#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 -7.93 0.00 1.61 7.64 -1.26 -5.09 113.62 108.59 1wg6 n SER 2 Ca 0.00 1.47 0.00 0.00 1.01 0.00 0.00 58.87 61.35 1wg6 n SER 2 Cb 0.00 -4.34 0.00 0.00 -1.01 0.00 0.00 64.21 58.86 1wg6 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wg6 n SER 3 N 1.45 0.00 -0.60 6.43 7.64 -1.26 -5.19 113.62 122.09 1wg6 n SER 3 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wg6 n SER 3 Cb 0.01 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1wg6 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wg6 n GLY 4 N -0.03 2.39 3.69 0.23 0.00 -1.26 -5.19 105.19 105.02 1wg6 n GLY 4 Ca 0.00 -0.91 -0.08 0.00 0.00 0.00 0.00 46.02 45.03 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 0.20 -0.21 0.20 1.61 0.01 -1.26 -5.19 113.70 109.06 1wg6 s SER 5 Ca 0.00 -0.67 -0.13 0.00 1.31 0.00 0.00 55.95 56.47 1wg6 s SER 5 Cb 0.00 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.88 1wg6 s SER 5 CO 0.00 -1.21 0.41 -0.55 0.41 0.00 0.00 173.24 172.31 1wg6 s SER 6 N -2.94 -0.09 0.00 2.44 0.15 -1.26 -5.11 113.70 106.89 1wg6 s SER 6 Ca 0.14 -0.75 0.00 0.00 0.70 0.00 0.00 55.95 56.04 1wg6 s SER 6 Cb -0.03 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 1wg6 s SER 6 CO 0.05 -1.01 0.00 0.61 1.20 0.00 0.00 173.24 174.09 1wg6 n GLY 7 N -0.30 0.84 1.25 9.45 0.00 -1.26 -5.09 105.19 110.08 1wg6 n GLY 7 Ca -0.07 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 -4.95 -3.63 0.99 4.77 -1.26 -4.98 117.00 107.94 1wg6 n LEU 8 Ca 0.00 2.19 -0.29 0.00 -0.03 0.00 0.00 56.01 57.88 1wg6 n LEU 8 Cb 0.00 -1.79 -0.14 0.00 -2.33 0.00 0.00 43.42 39.17 1wg6 n LEU 8 CO 0.00 -0.42 -0.30 -0.75 -1.33 0.00 0.00 177.39 174.59 1wg6 s LYS 9 N -2.77 0.80 0.00 3.23 2.20 -1.26 -4.90 119.74 117.04 1wg6 s LYS 9 Ca 0.00 -1.38 0.00 0.00 -0.36 0.00 0.00 55.97 54.23 1wg6 s LYS 9 Cb 0.00 -1.82 0.00 0.00 -1.51 0.00 0.00 37.83 34.50 1wg6 s LYS 9 CO 0.00 -1.11 0.00 0.41 -0.36 0.00 0.00 175.35 174.29 1wg6 n GLY 10 N 4.26 2.17 2.47 5.54 0.00 -1.26 -5.02 105.19 113.34 1wg6 n GLY 10 Ca 0.05 -0.56 -0.02 0.00 0.00 0.00 0.00 46.02 45.49 1wg6 n GLY 10 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wg6 n GLU 11 N 0.00 -3.19 -0.92 1.61 2.13 -1.26 -4.76 120.64 114.24 1wg6 n GLU 11 Ca 0.00 2.58 -0.24 0.00 0.66 0.00 0.00 57.16 60.16 1wg6 n GLU 11 Cb 0.00 -4.54 -0.05 0.00 0.27 0.00 0.00 31.44 27.13 1wg6 n GLU 11 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1wg6 n PRO 12 N 0.85 2.46 0.00 5.31 -0.04 -1.26 -4.67 135.00 137.64 1wg6 n PRO 12 Ca -0.12 -1.52 0.00 0.00 -0.04 0.00 0.00 63.50 61.83 1wg6 n PRO 12 Cb 0.18 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 1wg6 n PRO 12 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wg6 n ASP 13 N 3.61 0.00 0.44 3.54 -0.08 -1.26 -5.06 116.55 117.74 1wg6 n ASP 13 Ca 0.52 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.63 1wg6 n ASP 13 Cb 0.30 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.68 1wg6 n ASP 13 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wg6 s TYR 15 N -5.25 -0.33 -0.08 0.00 6.14 -1.26 -5.15 117.35 111.41 1wg6 s TYR 15 Ca -0.16 0.68 -0.02 0.00 0.64 0.00 0.00 57.07 58.20 1wg6 s TYR 15 Cb 0.02 0.24 0.03 0.00 0.42 0.00 0.00 41.96 42.67 1wg6 s TYR 15 CO 0.49 -0.16 0.03 0.00 0.64 0.00 0.00 175.55 176.55 1wg6 s ALA 16 N 1.05 0.55 0.14 3.97 0.00 -1.26 -5.00 121.76 121.20 1wg6 s ALA 16 Ca -0.07 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.80 1wg6 s ALA 16 Cb -0.03 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.32 1wg6 s ALA 16 CO -0.12 -0.60 0.00 1.28 0.00 0.00 0.00 175.76 176.32 1wg6 n LEU 17 N 5.20 0.85 -3.88 0.00 4.77 -1.26 -5.08 117.00 117.60 1wg6 n LEU 17 Ca -0.06 0.21 -0.17 0.00 -0.03 0.00 0.00 56.01 55.95 1wg6 n LEU 17 Cb 0.50 -0.19 -0.16 0.00 -2.33 0.00 0.00 43.42 41.24 1wg6 n LEU 17 CO 0.09 -0.75 -0.39 -0.44 -1.33 0.00 0.00 177.39 174.57 1wg6 s SER 18 N -5.79 0.61 0.30 -1.43 0.01 -1.26 -5.12 113.70 101.02 1wg6 s SER 18 Ca 0.00 -0.08 -0.30 0.00 1.31 0.00 0.00 55.95 56.89 1wg6 s SER 18 Cb 0.00 -0.24 -0.11 0.00 0.21 0.00 0.00 66.02 65.87 1wg6 s SER 18 CO 0.00 -0.04 1.59 -0.76 0.41 0.00 0.00 173.24 174.45 1wg6 s LEU 19 N 0.63 4.34 0.57 2.44 2.01 -1.26 -4.96 118.68 122.45 1wg6 s LEU 19 Ca -0.07 2.98 -0.15 0.00 0.01 0.00 0.00 54.13 56.89 1wg6 s LEU 19 Cb -0.10 -3.64 -0.05 0.00 0.01 0.00 0.00 46.19 42.41 1wg6 s LEU 19 CO -0.01 -0.92 1.03 -1.61 1.01 0.00 0.00 176.35 175.85 1wg6 s GLU 20 N -0.67 3.53 -0.16 1.70 8.01 -1.26 -5.07 118.70 124.79 1wg6 s GLU 20 Ca 0.62 1.07 -0.29 0.00 0.01 0.00 0.00 54.97 56.38 1wg6 s GLU 20 Cb -0.48 -2.07 0.11 0.00 -4.31 0.00 0.00 34.13 27.38 1wg6 s GLU 20 CO 0.50 -0.62 0.92 -1.54 0.01 0.00 0.00 175.26 174.52 1wg6 s SER 21 N -3.04 -0.46 0.69 -0.19 1.04 -1.26 -5.14 113.70 105.35 1wg6 s SER 21 Ca 0.61 0.57 -0.17 0.00 0.48 0.00 0.00 55.95 57.45 1wg6 s SER 21 Cb -0.13 0.48 -0.08 0.00 0.10 0.00 0.00 66.02 66.39 1wg6 s SER 21 CO 0.37 -0.37 0.27 -1.20 0.98 0.00 0.00 173.24 173.29 1wg6 n SER 22 N 1.04 -2.13 -4.76 7.02 7.64 -1.26 -4.59 113.62 116.59 1wg6 n SER 22 Ca -0.13 0.58 -0.22 0.00 1.01 0.00 0.00 58.87 60.11 1wg6 n SER 22 Cb 0.57 -1.10 -0.05 0.00 -1.01 0.00 0.00 64.21 62.62 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 -2.29 2.60 0.00 1.43 2.02 -1.05 -4.94 118.70 116.47 1wg6 s GLU 23 Ca 0.62 -1.30 0.02 0.00 0.02 0.00 0.00 54.97 54.33 1wg6 s GLU 23 Cb -0.37 -2.36 -0.01 0.00 0.10 0.00 0.00 34.13 31.50 1wg6 s GLU 23 CO 0.62 0.28 -0.05 -1.14 0.02 0.00 0.00 175.26 174.99 1wg6 s GLN 24 N -3.82 0.41 0.13 1.61 -0.44 -1.26 -1.82 119.66 114.45 1wg6 s GLN 24 Ca 0.35 -0.22 0.10 0.00 -2.50 0.00 0.00 55.36 53.08 1wg6 s GLN 24 Cb -0.06 -0.37 -0.04 0.00 -1.64 0.00 0.00 33.01 30.90 1wg6 s GLN 24 CO 0.23 0.10 -0.22 -0.51 0.50 0.00 0.00 175.29 175.40 1wg6 s LEU 25 N -0.24 2.55 -0.25 3.68 1.43 -1.15 -4.99 118.68 119.71 1wg6 s LEU 25 Ca 0.01 -0.64 0.01 0.00 -1.03 0.00 0.00 54.13 52.48 1wg6 s LEU 25 Cb -0.03 -1.41 0.07 0.00 0.03 0.00 0.00 46.19 44.85 1wg6 s LEU 25 CO -0.00 0.18 -0.04 -0.89 0.23 0.00 0.00 176.35 175.83 1wg6 s THR 26 N -1.14 1.63 -0.10 5.49 2.01 -1.26 -3.00 115.64 119.27 1wg6 s THR 26 Ca 0.17 -1.39 -0.02 0.00 0.31 0.00 0.00 61.69 60.75 1wg6 s THR 26 Cb -0.10 -1.93 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 1wg6 s THR 26 CO 0.09 -0.18 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.06 1wg6 s LEU 27 N 1.33 3.46 -0.19 4.42 2.01 -1.14 -4.96 118.68 123.61 1wg6 s LEU 27 Ca -0.03 0.06 -0.03 0.00 0.01 0.00 0.00 54.13 54.14 1wg6 s LEU 27 Cb -0.19 -1.80 -0.01 0.00 0.01 0.00 0.00 46.19 44.20 1wg6 s LEU 27 CO -0.08 0.33 -0.07 -1.61 1.01 0.00 0.00 176.35 175.93 1wg6 s GLU 28 N -0.59 3.39 -0.16 1.70 0.41 -1.26 -1.70 118.70 120.50 1wg6 s GLU 28 Ca 0.09 -0.64 0.01 0.00 -0.41 0.00 0.00 54.97 54.03 1wg6 s GLU 28 Cb -0.12 -2.88 0.02 0.00 -1.78 0.00 0.00 34.13 29.37 1wg6 s GLU 28 CO 0.02 -0.05 -0.18 0.42 -0.49 0.00 0.00 175.26 174.99 1wg6 s ILE 29 N 1.06 1.86 0.24 -1.63 1.09 -0.38 -4.96 121.20 118.48 1wg6 s ILE 29 Ca 0.00 -0.82 -0.30 0.00 -1.10 0.00 0.00 60.65 58.43 1wg6 s ILE 29 Cb -0.15 -1.70 -0.09 0.00 -1.06 0.00 0.00 42.46 39.47 1wg6 s ILE 29 CO -0.01 0.51 1.10 -2.16 -0.10 0.00 0.00 174.94 174.28 1wg6 s PRO 30 N 1.27 4.63 -0.50 2.79 0.04 -1.26 -0.30 135.00 141.67 1wg6 s PRO 30 Ca 0.03 1.76 0.04 0.00 0.04 0.00 0.00 61.00 62.87 1wg6 s PRO 30 Cb -0.13 -3.23 0.41 0.00 0.04 0.00 0.00 34.50 31.59 1wg6 s PRO 30 CO -0.10 0.16 1.24 1.28 0.04 0.00 0.00 177.00 179.62 1wg6 n LEU 31 N 1.70 5.10 -0.04 -3.56 4.77 0.54 -4.66 117.00 120.85 1wg6 n LEU 31 Ca 0.00 -5.17 -0.00 0.00 -0.03 0.00 0.00 56.01 50.82 1wg6 n LEU 31 Cb 0.45 -0.54 -0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1wg6 n LEU 31 CO 0.54 2.17 -0.02 0.78 -1.33 0.00 0.00 177.39 179.53 1wg6 h ASN 32 N 2.64 0.00 0.33 -1.43 2.35 -1.89 -2.64 115.58 114.93 1wg6 h ASN 32 Ca 0.34 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.76 1wg6 h ASN 32 Cb 0.80 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.13 1wg6 h ASN 32 CO 0.93 0.44 -1.86 -0.67 -1.65 0.00 0.00 177.43 174.63 1wg6 n ASP 33 N -4.38 1.31 0.00 5.81 2.03 -1.26 -4.22 116.55 115.84 1wg6 n ASP 33 Ca -0.00 0.31 -0.17 0.00 0.52 0.00 0.00 54.79 55.45 1wg6 n ASP 33 Cb 0.02 -0.31 -0.11 0.00 -0.72 0.00 0.00 41.12 39.99 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 0.03 0.50 -0.98 1.67 0.87 -1.83 -3.27 113.55 110.53 1wg6 h SER 34 Ca -0.35 -0.77 0.32 0.00 -1.23 0.00 0.00 61.79 59.75 1wg6 h SER 34 Cb 2.03 -0.15 -0.18 0.00 -0.44 0.00 0.00 62.40 63.65 1wg6 h SER 34 CO 0.08 1.21 0.18 0.61 -0.53 0.00 0.00 176.83 178.38 1wg6 n GLY 35 N 1.09 -1.15 0.37 5.77 0.00 -0.99 0.15 105.19 110.42 1wg6 n GLY 35 Ca -0.10 0.91 -0.08 0.00 0.00 0.00 0.00 46.02 46.75 1wg6 n GLY 35 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wg6 n SER 36 N -5.40 -0.86 -0.04 1.61 7.64 -1.23 -2.10 113.62 113.24 1wg6 n SER 36 Ca 0.28 1.60 -0.22 0.00 1.01 0.00 0.00 58.87 61.54 1wg6 n SER 36 Cb 0.92 -0.25 -0.13 0.00 -1.01 0.00 0.00 64.21 63.74 1wg6 n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wg6 h ALA 37 N 0.67 0.30 0.00 -0.43 0.00 -0.82 -3.51 119.26 115.46 1wg6 h ALA 37 Ca 0.19 -1.24 0.00 0.00 0.00 0.00 0.00 54.91 53.86 1wg6 h ALA 37 Cb 0.42 0.66 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1wg6 h ALA 37 CO -0.86 0.94 0.00 0.41 0.00 0.00 0.00 179.25 179.73 1wg6 n GLY 38 N 1.70 -0.37 0.32 0.00 0.00 0.39 -4.96 105.19 102.27 1wg6 n GLY 38 Ca -0.30 -1.67 -0.10 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.35 0.00 0.99 3.38 -1.87 -3.35 115.31 113.11 1wg6 h LEU 39 Ca 0.00 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1wg6 h LEU 39 Cb 0.00 0.56 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1wg6 h LEU 39 CO 0.00 -0.27 0.00 0.61 0.09 0.00 0.00 178.44 178.87 1wg6 n GLY 40 N -1.25 1.41 3.37 0.83 0.00 -1.26 -4.14 105.19 104.15 1wg6 n GLY 40 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 2.04 0.01 1.61 -7.23 -1.26 -4.22 120.40 109.34 1wg6 s VAL 41 Ca 0.00 -1.99 0.04 0.00 -1.81 0.00 0.00 61.98 58.22 1wg6 s VAL 41 Cb 0.00 -1.97 -0.03 0.00 0.56 0.00 0.00 36.38 34.94 1wg6 s VAL 41 CO 0.00 -0.26 -0.10 -0.55 -0.31 0.00 0.00 175.10 173.88 1wg6 s SER 42 N -2.73 4.40 0.32 4.85 0.15 -1.23 -5.06 113.70 114.39 1wg6 s SER 42 Ca 0.18 -0.21 0.09 0.00 0.70 0.00 0.00 55.95 56.72 1wg6 s SER 42 Cb -0.06 -0.96 -0.06 0.00 -1.71 0.00 0.00 66.02 63.23 1wg6 s SER 42 CO 0.08 0.28 -0.11 -0.76 1.20 0.00 0.00 173.24 173.94 1wg6 s LEU 43 N -1.37 2.66 -0.01 3.45 1.43 -1.26 -0.80 118.68 122.79 1wg6 s LEU 43 Ca 0.16 -1.16 0.02 0.00 -1.03 0.00 0.00 54.13 52.12 1wg6 s LEU 43 Cb -0.11 -0.94 -0.00 0.00 0.03 0.00 0.00 46.19 45.16 1wg6 s LEU 43 CO 0.06 -0.19 -0.08 -1.59 0.23 0.00 0.00 176.35 174.79 1wg6 s LYS 44 N -3.61 0.65 0.04 1.70 0.00 0.01 -4.73 119.74 113.79 1wg6 s LYS 44 Ca 0.31 -0.27 -0.17 0.00 0.00 0.00 0.00 55.97 55.84 1wg6 s LYS 44 Cb 0.01 -0.63 -0.06 0.00 0.00 0.00 0.00 37.83 37.15 1wg6 s LYS 44 CO 0.15 0.16 0.49 0.20 0.00 0.00 0.00 175.35 176.35 1wg6 s GLY 45 N -0.13 2.58 -0.10 0.59 0.00 -1.26 -2.30 107.32 106.69 1wg6 s GLY 45 Ca 0.02 -0.09 0.04 0.00 0.00 0.00 0.00 44.72 44.69 1wg6 s GLY 45 CO -0.00 0.31 -0.23 0.21 0.00 0.00 0.00 173.10 173.39 1wg6 s ASN 46 N -1.08 3.20 0.09 1.64 3.84 -1.20 -5.02 114.94 116.40 1wg6 s ASN 46 Ca 0.26 -0.53 0.07 0.00 0.21 0.00 0.00 52.86 52.88 1wg6 s ASN 46 Cb -0.18 -1.38 -0.04 0.00 -0.55 0.00 0.00 41.25 39.11 1wg6 s ASN 46 CO 0.16 0.17 -0.13 -0.75 -2.79 0.00 0.00 177.10 173.77 1wg6 s LYS 47 N 0.29 2.09 -0.10 0.43 2.20 -1.26 -2.42 119.74 120.96 1wg6 s LYS 47 Ca -0.16 -1.02 0.04 0.00 -0.36 0.00 0.00 55.97 54.47 1wg6 s LYS 47 Cb -0.17 -2.27 0.00 0.00 -1.51 0.00 0.00 37.83 33.88 1wg6 s LYS 47 CO 0.08 0.52 -0.24 -1.12 -0.36 0.00 0.00 175.35 174.23 1wg6 s SER 48 N -2.00 3.10 0.08 1.43 0.01 -1.08 -4.89 113.70 110.34 1wg6 s SER 48 Ca 0.19 -0.56 0.15 0.00 1.31 0.00 0.00 55.95 57.04 1wg6 s SER 48 Cb -0.11 -1.41 -0.13 0.00 0.21 0.00 0.00 66.02 64.58 1wg6 s SER 48 CO 0.11 0.16 0.92 -0.09 0.41 0.00 0.00 173.24 174.74 1wg6 h ARG 49 N 6.73 0.00 0.00 12.44 2.43 -1.95 0.14 114.38 134.17 1wg6 h ARG 49 Ca -0.19 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.94 1wg6 h ARG 49 Cb 1.24 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1wg6 h ARG 49 CO 0.47 0.42 -0.16 1.05 -1.51 0.00 0.00 179.97 180.24 1wg6 h GLU 50 N 0.00 0.00 0.00 0.20 9.09 -1.97 -3.18 114.58 118.71 1wg6 h GLU 50 Ca -0.15 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.03 1wg6 h GLU 50 Cb 1.66 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.72 1wg6 h GLU 50 CO 0.06 0.16 -1.85 0.25 0.05 0.00 0.00 179.01 177.68 1wg6 n THR 51 N -4.22 0.86 -0.92 -1.06 -2.24 -1.25 -5.02 114.28 100.44 1wg6 n THR 51 Ca -0.02 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1wg6 n THR 51 Cb 0.23 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 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 2.59 0.58 0.00 3.38 0.00 0.48 -5.05 105.19 107.18 1wg6 n GLY 52 Ca -0.24 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1wg6 n GLY 52 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wg6 n THR 53 N -2.86 0.00 -3.86 2.61 5.66 -1.13 -4.99 114.28 109.71 1wg6 n THR 53 Ca 0.00 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.65 1wg6 n THR 53 Cb 0.08 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.73 1wg6 n THR 53 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1wg6 s ASP 54 N 0.16 5.05 0.36 1.09 1.47 -1.26 -2.64 116.67 120.89 1wg6 s ASP 54 Ca 0.00 -1.72 0.18 0.00 1.18 0.00 0.00 52.55 52.19 1wg6 s ASP 54 Cb 0.00 -1.76 1.23 0.00 -0.34 0.00 0.00 42.92 42.05 1wg6 s ASP 54 CO 0.00 -0.41 1.62 -0.07 0.68 0.00 0.00 175.17 177.00 1wg6 h LEU 55 N 7.98 0.42 0.00 2.11 3.38 -1.82 -3.47 115.31 123.91 1wg6 h LEU 55 Ca -0.15 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1wg6 h LEU 55 Cb 1.05 0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1wg6 h LEU 55 CO 0.61 -0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.46 1wg6 n GLY 56 N -1.27 0.72 3.41 0.83 0.00 -1.25 -4.94 105.19 102.69 1wg6 n GLY 56 Ca 0.35 -1.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 1wg6 n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wg6 s ILE 57 N -3.66 2.56 -0.00 -0.61 -1.09 -1.26 -3.27 121.20 113.86 1wg6 s ILE 57 Ca 0.00 -1.14 -0.00 0.00 -2.23 0.00 0.00 60.65 57.27 1wg6 s ILE 57 Cb 0.00 -2.02 -0.00 0.00 -1.58 0.00 0.00 42.46 38.86 1wg6 s ILE 57 CO 0.00 0.43 0.01 -0.36 -1.23 0.00 0.00 174.94 173.79 1wg6 s PHE 58 N -0.81 0.01 0.48 3.97 0.40 -0.97 -0.60 117.98 120.46 1wg6 s PHE 58 Ca 0.13 -0.02 -0.23 0.00 -0.60 0.00 0.00 56.93 56.21 1wg6 s PHE 58 Cb -0.10 -0.02 -0.09 0.00 0.51 0.00 0.00 43.02 43.33 1wg6 s PHE 58 CO 0.03 -0.03 1.04 -0.89 0.70 0.00 0.00 175.22 176.07 1wg6 n ILE 59 N 2.90 2.84 -0.14 0.64 5.41 -1.14 -0.81 119.36 129.06 1wg6 n ILE 59 Ca -0.13 -0.50 -0.28 0.00 1.00 0.00 0.00 62.75 62.84 1wg6 n ILE 59 Cb 0.59 -1.23 -0.10 0.00 -0.71 0.00 0.00 39.64 38.19 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 -0.23 0.60 0.00 0.38 4.81 0.02 0.19 118.16 123.93 1wg6 n LYS 60 Ca 0.10 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 1wg6 n LYS 60 Cb 0.42 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.97 1wg6 n LYS 60 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1wg6 n SER 61 N -4.10 0.00 -4.79 3.14 7.64 -1.16 -4.58 113.62 109.77 1wg6 n SER 61 Ca -0.53 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 58.96 1wg6 n SER 61 Cb 0.90 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 64.04 1wg6 n SER 61 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1wg6 s ILE 62 N -0.91 4.49 -0.56 0.44 1.09 -1.26 -3.58 121.20 120.91 1wg6 s ILE 62 Ca 0.00 1.56 -0.18 0.00 -1.10 0.00 0.00 60.65 60.93 1wg6 s ILE 62 Cb 0.00 -4.07 0.10 0.00 -1.06 0.00 0.00 42.46 37.43 1wg6 s ILE 62 CO 0.00 0.53 0.61 -0.63 -0.10 0.00 0.00 174.94 175.35 1wg6 s ILE 63 N -1.10 4.97 0.65 2.92 1.09 -1.26 -5.01 121.20 123.47 1wg6 s ILE 63 Ca 0.34 -1.08 -0.09 0.00 -1.10 0.00 0.00 60.65 58.71 1wg6 s ILE 63 Cb -0.22 -4.39 0.14 0.00 -1.06 0.00 0.00 42.46 36.93 1wg6 s ILE 63 CO 0.24 -0.97 0.33 1.41 -0.10 0.00 0.00 174.94 175.85 1wg6 n HIS 64 N 5.91 -2.24 -2.04 3.97 8.25 -1.26 -3.16 115.22 124.64 1wg6 n HIS 64 Ca -0.11 -0.17 -0.07 0.00 -0.26 0.00 0.00 57.72 57.10 1wg6 n HIS 64 Cb 0.42 -0.74 -0.01 0.00 1.12 0.00 0.00 29.99 30.78 1wg6 n HIS 64 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wg6 n GLY 65 N -1.60 -0.09 0.00 -1.41 0.00 -1.26 -4.84 105.19 95.99 1wg6 n GLY 65 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.50 5.99 0.10 -0.02 0.00 -1.19 -5.05 105.19 104.53 1wg6 n GLY 66 Ca -0.08 -1.66 -0.20 0.00 0.00 0.00 0.00 46.02 44.08 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 0.24 -0.25 4.61 0.00 -1.82 -3.36 119.26 119.68 1wg6 h ALA 67 Ca 0.00 -1.14 0.03 0.00 0.00 0.00 0.00 54.91 53.80 1wg6 h ALA 67 Cb 0.00 0.72 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1wg6 h ALA 67 CO 0.00 0.69 0.17 0.00 0.00 0.00 0.00 179.25 180.11 1wg6 h ALA 68 N -0.55 1.97 -0.84 0.00 0.00 -1.85 -2.40 119.26 115.58 1wg6 h ALA 68 Ca -0.32 -0.01 0.31 0.00 0.00 0.00 0.00 54.91 54.89 1wg6 h ALA 68 Cb 1.22 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.80 1wg6 h ALA 68 CO -0.19 -0.01 0.30 0.34 0.00 0.00 0.00 179.25 179.69 1wg6 n PHE 69 N -4.50 0.82 -0.11 0.00 7.35 -1.26 0.20 117.46 119.97 1wg6 n PHE 69 Ca 0.02 1.00 -0.05 0.00 -0.76 0.00 0.00 57.45 57.66 1wg6 n PHE 69 Cb 0.17 -1.31 0.01 0.00 0.35 0.00 0.00 39.48 38.70 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 -0.07 0.00 -4.13 1.57 -1.66 0.15 116.57 112.43 1wg6 h LYS 70 Ca 0.64 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.43 1wg6 h LYS 70 Cb 1.59 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.92 1wg6 h LYS 70 CO -0.70 -0.05 -0.39 -3.47 -0.57 0.00 0.00 179.45 174.27 1wg6 n ASP 71 N -5.34 0.57 -0.03 0.86 2.03 0.53 -3.92 116.55 111.24 1wg6 n ASP 71 Ca 0.02 0.17 0.21 0.00 0.52 0.00 0.00 54.79 55.71 1wg6 n ASP 71 Cb 0.25 -0.08 0.45 0.00 -0.72 0.00 0.00 41.12 41.02 1wg6 n ASP 71 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1wg6 h GLY 72 N 4.70 0.00 -1.78 0.27 0.00 0.48 -0.26 103.07 106.48 1wg6 h GLY 72 Ca 0.00 0.00 0.52 0.00 0.00 0.00 0.00 47.33 47.85 1wg6 h GLY 72 CO 0.00 0.00 1.28 -0.96 0.00 0.00 0.00 176.54 176.86 1wg6 n ARG 73 N -3.19 0.00 -0.35 4.80 1.85 -1.24 -4.28 116.66 114.26 1wg6 n ARG 73 Ca 0.15 0.97 -0.12 0.00 -1.00 0.00 0.00 57.85 57.85 1wg6 n ARG 73 Cb 1.20 -2.25 0.11 0.00 -1.05 0.00 0.00 32.46 30.47 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 -3.72 0.00 -4.01 2.89 4.77 -0.11 -5.07 117.00 111.74 1wg6 n LEU 74 Ca 0.40 -0.45 -0.16 0.00 -0.03 0.00 0.00 56.01 55.77 1wg6 n LEU 74 Cb 1.82 -0.41 -0.14 0.00 -2.33 0.00 0.00 43.42 42.36 1wg6 n LEU 74 CO 0.40 -1.62 -0.41 0.00 -1.33 0.00 0.00 177.39 174.43 1wg6 s ARG 75 N -3.98 0.56 1.05 3.23 3.03 -1.26 -4.97 118.95 116.61 1wg6 s ARG 75 Ca 0.29 -0.41 -0.18 0.00 2.03 0.00 0.00 55.73 57.46 1wg6 s ARG 75 Cb -0.03 -0.49 0.09 0.00 -1.03 0.00 0.00 34.95 33.48 1wg6 s ARG 75 CO 0.23 0.12 -0.11 0.00 -1.13 0.00 0.00 175.30 174.41 1wg6 n MET 76 N 2.46 -1.62 -1.25 3.89 0.00 -1.26 -3.54 117.12 115.80 1wg6 n MET 76 Ca -0.16 -0.47 -0.09 0.00 0.00 0.00 0.00 57.70 56.99 1wg6 n MET 76 Cb 0.57 -1.49 -0.04 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 -0.65 -4.06 -4.48 3.17 3.02 0.51 -4.84 115.26 107.93 1wg6 n ASN 77 Ca 0.02 0.21 -0.43 0.00 -0.03 0.00 0.00 54.58 54.36 1wg6 n ASN 77 Cb 0.52 -2.32 -0.03 0.00 -0.61 0.00 0.00 39.78 37.34 1wg6 n ASN 77 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1wg6 s ASP 78 N -2.89 6.37 0.16 6.41 1.11 -1.23 -4.71 116.67 121.89 1wg6 s ASP 78 Ca 0.00 -1.37 -0.34 0.00 0.18 0.00 0.00 52.55 51.02 1wg6 s ASP 78 Cb 0.00 -2.45 -0.15 0.00 1.07 0.00 0.00 42.92 41.40 1wg6 s ASP 78 CO 0.00 -1.36 1.40 1.67 1.18 0.00 0.00 175.17 178.06 1wg6 n GLN 79 N 7.64 1.69 -3.23 8.23 7.27 -1.26 -2.89 117.38 134.84 1wg6 n GLN 79 Ca 0.12 0.61 -0.46 0.00 0.07 0.00 0.00 57.00 57.33 1wg6 n GLN 79 Cb 0.48 -2.27 -0.03 0.00 2.41 0.00 0.00 30.24 30.83 1wg6 n GLN 79 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1wg6 s LEU 80 N 0.55 6.18 0.00 1.69 1.02 0.23 -3.69 118.68 124.67 1wg6 s LEU 80 Ca 0.77 -2.23 0.21 0.00 0.02 0.00 0.00 54.13 52.89 1wg6 s LEU 80 Cb -0.77 -2.25 1.12 0.00 0.02 0.00 0.00 46.19 44.30 1wg6 s LEU 80 CO 0.46 -0.79 1.67 2.30 0.02 0.00 0.00 176.35 180.01 1wg6 n ILE 81 N 4.68 0.26 -1.23 -0.59 -5.35 0.11 -4.17 119.36 113.07 1wg6 n ILE 81 Ca 0.07 0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.61 1wg6 n ILE 81 Cb 0.45 -0.72 0.00 0.00 -1.74 0.00 0.00 39.64 37.63 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 -1.21 0.00 -3.23 -1.28 0.00 -1.21 -3.77 120.51 109.82 1wg6 n ALA 82 Ca 0.12 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.59 1wg6 n ALA 82 Cb 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.57 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 -2.40 -0.41 -1.37 0.00 0.11 0.32 -3.41 120.40 113.25 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 5.23 -4.54 0.00 3.54 3.02 0.26 -1.15 115.26 121.62 1wg6 n ASN 84 Ca -0.07 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 1wg6 n ASN 84 Cb 0.53 -3.22 0.00 0.00 -0.61 0.00 0.00 39.78 36.49 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 -1.37 0.65 3.73 7.41 0.00 -1.26 -4.94 105.19 109.41 1wg6 n GLY 85 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.78 4.33 0.65 1.61 2.12 -0.30 -5.06 118.70 121.28 1wg6 s GLU 86 Ca 0.00 0.53 -0.14 0.00 0.36 0.00 0.00 54.97 55.72 1wg6 s GLU 86 Cb 0.00 -3.42 -0.00 0.00 0.26 0.00 0.00 34.13 30.97 1wg6 s GLU 86 CO 0.00 0.19 1.09 -0.08 -0.54 0.00 0.00 175.26 175.92 1wg6 s THR 87 N 0.48 3.46 0.00 -1.70 -1.32 -1.26 0.12 115.64 115.41 1wg6 s THR 87 Ca 0.28 0.65 0.00 0.00 -1.21 0.00 0.00 61.69 61.40 1wg6 s THR 87 Cb -0.16 -3.18 0.00 0.00 -1.51 0.00 0.00 72.50 67.65 1wg6 s THR 87 CO 0.12 -0.45 0.00 0.18 -2.21 0.00 0.00 174.62 172.26 1wg6 n LEU 88 N -2.47 1.23 -0.33 9.08 4.77 -1.25 -4.71 117.00 123.31 1wg6 n LEU 88 Ca 0.10 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.24 1wg6 n LEU 88 Cb 0.52 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 41.97 1wg6 n LEU 88 CO 0.49 0.14 1.13 -0.07 -1.33 0.00 0.00 177.39 177.75 1wg6 h LEU 89 N 0.00 0.59 -2.36 2.23 3.38 -1.78 1.37 115.31 118.74 1wg6 h LEU 89 Ca 0.00 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1wg6 h LEU 89 Cb 0.70 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1wg6 h LEU 89 CO 0.00 0.09 -0.01 1.23 0.09 0.00 0.00 178.44 179.83 1wg6 h GLY 90 N 0.54 0.00 -0.75 0.83 0.00 -1.92 -3.43 103.07 98.34 1wg6 h GLY 90 Ca 0.62 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.72 1wg6 h GLY 90 CO -0.48 0.00 -0.01 0.28 0.00 0.00 0.00 176.54 176.33 1wg6 n LYS 91 N -3.94 0.66 -2.15 4.80 5.02 0.47 -5.10 118.16 117.92 1wg6 n LYS 91 Ca -0.03 -1.47 -0.10 0.00 -2.02 0.00 0.00 58.31 54.69 1wg6 n LYS 91 Cb 0.09 -0.17 0.02 0.00 -0.02 0.00 0.00 35.03 34.95 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 -2.75 1.27 0.15 4.39 7.64 -1.26 -4.81 113.62 118.25 1wg6 n SER 92 Ca 0.08 -1.78 -0.14 0.00 1.01 0.00 0.00 58.87 58.04 1wg6 n SER 92 Cb 0.29 -0.14 -0.08 0.00 -1.01 0.00 0.00 64.21 63.27 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 0.13 -0.26 0.00 6.43 4.21 -1.92 0.14 115.58 124.32 1wg6 h ASN 93 Ca -0.14 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.37 1wg6 h ASN 93 Cb 0.59 0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.86 1wg6 h ASN 93 CO 0.21 -0.17 0.00 0.00 -1.29 0.00 0.00 177.43 176.17 1wg6 n HIS 94 N -5.22 0.00 -0.20 1.19 1.44 -1.26 -1.53 115.22 109.64 1wg6 n HIS 94 Ca -0.09 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.56 1wg6 n HIS 94 Cb 0.15 -0.40 -0.05 0.00 0.12 0.00 0.00 29.99 29.80 1wg6 n HIS 94 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1wg6 n GLU 95 N -1.71 -0.21 -0.02 -1.40 1.02 -1.24 0.84 120.64 117.91 1wg6 n GLU 95 Ca 0.00 1.17 -0.01 0.00 -0.02 0.00 0.00 57.16 58.30 1wg6 n GLU 95 Cb 0.00 -1.73 -0.01 0.00 -0.02 0.00 0.00 31.44 29.68 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 -3.13 -0.04 -0.15 0.62 0.00 0.50 0.19 120.51 118.51 1wg6 n ALA 96 Ca 0.01 0.05 0.28 0.00 0.00 0.00 0.00 53.44 53.78 1wg6 n ALA 96 Cb 0.13 0.46 0.71 0.00 0.00 0.00 0.00 19.45 20.75 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 0.00 0.00 0.00 2.86 -0.12 1.36 114.93 119.03 1wg6 h MET 97 Ca 0.01 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.53 1wg6 h MET 97 Cb 0.02 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1wg6 h MET 97 CO -0.05 0.00 -0.57 1.49 1.06 0.00 0.00 176.91 178.84 1wg6 h GLU 98 N 0.00 0.00 -0.08 1.72 4.81 0.85 -3.16 114.58 118.72 1wg6 h GLU 98 Ca 0.41 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.47 1wg6 h GLU 98 Cb 1.85 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.24 1wg6 h GLU 98 CO -0.00 0.57 -0.60 1.15 -0.73 0.00 0.00 179.01 179.39 1wg6 h THR 99 N 0.00 1.36 0.00 0.32 2.02 0.62 -3.12 112.91 114.10 1wg6 h THR 99 Ca -0.01 -1.93 0.00 0.00 0.77 0.00 0.00 66.41 65.25 1wg6 h THR 99 Cb 1.10 2.25 0.00 0.00 -1.74 0.00 0.00 68.15 69.76 1wg6 h THR 99 CO 0.07 0.58 0.00 -0.11 0.37 0.00 0.00 175.52 176.44 1wg6 n LEU 100 N -4.16 0.00 -0.50 2.58 7.94 -0.81 0.43 117.00 122.49 1wg6 n LEU 100 Ca -0.09 0.80 0.41 0.00 -1.11 0.00 0.00 56.01 56.02 1wg6 n LEU 100 Cb 0.66 -0.30 0.71 0.00 0.53 0.00 0.00 43.42 45.02 1wg6 n LEU 100 CO 0.48 -0.30 1.32 0.08 -1.11 0.00 0.00 177.39 177.86 1wg6 h ARG 101 N 0.00 0.06 0.59 1.96 0.11 -1.70 0.62 114.38 116.02 1wg6 h ARG 101 Ca 0.00 -0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 1wg6 h ARG 101 Cb 0.00 -0.01 0.01 0.00 1.11 0.00 0.00 29.97 31.07 1wg6 h ARG 101 CO 0.00 0.04 -0.28 -0.09 0.10 0.00 0.00 179.97 179.74 1wg6 h ARG 102 N 0.06 -0.76 -0.09 0.08 2.43 -0.48 -1.51 114.38 114.11 1wg6 h ARG 102 Ca 0.81 0.05 0.03 0.00 -0.81 0.00 0.00 59.98 60.06 1wg6 h ARG 102 Cb 2.82 0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 32.54 1wg6 h ARG 102 CO -0.25 -0.51 0.07 0.77 -1.51 0.00 0.00 179.97 178.54 1wg6 h SER 103 N -0.97 0.00 -0.19 -3.80 0.02 0.29 1.21 113.55 110.11 1wg6 h SER 103 Ca -0.08 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.79 1wg6 h SER 103 Cb 0.60 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 1wg6 h SER 103 CO 0.13 0.00 -0.13 0.24 -1.14 0.00 0.00 176.83 175.93 1wg6 h MET 104 N 0.00 0.57 0.00 3.45 2.86 0.22 0.86 114.93 122.90 1wg6 h MET 104 Ca 0.04 -0.18 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 1wg6 h MET 104 Cb 0.18 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1wg6 h MET 104 CO -0.00 0.69 -1.70 0.45 1.06 0.00 0.00 176.91 177.41 1wg6 n SER 105 N -4.18 0.31 -0.06 1.22 2.88 -0.11 -2.84 113.62 110.83 1wg6 n SER 105 Ca 0.01 0.12 -0.06 0.00 -1.33 0.00 0.00 58.87 57.61 1wg6 n SER 105 Cb 0.34 1.34 -0.03 0.00 -0.75 0.00 0.00 64.21 65.11 1wg6 n SER 105 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1wg6 h MET 106 N 0.00 0.00 -0.24 -1.46 2.07 0.16 -3.19 114.93 112.26 1wg6 h MET 106 Ca -0.05 0.00 -0.20 0.00 -2.07 0.00 0.00 59.70 57.38 1wg6 h MET 106 Cb 1.13 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.87 1wg6 h MET 106 CO 0.01 0.23 -0.62 0.93 1.07 0.00 0.00 176.91 178.53 1wg6 h GLU 107 N -1.00 0.85 0.00 1.72 4.39 0.57 -2.70 114.58 118.41 1wg6 h GLU 107 Ca -0.04 -0.59 0.00 0.00 0.34 0.00 0.00 59.36 59.08 1wg6 h GLU 107 Cb 0.43 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1wg6 h GLU 107 CO -0.02 1.21 0.00 0.41 -1.16 0.00 0.00 179.01 179.45 1wg6 n GLY 108 N 0.48 -0.74 0.03 -3.84 0.00 -1.12 0.20 105.19 100.20 1wg6 n GLY 108 Ca -0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 1wg6 n GLY 108 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1wg6 h ASN 109 N 0.00 0.00 0.10 1.61 -1.24 -1.47 -3.13 115.58 111.46 1wg6 h ASN 109 Ca 0.00 0.00 -0.28 0.00 0.71 0.00 0.00 56.30 56.73 1wg6 h ASN 109 Cb 0.14 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.21 1wg6 h ASN 109 CO 0.00 0.27 -1.13 0.16 -1.29 0.00 0.00 177.43 175.45 1wg6 h ILE 110 N -0.38 1.30 0.00 2.57 -2.65 -1.49 -3.39 117.51 113.46 1wg6 h ILE 110 Ca 0.00 -2.37 0.00 0.00 1.03 0.00 0.00 64.86 63.52 1wg6 h ILE 110 Cb 0.17 2.53 0.00 0.00 -2.05 0.00 0.00 36.82 37.47 1wg6 h ILE 110 CO 0.00 0.73 0.00 -1.14 0.03 0.00 0.00 178.15 177.77 1wg6 n ARG 111 N -3.81 0.00 0.00 0.16 3.00 0.53 -5.02 116.66 111.52 1wg6 n ARG 111 Ca -0.12 0.30 0.00 0.00 -0.00 0.00 0.00 57.85 58.03 1wg6 n ARG 111 Cb 0.93 -0.79 0.00 0.00 0.00 0.00 0.00 32.46 32.60 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 1.87 1.26 3.25 5.14 0.00 0.37 -4.89 105.19 112.18 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 -0.45 1.06 -0.01 1.61 -1.94 -1.25 0.20 119.30 118.51 1wg6 s MET 113 Ca 0.00 -1.31 0.01 0.00 -1.71 0.00 0.00 55.69 52.67 1wg6 s MET 113 Cb 0.00 0.31 0.01 0.00 2.01 0.00 0.00 34.83 37.16 1wg6 s MET 113 CO 0.00 -0.35 -0.01 -1.50 -0.01 0.00 0.00 175.02 173.15 1wg6 s ILE 114 N -4.01 0.17 -0.08 2.53 2.07 0.59 -3.90 121.20 118.56 1wg6 s ILE 114 Ca 0.21 -0.03 -0.03 0.00 -1.41 0.00 0.00 60.65 59.39 1wg6 s ILE 114 Cb 0.05 -0.19 -0.04 0.00 0.13 0.00 0.00 42.46 42.42 1wg6 s ILE 114 CO 0.01 0.08 0.07 -1.58 -1.91 0.00 0.00 174.94 171.62 1wg6 s GLN 115 N 0.32 3.17 -0.18 3.50 0.74 -1.26 -1.25 119.66 124.71 1wg6 s GLN 115 Ca -0.03 -0.32 0.01 0.00 0.05 0.00 0.00 55.36 55.07 1wg6 s GLN 115 Cb -0.05 -2.95 0.03 0.00 1.10 0.00 0.00 33.01 31.13 1wg6 s GLN 115 CO -0.01 0.72 -0.17 -0.51 -0.55 0.00 0.00 175.29 174.77 1wg6 s LEU 116 N -1.13 2.16 -0.33 3.68 1.43 -0.69 -0.58 118.68 123.24 1wg6 s LEU 116 Ca 0.16 -0.70 -0.10 0.00 -1.03 0.00 0.00 54.13 52.45 1wg6 s LEU 116 Cb -0.12 -1.39 -0.00 0.00 0.03 0.00 0.00 46.19 44.70 1wg6 s LEU 116 CO 0.06 -0.04 0.18 -0.69 0.23 0.00 0.00 176.35 176.08 1wg6 s VAL 117 N 1.33 4.74 0.30 -1.59 1.01 -1.22 -2.86 120.40 122.11 1wg6 s VAL 117 Ca 0.03 -0.44 0.09 0.00 0.00 0.00 0.00 61.98 61.66 1wg6 s VAL 117 Cb -0.14 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 1wg6 s VAL 117 CO -0.11 0.01 0.10 0.27 0.00 0.00 0.00 175.10 175.37 1wg6 s ILE 118 N 1.63 3.40 -0.09 2.22 -5.25 -1.16 -0.71 121.20 121.24 1wg6 s ILE 118 Ca 0.05 -1.73 -0.00 0.00 -0.99 0.00 0.00 60.65 57.98 1wg6 s ILE 118 Cb -0.17 -2.99 0.02 0.00 2.95 0.00 0.00 42.46 42.27 1wg6 s ILE 118 CO 0.07 -0.28 -0.04 -0.22 -1.79 0.00 0.00 174.94 172.68 1wg6 s LEU 119 N -3.79 0.99 -0.15 0.37 1.98 -1.24 -2.95 118.68 113.89 1wg6 s LEU 119 Ca 0.35 -0.19 -0.03 0.00 -2.89 0.00 0.00 54.13 51.36 1wg6 s LEU 119 Cb -0.05 -0.63 0.05 0.00 0.66 0.00 0.00 46.19 46.22 1wg6 s LEU 119 CO 0.22 -0.13 0.05 -0.60 -1.89 0.00 0.00 176.35 174.00 1wg6 s ARG 120 N 1.66 0.36 1.04 1.98 3.52 -0.76 -4.74 118.95 122.01 1wg6 s ARG 120 Ca 0.02 -0.12 -0.21 0.00 -0.13 0.00 0.00 55.73 55.29 1wg6 s ARG 120 Cb -0.13 -1.64 -0.06 0.00 -1.56 0.00 0.00 34.95 31.57 1wg6 s ARG 120 CO -0.05 -0.56 -0.66 0.54 -0.81 0.00 0.00 175.30 173.76 1wg6 n ARG 121 N 5.17 -0.59 0.09 5.12 1.74 -1.26 -2.54 116.66 124.39 1wg6 n ARG 121 Ca -0.07 -0.16 -0.13 0.00 -0.77 0.00 0.00 57.85 56.72 1wg6 n ARG 121 Cb 0.49 -1.35 -0.08 0.00 -1.02 0.00 0.00 32.46 30.50 1wg6 n ARG 121 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1wg6 h SER 122 N -1.44 -1.24 -4.04 0.55 0.87 -1.92 -3.43 113.55 102.89 1wg6 h SER 122 Ca -0.45 0.13 -0.16 0.00 -1.23 0.00 0.00 61.79 60.07 1wg6 h SER 122 Cb 1.36 0.46 -0.25 0.00 -0.44 0.00 0.00 62.40 63.53 1wg6 h SER 122 CO 0.29 -0.44 -0.44 -0.83 -0.53 0.00 0.00 176.83 174.89 1wg6 s GLY 123 N -1.94 -0.15 -0.79 5.77 0.00 -1.26 -5.04 107.32 103.91 1wg6 s GLY 123 Ca -0.13 0.54 -0.06 0.00 0.00 0.00 0.00 44.72 45.07 1wg6 s GLY 123 CO 0.47 0.44 2.61 -1.55 0.00 0.00 0.00 173.10 175.06 1wg6 n PRO 124 N 2.65 2.32 -3.54 2.90 -0.04 -1.26 -4.67 135.00 133.36 1wg6 n PRO 124 Ca -0.15 -1.41 -0.37 0.00 -0.04 0.00 0.00 63.50 61.54 1wg6 n PRO 124 Cb 0.58 -2.34 0.03 0.00 -0.04 0.00 0.00 33.50 31.73 1wg6 n PRO 124 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wg6 n SER 125 N 3.47 -5.25 -4.16 3.54 2.88 -1.26 -4.96 113.62 107.89 1wg6 n SER 125 Ca 0.50 -0.32 -0.29 0.00 -1.33 0.00 0.00 58.87 57.43 1wg6 n SER 125 Cb 0.36 -1.57 -0.17 0.00 -0.75 0.00 0.00 64.21 62.08 1wg6 n SER 125 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wg6 s SER 126 N -1.73 2.53 0.00 -3.46 0.01 -1.26 -5.30 113.70 104.49 1wg6 s SER 126 Ca 0.31 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.13 1wg6 s SER 126 Cb -0.03 -0.97 0.00 0.00 0.21 0.00 0.00 66.02 65.23 1wg6 s SER 126 CO 0.87 0.14 0.00 0.61 0.41 0.00 0.00 173.24 175.27