#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg6 s SER 2 N 0.00 6.25 0.05 1.61 0.15 -1.26 -5.08 113.70 115.42 1wg6 s SER 2 Ca 0.00 0.28 0.09 0.00 0.70 0.00 0.00 55.95 57.02 1wg6 s SER 2 Cb 0.00 -2.14 -0.03 0.00 -1.71 0.00 0.00 66.02 62.14 1wg6 s SER 2 CO 0.00 0.06 -0.24 -0.55 1.20 0.00 0.00 173.24 173.70 1wg6 s SER 3 N 0.84 2.94 0.00 5.45 0.15 -1.26 -5.11 113.70 116.72 1wg6 s SER 3 Ca 0.11 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.19 1wg6 s SER 3 Cb -0.13 -0.26 0.00 0.00 -1.71 0.00 0.00 66.02 63.92 1wg6 s SER 3 CO 0.04 0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.31 1wg6 n GLY 4 N 1.76 -0.15 2.76 9.45 0.00 -1.26 -4.75 105.19 113.00 1wg6 n GLY 4 Ca -0.17 0.78 -0.03 0.00 0.00 0.00 0.00 46.02 46.60 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 -0.82 0.00 1.61 0.15 -1.26 -4.99 113.70 108.39 1wg6 s SER 5 Ca 0.00 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 55.79 1wg6 s SER 5 Cb 0.00 1.07 0.00 0.00 -1.71 0.00 0.00 66.02 65.38 1wg6 s SER 5 CO 0.00 -0.04 0.00 -0.24 1.20 0.00 0.00 173.24 174.16 1wg6 n SER 6 N 3.01 0.00 -4.37 5.45 2.88 -1.26 -4.90 113.62 114.44 1wg6 n SER 6 Ca 0.13 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.35 1wg6 n SER 6 Cb 0.61 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.22 1wg6 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg6 n GLY 7 N 0.00 -2.16 0.45 0.46 0.00 -1.26 -4.92 105.19 97.76 1wg6 n GLY 7 Ca 0.00 -0.79 -0.18 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.85 -0.97 -5.00 0.99 3.38 -2.00 -3.44 115.31 106.42 1wg6 h LEU 8 Ca -0.49 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.39 1wg6 h LEU 8 Cb 1.32 0.25 -0.13 0.00 0.09 0.00 0.00 40.66 42.19 1wg6 h LEU 8 CO 0.37 -0.70 -0.17 1.17 0.09 0.00 0.00 178.44 179.20 1wg6 n LYS 9 N -5.09 0.38 0.00 1.13 4.81 -1.26 -4.94 118.16 113.18 1wg6 n LYS 9 Ca -0.14 -1.07 0.00 0.00 -0.87 0.00 0.00 58.31 56.23 1wg6 n LYS 9 Cb 0.45 -0.60 0.00 0.00 0.02 0.00 0.00 35.03 34.91 1wg6 n LYS 9 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wg6 n GLY 10 N 1.24 2.01 3.63 3.14 0.00 -1.26 -4.81 105.19 109.14 1wg6 n GLY 10 Ca 0.02 -0.14 -0.06 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 0.28 -0.07 1.61 2.02 -1.26 -5.08 118.70 116.20 1wg6 s GLU 11 Ca 0.00 0.20 -0.16 0.00 0.02 0.00 0.00 54.97 55.04 1wg6 s GLU 11 Cb 0.00 0.13 -0.11 0.00 0.10 0.00 0.00 34.13 34.25 1wg6 s GLU 11 CO 0.00 -0.06 0.61 -1.00 0.02 0.00 0.00 175.26 174.83 1wg6 h PRO 12 N 3.05 -0.22 0.00 0.39 0.13 -2.03 -3.47 132.00 129.86 1wg6 h PRO 12 Ca -0.21 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1wg6 h PRO 12 Cb 1.18 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1wg6 h PRO 12 CO 0.20 0.11 0.00 -3.47 -0.23 0.00 0.00 178.00 174.61 1wg6 n ASP 13 N -4.91 0.00 0.00 1.44 2.03 -1.26 -4.79 116.55 109.06 1wg6 n ASP 13 Ca -0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.25 1wg6 n ASP 13 Cb 0.22 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 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 0.00 3.40 -0.17 0.00 6.14 -1.26 -5.08 117.35 120.37 1wg6 s TYR 15 Ca 0.00 1.29 -0.15 0.00 0.64 0.00 0.00 57.07 58.85 1wg6 s TYR 15 Cb 0.00 -2.62 0.05 0.00 0.42 0.00 0.00 41.96 39.81 1wg6 s TYR 15 CO 0.00 -0.08 0.46 0.00 0.64 0.00 0.00 175.55 176.57 1wg6 s ALA 16 N -2.24 -1.14 -0.27 3.97 0.00 -1.26 -5.14 121.76 115.68 1wg6 s ALA 16 Ca 0.56 1.34 -0.09 0.00 0.00 0.00 0.00 51.96 53.77 1wg6 s ALA 16 Cb -0.10 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 1wg6 s ALA 16 CO 0.23 -0.23 0.14 -0.51 0.00 0.00 0.00 175.76 175.39 1wg6 s LEU 17 N 0.40 3.78 0.04 0.00 1.43 -1.26 -4.92 118.68 118.15 1wg6 s LEU 17 Ca -0.01 -0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 1wg6 s LEU 17 Cb -0.04 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 1wg6 s LEU 17 CO -0.01 -0.05 -0.04 -0.24 0.23 0.00 0.00 176.35 176.24 1wg6 n SER 18 N 5.00 0.98 -4.83 2.29 2.88 -1.26 -5.04 113.62 113.64 1wg6 n SER 18 Ca -0.15 0.13 -0.37 0.00 -1.33 0.00 0.00 58.87 57.16 1wg6 n SER 18 Cb 0.52 -0.32 -0.06 0.00 -0.75 0.00 0.00 64.21 63.60 1wg6 n SER 18 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1wg6 s LEU 19 N -6.88 4.40 -0.23 2.46 1.43 -1.26 -5.06 118.68 113.54 1wg6 s LEU 19 Ca -0.04 1.23 -0.04 0.00 -1.03 0.00 0.00 54.13 54.25 1wg6 s LEU 19 Cb 0.01 -3.23 0.00 0.00 0.03 0.00 0.00 46.19 43.00 1wg6 s LEU 19 CO 0.05 0.14 -0.04 -0.70 0.23 0.00 0.00 176.35 176.03 1wg6 s GLU 20 N -1.69 3.24 0.16 1.70 2.56 -1.26 -5.10 118.70 118.31 1wg6 s GLU 20 Ca 0.36 -0.72 0.06 0.00 0.00 0.00 0.00 54.97 54.68 1wg6 s GLU 20 Cb -0.17 -3.02 -0.04 0.00 2.00 0.00 0.00 34.13 32.90 1wg6 s GLU 20 CO 0.20 -0.26 0.07 -1.12 -0.56 0.00 0.00 175.26 173.59 1wg6 s SER 21 N 1.45 5.20 0.65 -1.70 0.01 -1.26 -5.12 113.70 112.92 1wg6 s SER 21 Ca 0.05 -0.23 -0.06 0.00 1.31 0.00 0.00 55.95 57.01 1wg6 s SER 21 Cb -0.15 -1.26 0.04 0.00 0.21 0.00 0.00 66.02 64.85 1wg6 s SER 21 CO -0.03 0.09 0.95 -0.44 0.41 0.00 0.00 173.24 174.21 1wg6 s SER 22 N -2.98 5.19 -0.17 2.44 0.01 -1.26 -4.52 113.70 112.40 1wg6 s SER 22 Ca 0.29 0.55 -0.03 0.00 1.31 0.00 0.00 55.95 58.07 1wg6 s SER 22 Cb -0.10 -1.37 -0.02 0.00 0.21 0.00 0.00 66.02 64.75 1wg6 s SER 22 CO 0.21 -1.33 -0.06 -1.61 0.41 0.00 0.00 173.24 170.86 1wg6 s GLU 23 N -5.11 3.49 -0.03 12.44 0.41 0.63 -4.96 118.70 125.56 1wg6 s GLU 23 Ca 0.57 -0.60 0.05 0.00 -0.41 0.00 0.00 54.97 54.58 1wg6 s GLU 23 Cb -0.11 -2.89 -0.02 0.00 -1.78 0.00 0.00 34.13 29.33 1wg6 s GLU 23 CO 0.45 0.06 -0.18 -1.14 -0.49 0.00 0.00 175.26 173.96 1wg6 s GLN 24 N 0.80 2.36 -0.19 1.61 -0.44 -1.26 0.52 119.66 123.07 1wg6 s GLN 24 Ca -0.02 -0.78 0.00 0.00 -2.50 0.00 0.00 55.36 52.06 1wg6 s GLN 24 Cb -0.15 -2.27 0.04 0.00 -1.64 0.00 0.00 33.01 28.99 1wg6 s GLN 24 CO 0.02 0.60 -0.08 -0.51 0.50 0.00 0.00 175.29 175.82 1wg6 s LEU 25 N -0.76 1.97 -0.39 3.68 1.43 -0.82 -4.99 118.68 118.80 1wg6 s LEU 25 Ca 0.11 -0.80 -0.14 0.00 -1.03 0.00 0.00 54.13 52.27 1wg6 s LEU 25 Cb -0.10 -1.07 0.01 0.00 0.03 0.00 0.00 46.19 45.05 1wg6 s LEU 25 CO 0.01 -0.17 0.28 -0.89 0.23 0.00 0.00 176.35 175.80 1wg6 s THR 26 N 1.51 5.23 -0.16 5.49 2.01 -1.26 -1.74 115.64 126.72 1wg6 s THR 26 Ca -0.01 -0.53 -0.01 0.00 0.31 0.00 0.00 61.69 61.45 1wg6 s THR 26 Cb -0.16 -3.85 -0.01 0.00 0.01 0.00 0.00 72.50 68.50 1wg6 s THR 26 CO -0.08 -0.21 -0.11 -0.76 -0.69 0.00 0.00 174.62 172.77 1wg6 s LEU 27 N 1.69 2.73 -0.15 4.42 2.01 -0.40 -4.97 118.68 124.01 1wg6 s LEU 27 Ca 0.05 -0.38 -0.07 0.00 0.01 0.00 0.00 54.13 53.74 1wg6 s LEU 27 Cb -0.19 -1.64 -0.04 0.00 0.01 0.00 0.00 46.19 44.33 1wg6 s LEU 27 CO 0.10 0.09 0.11 -1.61 1.01 0.00 0.00 176.35 176.05 1wg6 s GLU 28 N 0.81 3.67 -0.12 1.70 0.41 -1.26 -0.41 118.70 123.49 1wg6 s GLU 28 Ca -0.04 -0.21 0.01 0.00 -0.41 0.00 0.00 54.97 54.32 1wg6 s GLU 28 Cb -0.15 -3.22 0.02 0.00 -1.78 0.00 0.00 34.13 29.00 1wg6 s GLU 28 CO 0.01 0.58 -0.13 0.42 -0.49 0.00 0.00 175.26 175.65 1wg6 s ILE 29 N -0.45 1.39 0.42 -1.63 1.09 0.51 -4.92 121.20 117.61 1wg6 s ILE 29 Ca 0.11 -0.54 -0.23 0.00 -1.10 0.00 0.00 60.65 58.89 1wg6 s ILE 29 Cb -0.12 -1.31 -0.09 0.00 -1.06 0.00 0.00 42.46 39.88 1wg6 s ILE 29 CO 0.02 0.42 1.05 -2.16 -0.10 0.00 0.00 174.94 174.17 1wg6 s PRO 30 N 1.35 4.08 -0.42 2.79 0.04 -1.26 0.10 135.00 141.68 1wg6 s PRO 30 Ca 0.00 1.49 0.09 0.00 0.04 0.00 0.00 61.00 62.63 1wg6 s PRO 30 Cb -0.14 -2.45 0.42 0.00 0.04 0.00 0.00 34.50 32.38 1wg6 s PRO 30 CO -0.07 -0.21 1.03 1.28 0.04 0.00 0.00 177.00 179.07 1wg6 n LEU 31 N -0.26 3.54 -0.06 -3.56 4.77 0.27 -4.76 117.00 116.93 1wg6 n LEU 31 Ca 0.06 -4.83 -0.04 0.00 -0.03 0.00 0.00 56.01 51.17 1wg6 n LEU 31 Cb 0.50 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.42 1wg6 n LEU 31 CO 0.44 2.06 -0.33 0.59 -1.33 0.00 0.00 177.39 178.82 1wg6 n ASN 32 N -0.29 1.46 -0.03 -1.43 3.02 -1.20 -2.63 115.26 114.15 1wg6 n ASN 32 Ca 0.29 0.50 -0.15 0.00 -0.03 0.00 0.00 54.58 55.19 1wg6 n ASN 32 Cb 0.68 -0.78 -0.11 0.00 -0.61 0.00 0.00 39.78 38.96 1wg6 n ASN 32 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1wg6 h ASP 33 N -0.80 0.15 1.57 6.41 3.32 -1.93 -3.23 116.42 121.92 1wg6 h ASP 33 Ca 0.00 -0.77 -0.02 0.00 0.02 0.00 0.00 57.03 56.27 1wg6 h ASP 33 Cb 0.49 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 1wg6 h ASP 33 CO 0.00 0.90 -0.07 -1.28 -1.72 0.00 0.00 179.24 177.06 1wg6 h SER 34 N -0.58 0.00 -0.87 6.45 0.87 -1.86 -3.29 113.55 114.27 1wg6 h SER 34 Ca -0.02 0.00 0.36 0.00 -1.23 0.00 0.00 61.79 60.90 1wg6 h SER 34 Cb 0.92 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.74 1wg6 h SER 34 CO 0.03 0.07 0.49 0.61 -0.53 0.00 0.00 176.83 177.51 1wg6 n GLY 35 N 0.73 -0.63 0.41 5.77 0.00 -1.08 0.18 105.19 110.56 1wg6 n GLY 35 Ca 0.02 0.67 -0.14 0.00 0.00 0.00 0.00 46.02 46.57 1wg6 n GLY 35 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wg6 h SER 36 N 0.00 -1.21 0.00 1.61 0.02 -1.76 -3.24 113.55 108.98 1wg6 h SER 36 Ca 0.71 0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.77 1wg6 h SER 36 Cb 1.94 0.45 -0.00 0.00 0.14 0.00 0.00 62.40 64.93 1wg6 h SER 36 CO -0.61 -0.48 -0.18 0.00 -1.14 0.00 0.00 176.83 174.42 1wg6 h ALA 37 N -0.14 0.03 0.00 3.77 0.00 0.46 -3.51 119.26 119.87 1wg6 h ALA 37 Ca 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1wg6 h ALA 37 Cb 0.67 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1wg6 h ALA 37 CO -0.24 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.53 1wg6 n GLY 38 N 1.63 0.75 0.04 0.00 0.00 0.49 -4.90 105.19 103.20 1wg6 n GLY 38 Ca -0.10 -2.13 -0.01 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.20 -0.49 0.99 3.38 -1.92 -3.43 115.31 113.65 1wg6 h LEU 39 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1wg6 h LEU 39 Cb 0.00 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1wg6 h LEU 39 CO 0.00 -0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.12 1wg6 n GLY 40 N -1.02 0.63 3.12 0.83 0.00 -1.26 -3.73 105.19 103.75 1wg6 n GLY 40 Ca 0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 1wg6 n GLY 40 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wg6 s VAL 41 N -1.68 0.13 -0.10 1.61 -7.23 -1.26 -4.26 120.40 107.62 1wg6 s VAL 41 Ca 0.00 -1.08 0.02 0.00 -1.81 0.00 0.00 61.98 59.11 1wg6 s VAL 41 Cb 0.00 -0.91 -0.02 0.00 0.56 0.00 0.00 36.38 36.02 1wg6 s VAL 41 CO 0.00 -0.59 -0.16 -0.55 -0.31 0.00 0.00 175.10 173.49 1wg6 s SER 42 N -2.14 3.84 0.50 4.85 0.15 -1.25 -5.07 113.70 114.58 1wg6 s SER 42 Ca -0.05 -0.33 0.04 0.00 0.70 0.00 0.00 55.95 56.31 1wg6 s SER 42 Cb -0.01 -1.32 -0.01 0.00 -1.71 0.00 0.00 66.02 62.97 1wg6 s SER 42 CO -0.05 0.22 0.14 -0.76 1.20 0.00 0.00 173.24 173.99 1wg6 s LEU 43 N 0.02 2.57 0.01 3.45 1.43 -1.26 -0.44 118.68 124.47 1wg6 s LEU 43 Ca -0.05 -1.44 0.02 0.00 -1.03 0.00 0.00 54.13 51.63 1wg6 s LEU 43 Cb -0.15 -0.97 -0.01 0.00 0.03 0.00 0.00 46.19 45.09 1wg6 s LEU 43 CO 0.04 -0.84 -0.06 -1.59 0.23 0.00 0.00 176.35 174.14 1wg6 s LYS 44 N -3.98 0.42 -0.29 1.70 -2.85 0.50 -4.67 119.74 110.57 1wg6 s LYS 44 Ca 0.21 -0.37 -0.14 0.00 -1.00 0.00 0.00 55.97 54.67 1wg6 s LYS 44 Cb 0.02 -0.32 -0.03 0.00 -2.06 0.00 0.00 37.83 35.43 1wg6 s LYS 44 CO 0.12 0.08 0.32 0.20 0.10 0.00 0.00 175.35 176.17 1wg6 s GLY 45 N -0.64 1.90 -0.15 0.59 0.00 -1.26 -0.01 107.32 107.75 1wg6 s GLY 45 Ca -0.03 -0.99 -0.13 0.00 0.00 0.00 0.00 44.72 43.57 1wg6 s GLY 45 CO -0.00 0.90 0.26 0.21 0.00 0.00 0.00 173.10 174.47 1wg6 s ASN 46 N 1.70 6.43 0.17 1.64 3.84 -1.24 -5.00 114.94 122.48 1wg6 s ASN 46 Ca 0.12 0.51 0.10 0.00 0.21 0.00 0.00 52.86 53.80 1wg6 s ASN 46 Cb -0.16 -2.16 -0.04 0.00 -0.55 0.00 0.00 41.25 38.33 1wg6 s ASN 46 CO 0.11 0.16 -0.22 -0.75 -2.79 0.00 0.00 177.10 173.61 1wg6 s LYS 47 N 0.15 1.41 0.06 0.43 2.20 -1.26 -0.59 119.74 122.14 1wg6 s LYS 47 Ca 0.16 -1.45 0.08 0.00 -0.36 0.00 0.00 55.97 54.39 1wg6 s LYS 47 Cb -0.13 -1.66 -0.03 0.00 -1.51 0.00 0.00 37.83 34.49 1wg6 s LYS 47 CO 0.04 0.36 -0.19 -1.12 -0.36 0.00 0.00 175.35 174.07 1wg6 s SER 48 N -2.57 3.72 -0.18 1.43 0.01 -1.03 -4.81 113.70 110.27 1wg6 s SER 48 Ca 0.18 -0.48 -0.19 0.00 1.31 0.00 0.00 55.95 56.77 1wg6 s SER 48 Cb -0.08 -0.55 -0.21 0.00 0.21 0.00 0.00 66.02 65.39 1wg6 s SER 48 CO 0.08 0.24 0.30 -0.09 0.41 0.00 0.00 173.24 174.18 1wg6 h ARG 49 N 4.41 0.06 -0.03 12.44 2.43 -1.94 -2.76 114.38 129.00 1wg6 h ARG 49 Ca -0.48 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 58.59 1wg6 h ARG 49 Cb 1.16 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 1wg6 h ARG 49 CO 0.47 1.05 -0.17 0.93 -1.51 0.00 0.00 179.97 180.74 1wg6 h GLU 50 N -0.78 -0.18 0.00 0.20 4.39 -1.96 -0.56 114.58 115.68 1wg6 h GLU 50 Ca -0.34 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.37 1wg6 h GLU 50 Cb 1.44 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 30.13 1wg6 h GLU 50 CO -0.13 -0.12 -0.00 0.00 -1.16 0.00 0.00 179.01 177.59 1wg6 h THR 51 N -0.19 0.01 -3.63 1.13 1.03 -2.01 -3.46 112.91 105.79 1wg6 h THR 51 Ca 0.01 -0.39 -0.41 0.00 -0.01 0.00 0.00 66.41 65.61 1wg6 h THR 51 Cb 0.21 1.38 0.01 0.00 -1.07 0.00 0.00 68.15 68.69 1wg6 h THR 51 CO -0.13 0.00 -0.55 0.61 -0.01 0.00 0.00 175.52 175.45 1wg6 n GLY 52 N -0.25 -0.51 3.02 2.99 0.00 -0.22 -4.97 105.19 105.25 1wg6 n GLY 52 Ca -0.00 0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.07 0.15 0.28 2.61 2.01 -1.15 -4.98 115.64 111.49 1wg6 s THR 53 Ca 0.12 -1.20 -0.30 0.00 0.31 0.00 0.00 61.69 60.62 1wg6 s THR 53 Cb -0.05 -0.67 -0.12 0.00 0.01 0.00 0.00 72.50 71.67 1wg6 s THR 53 CO 0.14 -0.66 1.52 0.47 -0.69 0.00 0.00 174.62 175.40 1wg6 n ASP 54 N 1.11 3.45 0.00 3.53 9.92 -1.26 -2.47 116.55 130.84 1wg6 n ASP 54 Ca -0.21 1.15 -0.17 0.00 -0.53 0.00 0.00 54.79 55.03 1wg6 n ASP 54 Cb 0.57 -1.54 -0.12 0.00 -0.64 0.00 0.00 41.12 39.39 1wg6 n ASP 54 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1wg6 h LEU 55 N 4.38 0.41 0.00 0.64 3.38 -1.16 -3.46 115.31 119.50 1wg6 h LEU 55 Ca -0.46 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 56.68 1wg6 h LEU 55 Cb 1.24 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1wg6 h LEU 55 CO 0.76 1.19 0.00 0.61 0.09 0.00 0.00 178.44 181.09 1wg6 n GLY 56 N 1.23 -0.45 3.03 0.83 0.00 -1.17 -4.94 105.19 103.71 1wg6 n GLY 56 Ca -0.11 -0.29 -0.16 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.33 0.62 -0.03 -0.61 -1.09 -1.26 -3.61 121.20 113.89 1wg6 s ILE 57 Ca 0.00 -0.60 0.01 0.00 -2.23 0.00 0.00 60.65 57.83 1wg6 s ILE 57 Cb 0.00 -0.57 0.02 0.00 -1.58 0.00 0.00 42.46 40.32 1wg6 s ILE 57 CO 0.00 -0.01 -0.03 -0.36 -1.23 0.00 0.00 174.94 173.31 1wg6 s PHE 58 N -0.57 0.53 0.56 3.97 0.40 0.99 -1.38 117.98 122.48 1wg6 s PHE 58 Ca -0.01 -0.11 -0.21 0.00 -0.60 0.00 0.00 56.93 56.00 1wg6 s PHE 58 Cb -0.05 -0.49 -0.05 0.00 0.51 0.00 0.00 43.02 42.94 1wg6 s PHE 58 CO 0.00 -0.13 1.33 -0.89 0.70 0.00 0.00 175.22 176.23 1wg6 n ILE 59 N 3.82 3.95 -0.12 0.64 5.41 -1.18 0.19 119.36 132.07 1wg6 n ILE 59 Ca -0.23 -0.50 -0.23 0.00 1.00 0.00 0.00 62.75 62.78 1wg6 n ILE 59 Cb 0.52 -1.61 -0.08 0.00 -0.71 0.00 0.00 39.64 37.76 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 -1.10 0.57 -3.61 0.38 4.81 0.42 0.17 118.16 119.79 1wg6 n LYS 60 Ca 0.11 0.27 -0.02 0.00 -0.87 0.00 0.00 58.31 57.79 1wg6 n LYS 60 Cb 0.45 -1.49 -0.01 0.00 0.02 0.00 0.00 35.03 34.00 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 -6.99 -0.13 -0.18 3.14 1.04 -1.13 -4.57 113.70 104.88 1wg6 s SER 61 Ca -0.35 -0.09 -0.04 0.00 0.48 0.00 0.00 55.95 55.94 1wg6 s SER 61 Cb 0.11 0.21 -0.03 0.00 0.10 0.00 0.00 66.02 66.42 1wg6 s SER 61 CO 0.47 -0.37 -0.02 -0.63 0.98 0.00 0.00 173.24 173.68 1wg6 s ILE 62 N -2.58 3.93 -0.40 -1.02 1.09 -1.26 -3.82 121.20 117.13 1wg6 s ILE 62 Ca 0.11 -0.33 -0.24 0.00 -1.10 0.00 0.00 60.65 59.09 1wg6 s ILE 62 Cb 0.01 -2.75 0.02 0.00 -1.06 0.00 0.00 42.46 38.68 1wg6 s ILE 62 CO -0.04 0.46 0.82 -0.63 -0.10 0.00 0.00 174.94 175.45 1wg6 s ILE 63 N 0.69 4.66 0.97 2.92 1.09 -1.26 -4.95 121.20 125.32 1wg6 s ILE 63 Ca -0.01 0.75 -0.12 0.00 -1.10 0.00 0.00 60.65 60.18 1wg6 s ILE 63 Cb -0.14 -4.29 0.17 0.00 -1.06 0.00 0.00 42.46 37.15 1wg6 s ILE 63 CO 0.02 -0.58 1.09 -2.28 -0.10 0.00 0.00 174.94 173.08 1wg6 s HIS 64 N 3.28 1.93 -0.34 3.97 5.65 -1.26 -3.28 115.29 125.24 1wg6 s HIS 64 Ca 0.32 1.33 0.00 0.00 0.25 0.00 0.00 55.06 56.97 1wg6 s HIS 64 Cb -0.12 -3.18 0.00 0.00 -1.18 0.00 0.00 32.58 28.10 1wg6 s HIS 64 CO 0.20 -2.87 0.00 0.41 -0.65 0.00 0.00 174.74 171.83 1wg6 n GLY 65 N -0.38 0.56 0.00 1.59 0.00 -1.26 -4.93 105.19 100.77 1wg6 n GLY 65 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.41 7.37 0.14 -0.02 0.00 -1.21 -5.03 105.19 105.02 1wg6 n GLY 66 Ca -0.03 -2.02 -0.21 0.00 0.00 0.00 0.00 46.02 43.75 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 0.22 -0.19 4.61 0.00 -1.83 -3.31 119.26 119.75 1wg6 h ALA 67 Ca 0.00 -1.16 -0.06 0.00 0.00 0.00 0.00 54.91 53.69 1wg6 h ALA 67 Cb 0.00 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1wg6 h ALA 67 CO 0.00 1.09 -0.15 0.00 0.00 0.00 0.00 179.25 180.19 1wg6 h ALA 68 N 0.22 1.40 -0.99 0.00 0.00 -1.83 -2.74 119.26 115.32 1wg6 h ALA 68 Ca -0.33 -0.24 0.36 0.00 0.00 0.00 0.00 54.91 54.70 1wg6 h ALA 68 Cb 2.08 -0.10 -0.16 0.00 0.00 0.00 0.00 17.79 19.60 1wg6 h ALA 68 CO 0.17 0.41 0.51 0.35 0.00 0.00 0.00 179.25 180.69 1wg6 h PHE 69 N 0.29 0.80 -0.79 0.00 3.57 -1.65 1.87 116.94 121.02 1wg6 h PHE 69 Ca 0.06 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.66 1wg6 h PHE 69 Cb 0.44 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 38.94 1wg6 h PHE 69 CO 0.01 -0.33 0.47 0.87 -2.23 0.00 0.00 178.31 177.10 1wg6 h LYS 70 N 0.15 0.83 0.00 1.11 1.57 -1.68 0.40 116.57 118.95 1wg6 h LYS 70 Ca 0.77 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.50 1wg6 h LYS 70 Cb 1.89 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 34.01 1wg6 h LYS 70 CO -0.70 0.55 -0.56 -3.47 -0.57 0.00 0.00 179.45 174.70 1wg6 n ASP 71 N -4.69 0.62 -0.62 0.86 2.03 0.52 -4.10 116.55 111.17 1wg6 n ASP 71 Ca 0.11 0.06 0.47 0.00 0.52 0.00 0.00 54.79 55.95 1wg6 n ASP 71 Cb 0.19 0.13 0.72 0.00 -0.72 0.00 0.00 41.12 41.45 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 1.38 -0.88 0.65 0.27 0.00 0.49 0.10 105.19 107.20 1wg6 n GLY 72 Ca 0.04 0.61 0.49 0.00 0.00 0.00 0.00 46.02 47.15 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 -0.31 1.61 1.85 -1.26 -4.30 116.66 110.57 1wg6 n ARG 73 Ca 0.39 0.99 -0.16 0.00 -1.00 0.00 0.00 57.85 58.07 1wg6 n ARG 73 Cb 1.79 -2.28 0.15 0.00 -1.05 0.00 0.00 32.46 31.06 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 -3.78 0.00 -3.87 2.89 4.77 0.12 -5.05 117.00 112.07 1wg6 n LEU 74 Ca 0.41 -0.54 -0.20 0.00 -0.03 0.00 0.00 56.01 55.65 1wg6 n LEU 74 Cb 1.84 -0.53 -0.16 0.00 -2.33 0.00 0.00 43.42 42.23 1wg6 n LEU 74 CO 0.40 -1.96 -0.40 -0.13 -1.33 0.00 0.00 177.39 173.97 1wg6 s ARG 75 N -4.21 0.76 1.03 3.23 1.81 -1.26 -5.01 118.95 115.29 1wg6 s ARG 75 Ca 0.37 -0.07 -0.23 0.00 -1.72 0.00 0.00 55.73 54.08 1wg6 s ARG 75 Cb -0.05 -0.82 -0.11 0.00 -0.45 0.00 0.00 34.95 33.52 1wg6 s ARG 75 CO 0.30 -0.11 -0.98 0.00 -0.68 0.00 0.00 175.30 173.83 1wg6 n MET 76 N 4.15 -0.39 -1.54 3.54 0.00 -1.26 -3.23 117.12 118.39 1wg6 n MET 76 Ca -0.23 -0.11 -0.10 0.00 0.00 0.00 0.00 57.70 57.26 1wg6 n MET 76 Cb 0.51 -1.21 -0.03 0.00 0.00 0.00 0.00 33.22 32.49 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 2.05 -3.96 -4.45 3.17 3.02 0.44 -4.88 115.26 110.65 1wg6 n ASN 77 Ca -0.01 0.17 -0.43 0.00 -0.03 0.00 0.00 54.58 54.28 1wg6 n ASN 77 Cb 0.69 -2.59 -0.04 0.00 -0.61 0.00 0.00 39.78 37.23 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 -2.80 6.20 0.25 6.41 1.01 -1.20 -4.71 116.67 121.84 1wg6 s ASP 78 Ca 0.00 -0.98 -0.31 0.00 0.71 0.00 0.00 52.55 51.97 1wg6 s ASP 78 Cb 0.00 -2.39 -0.13 0.00 1.01 0.00 0.00 42.92 41.41 1wg6 s ASP 78 CO 0.00 -1.30 1.45 1.67 0.21 0.00 0.00 175.17 177.20 1wg6 n GLN 79 N 7.27 2.18 -3.42 8.23 7.27 -1.26 -3.08 117.38 134.57 1wg6 n GLN 79 Ca -0.04 0.77 -0.37 0.00 0.07 0.00 0.00 57.00 57.43 1wg6 n GLN 79 Cb 0.45 -2.46 -0.06 0.00 2.41 0.00 0.00 30.24 30.58 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 -0.00 4.30 0.00 1.69 1.02 -0.48 -3.34 118.68 121.87 1wg6 s LEU 80 Ca 0.67 0.73 0.04 0.00 0.02 0.00 0.00 54.13 55.59 1wg6 s LEU 80 Cb -0.62 -2.56 0.09 0.00 0.02 0.00 0.00 46.19 43.13 1wg6 s LEU 80 CO 0.49 0.09 1.00 2.30 0.02 0.00 0.00 176.35 180.25 1wg6 n ILE 81 N 3.35 0.80 0.00 -0.59 -5.35 0.41 -4.48 119.36 113.49 1wg6 n ILE 81 Ca -0.10 -0.90 0.00 0.00 -0.27 0.00 0.00 62.75 61.48 1wg6 n ILE 81 Cb 0.52 0.62 0.00 0.00 -1.74 0.00 0.00 39.64 39.04 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 -0.06 0.00 -3.66 -1.28 0.00 -1.25 -4.53 120.51 109.73 1wg6 n ALA 82 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.35 1wg6 n ALA 82 Cb 0.27 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.41 -0.99 0.00 0.11 0.32 -1.83 120.40 115.60 1wg6 s VAL 83 Ca 0.00 0.27 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 1wg6 s VAL 83 Cb 0.00 -0.45 0.00 0.00 -1.53 0.00 0.00 36.38 34.40 1wg6 s VAL 83 CO 0.00 0.11 0.00 -0.46 -3.33 0.00 0.00 175.10 171.42 1wg6 n ASN 84 N 5.32 -2.79 0.00 3.54 0.23 -0.32 0.24 115.26 121.48 1wg6 n ASN 84 Ca -0.07 0.25 0.00 0.00 -0.53 0.00 0.00 54.58 54.23 1wg6 n ASN 84 Cb 0.50 -2.63 0.00 0.00 -2.08 0.00 0.00 39.78 35.57 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 -0.34 2.31 3.77 4.83 0.00 -1.26 -4.91 105.19 109.59 1wg6 n GLY 85 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1wg6 n GLY 85 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wg6 s GLU 86 N -0.13 3.88 0.02 1.61 0.41 0.65 -4.99 118.70 120.14 1wg6 s GLU 86 Ca 0.00 2.30 -0.13 0.00 -0.41 0.00 0.00 54.97 56.73 1wg6 s GLU 86 Cb 0.00 -2.75 -0.06 0.00 -1.78 0.00 0.00 34.13 29.55 1wg6 s GLU 86 CO 0.00 -0.62 0.40 -0.08 -0.49 0.00 0.00 175.26 174.47 1wg6 s THR 87 N -1.22 5.05 -0.07 3.63 -1.32 -1.26 0.12 115.64 120.57 1wg6 s THR 87 Ca 0.58 0.74 0.01 0.00 -1.21 0.00 0.00 61.69 61.81 1wg6 s THR 87 Cb -0.41 -3.69 -0.05 0.00 -1.51 0.00 0.00 72.50 66.84 1wg6 s THR 87 CO 0.53 0.51 -0.06 0.18 -2.21 0.00 0.00 174.62 173.58 1wg6 n LEU 88 N 1.61 2.94 -0.06 9.08 4.77 -1.26 -4.49 117.00 129.59 1wg6 n LEU 88 Ca -0.13 -0.04 -0.08 0.00 -0.03 0.00 0.00 56.01 55.73 1wg6 n LEU 88 Cb 0.52 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 1wg6 n LEU 88 CO 0.38 0.61 0.69 -0.07 -1.33 0.00 0.00 177.39 177.67 1wg6 h LEU 89 N 0.00 -0.81 -2.11 2.23 3.38 -1.84 0.37 115.31 116.53 1wg6 h LEU 89 Ca -0.16 0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.04 1wg6 h LEU 89 Cb 1.25 0.38 -0.01 0.00 0.09 0.00 0.00 40.66 42.37 1wg6 h LEU 89 CO -0.02 -0.28 0.25 1.23 0.09 0.00 0.00 178.44 179.70 1wg6 h GLY 90 N -0.25 0.00 0.00 0.83 0.00 -1.96 -3.41 103.07 98.28 1wg6 h GLY 90 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1wg6 h GLY 90 CO -0.41 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.41 1wg6 n LYS 91 N -4.05 2.96 0.00 4.80 5.02 0.13 -5.12 118.16 121.90 1wg6 n LYS 91 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1wg6 n LYS 91 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.41 1wg6 n LYS 91 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1wg6 n SER 92 N 0.00 0.03 -0.07 4.39 3.41 -1.24 -4.92 113.62 115.22 1wg6 n SER 92 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 1wg6 n SER 92 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1wg6 n SER 92 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1wg6 h ASN 93 N 0.00 0.00 0.18 4.04 2.35 -1.92 -3.01 115.58 117.22 1wg6 h ASN 93 Ca 0.00 -0.78 -0.01 0.00 -0.55 0.00 0.00 56.30 54.96 1wg6 h ASN 93 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1wg6 h ASN 93 CO 0.00 0.92 -0.08 -0.74 -1.65 0.00 0.00 177.43 175.88 1wg6 h HIS 94 N -1.00 -0.22 -0.45 1.19 2.76 -1.98 -2.45 115.15 113.01 1wg6 h HIS 94 Ca -0.01 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.19 1wg6 h HIS 94 Cb 0.82 0.07 -0.05 0.00 1.55 0.00 0.00 27.41 29.80 1wg6 h HIS 94 CO 0.21 -0.14 -0.27 0.39 -1.30 0.00 0.00 177.93 176.83 1wg6 n GLU 95 N -2.84 -0.20 -0.04 5.26 1.02 -1.26 0.49 120.64 123.06 1wg6 n GLU 95 Ca -0.03 1.19 -0.01 0.00 -0.02 0.00 0.00 57.16 58.29 1wg6 n GLU 95 Cb 0.09 -1.77 -0.01 0.00 -0.02 0.00 0.00 31.44 29.74 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 -3.11 -0.06 -0.26 0.62 0.00 -1.14 0.30 120.51 116.86 1wg6 n ALA 96 Ca 0.01 0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.53 1wg6 n ALA 96 Cb 0.12 0.42 0.08 0.00 0.00 0.00 0.00 19.45 20.07 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 -0.02 -0.42 0.00 2.86 -0.73 1.49 114.93 118.11 1wg6 h MET 97 Ca 0.01 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.78 1wg6 h MET 97 Cb 0.04 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1wg6 h MET 97 CO -0.09 -0.01 0.33 1.05 1.06 0.00 0.00 176.91 179.25 1wg6 h GLU 98 N -0.02 0.00 0.00 1.72 -0.00 0.33 -1.95 114.58 114.67 1wg6 h GLU 98 Ca 0.35 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.69 1wg6 h GLU 98 Cb 0.56 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.31 1wg6 h GLU 98 CO -0.79 0.00 -0.12 1.15 -0.00 0.00 0.00 179.01 179.25 1wg6 h THR 99 N 0.00 1.42 -0.38 -1.06 2.02 0.65 -3.02 112.91 112.54 1wg6 h THR 99 Ca 0.20 -2.11 0.03 0.00 0.77 0.00 0.00 66.41 65.31 1wg6 h THR 99 Cb 0.85 2.73 -0.05 0.00 -1.74 0.00 0.00 68.15 69.94 1wg6 h THR 99 CO -0.00 0.48 -0.22 -0.11 0.37 0.00 0.00 175.52 176.04 1wg6 n LEU 100 N -4.62 -0.40 -0.17 2.58 7.94 0.13 0.15 117.00 122.61 1wg6 n LEU 100 Ca -0.10 1.28 0.16 0.00 -1.11 0.00 0.00 56.01 56.23 1wg6 n LEU 100 Cb 0.42 -0.39 0.50 0.00 0.53 0.00 0.00 43.42 44.48 1wg6 n LEU 100 CO 0.27 -0.85 1.21 0.08 -1.11 0.00 0.00 177.39 176.99 1wg6 h ARG 101 N 0.00 0.41 0.02 1.96 0.11 -1.62 -0.87 114.38 114.39 1wg6 h ARG 101 Ca 0.06 -0.02 0.02 0.00 0.10 0.00 0.00 59.98 60.13 1wg6 h ARG 101 Cb 0.15 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 31.12 1wg6 h ARG 101 CO -0.35 0.27 -0.12 -0.09 0.10 0.00 0.00 179.97 179.78 1wg6 h ARG 102 N 0.43 -0.20 -0.94 0.08 2.43 0.16 -2.04 114.38 114.29 1wg6 h ARG 102 Ca 0.38 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.57 1wg6 h ARG 102 Cb 0.87 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.42 1wg6 h ARG 102 CO -0.13 -0.14 0.61 0.77 -1.51 0.00 0.00 179.97 179.58 1wg6 h SER 103 N -0.21 1.10 -0.42 -3.80 0.02 0.86 0.73 113.55 111.83 1wg6 h SER 103 Ca 0.04 -0.04 0.12 0.00 -0.84 0.00 0.00 61.79 61.07 1wg6 h SER 103 Cb 0.25 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1wg6 h SER 103 CO -0.10 0.81 0.35 0.24 -1.14 0.00 0.00 176.83 176.99 1wg6 h MET 104 N 1.29 0.00 0.04 3.45 2.86 -0.65 2.19 114.93 124.10 1wg6 h MET 104 Ca 0.34 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.60 1wg6 h MET 104 Cb -0.12 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.49 1wg6 h MET 104 CO -0.07 0.00 -2.33 0.45 1.06 0.00 0.00 176.91 176.01 1wg6 n SER 105 N -4.12 2.02 -0.03 1.22 2.88 -0.38 -3.69 113.62 111.53 1wg6 n SER 105 Ca 0.07 -0.03 -0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1wg6 n SER 105 Cb 0.54 -0.55 -0.00 0.00 -0.75 0.00 0.00 64.21 63.45 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 0.01 0.00 0.00 -1.46 2.07 0.12 -2.96 114.93 112.71 1wg6 h MET 106 Ca -0.53 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.10 1wg6 h MET 106 Cb 1.93 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.66 1wg6 h MET 106 CO -0.04 0.00 0.00 0.39 1.07 0.00 0.00 176.91 178.33 1wg6 n GLU 107 N -3.63 0.10 0.00 1.72 -0.58 0.73 0.45 120.64 119.43 1wg6 n GLU 107 Ca -0.00 0.59 0.12 0.00 -0.42 0.00 0.00 57.16 57.45 1wg6 n GLU 107 Cb 0.01 -1.83 0.18 0.00 -0.57 0.00 0.00 31.44 29.22 1wg6 n GLU 107 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wg6 n GLY 108 N -1.31 -0.78 0.08 0.62 0.00 -0.51 0.11 105.19 103.39 1wg6 n GLY 108 Ca -0.01 -0.46 -0.07 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.98 1.85 0.01 1.61 3.02 0.17 -3.05 115.26 117.90 1wg6 n ASN 109 Ca 0.08 0.53 -0.18 0.00 -0.03 0.00 0.00 54.58 54.98 1wg6 n ASN 109 Cb 0.36 -0.83 -0.08 0.00 -0.61 0.00 0.00 39.78 38.62 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 1.29 0.00 2.41 -2.65 -1.67 -3.40 117.51 112.48 1wg6 h ILE 110 Ca -0.02 -2.12 0.00 0.00 1.03 0.00 0.00 64.86 63.75 1wg6 h ILE 110 Cb 0.71 2.18 0.00 0.00 -2.05 0.00 0.00 36.82 37.66 1wg6 h ILE 110 CO -0.01 0.66 0.00 -1.14 0.03 0.00 0.00 178.15 177.69 1wg6 n ARG 111 N -3.89 0.00 0.00 0.16 3.00 -0.91 -5.05 116.66 109.97 1wg6 n ARG 111 Ca -0.09 0.09 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1wg6 n ARG 111 Cb 0.81 -0.50 0.00 0.00 0.00 0.00 0.00 32.46 32.76 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 1.82 1.76 3.82 5.14 0.00 0.29 -4.90 105.19 113.11 1wg6 n GLY 112 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.14 1.65 -0.04 1.61 0.23 -1.12 0.94 119.30 122.42 1wg6 s MET 113 Ca 0.00 -0.96 -0.03 0.00 -1.03 0.00 0.00 55.69 53.67 1wg6 s MET 113 Cb 0.00 0.53 0.02 0.00 -1.53 0.00 0.00 34.83 33.85 1wg6 s MET 113 CO 0.00 -0.76 0.11 -1.50 -2.03 0.00 0.00 175.02 170.84 1wg6 s ILE 114 N -3.27 -0.02 0.16 3.16 2.07 0.11 -4.17 121.20 119.25 1wg6 s ILE 114 Ca 0.13 0.06 0.05 0.00 -1.41 0.00 0.00 60.65 59.48 1wg6 s ILE 114 Cb -0.04 -0.16 -0.04 0.00 0.13 0.00 0.00 42.46 42.35 1wg6 s ILE 114 CO 0.06 0.02 0.14 -1.58 -1.91 0.00 0.00 174.94 171.67 1wg6 s GLN 115 N 0.38 2.90 -0.07 3.50 0.74 -1.26 -0.36 119.66 125.49 1wg6 s GLN 115 Ca -0.03 -0.87 0.01 0.00 0.05 0.00 0.00 55.36 54.52 1wg6 s GLN 115 Cb -0.04 -2.65 0.02 0.00 1.10 0.00 0.00 33.01 31.44 1wg6 s GLN 115 CO -0.01 0.48 -0.08 -0.51 -0.55 0.00 0.00 175.29 174.62 1wg6 s LEU 116 N -3.11 1.37 -0.33 3.68 1.43 0.45 -1.17 118.68 120.99 1wg6 s LEU 116 Ca 0.31 -0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 53.11 1wg6 s LEU 116 Cb -0.10 -0.70 0.04 0.00 0.03 0.00 0.00 46.19 45.46 1wg6 s LEU 116 CO 0.23 -0.05 0.10 -0.69 0.23 0.00 0.00 176.35 176.18 1wg6 s VAL 117 N 1.09 3.77 0.31 -1.59 1.01 -0.76 -1.28 120.40 122.94 1wg6 s VAL 117 Ca -0.07 -1.11 0.07 0.00 0.00 0.00 0.00 61.98 60.86 1wg6 s VAL 117 Cb -0.14 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 1wg6 s VAL 117 CO -0.01 -0.16 0.31 0.27 0.00 0.00 0.00 175.10 175.52 1wg6 s ILE 118 N 1.40 4.03 -0.01 2.22 -5.25 -0.71 -0.44 121.20 122.43 1wg6 s ILE 118 Ca -0.02 -1.26 0.01 0.00 -0.99 0.00 0.00 60.65 58.39 1wg6 s ILE 118 Cb -0.19 -3.35 0.01 0.00 2.95 0.00 0.00 42.46 41.88 1wg6 s ILE 118 CO 0.03 -0.23 -0.01 -0.22 -1.79 0.00 0.00 174.94 172.72 1wg6 s LEU 119 N -4.00 1.71 -0.02 0.37 1.98 -1.21 -1.94 118.68 115.57 1wg6 s LEU 119 Ca 0.39 -0.03 -0.05 0.00 -2.89 0.00 0.00 54.13 51.55 1wg6 s LEU 119 Cb -0.07 -0.14 0.00 0.00 0.66 0.00 0.00 46.19 46.64 1wg6 s LEU 119 CO 0.27 -0.02 0.12 -0.60 -1.89 0.00 0.00 176.35 174.23 1wg6 s ARG 120 N 0.32 0.32 1.02 1.98 3.52 0.18 -4.59 118.95 121.70 1wg6 s ARG 120 Ca -0.03 -0.16 -0.12 0.00 -0.13 0.00 0.00 55.73 55.29 1wg6 s ARG 120 Cb -0.05 0.14 0.20 0.00 -1.56 0.00 0.00 34.95 33.67 1wg6 s ARG 120 CO -0.01 -0.07 1.08 1.03 -0.81 0.00 0.00 175.30 176.52 1wg6 s ARG 121 N -0.75 0.26 0.19 5.12 0.52 -1.26 -0.27 118.95 122.76 1wg6 s ARG 121 Ca -0.08 0.82 -0.23 0.00 -0.52 0.00 0.00 55.73 55.71 1wg6 s ARG 121 Cb -0.05 -1.69 0.10 0.00 0.52 0.00 0.00 34.95 33.83 1wg6 s ARG 121 CO 0.01 -2.92 1.56 1.03 0.02 0.00 0.00 175.30 174.99 1wg6 h SER 122 N -2.04 -1.55 0.00 0.23 0.87 -1.93 -3.42 113.55 105.71 1wg6 h SER 122 Ca -0.54 0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 1wg6 h SER 122 Cb 1.31 0.74 0.00 0.00 -0.44 0.00 0.00 62.40 64.01 1wg6 h SER 122 CO 0.53 -0.30 0.00 0.61 -0.53 0.00 0.00 176.83 177.14 1wg6 n GLY 123 N -1.41 0.39 0.18 5.77 0.00 -1.26 -4.99 105.19 103.88 1wg6 n GLY 123 Ca 0.05 0.44 -0.15 0.00 0.00 0.00 0.00 46.02 46.36 1wg6 n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wg6 h PRO 124 N 0.00 0.53 -3.22 1.61 0.13 -1.91 -3.50 132.00 125.64 1wg6 h PRO 124 Ca 0.00 -0.51 0.32 0.00 -0.87 0.00 0.00 66.00 64.94 1wg6 h PRO 124 Cb 0.00 0.13 -0.15 0.00 0.13 0.00 0.00 31.00 31.11 1wg6 h PRO 124 CO 0.00 1.14 -0.98 0.45 -0.23 0.00 0.00 178.00 178.38 1wg6 n SER 125 N -3.82 -7.44 -3.54 1.44 2.88 -1.26 -4.87 113.62 97.02 1wg6 n SER 125 Ca -0.07 1.12 -0.37 0.00 -1.33 0.00 0.00 58.87 58.22 1wg6 n SER 125 Cb 0.80 -4.53 0.03 0.00 -0.75 0.00 0.00 64.21 59.77 1wg6 n SER 125 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wg6 n SER 126 N -4.28 -5.45 0.00 -3.46 7.64 -1.26 -5.22 113.62 101.59 1wg6 n SER 126 Ca -0.06 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.57 1wg6 n SER 126 Cb 0.64 -1.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 1wg6 n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64