#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 -5.86 -3.74 1.61 2.88 -1.26 -5.08 113.62 102.18 1wg6 n SER 2 Ca 0.00 1.29 -0.09 0.00 -1.33 0.00 0.00 58.87 58.74 1wg6 n SER 2 Cb 0.00 -3.24 -0.03 0.00 -0.75 0.00 0.00 64.21 60.19 1wg6 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wg6 s SER 3 N -4.77 -0.30 0.00 -3.46 0.01 -1.26 -5.18 113.70 98.74 1wg6 s SER 3 Ca 0.00 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.79 1wg6 s SER 3 Cb 0.00 0.63 0.00 0.00 0.21 0.00 0.00 66.02 66.86 1wg6 s SER 3 CO 0.00 -1.14 0.00 0.61 0.41 0.00 0.00 173.24 173.12 1wg6 n GLY 4 N -0.39 0.46 3.14 3.44 0.00 -1.26 -5.18 105.19 105.40 1wg6 n GLY 4 Ca -0.09 -1.05 -0.08 0.00 0.00 0.00 0.00 46.02 44.80 1wg6 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wg6 s SER 5 N 0.00 0.35 0.14 1.61 0.01 -1.26 -5.06 113.70 109.49 1wg6 s SER 5 Ca 0.00 -0.92 -0.30 0.00 1.31 0.00 0.00 55.95 56.03 1wg6 s SER 5 Cb 0.00 0.26 -0.06 0.00 0.21 0.00 0.00 66.02 66.43 1wg6 s SER 5 CO 0.00 -0.66 1.56 0.28 0.41 0.00 0.00 173.24 174.83 1wg6 h SER 6 N 2.98 -1.65 -6.06 2.44 0.02 -2.04 -3.46 113.55 105.78 1wg6 h SER 6 Ca -0.34 0.23 -0.31 0.00 -0.84 0.00 0.00 61.79 60.53 1wg6 h SER 6 Cb 1.17 0.69 0.04 0.00 0.14 0.00 0.00 62.40 64.44 1wg6 h SER 6 CO 0.62 -0.40 -0.69 0.61 -1.14 0.00 0.00 176.83 175.83 1wg6 n GLY 7 N -1.40 -1.16 0.05 -3.77 0.00 -1.26 -4.96 105.19 92.69 1wg6 n GLY 7 Ca -0.03 0.51 -0.03 0.00 0.00 0.00 0.00 46.02 46.48 1wg6 n GLY 7 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wg6 h LEU 8 N -0.71 0.00 -7.80 0.99 3.38 -2.08 -3.48 115.31 105.61 1wg6 h LEU 8 Ca -0.45 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.24 1wg6 h LEU 8 Cb 1.26 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.72 1wg6 h LEU 8 CO 0.39 0.52 -0.74 -0.54 0.09 0.00 0.00 178.44 178.17 1wg6 s LYS 9 N -1.81 0.22 -0.42 1.13 1.02 -1.26 -5.09 119.74 113.53 1wg6 s LYS 9 Ca -0.08 -0.08 0.06 0.00 0.02 0.00 0.00 55.97 55.89 1wg6 s LYS 9 Cb 0.01 -0.23 0.21 0.00 -0.52 0.00 0.00 37.83 37.30 1wg6 s LYS 9 CO 0.12 0.04 0.44 0.41 -0.92 0.00 0.00 175.35 175.45 1wg6 n GLY 10 N 3.11 2.60 3.40 -3.33 0.00 -1.26 -5.11 105.19 104.60 1wg6 n GLY 10 Ca -0.14 -1.51 -0.26 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.65 1.46 0.11 1.61 8.01 -1.26 -5.04 118.70 122.94 1wg6 s GLU 11 Ca 0.34 -1.48 -0.08 0.00 0.01 0.00 0.00 54.97 53.76 1wg6 s GLU 11 Cb 0.10 -1.76 -0.13 0.00 -4.31 0.00 0.00 34.13 28.03 1wg6 s GLU 11 CO -0.15 0.38 1.29 -1.00 0.01 0.00 0.00 175.26 175.79 1wg6 h PRO 12 N 3.31 0.58 0.00 0.39 0.13 -2.06 -3.47 132.00 130.88 1wg6 h PRO 12 Ca -0.46 -0.57 0.00 0.00 -0.87 0.00 0.00 66.00 64.10 1wg6 h PRO 12 Cb 1.20 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1wg6 h PRO 12 CO 0.47 1.19 0.00 -3.47 -0.23 0.00 0.00 178.00 175.96 1wg6 n ASP 13 N -3.83 -0.51 0.00 1.44 2.03 -1.26 -5.14 116.55 109.28 1wg6 n ASP 13 Ca -0.08 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.48 1wg6 n ASP 13 Cb 0.81 0.70 0.00 0.00 -0.72 0.00 0.00 41.12 41.91 1wg6 n ASP 13 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wg6 s TYR 15 N -0.78 3.68 -0.24 0.00 6.14 -1.26 -5.07 117.35 119.82 1wg6 s TYR 15 Ca 0.00 0.97 -0.27 0.00 0.64 0.00 0.00 57.07 58.41 1wg6 s TYR 15 Cb 0.00 -2.28 0.13 0.00 0.42 0.00 0.00 41.96 40.23 1wg6 s TYR 15 CO 0.00 0.58 1.05 0.00 0.64 0.00 0.00 175.55 177.82 1wg6 s ALA 16 N -1.21 -1.97 0.00 3.97 0.00 -1.26 -5.15 121.76 116.14 1wg6 s ALA 16 Ca 0.28 1.76 0.00 0.00 0.00 0.00 0.00 51.96 54.00 1wg6 s ALA 16 Cb -0.16 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.77 1wg6 s ALA 16 CO 0.16 -0.25 0.00 1.28 0.00 0.00 0.00 175.76 176.94 1wg6 n LEU 17 N 1.60 0.00 -4.06 0.00 4.77 -1.26 -5.06 117.00 113.00 1wg6 n LEU 17 Ca -0.11 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.50 1wg6 n LEU 17 Cb 0.57 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.71 1wg6 n LEU 17 CO 0.07 0.00 -1.38 -1.20 -1.33 0.00 0.00 177.39 173.55 1wg6 n SER 18 N 0.00 -4.50 -0.02 -1.43 7.64 -1.26 -4.95 113.62 109.10 1wg6 n SER 18 Ca 0.00 0.13 -0.01 0.00 1.01 0.00 0.00 58.87 60.00 1wg6 n SER 18 Cb 0.00 -0.75 -0.00 0.00 -1.01 0.00 0.00 64.21 62.45 1wg6 n SER 18 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1wg6 h LEU 19 N -1.13 0.00 -9.60 -3.43 5.85 -2.07 -3.46 115.31 101.48 1wg6 h LEU 19 Ca -0.43 0.00 -0.52 0.00 0.84 0.00 0.00 57.88 57.77 1wg6 h LEU 19 Cb 1.33 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 1wg6 h LEU 19 CO 0.25 0.16 0.34 -0.70 -0.34 0.00 0.00 178.44 178.15 1wg6 s GLU 20 N -1.22 4.70 -0.10 1.25 2.12 -1.26 -5.04 118.70 119.15 1wg6 s GLU 20 Ca -0.02 1.42 -0.20 0.00 0.36 0.00 0.00 54.97 56.54 1wg6 s GLU 20 Cb 0.00 -3.36 0.05 0.00 0.26 0.00 0.00 34.13 31.08 1wg6 s GLU 20 CO 0.03 0.27 0.48 0.45 -0.54 0.00 0.00 175.26 175.95 1wg6 s SER 21 N -0.21 -0.45 0.78 -1.70 0.15 -1.26 -5.15 113.70 105.86 1wg6 s SER 21 Ca 0.45 0.64 -0.04 0.00 0.70 0.00 0.00 55.95 57.70 1wg6 s SER 21 Cb -0.23 0.68 0.11 0.00 -1.71 0.00 0.00 66.02 64.86 1wg6 s SER 21 CO 0.30 -0.36 0.68 -1.20 1.20 0.00 0.00 173.24 173.85 1wg6 n SER 22 N 1.87 0.47 -4.59 5.45 7.64 -1.26 -5.02 113.62 118.17 1wg6 n SER 22 Ca -0.17 -1.50 -0.37 0.00 1.01 0.00 0.00 58.87 57.83 1wg6 n SER 22 Cb 0.56 -0.48 -0.11 0.00 -1.01 0.00 0.00 64.21 63.18 1wg6 n SER 22 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1wg6 s GLU 23 N -4.32 3.94 0.05 1.43 0.41 -0.72 -5.00 118.70 114.50 1wg6 s GLU 23 Ca 0.42 -0.33 0.07 0.00 -0.41 0.00 0.00 54.97 54.72 1wg6 s GLU 23 Cb -0.02 -3.59 -0.03 0.00 -1.78 0.00 0.00 34.13 28.72 1wg6 s GLU 23 CO 0.28 -0.12 -0.19 -1.14 -0.49 0.00 0.00 175.26 173.60 1wg6 s GLN 24 N 1.58 1.24 -0.00 1.61 0.74 -1.26 -0.43 119.66 123.14 1wg6 s GLN 24 Ca 0.07 -0.95 -0.00 0.00 0.05 0.00 0.00 55.36 54.53 1wg6 s GLN 24 Cb -0.15 -1.36 -0.00 0.00 1.10 0.00 0.00 33.01 32.59 1wg6 s GLN 24 CO 0.09 0.34 0.01 -0.51 -0.55 0.00 0.00 175.29 174.66 1wg6 s LEU 25 N -1.31 1.99 -0.22 3.68 1.43 -1.16 -5.02 118.68 118.07 1wg6 s LEU 25 Ca 0.06 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 1wg6 s LEU 25 Cb -0.09 0.04 0.05 0.00 0.03 0.00 0.00 46.19 46.22 1wg6 s LEU 25 CO 0.02 -0.03 -0.11 -0.89 0.23 0.00 0.00 176.35 175.57 1wg6 s THR 26 N -0.12 1.81 -0.04 5.49 2.01 -1.26 -2.65 115.64 120.88 1wg6 s THR 26 Ca -0.01 -1.19 0.02 0.00 0.31 0.00 0.00 61.69 60.81 1wg6 s THR 26 Cb -0.01 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 1wg6 s THR 26 CO -0.00 0.12 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.23 1wg6 s LEU 27 N 1.31 3.19 -0.17 4.42 2.01 -1.19 -4.98 118.68 123.26 1wg6 s LEU 27 Ca -0.03 -0.07 -0.03 0.00 0.01 0.00 0.00 54.13 54.01 1wg6 s LEU 27 Cb -0.17 -1.76 -0.02 0.00 0.01 0.00 0.00 46.19 44.25 1wg6 s LEU 27 CO -0.08 0.33 -0.06 -1.61 1.01 0.00 0.00 176.35 175.94 1wg6 s GLU 28 N -1.10 3.50 -0.14 1.70 0.41 -1.26 -2.40 118.70 119.40 1wg6 s GLU 28 Ca 0.15 -0.60 0.01 0.00 -0.41 0.00 0.00 54.97 54.12 1wg6 s GLU 28 Cb -0.11 -2.88 0.02 0.00 -1.78 0.00 0.00 34.13 29.38 1wg6 s GLU 28 CO 0.04 0.08 -0.17 0.42 -0.49 0.00 0.00 175.26 175.15 1wg6 s ILE 29 N 0.75 1.75 0.35 -1.63 1.01 0.00 -4.96 121.20 118.47 1wg6 s ILE 29 Ca -0.03 -0.77 -0.26 0.00 0.00 0.00 0.00 60.65 59.60 1wg6 s ILE 29 Cb -0.15 -1.60 -0.09 0.00 0.01 0.00 0.00 42.46 40.63 1wg6 s ILE 29 CO 0.02 0.49 1.06 -2.16 0.00 0.00 0.00 174.94 174.35 1wg6 s PRO 30 N 1.20 4.37 -0.29 2.79 0.04 -1.26 0.28 135.00 142.13 1wg6 s PRO 30 Ca -0.00 1.62 0.07 0.00 0.04 0.00 0.00 61.00 62.73 1wg6 s PRO 30 Cb -0.14 -2.82 0.46 0.00 0.04 0.00 0.00 34.50 32.04 1wg6 s PRO 30 CO -0.07 0.02 1.19 1.28 0.04 0.00 0.00 177.00 179.46 1wg6 n LEU 31 N 0.47 4.85 0.31 -3.56 4.77 0.56 -4.67 117.00 119.74 1wg6 n LEU 31 Ca 0.02 -4.71 -0.12 0.00 -0.03 0.00 0.00 56.01 51.17 1wg6 n LEU 31 Cb 0.48 -0.33 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 1wg6 n LEU 31 CO 0.49 2.08 0.46 -0.55 -1.33 0.00 0.00 177.39 178.54 1wg6 h ASN 32 N 2.17 -0.67 0.15 -1.43 7.08 -1.90 -0.54 115.58 120.44 1wg6 h ASN 32 Ca 0.36 0.02 -0.20 0.00 -3.08 0.00 0.00 56.30 53.40 1wg6 h ASN 32 Cb 1.53 0.17 -0.04 0.00 -2.08 0.00 0.00 38.32 37.90 1wg6 h ASN 32 CO 0.74 -0.44 -2.05 0.47 -2.08 0.00 0.00 177.43 174.07 1wg6 n ASP 33 N -4.34 0.18 -0.04 6.14 8.00 -1.26 -4.31 116.55 120.92 1wg6 n ASP 33 Ca -0.10 0.08 -0.16 0.00 0.71 0.00 0.00 54.79 55.32 1wg6 n ASP 33 Cb 0.31 1.17 -0.08 0.00 -0.02 0.00 0.00 41.12 42.50 1wg6 n ASP 33 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1wg6 h SER 34 N 0.00 0.69 -0.92 -2.24 0.87 -1.83 -3.19 113.55 106.92 1wg6 h SER 34 Ca -0.28 -0.62 0.36 0.00 -1.23 0.00 0.00 61.79 60.02 1wg6 h SER 34 Cb 1.68 -0.20 -0.13 0.00 -0.44 0.00 0.00 62.40 63.31 1wg6 h SER 34 CO 0.02 1.19 0.54 0.61 -0.53 0.00 0.00 176.83 178.66 1wg6 n GLY 35 N 0.63 -0.64 0.21 5.77 0.00 -0.21 0.17 105.19 111.13 1wg6 n GLY 35 Ca -0.07 0.64 -0.05 0.00 0.00 0.00 0.00 46.02 46.53 1wg6 n GLY 35 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wg6 n SER 36 N -4.65 -0.53 0.04 1.61 2.88 -1.21 -1.95 113.62 109.80 1wg6 n SER 36 Ca 0.32 1.37 0.08 0.00 -1.33 0.00 0.00 58.87 59.31 1wg6 n SER 36 Cb 1.13 -0.36 -0.09 0.00 -0.75 0.00 0.00 64.21 64.14 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 -3.12 2.48 0.00 -1.46 0.00 0.47 -5.09 120.51 113.79 1wg6 n ALA 37 Ca 0.01 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1wg6 n ALA 37 Cb 0.13 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 1.28 -0.21 0.00 0.00 0.00 0.45 -4.81 105.19 101.90 1wg6 n GLY 38 Ca -0.05 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.70 1wg6 n GLY 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wg6 n LEU 39 N 0.00 0.00 0.00 0.99 4.77 -1.26 -4.24 117.00 117.25 1wg6 n LEU 39 Ca 0.00 0.91 0.00 0.00 -0.03 0.00 0.00 56.01 56.89 1wg6 n LEU 39 Cb 0.00 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1wg6 n LEU 39 CO 0.00 -0.44 0.00 0.61 -1.33 0.00 0.00 177.39 176.23 1wg6 n GLY 40 N -1.00 1.99 3.40 -0.72 0.00 -1.26 -4.00 105.19 103.59 1wg6 n GLY 40 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 2.13 -0.14 1.61 -7.23 -1.26 -4.27 120.40 109.24 1wg6 s VAL 41 Ca 0.00 -2.19 -0.01 0.00 -1.81 0.00 0.00 61.98 57.97 1wg6 s VAL 41 Cb 0.00 -2.11 -0.02 0.00 0.56 0.00 0.00 36.38 34.82 1wg6 s VAL 41 CO 0.00 -0.38 -0.11 -0.55 -0.31 0.00 0.00 175.10 173.75 1wg6 s SER 42 N -3.14 4.17 0.45 4.85 0.15 -1.23 -5.06 113.70 113.89 1wg6 s SER 42 Ca 0.24 -0.30 0.06 0.00 0.70 0.00 0.00 55.95 56.64 1wg6 s SER 42 Cb -0.05 -1.65 -0.03 0.00 -1.71 0.00 0.00 66.02 62.58 1wg6 s SER 42 CO 0.10 0.15 0.18 -0.76 1.20 0.00 0.00 173.24 174.11 1wg6 s LEU 43 N 0.47 2.88 -0.05 3.45 1.43 -1.26 -0.71 118.68 124.89 1wg6 s LEU 43 Ca -0.08 -1.23 -0.05 0.00 -1.03 0.00 0.00 54.13 51.74 1wg6 s LEU 43 Cb -0.15 -1.23 0.01 0.00 0.03 0.00 0.00 46.19 44.85 1wg6 s LEU 43 CO 0.04 -0.70 0.13 -1.59 0.23 0.00 0.00 176.35 174.47 1wg6 s LYS 44 N -3.96 0.16 -0.15 1.70 0.00 -0.10 -4.75 119.74 112.64 1wg6 s LYS 44 Ca 0.33 0.19 -0.15 0.00 0.00 0.00 0.00 55.97 56.33 1wg6 s LYS 44 Cb 0.03 0.07 -0.04 0.00 0.00 0.00 0.00 37.83 37.89 1wg6 s LYS 44 CO 0.19 -0.02 0.36 0.20 0.00 0.00 0.00 175.35 176.08 1wg6 s GLY 45 N 0.08 2.26 -0.12 0.59 0.00 -1.26 -2.40 107.32 106.47 1wg6 s GLY 45 Ca -0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 44.72 44.32 1wg6 s GLY 45 CO 0.00 0.58 -0.01 0.21 0.00 0.00 0.00 173.10 173.87 1wg6 s ASN 46 N 0.58 5.04 0.08 1.64 3.84 -1.21 -5.04 114.94 119.87 1wg6 s ASN 46 Ca 0.20 0.02 0.08 0.00 0.21 0.00 0.00 52.86 53.36 1wg6 s ASN 46 Cb -0.14 -1.61 -0.03 0.00 -0.55 0.00 0.00 41.25 38.93 1wg6 s ASN 46 CO 0.06 0.28 -0.21 -0.75 -2.79 0.00 0.00 177.10 173.68 1wg6 s LYS 47 N -0.27 1.27 -0.04 0.43 2.20 -1.26 -1.74 119.74 120.32 1wg6 s LYS 47 Ca 0.05 -1.09 0.04 0.00 -0.36 0.00 0.00 55.97 54.61 1wg6 s LYS 47 Cb -0.12 -1.49 -0.03 0.00 -1.51 0.00 0.00 37.83 34.68 1wg6 s LYS 47 CO 0.02 0.36 -0.14 -1.12 -0.36 0.00 0.00 175.35 174.12 1wg6 s SER 48 N -1.61 4.09 -0.11 1.43 0.01 -0.17 -4.88 113.70 112.47 1wg6 s SER 48 Ca 0.08 -0.19 -0.14 0.00 1.31 0.00 0.00 55.95 57.01 1wg6 s SER 48 Cb -0.10 -0.87 -0.27 0.00 0.21 0.00 0.00 66.02 65.00 1wg6 s SER 48 CO 0.03 0.34 0.51 -0.09 0.41 0.00 0.00 173.24 174.44 1wg6 h ARG 49 N 5.24 0.26 -0.60 12.44 1.12 -1.93 -0.83 114.38 130.07 1wg6 h ARG 49 Ca -0.47 -0.44 0.06 0.00 -1.11 0.00 0.00 59.98 58.03 1wg6 h ARG 49 Cb 1.15 0.16 -0.09 0.00 -0.01 0.00 0.00 29.97 31.19 1wg6 h ARG 49 CO 0.50 1.21 -0.55 0.93 -3.11 0.00 0.00 179.97 178.95 1wg6 h GLU 50 N -0.21 -0.24 0.00 0.20 4.39 -1.96 -0.14 114.58 116.62 1wg6 h GLU 50 Ca -0.34 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.38 1wg6 h GLU 50 Cb 1.84 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.54 1wg6 h GLU 50 CO 0.07 -0.16 -0.60 0.25 -1.16 0.00 0.00 179.01 177.41 1wg6 n THR 51 N -5.26 0.14 -2.42 1.13 -2.24 -1.26 -4.94 114.28 99.44 1wg6 n THR 51 Ca -0.02 -0.12 -0.20 0.00 -2.27 0.00 0.00 64.05 61.45 1wg6 n THR 51 Cb 0.30 0.11 -0.01 0.00 -2.10 0.00 0.00 70.33 68.64 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 1.43 -0.50 3.55 3.38 0.00 -0.07 -4.97 105.19 108.01 1wg6 n GLY 52 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.00 2.03 -0.31 2.61 2.01 -0.94 -4.92 115.64 113.12 1wg6 s THR 53 Ca 0.01 -2.11 -0.24 0.00 0.31 0.00 0.00 61.69 59.66 1wg6 s THR 53 Cb -0.00 -2.76 0.00 0.00 0.01 0.00 0.00 72.50 69.75 1wg6 s THR 53 CO 0.01 -0.13 0.79 1.51 -0.69 0.00 0.00 174.62 176.11 1wg6 s ASP 54 N -3.62 6.67 0.50 3.53 1.47 -1.26 -1.00 116.67 122.96 1wg6 s ASP 54 Ca 0.33 0.68 0.18 0.00 1.18 0.00 0.00 52.55 54.92 1wg6 s ASP 54 Cb 0.06 -2.41 1.24 0.00 -0.34 0.00 0.00 42.92 41.47 1wg6 s ASP 54 CO 0.16 -0.62 2.06 -0.07 0.68 0.00 0.00 175.17 177.39 1wg6 h LEU 55 N 9.46 0.10 0.00 2.11 3.38 -1.68 -3.48 115.31 125.20 1wg6 h LEU 55 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1wg6 h LEU 55 Cb 1.10 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1wg6 h LEU 55 CO 0.89 0.07 0.00 0.61 0.09 0.00 0.00 178.44 180.09 1wg6 n GLY 56 N -1.57 0.62 3.46 0.83 0.00 -1.24 -4.98 105.19 102.32 1wg6 n GLY 56 Ca 0.04 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.82 2.72 0.00 -0.61 -1.09 -1.26 -3.30 121.20 114.84 1wg6 s ILE 57 Ca 0.00 -1.39 -0.06 0.00 -2.23 0.00 0.00 60.65 56.97 1wg6 s ILE 57 Cb 0.00 -2.19 -0.00 0.00 -1.58 0.00 0.00 42.46 38.69 1wg6 s ILE 57 CO 0.00 0.21 0.10 -0.36 -1.23 0.00 0.00 174.94 173.66 1wg6 s PHE 58 N -1.03 0.07 0.45 3.97 0.40 -1.01 -1.44 117.98 119.38 1wg6 s PHE 58 Ca 0.16 -0.17 -0.23 0.00 -0.60 0.00 0.00 56.93 56.09 1wg6 s PHE 58 Cb -0.10 -0.07 -0.08 0.00 0.51 0.00 0.00 43.02 43.28 1wg6 s PHE 58 CO 0.07 -0.25 1.09 0.42 0.70 0.00 0.00 175.22 177.26 1wg6 s ILE 59 N -1.27 3.47 -0.24 0.64 1.01 -0.85 -0.92 121.20 123.05 1wg6 s ILE 59 Ca -0.14 1.07 -0.16 0.00 0.00 0.00 0.00 60.65 61.42 1wg6 s ILE 59 Cb -0.07 -3.52 -0.10 0.00 0.01 0.00 0.00 42.46 38.78 1wg6 s ILE 59 CO 0.01 -0.05 -0.32 1.17 0.00 0.00 0.00 174.94 175.74 1wg6 n LYS 60 N -0.46 0.56 -3.64 2.79 4.81 0.12 0.19 118.16 122.54 1wg6 n LYS 60 Ca 0.07 0.27 -0.03 0.00 -0.87 0.00 0.00 58.31 57.75 1wg6 n LYS 60 Cb 0.50 -1.49 -0.04 0.00 0.02 0.00 0.00 35.03 34.01 1wg6 n LYS 60 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1wg6 s SER 61 N -6.87 -0.07 0.11 3.14 1.04 -1.14 -4.55 113.70 105.36 1wg6 s SER 61 Ca -0.34 0.09 -0.17 0.00 0.48 0.00 0.00 55.95 56.01 1wg6 s SER 61 Cb 0.10 0.07 -0.07 0.00 0.10 0.00 0.00 66.02 66.22 1wg6 s SER 61 CO 0.47 -0.06 0.56 -0.63 0.98 0.00 0.00 173.24 174.55 1wg6 s ILE 62 N -0.94 4.80 0.09 -1.02 1.09 -1.26 -3.52 121.20 120.45 1wg6 s ILE 62 Ca 0.08 1.01 -0.09 0.00 -1.10 0.00 0.00 60.65 60.55 1wg6 s ILE 62 Cb -0.01 -3.81 -0.06 0.00 -1.06 0.00 0.00 42.46 37.52 1wg6 s ILE 62 CO -0.08 0.39 0.39 -0.63 -0.10 0.00 0.00 174.94 174.92 1wg6 s ILE 63 N -1.30 5.11 0.21 2.92 1.09 -1.26 -4.94 121.20 123.03 1wg6 s ILE 63 Ca 0.34 0.38 0.02 0.00 -1.10 0.00 0.00 60.65 60.28 1wg6 s ILE 63 Cb -0.17 -3.64 -0.04 0.00 -1.06 0.00 0.00 42.46 37.56 1wg6 s ILE 63 CO 0.19 0.25 0.37 -2.28 -0.10 0.00 0.00 174.94 173.36 1wg6 s HIS 64 N -1.44 3.48 -0.04 3.97 5.65 -1.26 -2.20 115.29 123.45 1wg6 s HIS 64 Ca 0.34 0.19 0.00 0.00 0.25 0.00 0.00 55.06 55.84 1wg6 s HIS 64 Cb -0.14 -1.73 0.00 0.00 -1.18 0.00 0.00 32.58 29.53 1wg6 s HIS 64 CO 0.19 0.41 0.00 0.41 -0.65 0.00 0.00 174.74 175.10 1wg6 n GLY 65 N -0.93 0.46 0.00 1.59 0.00 -1.26 -4.98 105.19 100.07 1wg6 n GLY 65 Ca -0.06 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.88 5.80 0.06 -0.02 0.00 -1.26 -5.07 105.19 101.82 1wg6 n GLY 66 Ca -0.00 -1.56 -0.04 0.00 0.00 0.00 0.00 46.02 44.42 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 0.01 -0.98 4.61 0.00 -1.86 -3.36 119.26 118.68 1wg6 h ALA 67 Ca 0.00 -0.30 0.31 0.00 0.00 0.00 0.00 54.91 54.92 1wg6 h ALA 67 Cb 0.00 0.25 -0.18 0.00 0.00 0.00 0.00 17.79 17.86 1wg6 h ALA 67 CO 0.00 0.25 0.19 0.00 0.00 0.00 0.00 179.25 179.69 1wg6 h ALA 68 N -0.93 1.47 -0.78 0.00 0.00 -1.82 0.54 119.26 117.73 1wg6 h ALA 68 Ca -0.02 0.31 0.22 0.00 0.00 0.00 0.00 54.91 55.43 1wg6 h ALA 68 Cb 0.33 0.49 -0.15 0.00 0.00 0.00 0.00 17.79 18.47 1wg6 h ALA 68 CO -0.01 -0.67 0.04 0.34 0.00 0.00 0.00 179.25 178.95 1wg6 n PHE 69 N -5.40 0.52 0.06 0.00 7.35 -0.93 0.20 117.46 119.26 1wg6 n PHE 69 Ca 0.27 0.94 -0.11 0.00 -0.76 0.00 0.00 57.45 57.79 1wg6 n PHE 69 Cb 0.90 -1.10 -0.05 0.00 0.35 0.00 0.00 39.48 39.58 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 -0.39 0.00 -4.13 1.57 -0.11 0.15 116.57 113.67 1wg6 h LYS 70 Ca 0.49 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 1wg6 h LYS 70 Cb 1.02 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1wg6 h LYS 70 CO -0.73 -0.26 0.00 -3.47 -0.57 0.00 0.00 179.45 174.43 1wg6 n ASP 71 N -5.37 0.46 -0.55 0.86 2.03 0.47 -3.63 116.55 110.80 1wg6 n ASP 71 Ca -0.05 0.57 0.42 0.00 0.52 0.00 0.00 54.79 56.26 1wg6 n ASP 71 Cb 0.29 -0.68 0.66 0.00 -0.72 0.00 0.00 41.12 40.66 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 0.71 -0.80 0.64 0.27 0.00 0.52 0.36 105.19 106.90 1wg6 n GLY 72 Ca 0.04 0.59 0.48 0.00 0.00 0.00 0.00 46.02 47.14 1wg6 n GLY 72 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1wg6 n ARG 73 N -3.76 -0.00 -0.48 1.61 1.85 -1.24 -4.31 116.66 110.33 1wg6 n ARG 73 Ca 0.37 1.00 -0.24 0.00 -1.00 0.00 0.00 57.85 57.98 1wg6 n ARG 73 Cb 1.61 -2.29 0.22 0.00 -1.05 0.00 0.00 32.46 30.94 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 -3.81 0.00 -3.96 2.89 4.77 0.16 -5.05 117.00 112.00 1wg6 n LEU 74 Ca 0.41 -0.80 -0.22 0.00 -0.03 0.00 0.00 56.01 55.37 1wg6 n LEU 74 Cb 1.83 -0.79 -0.16 0.00 -2.33 0.00 0.00 43.42 41.96 1wg6 n LEU 74 CO 0.39 -2.27 -0.44 -0.13 -1.33 0.00 0.00 177.39 173.62 1wg6 s ARG 75 N -4.80 1.20 0.96 3.23 0.52 -1.26 -5.00 118.95 113.81 1wg6 s ARG 75 Ca 0.55 -0.26 -0.12 0.00 -0.52 0.00 0.00 55.73 55.38 1wg6 s ARG 75 Cb -0.08 -1.07 0.18 0.00 0.52 0.00 0.00 34.95 34.50 1wg6 s ARG 75 CO 0.44 -0.01 0.39 0.00 0.02 0.00 0.00 175.30 176.14 1wg6 n MET 76 N 3.85 -2.28 -1.87 3.54 0.00 -1.26 -3.57 117.12 115.53 1wg6 n MET 76 Ca -0.24 -0.68 -0.18 0.00 0.00 0.00 0.00 57.70 56.61 1wg6 n MET 76 Cb 0.52 -1.43 -0.05 0.00 0.00 0.00 0.00 33.22 32.26 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 -1.10 -5.14 -4.60 3.17 5.03 0.52 -4.83 115.26 108.31 1wg6 n ASN 77 Ca 0.06 0.24 -0.41 0.00 0.87 0.00 0.00 54.58 55.34 1wg6 n ASN 77 Cb 0.29 -4.20 -0.06 0.00 -1.02 0.00 0.00 39.78 34.78 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 -2.55 6.50 0.08 6.41 1.01 -1.23 -4.70 116.67 122.19 1wg6 s ASP 78 Ca 0.00 0.40 -0.31 0.00 0.71 0.00 0.00 52.55 53.36 1wg6 s ASP 78 Cb 0.00 -2.34 -0.07 0.00 1.01 0.00 0.00 42.92 41.52 1wg6 s ASP 78 CO 0.00 -0.51 1.33 -1.58 0.21 0.00 0.00 175.17 174.61 1wg6 s GLN 79 N 2.66 4.35 -0.58 8.23 0.74 -1.26 -2.00 119.66 131.80 1wg6 s GLN 79 Ca 0.26 1.96 -0.21 0.00 0.05 0.00 0.00 55.36 57.42 1wg6 s GLN 79 Cb -0.15 -3.33 0.07 0.00 1.10 0.00 0.00 33.01 30.71 1wg6 s GLN 79 CO 0.12 -0.40 0.78 -0.51 -0.55 0.00 0.00 175.29 174.74 1wg6 s LEU 80 N 1.27 4.85 0.00 3.68 1.02 -0.52 -3.48 118.68 125.49 1wg6 s LEU 80 Ca 0.62 -1.04 0.20 0.00 0.02 0.00 0.00 54.13 53.93 1wg6 s LEU 80 Cb -0.34 -2.44 1.08 0.00 0.02 0.00 0.00 46.19 44.52 1wg6 s LEU 80 CO 0.29 -1.16 1.71 2.30 0.02 0.00 0.00 176.35 179.52 1wg6 n ILE 81 N 5.74 0.05 0.00 -0.59 -5.35 0.49 -4.33 119.36 115.37 1wg6 n ILE 81 Ca -0.06 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 1wg6 n ILE 81 Cb 0.45 -0.14 0.00 0.00 -1.74 0.00 0.00 39.64 38.21 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 -0.54 0.00 -3.62 -1.28 0.00 -1.24 -4.32 120.51 109.51 1wg6 n ALA 82 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.57 1wg6 n ALA 82 Cb 0.13 0.00 -0.05 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 -2.00 -0.70 -1.32 0.00 0.11 0.41 -2.93 120.40 113.97 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 5.09 -5.68 0.00 3.54 3.02 -0.52 0.43 115.26 121.14 1wg6 n ASN 84 Ca -0.13 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1wg6 n ASN 84 Cb 0.52 -4.27 0.00 0.00 -0.61 0.00 0.00 39.78 35.42 1wg6 n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wg6 n GLY 85 N 0.12 1.64 3.74 7.41 0.00 -1.26 -4.98 105.19 111.85 1wg6 n GLY 85 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.85 4.61 0.92 1.61 2.12 0.17 -5.04 118.70 122.24 1wg6 s GLU 86 Ca 0.00 1.26 -0.12 0.00 0.36 0.00 0.00 54.97 56.47 1wg6 s GLU 86 Cb 0.00 -3.36 0.14 0.00 0.26 0.00 0.00 34.13 31.17 1wg6 s GLU 86 CO 0.00 0.28 1.11 -0.08 -0.54 0.00 0.00 175.26 176.03 1wg6 s THR 87 N -0.14 2.24 0.00 -1.70 -1.32 -1.26 0.15 115.64 113.61 1wg6 s THR 87 Ca 0.42 0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.98 1wg6 s THR 87 Cb -0.22 -2.72 0.00 0.00 -1.51 0.00 0.00 72.50 68.05 1wg6 s THR 87 CO 0.27 -0.10 0.00 0.18 -2.21 0.00 0.00 174.62 172.75 1wg6 n LEU 88 N -3.86 0.00 -0.34 9.08 4.77 -1.26 -4.73 117.00 120.66 1wg6 n LEU 88 Ca 0.06 0.00 0.21 0.00 -0.03 0.00 0.00 56.01 56.25 1wg6 n LEU 88 Cb 0.58 0.02 0.44 0.00 -2.33 0.00 0.00 43.42 42.12 1wg6 n LEU 88 CO 0.57 -0.35 1.16 -0.07 -1.33 0.00 0.00 177.39 177.37 1wg6 h LEU 89 N 0.00 0.59 -1.55 2.23 3.38 -1.84 1.50 115.31 119.63 1wg6 h LEU 89 Ca 0.00 0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1wg6 h LEU 89 Cb 0.00 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1wg6 h LEU 89 CO 0.00 0.02 -0.19 1.23 0.09 0.00 0.00 178.44 179.58 1wg6 h GLY 90 N 0.47 0.05 -0.34 0.83 0.00 -1.96 -3.43 103.07 98.68 1wg6 h GLY 90 Ca 0.68 -0.03 -0.13 0.00 0.00 0.00 0.00 47.33 47.84 1wg6 h GLY 90 CO -0.50 0.03 0.07 0.28 0.00 0.00 0.00 176.54 176.42 1wg6 n LYS 91 N -4.29 0.10 -1.82 4.80 5.02 0.51 -5.10 118.16 117.39 1wg6 n LYS 91 Ca -0.02 -0.73 -0.08 0.00 -2.02 0.00 0.00 58.31 55.46 1wg6 n LYS 91 Cb 0.27 -0.28 0.02 0.00 -0.02 0.00 0.00 35.03 35.03 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 -3.08 0.89 0.18 4.39 7.64 -1.26 -4.83 113.62 117.55 1wg6 n SER 92 Ca 0.05 -1.61 0.03 0.00 1.01 0.00 0.00 58.87 58.35 1wg6 n SER 92 Cb 0.17 -0.15 0.32 0.00 -1.01 0.00 0.00 64.21 63.54 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 0.06 0.00 0.00 6.43 2.35 -1.92 -1.77 115.58 120.73 1wg6 h ASN 93 Ca -0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1wg6 h ASN 93 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1wg6 h ASN 93 CO 0.16 0.43 -0.09 -0.74 -1.65 0.00 0.00 177.43 175.53 1wg6 h HIS 94 N 0.00 0.00 -0.75 1.19 -0.00 -1.96 -3.28 115.15 110.34 1wg6 h HIS 94 Ca -0.00 0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.44 1wg6 h HIS 94 Cb 0.82 0.00 -0.10 0.00 -0.00 0.00 0.00 27.41 28.13 1wg6 h HIS 94 CO 0.00 0.00 -0.54 0.93 -0.00 0.00 0.00 177.93 178.32 1wg6 h GLU 95 N -0.36 -0.12 0.00 5.26 5.08 -1.95 0.32 114.58 122.81 1wg6 h GLU 95 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1wg6 h GLU 95 Cb 0.09 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1wg6 h GLU 95 CO 0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 179.01 177.93 1wg6 n ALA 96 N -3.18 0.00 -0.35 3.43 0.00 -0.66 0.79 120.51 120.54 1wg6 n ALA 96 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.68 1wg6 n ALA 96 Cb 0.27 0.47 0.48 0.00 0.00 0.00 0.00 19.45 20.67 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 0.37 -0.07 0.00 2.86 -1.39 1.46 114.93 118.16 1wg6 h MET 97 Ca 0.00 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1wg6 h MET 97 Cb 0.00 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 1wg6 h MET 97 CO 0.00 0.25 -0.10 1.05 1.06 0.00 0.00 176.91 179.17 1wg6 h GLU 98 N 0.39 0.11 0.00 1.72 4.11 0.43 -2.85 114.58 118.49 1wg6 h GLU 98 Ca 0.69 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 60.10 1wg6 h GLU 98 Cb 1.61 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.85 1wg6 h GLU 98 CO -0.48 0.22 -0.00 1.15 0.07 0.00 0.00 179.01 179.97 1wg6 h THR 99 N 0.11 1.68 0.00 -1.06 2.02 0.63 -2.92 112.91 113.36 1wg6 h THR 99 Ca 0.02 -2.03 0.00 0.00 0.77 0.00 0.00 66.41 65.17 1wg6 h THR 99 Cb 0.24 3.05 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 1wg6 h THR 99 CO 0.01 0.53 0.00 -0.11 0.37 0.00 0.00 175.52 176.32 1wg6 n LEU 100 N -4.67 0.00 -0.19 2.58 7.94 -0.17 0.08 117.00 122.57 1wg6 n LEU 100 Ca -0.10 0.83 -0.06 0.00 -1.11 0.00 0.00 56.01 55.57 1wg6 n LEU 100 Cb 0.42 -0.33 -0.01 0.00 0.53 0.00 0.00 43.42 44.03 1wg6 n LEU 100 CO 0.34 -0.33 0.61 -0.09 -1.11 0.00 0.00 177.39 176.81 1wg6 h ARG 101 N 0.00 -0.19 -0.98 1.96 2.43 -1.69 0.39 114.38 116.30 1wg6 h ARG 101 Ca 0.00 0.01 0.33 0.00 -0.81 0.00 0.00 59.98 59.51 1wg6 h ARG 101 Cb 0.00 0.04 -0.17 0.00 -0.42 0.00 0.00 29.97 29.43 1wg6 h ARG 101 CO 0.00 -0.13 0.39 -0.09 -1.51 0.00 0.00 179.97 178.63 1wg6 h ARG 102 N -0.20 0.12 -0.08 0.20 2.43 -0.98 0.70 114.38 116.56 1wg6 h ARG 102 Ca 0.21 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1wg6 h ARG 102 Cb 0.56 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1wg6 h ARG 102 CO -0.66 0.08 -0.02 0.77 -1.51 0.00 0.00 179.97 178.63 1wg6 h SER 103 N 0.12 0.15 -0.98 -3.80 0.02 0.37 0.26 113.55 109.70 1wg6 h SER 103 Ca 0.72 -0.36 0.28 0.00 -0.84 0.00 0.00 61.79 61.59 1wg6 h SER 103 Cb 1.69 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 64.15 1wg6 h SER 103 CO -0.74 0.48 0.87 0.24 -1.14 0.00 0.00 176.83 176.54 1wg6 h MET 104 N -0.17 0.00 0.03 3.45 2.86 0.16 1.90 114.93 123.15 1wg6 h MET 104 Ca 0.02 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.29 1wg6 h MET 104 Cb 0.41 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.01 1wg6 h MET 104 CO 0.01 0.00 -2.28 0.43 1.06 0.00 0.00 176.91 176.13 1wg6 n SER 105 N -3.77 1.41 0.11 1.22 7.64 -0.76 -2.87 113.62 116.59 1wg6 n SER 105 Ca 0.21 0.02 -0.09 0.00 1.01 0.00 0.00 58.87 60.02 1wg6 n SER 105 Cb 1.19 -0.12 -0.05 0.00 -1.01 0.00 0.00 64.21 64.22 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 0.01 -0.35 -0.29 1.43 -1.53 0.34 -2.46 114.93 112.08 1wg6 h MET 106 Ca -0.51 0.02 -0.18 0.00 -3.44 0.00 0.00 59.70 55.59 1wg6 h MET 106 Cb 2.03 0.08 0.00 0.00 -0.55 0.00 0.00 31.60 33.15 1wg6 h MET 106 CO -0.01 -0.06 -0.52 0.93 0.14 0.00 0.00 176.91 177.39 1wg6 h GLU 107 N -1.01 0.87 0.00 0.39 4.39 0.25 -2.62 114.58 116.85 1wg6 h GLU 107 Ca -0.04 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 59.12 1wg6 h GLU 107 Cb 0.44 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1wg6 h GLU 107 CO 0.06 1.18 0.00 0.41 -1.16 0.00 0.00 179.01 179.50 1wg6 n GLY 108 N 0.36 -0.74 0.02 -3.84 0.00 -1.09 0.20 105.19 100.09 1wg6 n GLY 108 Ca -0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 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 0.14 1.61 2.35 -1.05 -3.17 115.58 115.46 1wg6 h ASN 109 Ca 0.00 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.45 1wg6 h ASN 109 Cb 0.14 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.54 1wg6 h ASN 109 CO 0.00 0.23 -1.26 0.16 -1.65 0.00 0.00 177.43 174.91 1wg6 h ILE 110 N -0.33 1.29 0.00 2.81 -2.65 -1.50 -3.40 117.51 113.74 1wg6 h ILE 110 Ca 0.00 -2.49 0.00 0.00 1.03 0.00 0.00 64.86 63.40 1wg6 h ILE 110 Cb 0.13 2.76 0.00 0.00 -2.05 0.00 0.00 36.82 37.66 1wg6 h ILE 110 CO 0.00 0.75 0.00 -1.14 0.03 0.00 0.00 178.15 177.79 1wg6 n ARG 111 N -3.80 0.00 0.00 0.16 0.63 0.54 -5.02 116.66 109.17 1wg6 n ARG 111 Ca -0.14 0.35 0.00 0.00 -0.92 0.00 0.00 57.85 57.14 1wg6 n ARG 111 Cb 0.99 -0.84 0.00 0.00 0.45 0.00 0.00 32.46 33.06 1wg6 n ARG 111 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wg6 n GLY 112 N 1.95 1.18 3.25 5.14 0.00 0.42 -4.89 105.19 112.24 1wg6 n GLY 112 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1wg6 n GLY 112 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wg6 s MET 113 N -0.53 1.05 0.01 1.61 -1.94 -1.25 0.21 119.30 118.46 1wg6 s MET 113 Ca 0.00 -1.32 0.02 0.00 -1.71 0.00 0.00 55.69 52.68 1wg6 s MET 113 Cb 0.00 0.31 -0.01 0.00 2.01 0.00 0.00 34.83 37.14 1wg6 s MET 113 CO 0.00 -0.35 -0.07 -1.50 -0.01 0.00 0.00 175.02 173.10 1wg6 s ILE 114 N -4.01 0.51 -0.04 2.53 2.07 0.14 -4.00 121.20 118.39 1wg6 s ILE 114 Ca 0.21 -0.53 0.04 0.00 -1.41 0.00 0.00 60.65 58.96 1wg6 s ILE 114 Cb 0.05 -0.48 -0.03 0.00 0.13 0.00 0.00 42.46 42.14 1wg6 s ILE 114 CO 0.01 -0.04 -0.15 -1.58 -1.91 0.00 0.00 174.94 171.28 1wg6 s GLN 115 N -0.62 2.46 -0.16 3.50 0.74 -1.26 -0.82 119.66 123.50 1wg6 s GLN 115 Ca -0.02 -0.72 0.01 0.00 0.05 0.00 0.00 55.36 54.68 1wg6 s GLN 115 Cb -0.05 -2.35 0.02 0.00 1.10 0.00 0.00 33.01 31.73 1wg6 s GLN 115 CO 0.00 0.62 -0.18 -0.51 -0.55 0.00 0.00 175.29 174.67 1wg6 s LEU 116 N -0.75 1.93 -0.35 3.68 1.43 -1.01 -1.44 118.68 122.17 1wg6 s LEU 116 Ca 0.11 -0.56 -0.12 0.00 -1.03 0.00 0.00 54.13 52.53 1wg6 s LEU 116 Cb -0.11 -1.33 0.00 0.00 0.03 0.00 0.00 46.19 44.78 1wg6 s LEU 116 CO 0.01 -0.01 0.22 -0.69 0.23 0.00 0.00 176.35 176.11 1wg6 s VAL 117 N 1.27 4.97 0.29 -1.59 1.01 -1.15 -3.20 120.40 122.01 1wg6 s VAL 117 Ca 0.02 -0.47 0.08 0.00 0.00 0.00 0.00 61.98 61.62 1wg6 s VAL 117 Cb -0.13 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1wg6 s VAL 117 CO -0.10 -0.09 0.14 0.27 0.00 0.00 0.00 175.10 175.33 1wg6 s ILE 118 N 1.65 3.67 -0.08 2.22 -5.25 -1.08 -0.38 121.20 121.95 1wg6 s ILE 118 Ca 0.05 -1.61 -0.03 0.00 -0.99 0.00 0.00 60.65 58.06 1wg6 s ILE 118 Cb -0.18 -3.10 0.05 0.00 2.95 0.00 0.00 42.46 42.17 1wg6 s ILE 118 CO 0.09 -0.29 0.15 -0.22 -1.79 0.00 0.00 174.94 172.88 1wg6 s LEU 119 N -3.82 -0.02 0.20 0.37 1.98 -1.23 -2.99 118.68 113.18 1wg6 s LEU 119 Ca 0.35 0.31 0.10 0.00 -2.89 0.00 0.00 54.13 52.00 1wg6 s LEU 119 Cb -0.06 0.25 -0.04 0.00 0.66 0.00 0.00 46.19 46.99 1wg6 s LEU 119 CO 0.23 -0.24 -0.20 -0.60 -1.89 0.00 0.00 176.35 173.65 1wg6 s ARG 120 N 2.22 1.46 0.74 1.98 3.52 0.43 -4.65 118.95 124.65 1wg6 s ARG 120 Ca 0.03 -1.54 -0.11 0.00 -0.13 0.00 0.00 55.73 53.98 1wg6 s ARG 120 Cb -0.12 -1.60 0.17 0.00 -1.56 0.00 0.00 34.95 31.84 1wg6 s ARG 120 CO -0.05 0.32 1.01 0.54 -0.81 0.00 0.00 175.30 176.31 1wg6 n ARG 121 N 0.03 -0.82 0.41 5.12 3.00 -1.26 -1.75 116.66 121.39 1wg6 n ARG 121 Ca -0.11 -1.77 -0.19 0.00 -0.01 0.00 0.00 57.85 55.78 1wg6 n ARG 121 Cb 0.58 -0.98 -0.09 0.00 0.00 0.00 0.00 32.46 31.96 1wg6 n ARG 121 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1wg6 h SER 122 N -1.21 -1.17 0.00 0.55 4.64 -1.98 -3.44 113.55 110.93 1wg6 h SER 122 Ca -0.33 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1wg6 h SER 122 Cb 0.96 0.34 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1wg6 h SER 122 CO 0.25 -0.71 0.00 0.61 -0.87 0.00 0.00 176.83 176.11 1wg6 n GLY 123 N -1.59 -1.78 0.00 -0.77 0.00 -1.26 -5.01 105.19 94.78 1wg6 n GLY 123 Ca -0.14 0.71 0.10 0.00 0.00 0.00 0.00 46.02 46.68 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 -3.71 1.61 -0.04 -1.26 -4.76 135.00 127.59 1wg6 n PRO 124 Ca 0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 1wg6 n PRO 124 Cb 0.00 -1.40 -0.04 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 -1.85 5.01 0.31 3.54 0.01 -1.26 -5.11 113.70 114.35 1wg6 s SER 125 Ca 0.29 -0.73 -0.20 0.00 1.31 0.00 0.00 55.95 56.62 1wg6 s SER 125 Cb 0.13 -0.66 -0.09 0.00 0.21 0.00 0.00 66.02 65.61 1wg6 s SER 125 CO 0.22 -0.55 0.83 -0.55 0.41 0.00 0.00 173.24 173.60 1wg6 s SER 126 N -4.06 7.03 0.00 2.44 0.15 -1.26 -5.20 113.70 112.80 1wg6 s SER 126 Ca 0.45 1.54 0.00 0.00 0.70 0.00 0.00 55.95 58.64 1wg6 s SER 126 Cb -0.03 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1wg6 s SER 126 CO 0.27 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.19