#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 -8.40 -3.63 1.61 7.64 -1.26 -5.09 113.62 104.50 1wg6 n SER 2 Ca 0.00 1.16 -0.08 0.00 1.01 0.00 0.00 58.87 60.96 1wg6 n SER 2 Cb 0.00 -4.24 -0.06 0.00 -1.01 0.00 0.00 64.21 58.90 1wg6 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wg6 s SER 3 N -2.02 -0.35 0.00 6.43 0.01 -1.26 -5.17 113.70 111.34 1wg6 s SER 3 Ca 0.00 0.60 0.00 0.00 1.31 0.00 0.00 55.95 57.86 1wg6 s SER 3 Cb 0.00 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.82 1wg6 s SER 3 CO 0.00 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.09 1wg6 n GLY 4 N 1.70 2.58 3.63 3.44 0.00 -1.26 -5.18 105.19 110.10 1wg6 n GLY 4 Ca -0.11 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 -0.78 0.24 1.61 0.15 -1.26 -5.18 113.70 108.48 1wg6 s SER 5 Ca 0.00 1.44 -0.11 0.00 0.70 0.00 0.00 55.95 57.98 1wg6 s SER 5 Cb 0.00 1.43 -0.01 0.00 -1.71 0.00 0.00 66.02 65.73 1wg6 s SER 5 CO 0.00 -0.24 0.42 -0.44 1.20 0.00 0.00 173.24 174.18 1wg6 s SER 6 N 0.65 -0.06 0.00 5.45 0.01 -1.26 -5.13 113.70 113.36 1wg6 s SER 6 Ca -0.02 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.25 1wg6 s SER 6 Cb -0.05 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.73 1wg6 s SER 6 CO -0.04 -1.09 0.00 0.61 0.41 0.00 0.00 173.24 173.13 1wg6 n GLY 7 N -0.36 -0.40 2.10 3.44 0.00 -1.26 -5.10 105.19 103.61 1wg6 n GLY 7 Ca -0.01 0.59 -0.03 0.00 0.00 0.00 0.00 46.02 46.56 1wg6 n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wg6 n LEU 8 N 0.00 -4.34 -4.58 0.99 4.32 -1.26 -4.76 117.00 107.37 1wg6 n LEU 8 Ca 0.00 1.33 -0.32 0.00 -0.02 0.00 0.00 56.01 57.00 1wg6 n LEU 8 Cb 0.00 -2.29 -0.05 0.00 -1.62 0.00 0.00 43.42 39.46 1wg6 n LEU 8 CO 0.00 -2.27 1.63 -0.75 -1.22 0.00 0.00 177.39 174.78 1wg6 s LYS 9 N -0.84 2.87 0.42 3.23 2.20 -1.26 -4.83 119.74 121.54 1wg6 s LYS 9 Ca -0.16 -1.38 0.00 0.00 -0.36 0.00 0.00 55.97 54.07 1wg6 s LYS 9 Cb 0.01 -5.32 0.00 0.00 -1.51 0.00 0.00 37.83 31.01 1wg6 s LYS 9 CO 0.43 -3.55 0.00 0.41 -0.36 0.00 0.00 175.35 172.28 1wg6 n GLY 10 N 5.70 -1.13 3.50 5.54 0.00 -1.26 -5.00 105.19 112.54 1wg6 n GLY 10 Ca 0.46 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.48 1.01 -0.00 1.61 2.02 -1.26 -5.06 118.70 115.53 1wg6 s GLU 11 Ca 0.00 -0.06 -0.21 0.00 0.02 0.00 0.00 54.97 54.72 1wg6 s GLU 11 Cb 0.00 0.47 -0.22 0.00 0.10 0.00 0.00 34.13 34.48 1wg6 s GLU 11 CO 0.00 -0.38 1.12 -1.00 0.02 0.00 0.00 175.26 175.02 1wg6 h PRO 12 N 2.47 0.36 -3.67 0.39 0.13 -2.04 -3.50 132.00 126.14 1wg6 h PRO 12 Ca -0.27 -0.35 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1wg6 h PRO 12 Cb 1.21 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1wg6 h PRO 12 CO 0.36 1.02 -0.93 -0.25 -0.23 0.00 0.00 178.00 177.98 1wg6 n ASP 13 N -4.32 -8.43 0.00 1.44 9.92 -1.26 -5.08 116.55 108.82 1wg6 n ASP 13 Ca -0.09 1.52 0.00 0.00 -0.53 0.00 0.00 54.79 55.69 1wg6 n ASP 13 Cb 0.59 -4.86 0.00 0.00 -0.64 0.00 0.00 41.12 36.22 1wg6 n ASP 13 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wg6 s TYR 15 N -1.53 2.19 -1.11 0.00 1.51 -1.26 -5.03 117.35 112.12 1wg6 s TYR 15 Ca 0.00 -0.72 -0.22 0.00 -1.01 0.00 0.00 57.07 55.13 1wg6 s TYR 15 Cb 0.00 -1.91 0.01 0.00 -0.11 0.00 0.00 41.96 39.96 1wg6 s TYR 15 CO 0.00 -0.04 1.72 0.00 -1.11 0.00 0.00 175.55 176.12 1wg6 s ALA 16 N -2.69 2.54 0.09 3.71 0.00 -1.26 -4.90 121.76 119.25 1wg6 s ALA 16 Ca 0.34 -2.31 0.03 0.00 0.00 0.00 0.00 51.96 50.02 1wg6 s ALA 16 Cb 0.01 -4.60 -0.03 0.00 0.00 0.00 0.00 23.12 18.50 1wg6 s ALA 16 CO 0.19 -4.03 -0.09 -0.51 0.00 0.00 0.00 175.76 171.32 1wg6 s LEU 17 N 6.76 2.39 -0.48 0.00 1.43 -1.26 -5.10 118.68 122.42 1wg6 s LEU 17 Ca 0.57 -0.79 0.06 0.00 -1.03 0.00 0.00 54.13 52.94 1wg6 s LEU 17 Cb -0.00 -0.25 0.21 0.00 0.03 0.00 0.00 46.19 46.18 1wg6 s LEU 17 CO 0.01 -0.28 0.49 -1.20 0.23 0.00 0.00 176.35 175.61 1wg6 n SER 18 N 0.65 0.94 -3.94 2.29 7.64 -1.26 -5.08 113.62 114.86 1wg6 n SER 18 Ca -0.17 -2.78 -0.20 0.00 1.01 0.00 0.00 58.87 56.73 1wg6 n SER 18 Cb 0.57 -0.63 -0.16 0.00 -1.01 0.00 0.00 64.21 62.98 1wg6 n SER 18 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1wg6 s LEU 19 N -1.02 1.55 -0.07 -3.43 1.43 -1.26 -5.14 118.68 110.74 1wg6 s LEU 19 Ca 0.34 -0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 52.99 1wg6 s LEU 19 Cb 0.09 -0.49 0.11 0.00 0.03 0.00 0.00 46.19 45.94 1wg6 s LEU 19 CO -0.13 -0.00 0.91 -1.61 0.23 0.00 0.00 176.35 175.74 1wg6 s GLU 20 N 0.59 0.75 0.00 1.70 2.02 -1.26 -5.18 118.70 117.32 1wg6 s GLU 20 Ca -0.09 -0.07 0.00 0.00 0.02 0.00 0.00 54.97 54.83 1wg6 s GLU 20 Cb -0.12 0.35 0.00 0.00 0.10 0.00 0.00 34.13 34.46 1wg6 s GLU 20 CO 0.01 -0.29 0.00 0.45 0.02 0.00 0.00 175.26 175.45 1wg6 n SER 21 N 0.25 0.00 -4.17 -0.19 2.88 -1.26 -5.15 113.62 105.98 1wg6 n SER 21 Ca -0.10 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.09 1wg6 n SER 21 Cb 0.60 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 64.13 1wg6 n SER 21 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wg6 n SER 22 N 0.00 -4.43 -4.30 -3.46 3.41 -1.26 -4.64 113.62 98.93 1wg6 n SER 22 Ca 0.00 0.25 -0.31 0.00 -0.26 0.00 0.00 58.87 58.55 1wg6 n SER 22 Cb 0.00 -0.94 -0.16 0.00 -0.26 0.00 0.00 64.21 62.85 1wg6 n SER 22 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1wg6 s GLU 23 N -2.62 2.15 0.07 4.33 2.02 -0.57 -4.95 118.70 119.13 1wg6 s GLU 23 Ca 0.47 -0.92 0.07 0.00 0.02 0.00 0.00 54.97 54.61 1wg6 s GLU 23 Cb -0.20 -2.04 -0.03 0.00 0.10 0.00 0.00 34.13 31.96 1wg6 s GLU 23 CO 0.76 0.53 -0.20 -1.14 0.02 0.00 0.00 175.26 175.24 1wg6 s GLN 24 N -0.55 1.20 -0.06 1.61 0.74 -1.26 -1.11 119.66 120.23 1wg6 s GLN 24 Ca 0.08 -1.03 0.01 0.00 0.05 0.00 0.00 55.36 54.47 1wg6 s GLN 24 Cb -0.10 -1.37 0.02 0.00 1.10 0.00 0.00 33.01 32.65 1wg6 s GLN 24 CO -0.00 0.33 -0.07 -0.51 -0.55 0.00 0.00 175.29 174.49 1wg6 s LEU 25 N -1.54 1.36 -0.40 3.68 1.43 -0.90 -5.00 118.68 117.31 1wg6 s LEU 25 Ca 0.06 -0.19 -0.13 0.00 -1.03 0.00 0.00 54.13 52.84 1wg6 s LEU 25 Cb -0.09 -0.60 0.03 0.00 0.03 0.00 0.00 46.19 45.56 1wg6 s LEU 25 CO 0.03 -0.04 0.27 -0.89 0.23 0.00 0.00 176.35 175.94 1wg6 s THR 26 N 0.98 4.92 -0.12 5.49 2.01 -1.26 -2.31 115.64 125.35 1wg6 s THR 26 Ca -0.10 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.12 1wg6 s THR 26 Cb -0.14 -3.77 0.01 0.00 0.01 0.00 0.00 72.50 68.60 1wg6 s THR 26 CO 0.00 -0.31 -0.23 -0.76 -0.69 0.00 0.00 174.62 172.63 1wg6 s LEU 27 N 1.61 2.10 0.10 4.42 2.01 -0.92 -5.01 118.68 123.01 1wg6 s LEU 27 Ca 0.03 -0.59 0.01 0.00 0.01 0.00 0.00 54.13 53.60 1wg6 s LEU 27 Cb -0.20 -1.43 -0.04 0.00 0.01 0.00 0.00 46.19 44.53 1wg6 s LEU 27 CO 0.08 0.11 0.23 -1.61 1.01 0.00 0.00 176.35 176.18 1wg6 s GLU 28 N 0.61 3.39 -0.15 1.70 2.02 -1.26 0.26 118.70 125.27 1wg6 s GLU 28 Ca -0.12 -0.54 -0.04 0.00 0.02 0.00 0.00 54.97 54.29 1wg6 s GLU 28 Cb -0.17 -2.98 0.08 0.00 0.10 0.00 0.00 34.13 31.16 1wg6 s GLU 28 CO 0.03 0.57 0.25 0.42 0.02 0.00 0.00 175.26 176.54 1wg6 s ILE 29 N -1.61 -0.39 0.47 -1.63 1.01 0.15 -4.86 121.20 114.33 1wg6 s ILE 29 Ca 0.34 0.15 -0.21 0.00 0.00 0.00 0.00 60.65 60.94 1wg6 s ILE 29 Cb -0.12 -0.52 -0.09 0.00 0.01 0.00 0.00 42.46 41.74 1wg6 s ILE 29 CO 0.28 0.01 1.04 -2.16 0.00 0.00 0.00 174.94 174.11 1wg6 s PRO 30 N 2.39 3.86 -0.49 2.79 0.04 -1.26 0.80 135.00 143.13 1wg6 s PRO 30 Ca 0.04 1.39 0.08 0.00 0.04 0.00 0.00 61.00 62.55 1wg6 s PRO 30 Cb -0.13 -2.17 0.32 0.00 0.04 0.00 0.00 34.50 32.56 1wg6 s PRO 30 CO -0.10 -0.38 0.79 1.28 0.04 0.00 0.00 177.00 178.63 1wg6 n LEU 31 N -0.81 2.52 -0.05 -3.56 4.77 0.10 -4.74 117.00 115.22 1wg6 n LEU 31 Ca 0.09 -5.29 -0.03 0.00 -0.03 0.00 0.00 56.01 50.75 1wg6 n LEU 31 Cb 0.52 0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.65 1wg6 n LEU 31 CO 0.40 2.26 -0.24 0.78 -1.33 0.00 0.00 177.39 179.27 1wg6 h ASN 32 N 3.25 0.00 0.29 -1.43 2.35 -1.92 -3.18 115.58 114.94 1wg6 h ASN 32 Ca 0.12 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.54 1wg6 h ASN 32 Cb 0.74 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.06 1wg6 h ASN 32 CO 0.66 0.56 -1.94 -0.67 -1.65 0.00 0.00 177.43 174.38 1wg6 n ASP 33 N -4.05 1.08 0.07 5.81 2.03 -1.26 -4.10 116.55 116.12 1wg6 n ASP 33 Ca -0.05 0.26 -0.06 0.00 0.52 0.00 0.00 54.79 55.46 1wg6 n ASP 33 Cb 0.18 -0.08 -0.07 0.00 -0.72 0.00 0.00 41.12 40.43 1wg6 n ASP 33 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1wg6 h SER 34 N 0.02 0.02 -1.00 1.67 0.87 -1.85 -3.25 113.55 110.03 1wg6 h SER 34 Ca -0.38 -0.02 0.16 0.00 -1.23 0.00 0.00 61.79 60.32 1wg6 h SER 34 Cb 2.05 -0.01 -0.10 0.00 -0.44 0.00 0.00 62.40 63.91 1wg6 h SER 34 CO 0.06 0.95 0.62 1.23 -0.53 0.00 0.00 176.83 179.16 1wg6 h GLY 35 N 2.75 1.67 -0.78 5.77 0.00 -1.70 1.46 103.07 112.25 1wg6 h GLY 35 Ca -0.01 -0.37 0.18 0.00 0.00 0.00 0.00 47.33 47.12 1wg6 h GLY 35 CO 0.12 0.03 -0.21 1.48 0.00 0.00 0.00 176.54 177.96 1wg6 h SER 36 N 0.83 -0.81 0.03 0.19 4.64 -1.73 -2.51 113.55 114.20 1wg6 h SER 36 Ca 0.54 0.27 -0.35 0.00 -0.47 0.00 0.00 61.79 61.78 1wg6 h SER 36 Cb 0.76 0.55 -0.04 0.00 -0.31 0.00 0.00 62.40 63.35 1wg6 h SER 36 CO -0.32 -0.29 -1.98 0.00 -0.87 0.00 0.00 176.83 173.37 1wg6 n ALA 37 N -3.45 1.02 0.00 5.18 0.00 -0.48 -5.11 120.51 117.68 1wg6 n ALA 37 Ca 0.14 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1wg6 n ALA 37 Cb 0.46 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 1.69 0.16 0.00 0.00 0.00 0.49 -4.97 105.19 102.57 1wg6 n GLY 38 Ca -0.40 -1.77 -0.00 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.01 0.00 0.99 3.38 -1.88 -3.37 115.31 114.43 1wg6 h LEU 39 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wg6 h LEU 39 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1wg6 h LEU 39 CO 0.00 -0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1wg6 n GLY 40 N -1.00 1.16 3.12 0.83 0.00 -1.26 -4.34 105.19 103.69 1wg6 n GLY 40 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.00 0.10 -0.12 1.61 -7.23 -1.26 -4.05 120.40 107.45 1wg6 s VAL 41 Ca 0.00 -0.79 -0.10 0.00 -1.81 0.00 0.00 61.98 59.28 1wg6 s VAL 41 Cb 0.00 -0.58 -0.05 0.00 0.56 0.00 0.00 36.38 36.32 1wg6 s VAL 41 CO 0.00 -0.44 0.21 -0.55 -0.31 0.00 0.00 175.10 174.01 1wg6 s SER 42 N -1.61 6.44 0.54 4.85 0.15 -1.22 -5.01 113.70 117.83 1wg6 s SER 42 Ca -0.12 0.53 0.02 0.00 0.70 0.00 0.00 55.95 57.07 1wg6 s SER 42 Cb -0.06 -2.12 0.01 0.00 -1.71 0.00 0.00 66.02 62.15 1wg6 s SER 42 CO -0.00 0.32 0.12 -0.76 1.20 0.00 0.00 173.24 174.12 1wg6 s LEU 43 N -0.64 2.32 -0.15 3.45 1.43 -1.26 -0.31 118.68 123.51 1wg6 s LEU 43 Ca 0.16 -1.59 -0.13 0.00 -1.03 0.00 0.00 54.13 51.54 1wg6 s LEU 43 Cb -0.13 -0.82 0.04 0.00 0.03 0.00 0.00 46.19 45.32 1wg6 s LEU 43 CO 0.05 -0.99 0.40 -1.59 0.23 0.00 0.00 176.35 174.45 1wg6 s LYS 44 N -4.02 0.45 -0.16 1.70 -2.85 -0.20 -4.60 119.74 110.06 1wg6 s LYS 44 Ca 0.10 0.59 -0.07 0.00 -1.00 0.00 0.00 55.97 55.59 1wg6 s LYS 44 Cb -0.01 0.19 -0.04 0.00 -2.06 0.00 0.00 37.83 35.91 1wg6 s LYS 44 CO 0.06 -0.07 0.08 0.20 0.10 0.00 0.00 175.35 175.72 1wg6 s GLY 45 N 0.40 1.97 -0.06 0.59 0.00 -1.26 -1.95 107.32 107.01 1wg6 s GLY 45 Ca -0.02 -0.72 0.04 0.00 0.00 0.00 0.00 44.72 44.03 1wg6 s GLY 45 CO -0.02 -0.08 -0.18 -1.31 0.00 0.00 0.00 173.10 171.51 1wg6 s ASN 46 N -0.03 3.67 0.06 1.64 0.01 -1.17 -5.03 114.94 114.09 1wg6 s ASN 46 Ca 0.07 -0.32 0.06 0.00 -0.71 0.00 0.00 52.86 51.96 1wg6 s ASN 46 Cb -0.12 -0.86 -0.03 0.00 0.41 0.00 0.00 41.25 40.65 1wg6 s ASN 46 CO 0.01 0.30 -0.18 -0.75 -1.51 0.00 0.00 177.10 174.97 1wg6 s LYS 47 N -0.45 1.08 -0.18 -0.60 2.20 -1.26 -2.31 119.74 118.21 1wg6 s LYS 47 Ca 0.05 -0.94 -0.04 0.00 -0.36 0.00 0.00 55.97 54.68 1wg6 s LYS 47 Cb -0.12 -1.18 -0.02 0.00 -1.51 0.00 0.00 37.83 35.00 1wg6 s LYS 47 CO 0.02 0.29 -0.04 -1.12 -0.36 0.00 0.00 175.35 174.13 1wg6 s SER 48 N -1.45 4.55 -0.16 1.43 0.01 -0.18 -4.81 113.70 113.10 1wg6 s SER 48 Ca 0.04 -0.25 -0.20 0.00 1.31 0.00 0.00 55.95 56.85 1wg6 s SER 48 Cb -0.09 -1.76 -0.17 0.00 0.21 0.00 0.00 66.02 64.21 1wg6 s SER 48 CO 0.02 0.09 0.35 -0.09 0.41 0.00 0.00 173.24 174.01 1wg6 h ARG 49 N 7.32 0.00 -0.41 12.44 2.43 -1.95 -1.64 114.38 132.56 1wg6 h ARG 49 Ca -0.34 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 58.86 1wg6 h ARG 49 Cb 1.18 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.68 1wg6 h ARG 49 CO 0.60 0.73 -0.25 0.93 -1.51 0.00 0.00 179.97 180.47 1wg6 h GLU 50 N -1.00 -0.01 -0.47 0.20 5.08 -1.97 -0.40 114.58 116.02 1wg6 h GLU 50 Ca -0.12 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.10 1wg6 h GLU 50 Cb 0.90 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1wg6 h GLU 50 CO -0.07 -0.01 -0.24 1.79 -1.00 0.00 0.00 179.01 179.48 1wg6 h THR 51 N -0.01 1.27 -1.13 1.13 1.35 -2.01 -3.47 112.91 110.03 1wg6 h THR 51 Ca 0.07 -1.41 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 1wg6 h THR 51 Cb 0.18 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1wg6 h THR 51 CO -0.39 0.48 0.00 0.61 -0.25 0.00 0.00 175.52 175.97 1wg6 n GLY 52 N -0.08 0.66 3.25 5.82 0.00 -0.16 -5.09 105.19 109.58 1wg6 n GLY 52 Ca -0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.53 0.00 -0.59 2.61 2.01 -0.70 -5.01 115.64 111.44 1wg6 s THR 53 Ca 0.00 -1.94 -0.22 0.00 0.31 0.00 0.00 61.69 59.84 1wg6 s THR 53 Cb 0.00 -2.48 0.07 0.00 0.01 0.00 0.00 72.50 70.10 1wg6 s THR 53 CO 0.00 0.00 0.85 1.51 -0.69 0.00 0.00 174.62 176.29 1wg6 s ASP 54 N -3.17 6.23 0.39 3.53 -4.77 -1.26 -1.01 116.67 116.62 1wg6 s ASP 54 Ca 0.38 -0.88 0.23 0.00 -3.30 0.00 0.00 52.55 48.98 1wg6 s ASP 54 Cb 0.06 -2.38 1.31 0.00 -1.09 0.00 0.00 42.92 40.82 1wg6 s ASP 54 CO 0.13 -1.23 1.62 -0.07 0.70 0.00 0.00 175.17 176.32 1wg6 h LEU 55 N 10.72 0.34 0.00 2.11 3.38 -1.77 -3.46 115.31 126.63 1wg6 h LEU 55 Ca -0.28 0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1wg6 h LEU 55 Cb 1.08 0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1wg6 h LEU 55 CO 1.10 -0.24 0.00 0.61 0.09 0.00 0.00 178.44 180.00 1wg6 n GLY 56 N -1.38 0.70 3.69 0.83 0.00 -1.18 -5.02 105.19 102.83 1wg6 n GLY 56 Ca 0.36 -2.11 -0.31 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.25 4.11 0.04 -0.61 -1.09 -1.26 -3.06 121.20 118.09 1wg6 s ILE 57 Ca 0.00 -0.84 -0.04 0.00 -2.23 0.00 0.00 60.65 57.55 1wg6 s ILE 57 Cb 0.00 -2.92 -0.02 0.00 -1.58 0.00 0.00 42.46 37.94 1wg6 s ILE 57 CO 0.00 0.21 0.06 -0.36 -1.23 0.00 0.00 174.94 173.61 1wg6 s PHE 58 N -1.24 0.29 0.37 3.97 0.40 -0.82 0.44 117.98 121.38 1wg6 s PHE 58 Ca 0.24 -0.66 -0.22 0.00 -0.60 0.00 0.00 56.93 55.69 1wg6 s PHE 58 Cb -0.12 -0.21 -0.10 0.00 0.51 0.00 0.00 43.02 43.11 1wg6 s PHE 58 CO 0.16 -0.36 0.91 0.42 0.70 0.00 0.00 175.22 177.04 1wg6 s ILE 59 N -2.91 4.38 -0.23 0.64 1.01 -0.74 -1.03 121.20 122.32 1wg6 s ILE 59 Ca -0.02 1.52 -0.16 0.00 0.00 0.00 0.00 60.65 61.99 1wg6 s ILE 59 Cb 0.01 -3.75 -0.11 0.00 0.01 0.00 0.00 42.46 38.61 1wg6 s ILE 59 CO -0.06 -0.12 -0.23 1.17 0.00 0.00 0.00 174.94 175.70 1wg6 n LYS 60 N -0.13 0.56 -3.62 2.79 4.81 0.57 0.19 118.16 123.34 1wg6 n LYS 60 Ca 0.04 0.34 0.01 0.00 -0.87 0.00 0.00 58.31 57.83 1wg6 n LYS 60 Cb 0.52 -1.55 -0.01 0.00 0.02 0.00 0.00 35.03 34.02 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 -6.87 -0.07 -0.09 3.14 0.15 -0.93 -4.58 113.70 104.45 1wg6 s SER 61 Ca -0.33 -0.11 -0.00 0.00 0.70 0.00 0.00 55.95 56.21 1wg6 s SER 61 Cb 0.10 0.16 -0.03 0.00 -1.71 0.00 0.00 66.02 64.54 1wg6 s SER 61 CO 0.47 -0.29 -0.05 -0.63 1.20 0.00 0.00 173.24 173.94 1wg6 s ILE 62 N -2.42 3.81 -0.41 6.45 1.09 -1.26 -3.46 121.20 124.99 1wg6 s ILE 62 Ca 0.13 -0.43 -0.21 0.00 -1.10 0.00 0.00 60.65 59.05 1wg6 s ILE 62 Cb 0.04 -2.58 0.02 0.00 -1.06 0.00 0.00 42.46 38.87 1wg6 s ILE 62 CO -0.04 0.58 0.64 -0.63 -0.10 0.00 0.00 174.94 175.39 1wg6 s ILE 63 N -0.59 4.85 0.48 2.92 1.09 -1.26 -4.96 121.20 123.74 1wg6 s ILE 63 Ca 0.09 0.26 -0.21 0.00 -1.10 0.00 0.00 60.65 59.68 1wg6 s ILE 63 Cb -0.12 -4.16 -0.08 0.00 -1.06 0.00 0.00 42.46 37.05 1wg6 s ILE 63 CO 0.02 -0.50 1.09 -2.28 -0.10 0.00 0.00 174.94 173.17 1wg6 s HIS 64 N 2.78 2.94 0.00 3.97 5.65 -1.26 -3.26 115.29 126.11 1wg6 s HIS 64 Ca 0.23 1.57 0.00 0.00 0.25 0.00 0.00 55.06 57.11 1wg6 s HIS 64 Cb -0.14 -3.21 0.00 0.00 -1.18 0.00 0.00 32.58 28.05 1wg6 s HIS 64 CO 0.18 -1.14 0.00 0.41 -0.65 0.00 0.00 174.74 173.54 1wg6 n GLY 65 N 0.14 0.67 0.00 1.59 0.00 -1.26 -4.98 105.19 101.35 1wg6 n GLY 65 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.65 5.09 0.10 -0.02 0.00 -1.20 -5.04 105.19 101.47 1wg6 n GLY 66 Ca 0.00 -1.75 -0.21 0.00 0.00 0.00 0.00 46.02 44.06 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 0.79 -0.19 4.61 0.00 -1.26 -4.15 120.51 117.31 1wg6 n ALA 67 Ca 0.00 -0.54 0.10 0.00 0.00 0.00 0.00 53.44 53.01 1wg6 n ALA 67 Cb 0.00 -0.45 0.41 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.58 1.86 -0.85 0.00 0.00 -1.82 -1.84 119.26 116.03 1wg6 h ALA 68 Ca -0.35 -0.01 0.28 0.00 0.00 0.00 0.00 54.91 54.83 1wg6 h ALA 68 Cb 1.27 -0.13 -0.16 0.00 0.00 0.00 0.00 17.79 18.77 1wg6 h ALA 68 CO -0.21 -0.03 0.18 0.34 0.00 0.00 0.00 179.25 179.53 1wg6 n PHE 69 N -4.50 0.71 0.03 0.00 7.35 -1.20 0.18 117.46 120.03 1wg6 n PHE 69 Ca 0.13 1.02 -0.10 0.00 -0.76 0.00 0.00 57.45 57.73 1wg6 n PHE 69 Cb 0.37 -1.24 -0.04 0.00 0.35 0.00 0.00 39.48 38.92 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 -0.30 0.00 -4.13 1.57 -1.56 0.11 116.57 112.26 1wg6 h LYS 70 Ca 0.59 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.39 1wg6 h LYS 70 Cb 1.38 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.75 1wg6 h LYS 70 CO -0.75 -0.20 0.00 -3.47 -0.57 0.00 0.00 179.45 174.46 1wg6 n ASP 71 N -5.35 0.46 -0.61 0.86 2.03 0.45 -3.72 116.55 110.67 1wg6 n ASP 71 Ca -0.04 0.56 0.46 0.00 0.52 0.00 0.00 54.79 56.29 1wg6 n ASP 71 Cb 0.26 -0.68 0.71 0.00 -0.72 0.00 0.00 41.12 40.69 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 1.03 -0.85 0.64 0.27 0.00 0.48 0.18 105.19 106.95 1wg6 n GLY 72 Ca 0.05 0.60 0.48 0.00 0.00 0.00 0.00 46.02 47.16 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 -3.68 -0.00 -0.56 1.61 1.85 -1.24 -4.33 116.66 110.31 1wg6 n ARG 73 Ca 0.38 0.99 -0.30 0.00 -1.00 0.00 0.00 57.85 57.93 1wg6 n ARG 73 Cb 1.73 -2.28 0.27 0.00 -1.05 0.00 0.00 32.46 31.13 1wg6 n ARG 73 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1wg6 s LEU 74 N -7.57 -0.54 -0.10 2.89 1.43 0.13 -5.04 118.68 109.88 1wg6 s LEU 74 Ca -0.05 0.85 0.01 0.00 -1.03 0.00 0.00 54.13 53.91 1wg6 s LEU 74 Cb 0.25 -2.38 0.02 0.00 0.03 0.00 0.00 46.19 44.11 1wg6 s LEU 74 CO 0.81 -5.00 -0.10 -0.13 0.23 0.00 0.00 176.35 172.16 1wg6 s ARG 75 N -5.11 1.67 1.01 1.70 1.81 -1.26 -5.00 118.95 113.78 1wg6 s ARG 75 Ca 0.69 -0.35 -0.22 0.00 -1.72 0.00 0.00 55.73 54.13 1wg6 s ARG 75 Cb -0.13 -1.56 -0.12 0.00 -0.45 0.00 0.00 34.95 32.68 1wg6 s ARG 75 CO 0.58 -0.14 -0.97 0.00 -0.68 0.00 0.00 175.30 174.09 1wg6 n MET 76 N 4.46 -0.25 -0.77 3.54 0.00 -1.26 -3.06 117.12 119.79 1wg6 n MET 76 Ca -0.17 -0.07 0.00 0.00 0.00 0.00 0.00 57.70 57.46 1wg6 n MET 76 Cb 0.51 -1.16 0.00 0.00 0.00 0.00 0.00 33.22 32.56 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 2.41 0.00 -4.63 3.17 3.02 0.49 -4.86 115.26 114.86 1wg6 n ASN 77 Ca -0.01 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.11 1wg6 n ASN 77 Cb 0.66 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.81 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 -3.05 6.03 0.00 6.41 1.01 -1.17 -4.46 116.67 121.44 1wg6 s ASP 78 Ca 0.00 2.03 -0.30 0.00 0.71 0.00 0.00 52.55 54.99 1wg6 s ASP 78 Cb 0.00 -2.52 -0.06 0.00 1.01 0.00 0.00 42.92 41.35 1wg6 s ASP 78 CO 0.00 -1.48 1.50 -1.58 0.21 0.00 0.00 175.17 173.82 1wg6 s GLN 79 N 5.28 4.24 -0.33 8.23 0.74 -1.26 -1.79 119.66 134.77 1wg6 s GLN 79 Ca 0.88 2.08 -0.26 0.00 0.05 0.00 0.00 55.36 58.11 1wg6 s GLN 79 Cb -0.33 -3.65 0.01 0.00 1.10 0.00 0.00 33.01 30.14 1wg6 s GLN 79 CO 0.35 -0.66 0.93 -0.51 -0.55 0.00 0.00 175.29 174.85 1wg6 s LEU 80 N 2.75 4.01 -0.21 3.68 1.02 0.17 -3.47 118.68 126.63 1wg6 s LEU 80 Ca 0.67 0.79 -0.04 0.00 0.02 0.00 0.00 54.13 55.57 1wg6 s LEU 80 Cb -0.33 -3.30 -0.11 0.00 0.02 0.00 0.00 46.19 42.46 1wg6 s LEU 80 CO 0.28 -0.78 -0.22 2.30 0.02 0.00 0.00 176.35 177.94 1wg6 n ILE 81 N 5.77 1.17 -3.76 -0.59 -5.35 -0.95 -4.33 119.36 111.32 1wg6 n ILE 81 Ca 0.08 -0.38 -0.13 0.00 -0.27 0.00 0.00 62.75 62.06 1wg6 n ILE 81 Cb 0.48 -1.48 -0.12 0.00 -1.74 0.00 0.00 39.64 36.77 1wg6 n ILE 81 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wg6 s ALA 82 N -2.40 -0.55 -0.12 -1.28 0.00 -1.24 -1.15 121.76 115.01 1wg6 s ALA 82 Ca -0.29 0.80 0.03 0.00 0.00 0.00 0.00 51.96 52.51 1wg6 s ALA 82 Cb 0.09 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.73 1wg6 s ALA 82 CO 0.43 -0.15 -0.22 0.54 0.00 0.00 0.00 175.76 176.36 1wg6 s VAL 83 N 0.67 1.98 -0.74 0.00 0.11 0.12 -0.60 120.40 121.94 1wg6 s VAL 83 Ca -0.05 -0.94 -0.03 0.00 -2.93 0.00 0.00 61.98 58.03 1wg6 s VAL 83 Cb -0.06 -1.74 0.02 0.00 -1.53 0.00 0.00 36.38 33.07 1wg6 s VAL 83 CO -0.04 0.54 0.11 -0.46 -3.33 0.00 0.00 175.10 171.92 1wg6 n ASN 84 N 3.93 -2.68 0.00 3.54 0.23 -0.55 0.27 115.26 120.00 1wg6 n ASN 84 Ca -0.20 0.14 0.00 0.00 -0.53 0.00 0.00 54.58 53.99 1wg6 n ASN 84 Cb 0.52 -2.32 0.00 0.00 -2.08 0.00 0.00 39.78 35.90 1wg6 n ASN 84 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1wg6 n GLY 85 N -0.77 2.94 3.69 4.83 0.00 -1.26 -4.91 105.19 109.71 1wg6 n GLY 85 Ca -0.06 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.52 1wg6 n GLY 85 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wg6 n GLU 86 N -0.23 2.31 -2.88 1.61 0.00 0.77 -4.93 120.64 117.28 1wg6 n GLU 86 Ca 0.00 0.83 -0.41 0.00 0.00 0.00 0.00 57.16 57.58 1wg6 n GLU 86 Cb 0.00 -2.60 -0.04 0.00 0.00 0.00 0.00 31.44 28.80 1wg6 n GLU 86 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 1wg6 s THR 87 N 0.73 4.83 -0.04 6.31 -1.32 -1.26 0.10 115.64 124.99 1wg6 s THR 87 Ca 0.75 1.77 0.09 0.00 -1.21 0.00 0.00 61.69 63.09 1wg6 s THR 87 Cb -0.62 -4.18 -0.13 0.00 -1.51 0.00 0.00 72.50 66.05 1wg6 s THR 87 CO 0.39 0.27 0.14 0.18 -2.21 0.00 0.00 174.62 173.39 1wg6 n LEU 88 N 3.40 0.00 0.01 9.08 4.77 -0.30 -4.49 117.00 129.46 1wg6 n LEU 88 Ca 0.01 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.95 1wg6 n LEU 88 Cb 0.51 0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.66 1wg6 n LEU 88 CO 0.49 0.09 0.50 -0.07 -1.33 0.00 0.00 177.39 177.07 1wg6 h LEU 89 N 0.00 -0.41 -1.79 2.23 3.38 -1.83 0.15 115.31 117.05 1wg6 h LEU 89 Ca -0.10 0.05 0.25 0.00 0.09 0.00 0.00 57.88 58.17 1wg6 h LEU 89 Cb 0.88 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.74 1wg6 h LEU 89 CO 0.01 -0.12 0.65 1.23 0.09 0.00 0.00 178.44 180.29 1wg6 h GLY 90 N -0.15 0.39 -0.86 0.83 0.00 -1.92 -3.41 103.07 97.95 1wg6 h GLY 90 Ca 0.01 -0.08 -0.44 0.00 0.00 0.00 0.00 47.33 46.82 1wg6 h GLY 90 CO -0.10 -0.02 0.43 0.54 0.00 0.00 0.00 176.54 177.39 1wg6 s LYS 91 N -5.16 0.44 0.40 4.80 1.02 0.04 -5.10 119.74 116.18 1wg6 s LYS 91 Ca -0.06 -0.49 0.01 0.00 0.02 0.00 0.00 55.97 55.44 1wg6 s LYS 91 Cb 0.22 -1.83 0.01 0.00 -0.52 0.00 0.00 37.83 35.71 1wg6 s LYS 91 CO 0.78 -2.54 0.07 0.43 -0.92 0.00 0.00 175.35 173.17 1wg6 n SER 92 N -3.83 2.95 -0.12 2.83 7.64 -1.26 -4.84 113.62 116.98 1wg6 n SER 92 Ca 0.16 -2.68 -0.05 0.00 1.01 0.00 0.00 58.87 57.32 1wg6 n SER 92 Cb 0.59 0.21 0.03 0.00 -1.01 0.00 0.00 64.21 64.03 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 0.86 -0.14 0.00 6.43 4.21 -1.88 0.68 115.58 125.74 1wg6 h ASN 93 Ca -0.32 0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.28 1wg6 h ASN 93 Cb 0.99 0.15 0.00 0.00 -1.12 0.00 0.00 38.32 38.35 1wg6 h ASN 93 CO 0.52 -0.04 0.00 1.57 -1.29 0.00 0.00 177.43 178.20 1wg6 n HIS 94 N -5.18 0.00 -0.30 1.19 -0.00 -1.26 -1.57 115.22 108.10 1wg6 n HIS 94 Ca 0.03 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.12 1wg6 n HIS 94 Cb 0.20 -0.31 -0.08 0.00 -0.12 0.00 0.00 29.99 29.68 1wg6 n HIS 94 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 1wg6 h GLU 95 N 0.00 -0.04 0.00 1.57 5.08 -1.94 0.44 114.58 119.69 1wg6 h GLU 95 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wg6 h GLU 95 Cb 0.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1wg6 h GLU 95 CO 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 179.01 177.98 1wg6 n ALA 96 N -3.17 0.00 -0.33 3.43 0.00 0.24 0.14 120.51 120.81 1wg6 n ALA 96 Ca 0.01 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.70 1wg6 n ALA 96 Cb 0.21 0.46 0.54 0.00 0.00 0.00 0.00 19.45 20.66 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 0.32 -0.04 0.00 2.86 -0.29 1.20 114.93 118.98 1wg6 h MET 97 Ca 0.00 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 1wg6 h MET 97 Cb 0.00 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 1wg6 h MET 97 CO 0.00 0.21 -0.40 1.05 1.06 0.00 0.00 176.91 178.83 1wg6 h GLU 98 N 0.33 0.09 -0.17 1.72 -0.00 0.58 -2.89 114.58 114.23 1wg6 h GLU 98 Ca 0.61 -0.04 -0.19 0.00 -0.00 0.00 0.00 59.36 59.74 1wg6 h GLU 98 Cb 1.67 -0.00 0.01 0.00 -0.00 0.00 0.00 28.75 30.43 1wg6 h GLU 98 CO -0.29 0.48 -0.64 1.15 -0.00 0.00 0.00 179.01 179.71 1wg6 h THR 99 N 0.08 1.30 0.00 -1.06 2.02 0.93 -2.96 112.91 113.22 1wg6 h THR 99 Ca 0.01 -1.86 0.00 0.00 0.77 0.00 0.00 66.41 65.33 1wg6 h THR 99 Cb 0.74 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 1wg6 h THR 99 CO 0.06 0.59 0.00 -0.11 0.37 0.00 0.00 175.52 176.42 1wg6 n LEU 100 N -4.04 0.00 -0.40 2.58 7.94 -0.40 0.71 117.00 123.39 1wg6 n LEU 100 Ca -0.07 0.82 0.33 0.00 -1.11 0.00 0.00 56.01 55.98 1wg6 n LEU 100 Cb 0.67 -0.32 0.61 0.00 0.53 0.00 0.00 43.42 44.91 1wg6 n LEU 100 CO 0.50 -0.32 1.18 0.08 -1.11 0.00 0.00 177.39 177.73 1wg6 h ARG 101 N 0.00 0.11 0.79 1.96 0.11 -1.67 0.95 114.38 116.63 1wg6 h ARG 101 Ca 0.00 -0.01 -0.04 0.00 0.10 0.00 0.00 59.98 60.03 1wg6 h ARG 101 Cb 0.00 -0.02 0.01 0.00 1.11 0.00 0.00 29.97 31.06 1wg6 h ARG 101 CO 0.00 0.07 -0.38 -0.09 0.10 0.00 0.00 179.97 179.68 1wg6 h ARG 102 N 0.11 -1.02 -0.64 0.08 2.43 -1.04 -2.33 114.38 111.99 1wg6 h ARG 102 Ca 0.81 0.07 0.03 0.00 -0.81 0.00 0.00 59.98 60.08 1wg6 h ARG 102 Cb 2.34 0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 32.09 1wg6 h ARG 102 CO -0.52 -0.68 0.42 0.77 -1.51 0.00 0.00 179.97 178.45 1wg6 h SER 103 N -1.20 0.65 -0.48 -3.80 0.02 0.34 0.51 113.55 109.60 1wg6 h SER 103 Ca -0.11 -0.01 0.09 0.00 -0.84 0.00 0.00 61.79 60.93 1wg6 h SER 103 Cb 0.81 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.17 1wg6 h SER 103 CO 0.18 0.45 0.33 0.24 -1.14 0.00 0.00 176.83 176.89 1wg6 h MET 104 N 0.76 0.23 0.00 3.45 2.86 0.90 1.96 114.93 125.09 1wg6 h MET 104 Ca 0.25 -0.01 -0.20 0.00 -2.06 0.00 0.00 59.70 57.68 1wg6 h MET 104 Cb 0.07 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 1wg6 h MET 104 CO -0.07 0.15 -1.97 0.43 1.06 0.00 0.00 176.91 176.52 1wg6 n SER 105 N -4.46 0.27 -0.02 1.22 7.64 -0.20 -3.77 113.62 114.29 1wg6 n SER 105 Ca 0.07 0.12 -0.01 0.00 1.01 0.00 0.00 58.87 60.06 1wg6 n SER 105 Cb 0.38 1.04 -0.00 0.00 -1.01 0.00 0.00 64.21 64.62 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 0.00 0.00 1.43 -1.53 0.12 -3.11 114.93 111.83 1wg6 h MET 106 Ca -0.26 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.00 1wg6 h MET 106 Cb 1.67 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.72 1wg6 h MET 106 CO 0.03 0.00 0.24 0.93 0.14 0.00 0.00 176.91 178.25 1wg6 h GLU 107 N -0.34 0.00 -0.01 0.39 4.39 0.29 1.45 114.58 120.75 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 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1wg6 h GLU 107 CO 0.00 0.00 -0.49 0.41 -1.16 0.00 0.00 179.01 177.77 1wg6 n GLY 108 N -1.23 -0.72 0.09 -3.84 0.00 -1.11 0.12 105.19 98.49 1wg6 n GLY 108 Ca -0.02 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 1wg6 n GLY 108 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wg6 n ASN 109 N -0.89 1.86 0.07 1.61 3.02 0.49 -3.10 115.26 118.32 1wg6 n ASN 109 Ca 0.08 0.51 -0.21 0.00 -0.03 0.00 0.00 54.58 54.93 1wg6 n ASN 109 Cb 0.37 -0.85 -0.12 0.00 -0.61 0.00 0.00 39.78 38.56 1wg6 n ASN 109 CO 0.00 0.00 0.00 0.16 -2.62 0.00 0.00 177.26 174.80 1wg6 h ILE 110 N -1.00 1.28 0.00 2.41 -2.65 -1.58 -3.41 117.51 112.57 1wg6 h ILE 110 Ca -0.11 -2.37 0.00 0.00 1.03 0.00 0.00 64.86 63.41 1wg6 h ILE 110 Cb 0.83 2.56 0.00 0.00 -2.05 0.00 0.00 36.82 38.16 1wg6 h ILE 110 CO -0.07 0.73 0.00 -1.14 0.03 0.00 0.00 178.15 177.70 1wg6 n ARG 111 N -3.82 0.00 0.00 0.16 3.00 -0.86 -5.05 116.66 110.10 1wg6 n ARG 111 Ca -0.12 0.09 0.00 0.00 -0.00 0.00 0.00 57.85 57.81 1wg6 n ARG 111 Cb 0.94 -0.50 0.00 0.00 0.00 0.00 0.00 32.46 32.90 1wg6 n ARG 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wg6 n GLY 112 N 1.81 1.88 3.79 5.14 0.00 0.32 -4.90 105.19 113.24 1wg6 n GLY 112 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.00 2.25 -0.20 1.61 0.23 -1.07 0.02 119.30 122.13 1wg6 s MET 113 Ca 0.00 -1.47 -0.18 0.00 -1.03 0.00 0.00 55.69 53.01 1wg6 s MET 113 Cb 0.00 0.62 0.05 0.00 -1.53 0.00 0.00 34.83 33.97 1wg6 s MET 113 CO 0.00 -1.05 0.52 -1.50 -2.03 0.00 0.00 175.02 170.96 1wg6 s ILE 114 N -2.27 -0.00 0.25 3.16 2.07 0.24 -3.84 121.20 120.81 1wg6 s ILE 114 Ca 0.16 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.47 1wg6 s ILE 114 Cb -0.05 -0.73 -0.03 0.00 0.13 0.00 0.00 42.46 41.77 1wg6 s ILE 114 CO 0.12 0.00 0.22 -1.58 -1.91 0.00 0.00 174.94 171.79 1wg6 s GLN 115 N 0.31 2.97 -0.08 3.50 0.74 -1.26 0.29 119.66 126.12 1wg6 s GLN 115 Ca -0.00 -1.04 -0.01 0.00 0.05 0.00 0.00 55.36 54.36 1wg6 s GLN 115 Cb -0.04 -2.59 0.03 0.00 1.10 0.00 0.00 33.01 31.51 1wg6 s GLN 115 CO 0.00 0.39 -0.03 -0.51 -0.55 0.00 0.00 175.29 174.60 1wg6 s LEU 116 N -3.86 0.85 -0.30 3.68 1.43 0.14 -1.48 118.68 119.14 1wg6 s LEU 116 Ca 0.33 -0.16 -0.09 0.00 -1.03 0.00 0.00 54.13 53.18 1wg6 s LEU 116 Cb -0.08 -0.57 -0.01 0.00 0.03 0.00 0.00 46.19 45.56 1wg6 s LEU 116 CO 0.25 -0.16 0.14 -0.69 0.23 0.00 0.00 176.35 176.13 1wg6 s VAL 117 N 1.78 4.58 0.19 -1.59 1.01 0.23 -2.15 120.40 124.44 1wg6 s VAL 117 Ca 0.03 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 61.73 1wg6 s VAL 117 Cb -0.13 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 1wg6 s VAL 117 CO -0.06 0.13 0.12 0.27 0.00 0.00 0.00 175.10 175.56 1wg6 s ILE 118 N 1.62 4.30 -0.11 2.22 -5.25 -0.98 -2.25 121.20 120.75 1wg6 s ILE 118 Ca 0.05 -1.23 -0.04 0.00 -0.99 0.00 0.00 60.65 58.43 1wg6 s ILE 118 Cb -0.17 -3.22 0.06 0.00 2.95 0.00 0.00 42.46 42.08 1wg6 s ILE 118 CO 0.06 -0.16 0.23 -0.22 -1.79 0.00 0.00 174.94 173.05 1wg6 s LEU 119 N -3.23 -0.12 0.12 0.37 1.98 -1.23 -2.13 118.68 114.45 1wg6 s LEU 119 Ca 0.31 0.50 0.10 0.00 -2.89 0.00 0.00 54.13 52.15 1wg6 s LEU 119 Cb -0.09 0.57 -0.04 0.00 0.66 0.00 0.00 46.19 47.29 1wg6 s LEU 119 CO 0.23 -0.23 -0.26 -0.60 -1.89 0.00 0.00 176.35 173.60 1wg6 s ARG 120 N 2.21 1.37 1.24 1.98 3.52 -0.27 -4.54 118.95 124.47 1wg6 s ARG 120 Ca 0.00 -1.30 -0.16 0.00 -0.13 0.00 0.00 55.73 54.14 1wg6 s ARG 120 Cb -0.12 -1.81 0.28 0.00 -1.56 0.00 0.00 34.95 31.74 1wg6 s ARG 120 CO -0.08 0.43 0.77 2.89 -0.81 0.00 0.00 175.30 178.51 1wg6 n ARG 121 N 0.99 -2.98 0.02 5.12 0.00 -1.26 -1.51 116.66 117.04 1wg6 n ARG 121 Ca -0.18 -0.86 -0.14 0.00 -0.00 0.00 0.00 57.85 56.67 1wg6 n ARG 121 Cb 0.53 -1.99 -0.09 0.00 -0.00 0.00 0.00 32.46 30.91 1wg6 n ARG 121 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 1wg6 h SER 122 N -2.85 -1.51 0.00 2.89 0.02 -1.93 -3.40 113.55 106.77 1wg6 h SER 122 Ca -0.55 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1wg6 h SER 122 Cb 1.31 0.58 0.00 0.00 0.14 0.00 0.00 62.40 64.43 1wg6 h SER 122 CO 0.41 -0.45 0.00 0.61 -1.14 0.00 0.00 176.83 176.26 1wg6 n GLY 123 N -1.40 1.00 2.96 -3.77 0.00 -1.26 -4.92 105.19 97.80 1wg6 n GLY 123 Ca -0.06 0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 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 2.16 -3.02 1.61 -0.04 -1.26 -4.57 135.00 129.88 1wg6 n PRO 124 Ca 0.00 -2.24 -0.00 0.00 -0.04 0.00 0.00 63.50 61.21 1wg6 n PRO 124 Cb 0.00 -3.12 -0.00 0.00 -0.04 0.00 0.00 33.50 30.33 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 7.09 -6.87 -0.06 3.54 7.64 -1.26 -4.96 113.62 118.73 1wg6 n SER 125 Ca 0.51 0.78 -0.04 0.00 1.01 0.00 0.00 58.87 61.13 1wg6 n SER 125 Cb 0.40 -2.83 -0.02 0.00 -1.01 0.00 0.00 64.21 60.76 1wg6 n SER 125 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1wg6 h SER 126 N 3.55 0.00 0.00 6.43 0.87 -1.97 -3.52 113.55 118.91 1wg6 h SER 126 Ca -0.02 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1wg6 h SER 126 Cb 0.65 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1wg6 h SER 126 CO 0.03 0.69 0.00 0.61 -0.53 0.00 0.00 176.83 177.63