#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 6.20 -0.30 1.61 0.01 -1.26 -5.11 113.70 114.85 1wg6 s SER 2 Ca 0.00 0.00 -0.17 0.00 1.31 0.00 0.00 55.95 57.09 1wg6 s SER 2 Cb 0.00 -1.73 0.19 0.00 0.21 0.00 0.00 66.02 64.70 1wg6 s SER 2 CO 0.00 -0.12 1.23 -0.55 0.41 0.00 0.00 173.24 174.20 1wg6 s SER 3 N -4.00 -0.15 -0.43 2.44 0.15 -1.26 -5.12 113.70 105.33 1wg6 s SER 3 Ca 0.35 0.25 -0.06 0.00 0.70 0.00 0.00 55.95 57.20 1wg6 s SER 3 Cb -0.09 0.93 0.11 0.00 -1.71 0.00 0.00 66.02 65.26 1wg6 s SER 3 CO 0.29 -0.04 0.26 -0.83 1.20 0.00 0.00 173.24 174.12 1wg6 s GLY 4 N 0.94 2.00 -0.45 9.45 0.00 -1.26 -4.97 107.32 113.03 1wg6 s GLY 4 Ca -0.06 -2.46 0.05 0.00 0.00 0.00 0.00 44.72 42.26 1wg6 s GLY 4 CO -0.11 1.04 0.52 1.44 0.00 0.00 0.00 173.10 175.99 1wg6 n SER 5 N 4.76 -1.63 -3.97 1.64 7.64 -1.26 -5.12 113.62 115.68 1wg6 n SER 5 Ca -0.06 -2.64 -0.09 0.00 1.01 0.00 0.00 58.87 57.09 1wg6 n SER 5 Cb 0.41 0.39 -0.10 0.00 -1.01 0.00 0.00 64.21 63.90 1wg6 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wg6 s SER 6 N 0.16 0.23 0.00 6.43 0.01 -1.26 -5.12 113.70 114.14 1wg6 s SER 6 Ca 0.32 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.04 1wg6 s SER 6 Cb 0.05 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.44 1wg6 s SER 6 CO -0.14 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 173.71 1wg6 n GLY 7 N 1.15 3.94 2.13 3.44 0.00 -1.26 -5.13 105.19 109.46 1wg6 n GLY 7 Ca -0.21 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1wg6 n GLY 7 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wg6 n LEU 8 N 0.00 -2.39 -4.17 0.99 7.94 -1.26 -5.11 117.00 112.99 1wg6 n LEU 8 Ca 0.00 0.53 -0.32 0.00 -1.11 0.00 0.00 56.01 55.10 1wg6 n LEU 8 Cb 0.00 2.42 -0.17 0.00 0.53 0.00 0.00 43.42 46.21 1wg6 n LEU 8 CO 0.00 -0.06 -0.55 -0.75 -1.11 0.00 0.00 177.39 174.93 1wg6 s LYS 9 N -1.56 2.99 0.00 1.96 2.20 -1.26 -5.06 119.74 119.01 1wg6 s LYS 9 Ca 0.00 -0.85 0.00 0.00 -0.36 0.00 0.00 55.97 54.76 1wg6 s LYS 9 Cb 0.00 -2.38 0.00 0.00 -1.51 0.00 0.00 37.83 33.94 1wg6 s LYS 9 CO 0.00 0.02 0.00 0.41 -0.36 0.00 0.00 175.35 175.42 1wg6 n GLY 10 N 3.98 3.89 2.88 5.54 0.00 -1.26 -5.16 105.19 115.05 1wg6 n GLY 10 Ca -0.20 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 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 3.86 0.92 0.03 1.61 2.02 -1.26 -5.03 118.70 120.85 1wg6 s GLU 11 Ca 0.00 -0.09 -0.18 0.00 0.02 0.00 0.00 54.97 54.72 1wg6 s GLU 11 Cb 0.00 -1.00 -0.21 0.00 0.10 0.00 0.00 34.13 33.02 1wg6 s GLU 11 CO 0.00 -0.15 1.16 -1.00 0.02 0.00 0.00 175.26 175.30 1wg6 h PRO 12 N 7.55 0.50 -0.13 0.39 0.13 -2.03 -3.45 132.00 134.96 1wg6 h PRO 12 Ca -0.32 -0.49 0.24 0.00 -0.87 0.00 0.00 66.00 64.56 1wg6 h PRO 12 Cb 1.15 0.12 -0.18 0.00 0.13 0.00 0.00 31.00 32.22 1wg6 h PRO 12 CO 0.41 1.12 0.04 0.34 -0.23 0.00 0.00 178.00 179.68 1wg6 s ASP 13 N -6.81 -0.22 0.29 1.44 -1.08 -1.26 -5.02 116.67 104.01 1wg6 s ASP 13 Ca -0.12 0.02 0.04 0.00 -0.52 0.00 0.00 52.55 51.96 1wg6 s ASP 13 Cb 0.05 1.07 0.70 0.00 -1.46 0.00 0.00 42.92 43.28 1wg6 s ASP 13 CO 0.84 -0.04 1.73 0.00 0.52 0.00 0.00 175.17 178.23 1wg6 n TYR 15 N -4.92 -2.90 -2.82 0.00 9.36 -1.26 -4.40 117.16 110.21 1wg6 n TYR 15 Ca 0.22 1.56 -0.43 0.00 3.32 0.00 0.00 57.90 62.56 1wg6 n TYR 15 Cb 0.59 -2.64 -0.03 0.00 -0.63 0.00 0.00 39.34 36.64 1wg6 n TYR 15 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1wg6 s ALA 16 N -3.73 3.17 -0.52 2.98 0.00 -1.26 -4.95 121.76 117.46 1wg6 s ALA 16 Ca 0.00 -2.57 -0.27 0.00 0.00 0.00 0.00 51.96 49.13 1wg6 s ALA 16 Cb 0.00 -4.17 -0.08 0.00 0.00 0.00 0.00 23.12 18.87 1wg6 s ALA 16 CO 0.00 -3.14 2.43 1.28 0.00 0.00 0.00 175.76 176.33 1wg6 n LEU 17 N 7.26 2.19 -1.40 0.00 4.77 -1.26 -4.43 117.00 124.13 1wg6 n LEU 17 Ca 0.24 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1wg6 n LEU 17 Cb 0.49 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.07 1wg6 n LEU 17 CO 0.55 -1.43 -0.41 -1.20 -1.33 0.00 0.00 177.39 173.58 1wg6 n SER 18 N 15.06 -7.66 -4.81 -1.43 7.64 -1.26 -4.90 113.62 116.26 1wg6 n SER 18 Ca 0.39 1.26 -0.38 0.00 1.01 0.00 0.00 58.87 61.15 1wg6 n SER 18 Cb 0.49 -4.21 -0.06 0.00 -1.01 0.00 0.00 64.21 59.42 1wg6 n SER 18 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1wg6 s LEU 19 N -3.80 4.49 -0.28 -3.43 2.34 -1.26 -5.06 118.68 111.67 1wg6 s LEU 19 Ca 0.00 1.10 -0.02 0.00 0.06 0.00 0.00 54.13 55.27 1wg6 s LEU 19 Cb 0.00 -2.75 0.17 0.00 -0.56 0.00 0.00 46.19 43.06 1wg6 s LEU 19 CO 0.00 0.27 0.54 -0.70 -1.06 0.00 0.00 176.35 175.41 1wg6 s GLU 20 N -0.95 0.51 0.07 1.48 2.12 -1.26 -5.08 118.70 115.59 1wg6 s GLU 20 Ca 0.26 0.89 0.00 0.00 0.36 0.00 0.00 54.97 56.49 1wg6 s GLU 20 Cb -0.18 0.29 0.00 0.00 0.26 0.00 0.00 34.13 34.50 1wg6 s GLU 20 CO 0.16 -0.62 0.00 0.43 -0.54 0.00 0.00 175.26 174.69 1wg6 n SER 21 N 5.41 -6.81 -4.60 -1.70 7.64 -1.26 -4.97 113.62 107.33 1wg6 n SER 21 Ca -0.02 1.09 -0.27 0.00 1.01 0.00 0.00 58.87 60.68 1wg6 n SER 21 Cb 0.51 -3.72 -0.11 0.00 -1.01 0.00 0.00 64.21 59.88 1wg6 n SER 21 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wg6 s SER 22 N -0.37 3.88 0.20 6.43 0.01 -1.26 -4.57 113.70 118.01 1wg6 s SER 22 Ca 0.00 -1.29 0.06 0.00 1.31 0.00 0.00 55.95 56.03 1wg6 s SER 22 Cb 0.00 -0.39 -0.04 0.00 0.21 0.00 0.00 66.02 65.80 1wg6 s SER 22 CO 0.00 -0.37 0.16 -1.61 0.41 0.00 0.00 173.24 171.82 1wg6 s GLU 23 N -3.69 2.90 -0.05 12.44 2.02 -1.07 -5.02 118.70 126.24 1wg6 s GLU 23 Ca 0.35 -0.94 -0.08 0.00 0.02 0.00 0.00 54.97 54.32 1wg6 s GLU 23 Cb 0.07 -2.61 0.01 0.00 0.10 0.00 0.00 34.13 31.70 1wg6 s GLU 23 CO 0.18 0.45 0.19 -1.14 0.02 0.00 0.00 175.26 174.96 1wg6 s GLN 24 N -3.37 0.35 -0.11 1.61 -0.44 -1.26 -1.48 119.66 114.96 1wg6 s GLN 24 Ca 0.32 0.03 0.00 0.00 -2.50 0.00 0.00 55.36 53.21 1wg6 s GLN 24 Cb -0.09 0.16 0.02 0.00 -1.64 0.00 0.00 33.01 31.46 1wg6 s GLN 24 CO 0.24 -0.07 -0.10 -0.51 0.50 0.00 0.00 175.29 175.35 1wg6 s LEU 25 N -0.48 1.39 -0.34 3.68 1.43 -1.05 -4.99 118.68 118.33 1wg6 s LEU 25 Ca -0.06 -0.34 -0.08 0.00 -1.03 0.00 0.00 54.13 52.63 1wg6 s LEU 25 Cb -0.04 -0.90 0.03 0.00 0.03 0.00 0.00 46.19 45.31 1wg6 s LEU 25 CO 0.01 -0.07 0.13 -0.89 0.23 0.00 0.00 176.35 175.76 1wg6 s THR 26 N 1.40 4.04 -0.16 5.49 2.01 -1.26 -2.20 115.64 124.95 1wg6 s THR 26 Ca -0.00 -0.95 -0.01 0.00 0.31 0.00 0.00 61.69 61.03 1wg6 s THR 26 Cb -0.13 -3.23 -0.01 0.00 0.01 0.00 0.00 72.50 69.14 1wg6 s THR 26 CO -0.06 -0.13 -0.10 -0.76 -0.69 0.00 0.00 174.62 172.88 1wg6 s LEU 27 N 1.47 2.77 -0.02 4.42 2.01 -0.80 -4.94 118.68 123.59 1wg6 s LEU 27 Ca 0.00 -0.35 -0.03 0.00 0.01 0.00 0.00 54.13 53.77 1wg6 s LEU 27 Cb -0.19 -1.65 -0.04 0.00 0.01 0.00 0.00 46.19 44.32 1wg6 s LEU 27 CO 0.04 0.10 0.15 -1.61 1.01 0.00 0.00 176.35 176.04 1wg6 s GLU 28 N 0.72 3.35 -0.04 1.70 8.01 -1.26 -1.80 118.70 129.38 1wg6 s GLU 28 Ca -0.05 -0.33 0.01 0.00 0.01 0.00 0.00 54.97 54.61 1wg6 s GLU 28 Cb -0.15 -3.05 0.02 0.00 -4.31 0.00 0.00 34.13 26.63 1wg6 s GLU 28 CO 0.02 0.68 -0.05 0.42 0.01 0.00 0.00 175.26 176.34 1wg6 s ILE 29 N -1.25 0.59 0.45 -1.63 1.01 0.71 -4.96 121.20 116.12 1wg6 s ILE 29 Ca 0.25 -0.17 -0.22 0.00 0.00 0.00 0.00 60.65 60.51 1wg6 s ILE 29 Cb -0.12 -0.59 -0.09 0.00 0.01 0.00 0.00 42.46 41.67 1wg6 s ILE 29 CO 0.16 0.23 1.04 -2.16 0.00 0.00 0.00 174.94 174.21 1wg6 s PRO 30 N 0.77 3.93 -0.23 2.79 0.04 -1.26 0.51 135.00 141.55 1wg6 s PRO 30 Ca -0.11 1.42 0.12 0.00 0.04 0.00 0.00 61.00 62.47 1wg6 s PRO 30 Cb -0.14 -2.26 0.45 0.00 0.04 0.00 0.00 34.50 32.59 1wg6 s PRO 30 CO 0.01 -0.33 1.19 1.28 0.04 0.00 0.00 177.00 179.19 1wg6 n LEU 31 N -0.64 3.44 0.34 -3.56 4.77 0.51 -4.67 117.00 117.20 1wg6 n LEU 31 Ca 0.08 -4.04 -0.13 0.00 -0.03 0.00 0.00 56.01 51.89 1wg6 n LEU 31 Cb 0.51 -0.31 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 1wg6 n LEU 31 CO 0.42 1.61 0.52 -0.55 -1.33 0.00 0.00 177.39 178.05 1wg6 h ASN 32 N 1.68 -0.73 0.19 -1.43 7.08 -1.89 0.16 115.58 120.64 1wg6 h ASN 32 Ca 0.13 0.03 -0.26 0.00 -3.08 0.00 0.00 56.30 53.12 1wg6 h ASN 32 Cb 1.34 0.19 -0.05 0.00 -2.08 0.00 0.00 38.32 37.72 1wg6 h ASN 32 CO 0.36 -0.52 -2.06 -0.67 -2.08 0.00 0.00 177.43 172.46 1wg6 n ASP 33 N -4.35 0.26 0.09 6.14 -0.08 -1.26 -4.18 116.55 113.18 1wg6 n ASP 33 Ca -0.11 0.12 -0.06 0.00 -1.51 0.00 0.00 54.79 53.23 1wg6 n ASP 33 Cb 0.34 0.90 0.08 0.00 2.34 0.00 0.00 41.12 44.78 1wg6 n ASP 33 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 1wg6 h SER 34 N 0.00 0.24 -1.20 1.67 0.87 -1.83 -3.10 113.55 110.20 1wg6 h SER 34 Ca -0.35 -0.16 0.35 0.00 -1.23 0.00 0.00 61.79 60.40 1wg6 h SER 34 Cb 1.87 -0.07 -0.09 0.00 -0.44 0.00 0.00 62.40 63.66 1wg6 h SER 34 CO 0.03 0.86 0.80 1.23 -0.53 0.00 0.00 176.83 179.22 1wg6 h GLY 35 N 1.63 0.91 -0.57 5.77 0.00 -0.81 1.20 103.07 111.20 1wg6 h GLY 35 Ca -0.02 -0.12 0.07 0.00 0.00 0.00 0.00 47.33 47.26 1wg6 h GLY 35 CO 0.11 -0.17 -0.52 1.76 0.00 0.00 0.00 176.54 177.71 1wg6 h SER 36 N 0.20 -1.79 0.04 0.19 0.02 -1.75 -3.14 113.55 107.31 1wg6 h SER 36 Ca 0.67 0.26 -0.33 0.00 -0.84 0.00 0.00 61.79 61.55 1wg6 h SER 36 Cb 2.09 0.78 -0.04 0.00 0.14 0.00 0.00 62.40 65.37 1wg6 h SER 36 CO -0.25 -0.34 -1.87 0.00 -1.14 0.00 0.00 176.83 173.22 1wg6 n ALA 37 N -3.15 0.97 0.00 3.77 0.00 -0.19 -5.11 120.51 116.80 1wg6 n ALA 37 Ca -0.00 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1wg6 n ALA 37 Cb 0.33 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.37 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 1.66 0.45 0.19 0.00 0.00 0.40 -4.95 105.19 102.94 1wg6 n GLY 38 Ca -0.38 -1.45 -0.07 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.44 0.00 0.99 3.38 -1.92 -3.35 115.31 113.97 1wg6 h LEU 39 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1wg6 h LEU 39 Cb 0.00 0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1wg6 h LEU 39 CO 0.00 -0.28 0.00 0.61 0.09 0.00 0.00 178.44 178.86 1wg6 n GLY 40 N -1.23 1.99 3.28 0.83 0.00 -1.26 -3.82 105.19 104.97 1wg6 n GLY 40 Ca -0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 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 1.59 -0.20 1.61 -7.23 -1.26 -3.65 120.40 109.26 1wg6 s VAL 41 Ca 0.00 -1.71 -0.08 0.00 -1.81 0.00 0.00 61.98 58.38 1wg6 s VAL 41 Cb 0.00 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.29 1wg6 s VAL 41 CO 0.00 -0.27 0.08 -0.94 -0.31 0.00 0.00 175.10 173.67 1wg6 s SER 42 N -2.32 5.70 0.54 4.85 1.04 -0.59 -5.00 113.70 117.92 1wg6 s SER 42 Ca 0.10 0.07 0.03 0.00 0.48 0.00 0.00 55.95 56.62 1wg6 s SER 42 Cb -0.07 -1.99 0.03 0.00 0.10 0.00 0.00 66.02 64.08 1wg6 s SER 42 CO 0.05 0.13 0.21 0.18 0.98 0.00 0.00 173.24 174.79 1wg6 n LEU 43 N 3.81 0.00 -3.70 2.42 4.77 -1.26 -0.05 117.00 122.99 1wg6 n LEU 43 Ca -0.16 -3.11 -0.14 0.00 -0.03 0.00 0.00 56.01 52.57 1wg6 n LEU 43 Cb 0.52 0.16 -0.09 0.00 -2.33 0.00 0.00 43.42 41.69 1wg6 n LEU 43 CO 0.35 -0.53 0.15 -1.59 -1.33 0.00 0.00 177.39 174.44 1wg6 s LYS 44 N -4.10 0.64 -0.16 3.23 -2.85 0.55 -4.54 119.74 112.50 1wg6 s LYS 44 Ca 0.16 0.38 -0.05 0.00 -1.00 0.00 0.00 55.97 55.45 1wg6 s LYS 44 Cb -0.01 0.30 -0.04 0.00 -2.06 0.00 0.00 37.83 36.02 1wg6 s LYS 44 CO 0.10 -0.13 0.02 0.20 0.10 0.00 0.00 175.35 175.65 1wg6 s GLY 45 N -0.34 1.85 0.14 0.59 0.00 -1.26 -2.12 107.32 106.17 1wg6 s GLY 45 Ca -0.05 -0.77 0.08 0.00 0.00 0.00 0.00 44.72 43.98 1wg6 s GLY 45 CO 0.03 -0.08 -0.13 -1.31 0.00 0.00 0.00 173.10 171.61 1wg6 s ASN 46 N 0.15 4.17 0.04 1.64 0.01 -1.24 -5.04 114.94 114.67 1wg6 s ASN 46 Ca 0.02 -0.52 0.02 0.00 -0.71 0.00 0.00 52.86 51.68 1wg6 s ASN 46 Cb -0.13 -0.70 -0.02 0.00 0.41 0.00 0.00 41.25 40.81 1wg6 s ASN 46 CO 0.01 0.15 -0.08 -0.75 -1.51 0.00 0.00 177.10 174.93 1wg6 s LYS 47 N -2.42 0.52 -0.14 -0.60 2.20 -1.26 -3.68 119.74 114.36 1wg6 s LYS 47 Ca 0.22 -0.75 0.02 0.00 -0.36 0.00 0.00 55.97 55.09 1wg6 s LYS 47 Cb -0.10 -0.27 0.01 0.00 -1.51 0.00 0.00 37.83 35.96 1wg6 s LYS 47 CO 0.13 0.04 -0.20 -1.12 -0.36 0.00 0.00 175.35 173.84 1wg6 s SER 48 N -1.58 2.99 -0.02 1.43 0.01 -0.85 -4.87 113.70 110.81 1wg6 s SER 48 Ca -0.10 -0.58 0.15 0.00 1.31 0.00 0.00 55.95 56.73 1wg6 s SER 48 Cb -0.10 -1.38 -0.20 0.00 0.21 0.00 0.00 66.02 64.55 1wg6 s SER 48 CO 0.00 0.05 0.67 -1.14 0.41 0.00 0.00 173.24 173.23 1wg6 n ARG 49 N 4.22 0.63 0.08 12.44 0.63 -1.26 -2.07 116.66 131.33 1wg6 n ARG 49 Ca -0.20 0.24 -0.12 0.00 -0.92 0.00 0.00 57.85 56.85 1wg6 n ARG 49 Cb 0.51 -1.77 -0.06 0.00 0.45 0.00 0.00 32.46 31.59 1wg6 n ARG 49 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1wg6 h GLU 50 N 0.00 -0.23 0.00 -0.14 4.39 -1.94 -2.80 114.58 113.86 1wg6 h GLU 50 Ca -0.26 0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.39 1wg6 h GLU 50 Cb 1.86 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.55 1wg6 h GLU 50 CO 0.06 -0.16 -0.90 1.79 -1.16 0.00 0.00 179.01 178.64 1wg6 h THR 51 N -0.24 0.30 -0.10 1.13 1.35 -2.01 -3.47 112.91 109.86 1wg6 h THR 51 Ca 0.03 -1.52 -0.04 0.00 -0.55 0.00 0.00 66.41 64.32 1wg6 h THR 51 Cb 0.27 1.90 -0.02 0.00 -1.73 0.00 0.00 68.15 68.57 1wg6 h THR 51 CO -0.08 0.17 -0.04 0.61 -0.25 0.00 0.00 175.52 175.93 1wg6 n GLY 52 N 1.24 0.55 3.56 5.82 0.00 -0.88 -5.03 105.19 110.46 1wg6 n GLY 52 Ca -0.02 -0.89 -0.25 0.00 0.00 0.00 0.00 46.02 44.86 1wg6 n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wg6 s THR 53 N -2.07 2.51 -0.46 2.61 2.01 -0.99 -4.98 115.64 114.27 1wg6 s THR 53 Ca 0.00 -2.15 -0.19 0.00 0.31 0.00 0.00 61.69 59.66 1wg6 s THR 53 Cb 0.00 -2.64 0.04 0.00 0.01 0.00 0.00 72.50 69.91 1wg6 s THR 53 CO 0.00 -0.26 0.57 -1.81 -0.69 0.00 0.00 174.62 172.43 1wg6 s ASP 54 N -3.63 6.24 0.29 3.53 1.01 -1.26 -2.01 116.67 120.84 1wg6 s ASP 54 Ca 0.33 -0.67 -0.02 0.00 0.71 0.00 0.00 52.55 52.89 1wg6 s ASP 54 Cb -0.01 -2.28 0.62 0.00 1.01 0.00 0.00 42.92 42.26 1wg6 s ASP 54 CO 0.17 -0.76 1.58 -0.07 0.21 0.00 0.00 175.17 176.30 1wg6 h LEU 55 N 9.50 -0.56 0.00 1.23 3.38 -1.90 -3.47 115.31 123.48 1wg6 h LEU 55 Ca -0.26 0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wg6 h LEU 55 Cb 1.10 0.49 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1wg6 h LEU 55 CO 0.89 -0.31 0.00 0.61 0.09 0.00 0.00 178.44 179.72 1wg6 n GLY 56 N -1.51 0.42 3.47 0.83 0.00 -1.25 -5.01 105.19 102.13 1wg6 n GLY 56 Ca 0.19 -1.49 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 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 -3.01 2.67 -0.10 -0.61 -1.09 -1.26 -3.62 121.20 114.18 1wg6 s ILE 57 Ca 0.00 -1.66 -0.14 0.00 -2.23 0.00 0.00 60.65 56.61 1wg6 s ILE 57 Cb 0.00 -2.24 0.03 0.00 -1.58 0.00 0.00 42.46 38.68 1wg6 s ILE 57 CO 0.00 0.04 0.38 -0.36 -1.23 0.00 0.00 174.94 173.76 1wg6 s PHE 58 N -1.27 -0.36 0.56 3.97 0.40 -0.90 -1.67 117.98 118.71 1wg6 s PHE 58 Ca 0.18 0.82 -0.20 0.00 -0.60 0.00 0.00 56.93 57.14 1wg6 s PHE 58 Cb -0.10 0.14 -0.05 0.00 0.51 0.00 0.00 43.02 43.52 1wg6 s PHE 58 CO 0.10 -0.27 1.18 0.42 0.70 0.00 0.00 175.22 177.35 1wg6 s ILE 59 N -0.27 2.85 -0.20 0.64 1.01 -1.22 -0.33 121.20 123.67 1wg6 s ILE 59 Ca -0.04 0.54 -0.07 0.00 0.00 0.00 0.00 60.65 61.08 1wg6 s ILE 59 Cb -0.03 -3.23 -0.10 0.00 0.01 0.00 0.00 42.46 39.11 1wg6 s ILE 59 CO 0.02 -0.10 -0.24 1.17 0.00 0.00 0.00 174.94 175.79 1wg6 n LYS 60 N -1.36 0.45 0.00 2.79 4.81 0.93 0.12 118.16 125.90 1wg6 n LYS 60 Ca 0.12 0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 1wg6 n LYS 60 Cb 0.50 -1.28 0.00 0.00 0.02 0.00 0.00 35.03 34.27 1wg6 n LYS 60 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1wg6 n SER 61 N -3.68 0.00 -4.85 3.14 3.41 -0.18 -4.55 113.62 106.91 1wg6 n SER 61 Ca -0.39 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 57.85 1wg6 n SER 61 Cb 0.81 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.70 1wg6 n SER 61 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1wg6 s ILE 62 N -2.00 5.29 -0.57 -1.33 1.09 -1.26 -1.54 121.20 120.88 1wg6 s ILE 62 Ca 0.00 0.50 -0.21 0.00 -1.10 0.00 0.00 60.65 59.83 1wg6 s ILE 62 Cb 0.00 -3.55 0.06 0.00 -1.06 0.00 0.00 42.46 37.91 1wg6 s ILE 62 CO 0.00 0.58 0.82 -0.63 -0.10 0.00 0.00 174.94 175.61 1wg6 s ILE 63 N -0.93 4.58 0.46 2.92 1.09 -1.24 -4.97 121.20 123.12 1wg6 s ILE 63 Ca 0.19 -0.31 -0.07 0.00 -1.10 0.00 0.00 60.65 59.35 1wg6 s ILE 63 Cb -0.14 -4.50 0.12 0.00 -1.06 0.00 0.00 42.46 36.88 1wg6 s ILE 63 CO 0.08 -1.11 0.26 1.41 -0.10 0.00 0.00 174.94 175.48 1wg6 n HIS 64 N 6.97 -2.40 -3.68 3.97 8.25 -1.26 -3.50 115.22 123.56 1wg6 n HIS 64 Ca -0.04 -0.23 -0.26 0.00 -0.26 0.00 0.00 57.72 56.94 1wg6 n HIS 64 Cb 0.46 -0.42 -0.04 0.00 1.12 0.00 0.00 29.99 31.10 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 -1.66 -0.45 0.00 -1.41 0.00 -1.26 -4.80 105.19 95.62 1wg6 n GLY 65 Ca 0.04 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.89 5.26 0.04 -0.02 0.00 -1.23 -5.05 105.19 103.30 1wg6 n GLY 66 Ca 0.06 -1.09 -0.02 0.00 0.00 0.00 0.00 46.02 44.96 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 1.09 0.00 -1.19 4.61 0.00 -1.82 -3.37 119.26 118.59 1wg6 h ALA 67 Ca 0.00 -0.35 0.34 0.00 0.00 0.00 0.00 54.91 54.90 1wg6 h ALA 67 Cb 0.00 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 1wg6 h ALA 67 CO 0.00 0.26 0.81 0.00 0.00 0.00 0.00 179.25 180.32 1wg6 h ALA 68 N -1.41 2.80 -0.85 0.00 0.00 -1.83 0.38 119.26 118.35 1wg6 h ALA 68 Ca 0.00 0.01 0.34 0.00 0.00 0.00 0.00 54.91 55.27 1wg6 h ALA 68 Cb 0.26 0.08 -0.14 0.00 0.00 0.00 0.00 17.79 17.99 1wg6 h ALA 68 CO 0.00 -1.21 0.48 0.34 0.00 0.00 0.00 179.25 178.86 1wg6 n PHE 69 N -4.38 0.89 0.00 0.00 7.35 -1.24 0.14 117.46 120.21 1wg6 n PHE 69 Ca 0.28 0.89 0.00 0.00 -0.76 0.00 0.00 57.45 57.86 1wg6 n PHE 69 Cb 1.17 -1.31 0.00 0.00 0.35 0.00 0.00 39.48 39.69 1wg6 n PHE 69 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1wg6 n LYS 70 N -4.74 0.00 0.05 -4.13 5.02 0.12 -1.47 118.16 113.00 1wg6 n LYS 70 Ca 0.31 0.57 0.07 0.00 -2.02 0.00 0.00 58.31 57.23 1wg6 n LYS 70 Cb 1.07 -1.41 0.30 0.00 -0.02 0.00 0.00 35.03 34.97 1wg6 n LYS 70 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1wg6 n ASP 71 N -2.02 0.21 -0.45 4.39 2.03 0.47 -3.13 116.55 118.03 1wg6 n ASP 71 Ca 0.00 0.57 0.39 0.00 0.52 0.00 0.00 54.79 56.27 1wg6 n ASP 71 Cb 0.00 -0.60 0.60 0.00 -0.72 0.00 0.00 41.12 40.40 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 -0.55 -0.83 0.57 0.27 0.00 0.38 -0.37 105.19 104.66 1wg6 n GLY 72 Ca 0.02 0.51 0.43 0.00 0.00 0.00 0.00 46.02 46.98 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 -3.47 -0.00 -0.11 1.61 1.85 -1.18 -4.29 116.66 111.06 1wg6 n ARG 73 Ca 0.33 0.93 -0.13 0.00 -1.00 0.00 0.00 57.85 57.98 1wg6 n ARG 73 Cb 1.68 -2.10 0.13 0.00 -1.05 0.00 0.00 32.46 31.12 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 -3.73 0.00 -3.75 2.89 4.77 0.50 -5.05 117.00 112.64 1wg6 n LEU 74 Ca 0.37 -0.38 -0.16 0.00 -0.03 0.00 0.00 56.01 55.82 1wg6 n LEU 74 Cb 1.65 -0.44 -0.16 0.00 -2.33 0.00 0.00 43.42 42.14 1wg6 n LEU 74 CO 0.34 -2.08 -0.33 0.00 -1.33 0.00 0.00 177.39 173.99 1wg6 s ARG 75 N -3.82 -0.03 1.02 3.23 1.04 -1.26 -4.99 118.95 114.14 1wg6 s ARG 75 Ca 0.29 0.25 -0.23 0.00 -1.04 0.00 0.00 55.73 55.00 1wg6 s ARG 75 Cb -0.05 -0.29 -0.11 0.00 -2.04 0.00 0.00 34.95 32.46 1wg6 s ARG 75 CO 0.24 -0.20 -0.98 0.00 -0.04 0.00 0.00 175.30 174.32 1wg6 n MET 76 N 4.42 -0.35 -0.39 3.89 0.00 -1.26 -3.02 117.12 120.40 1wg6 n MET 76 Ca -0.23 -0.10 0.00 0.00 0.00 0.00 0.00 57.70 57.37 1wg6 n MET 76 Cb 0.50 -1.20 0.00 0.00 0.00 0.00 0.00 33.22 32.52 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 2.12 0.00 -4.56 3.17 5.03 0.32 -4.88 115.26 116.47 1wg6 n ASN 77 Ca -0.01 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.11 1wg6 n ASN 77 Cb 0.68 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 39.40 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 -3.33 5.33 0.29 6.41 1.11 -1.17 -4.64 116.67 120.68 1wg6 s ASP 78 Ca 0.00 -0.28 -0.28 0.00 0.18 0.00 0.00 52.55 52.17 1wg6 s ASP 78 Cb 0.00 -2.55 -0.14 0.00 1.07 0.00 0.00 42.92 41.30 1wg6 s ASP 78 CO 0.00 -2.47 1.08 1.67 1.18 0.00 0.00 175.17 176.63 1wg6 n GLN 79 N 9.03 1.49 -3.11 8.23 7.27 -1.26 -3.38 117.38 135.64 1wg6 n GLN 79 Ca 0.29 0.52 -0.44 0.00 0.07 0.00 0.00 57.00 57.45 1wg6 n GLN 79 Cb 0.49 -1.94 -0.06 0.00 2.41 0.00 0.00 30.24 31.14 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 0.22 4.89 0.00 1.69 1.02 -0.67 -3.68 118.68 122.14 1wg6 s LEU 80 Ca 0.59 -0.89 0.16 0.00 0.02 0.00 0.00 54.13 54.01 1wg6 s LEU 80 Cb -0.69 -2.48 0.49 0.00 0.02 0.00 0.00 46.19 43.53 1wg6 s LEU 80 CO 0.59 -0.96 1.39 2.30 0.02 0.00 0.00 176.35 179.69 1wg6 n ILE 81 N 5.68 0.48 0.00 -0.59 -5.35 0.37 -4.24 119.36 115.72 1wg6 n ILE 81 Ca -0.06 -0.53 0.00 0.00 -0.27 0.00 0.00 62.75 61.89 1wg6 n ILE 81 Cb 0.45 0.37 0.00 0.00 -1.74 0.00 0.00 39.64 38.72 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 0.72 0.00 -3.61 -1.28 0.00 -1.24 -4.27 120.51 110.83 1wg6 n ALA 82 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.56 1wg6 n ALA 82 Cb 0.38 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.77 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 -1.50 0.00 0.11 0.44 -2.91 120.40 114.13 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 4.70 -4.57 0.00 3.54 3.02 0.13 0.15 115.26 122.23 1wg6 n ASN 84 Ca -0.15 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1wg6 n ASN 84 Cb 0.54 -3.96 0.00 0.00 -0.61 0.00 0.00 39.78 35.76 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 -0.67 1.51 3.80 7.41 0.00 -1.26 -4.88 105.19 111.10 1wg6 n GLY 85 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.51 4.38 0.68 1.61 2.12 0.39 -5.05 118.70 122.32 1wg6 s GLU 86 Ca 0.00 0.95 -0.13 0.00 0.36 0.00 0.00 54.97 56.16 1wg6 s GLU 86 Cb 0.00 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 31.20 1wg6 s GLU 86 CO 0.00 0.57 1.07 -0.08 -0.54 0.00 0.00 175.26 176.28 1wg6 s THR 87 N -1.20 3.74 0.00 -1.70 -1.32 -1.26 0.17 115.64 114.06 1wg6 s THR 87 Ca 0.34 0.66 0.00 0.00 -1.21 0.00 0.00 61.69 61.48 1wg6 s THR 87 Cb -0.21 -3.26 0.00 0.00 -1.51 0.00 0.00 72.50 67.52 1wg6 s THR 87 CO 0.23 -0.64 0.00 0.18 -2.21 0.00 0.00 174.62 172.18 1wg6 n LEU 88 N -2.82 0.02 -0.24 9.08 4.77 -1.26 -4.70 117.00 121.85 1wg6 n LEU 88 Ca 0.08 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.10 1wg6 n LEU 88 Cb 0.53 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.76 1wg6 n LEU 88 CO 0.52 -0.21 0.84 -0.07 -1.33 0.00 0.00 177.39 177.14 1wg6 h LEU 89 N 0.00 -0.27 -1.77 2.23 3.38 -1.82 0.85 115.31 117.91 1wg6 h LEU 89 Ca 0.00 0.17 0.14 0.00 0.09 0.00 0.00 57.88 58.28 1wg6 h LEU 89 Cb 0.57 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 1wg6 h LEU 89 CO 0.00 -0.13 0.43 1.23 0.09 0.00 0.00 178.44 180.05 1wg6 h GLY 90 N 0.13 0.37 0.00 0.83 0.00 -1.95 -3.41 103.07 99.04 1wg6 h GLY 90 Ca 0.38 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1wg6 h GLY 90 CO -0.59 0.04 0.00 0.28 0.00 0.00 0.00 176.54 176.27 1wg6 n LYS 91 N -4.44 0.52 -1.27 4.80 5.02 0.30 -5.11 118.16 117.97 1wg6 n LYS 91 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1wg6 n LYS 91 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 1wg6 n LYS 91 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1wg6 n SER 92 N -2.28 1.01 0.13 4.39 2.88 -1.26 -4.87 113.62 113.61 1wg6 n SER 92 Ca 0.00 -0.85 -0.02 0.00 -1.33 0.00 0.00 58.87 56.68 1wg6 n SER 92 Cb 0.00 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 63.63 1wg6 n SER 92 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1wg6 h ASN 93 N 0.00 0.04 0.00 -3.46 4.21 -1.92 -2.22 115.58 112.22 1wg6 h ASN 93 Ca 0.00 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.49 1wg6 h ASN 93 Cb 0.00 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.19 1wg6 h ASN 93 CO 0.00 0.63 -0.00 -0.74 -1.29 0.00 0.00 177.43 176.03 1wg6 h HIS 94 N 0.02 0.00 -0.98 1.19 2.76 -1.96 -3.22 115.15 112.96 1wg6 h HIS 94 Ca -0.01 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.25 1wg6 h HIS 94 Cb 1.07 0.00 -0.12 0.00 1.55 0.00 0.00 27.41 29.91 1wg6 h HIS 94 CO 0.00 0.00 -0.57 0.39 -1.30 0.00 0.00 177.93 176.45 1wg6 n GLU 95 N -2.06 -0.43 0.00 5.26 1.02 -1.26 0.11 120.64 123.29 1wg6 n GLU 95 Ca -0.00 1.49 0.00 0.00 -0.02 0.00 0.00 57.16 58.63 1wg6 n GLU 95 Cb 0.00 -2.19 0.00 0.00 -0.02 0.00 0.00 31.44 29.23 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 -3.27 -0.03 -0.30 0.62 0.00 -0.83 0.18 120.51 116.88 1wg6 n ALA 96 Ca 0.02 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.73 1wg6 n ALA 96 Cb 0.26 0.40 0.60 0.00 0.00 0.00 0.00 19.45 20.72 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 0.23 0.00 0.00 2.86 -1.29 1.27 114.93 118.00 1wg6 h MET 97 Ca 0.00 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.54 1wg6 h MET 97 Cb 0.00 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1wg6 h MET 97 CO 0.00 0.15 -0.43 1.05 1.06 0.00 0.00 176.91 178.74 1wg6 h GLU 98 N 0.23 0.00 -0.01 1.72 4.11 0.58 -3.04 114.58 118.17 1wg6 h GLU 98 Ca 0.56 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.77 1wg6 h GLU 98 Cb 1.73 0.00 0.02 0.00 0.50 0.00 0.00 28.75 31.00 1wg6 h GLU 98 CO -0.17 0.43 -0.84 1.15 0.07 0.00 0.00 179.01 179.65 1wg6 h THR 99 N 0.00 1.34 0.00 -1.06 2.02 1.18 -3.03 112.91 113.35 1wg6 h THR 99 Ca -0.00 -2.15 0.00 0.00 0.77 0.00 0.00 66.41 65.03 1wg6 h THR 99 Cb 0.87 2.43 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 1wg6 h THR 99 CO 0.06 0.65 0.00 -0.11 0.37 0.00 0.00 175.52 176.49 1wg6 n LEU 100 N -4.01 0.00 -0.33 2.58 7.94 -0.43 0.39 117.00 123.14 1wg6 n LEU 100 Ca -0.10 0.85 0.22 0.00 -1.11 0.00 0.00 56.01 55.87 1wg6 n LEU 100 Cb 0.78 -0.35 0.49 0.00 0.53 0.00 0.00 43.42 44.87 1wg6 n LEU 100 CO 0.52 -0.35 1.21 0.08 -1.11 0.00 0.00 177.39 177.73 1wg6 h ARG 101 N 0.00 0.40 0.19 1.96 0.11 -1.70 0.27 114.38 115.62 1wg6 h ARG 101 Ca 0.00 -0.02 0.01 0.00 0.10 0.00 0.00 59.98 60.07 1wg6 h ARG 101 Cb 0.00 -0.09 -0.03 0.00 1.11 0.00 0.00 29.97 30.96 1wg6 h ARG 101 CO 0.00 0.27 -0.27 -0.09 0.10 0.00 0.00 179.97 179.97 1wg6 h ARG 102 N 0.42 -0.51 -0.57 0.08 2.43 -0.38 0.12 114.38 115.97 1wg6 h ARG 102 Ca 0.61 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.73 1wg6 h ARG 102 Cb 1.49 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 31.13 1wg6 h ARG 102 CO -0.33 -0.34 0.02 0.77 -1.51 0.00 0.00 179.97 178.58 1wg6 h SER 103 N -0.53 0.94 0.03 -3.80 0.02 0.22 0.50 113.55 110.93 1wg6 h SER 103 Ca 0.01 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1wg6 h SER 103 Cb 0.52 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 1wg6 h SER 103 CO -0.11 0.98 -0.01 0.24 -1.14 0.00 0.00 176.83 176.79 1wg6 h MET 104 N 0.90 0.00 0.01 3.45 2.86 -0.03 1.87 114.93 123.98 1wg6 h MET 104 Ca 0.17 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.45 1wg6 h MET 104 Cb 0.49 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.09 1wg6 h MET 104 CO 0.02 0.01 -2.21 0.43 1.06 0.00 0.00 176.91 176.22 1wg6 n SER 105 N -3.86 0.76 -0.01 1.22 7.64 0.37 -3.84 113.62 115.90 1wg6 n SER 105 Ca -0.03 0.09 -0.01 0.00 1.01 0.00 0.00 58.87 59.93 1wg6 n SER 105 Cb 0.10 0.32 -0.00 0.00 -1.01 0.00 0.00 64.21 63.62 1wg6 n SER 105 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1wg6 n MET 106 N -2.98 0.08 0.30 1.43 2.00 0.17 -3.28 117.12 114.84 1wg6 n MET 106 Ca -0.31 0.23 0.14 0.00 0.00 0.00 0.00 57.70 57.76 1wg6 n MET 106 Cb 1.09 -0.85 0.77 0.00 0.00 0.00 0.00 33.22 34.24 1wg6 n MET 106 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1wg6 h GLU 107 N -0.17 0.00 -0.01 0.03 4.39 0.26 1.52 114.58 120.60 1wg6 h GLU 107 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1wg6 h GLU 107 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1wg6 h GLU 107 CO 0.00 0.00 -0.45 0.41 -1.16 0.00 0.00 179.01 177.81 1wg6 n GLY 108 N -1.22 -0.42 0.09 -3.84 0.00 -0.15 -1.87 105.19 97.79 1wg6 n GLY 108 Ca -0.02 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.53 1.86 0.01 1.61 3.02 0.51 -2.78 115.26 118.97 1wg6 n ASN 109 Ca 0.10 0.49 -0.19 0.00 -0.03 0.00 0.00 54.58 54.95 1wg6 n ASN 109 Cb 0.40 -0.86 -0.09 0.00 -0.61 0.00 0.00 39.78 38.61 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 1.31 0.00 2.41 -2.65 -1.55 -3.39 117.51 112.63 1wg6 h ILE 110 Ca -0.16 -2.11 0.00 0.00 1.03 0.00 0.00 64.86 63.63 1wg6 h ILE 110 Cb 0.91 2.28 0.00 0.00 -2.05 0.00 0.00 36.82 37.96 1wg6 h ILE 110 CO -0.10 0.65 0.00 -1.14 0.03 0.00 0.00 178.15 177.59 1wg6 n ARG 111 N -3.96 0.00 0.00 0.16 3.00 -1.01 -5.03 116.66 109.81 1wg6 n ARG 111 Ca -0.10 0.27 0.00 0.00 -0.00 0.00 0.00 57.85 58.03 1wg6 n ARG 111 Cb 0.79 -0.75 0.00 0.00 0.00 0.00 0.00 32.46 32.50 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 1.88 1.34 3.72 5.14 0.00 -0.78 -4.95 105.19 111.54 1wg6 n GLY 112 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1wg6 n GLY 112 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wg6 s MET 113 N 0.00 1.84 0.05 1.61 0.23 -1.23 0.19 119.30 121.99 1wg6 s MET 113 Ca 0.00 -1.27 0.03 0.00 -1.03 0.00 0.00 55.69 53.42 1wg6 s MET 113 Cb 0.00 0.55 -0.02 0.00 -1.53 0.00 0.00 34.83 33.83 1wg6 s MET 113 CO 0.00 -0.82 -0.10 -1.50 -2.03 0.00 0.00 175.02 170.57 1wg6 s ILE 114 N -3.46 0.78 0.05 3.16 2.07 0.18 -3.81 121.20 120.18 1wg6 s ILE 114 Ca 0.18 -1.06 0.05 0.00 -1.41 0.00 0.00 60.65 58.41 1wg6 s ILE 114 Cb -0.03 -0.78 -0.04 0.00 0.13 0.00 0.00 42.46 41.74 1wg6 s ILE 114 CO 0.10 -0.23 -0.07 -1.58 -1.91 0.00 0.00 174.94 171.25 1wg6 s GLN 115 N -1.43 2.40 -0.06 3.50 0.74 -1.26 -0.20 119.66 123.35 1wg6 s GLN 115 Ca -0.05 -0.85 0.02 0.00 0.05 0.00 0.00 55.36 54.53 1wg6 s GLN 115 Cb -0.09 -2.43 0.02 0.00 1.10 0.00 0.00 33.01 31.60 1wg6 s GLN 115 CO 0.01 0.56 -0.09 -0.51 -0.55 0.00 0.00 175.29 174.71 1wg6 s LEU 116 N -1.84 1.49 -0.23 3.68 1.43 -0.75 0.21 118.68 122.67 1wg6 s LEU 116 Ca 0.20 -0.23 -0.03 0.00 -1.03 0.00 0.00 54.13 53.04 1wg6 s LEU 116 Cb -0.11 -0.67 0.00 0.00 0.03 0.00 0.00 46.19 45.44 1wg6 s LEU 116 CO 0.11 -0.01 -0.05 -0.69 0.23 0.00 0.00 176.35 175.95 1wg6 s VAL 117 N 0.81 3.19 0.21 -1.59 1.01 -1.14 -1.90 120.40 120.98 1wg6 s VAL 117 Ca -0.12 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.26 1wg6 s VAL 117 Cb -0.15 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1wg6 s VAL 117 CO 0.02 0.35 0.00 0.27 0.00 0.00 0.00 175.10 175.74 1wg6 s ILE 118 N 1.43 3.64 -0.12 2.22 -5.25 -0.93 -0.48 121.20 121.70 1wg6 s ILE 118 Ca 0.04 -1.60 0.02 0.00 -0.99 0.00 0.00 60.65 58.12 1wg6 s ILE 118 Cb -0.15 -2.87 0.01 0.00 2.95 0.00 0.00 42.46 42.40 1wg6 s ILE 118 CO -0.04 -0.21 -0.17 -0.22 -1.79 0.00 0.00 174.94 172.51 1wg6 s LEU 119 N -3.23 1.84 -0.21 0.37 1.98 -1.24 -2.54 118.68 115.64 1wg6 s LEU 119 Ca 0.29 -0.49 -0.01 0.00 -2.89 0.00 0.00 54.13 51.03 1wg6 s LEU 119 Cb -0.08 -1.21 0.01 0.00 0.66 0.00 0.00 46.19 45.57 1wg6 s LEU 119 CO 0.19 0.02 -0.12 -0.60 -1.89 0.00 0.00 176.35 173.96 1wg6 s ARG 120 N 1.01 3.05 1.01 1.98 3.52 -0.55 -4.68 118.95 124.29 1wg6 s ARG 120 Ca -0.05 -0.81 -0.20 0.00 -0.13 0.00 0.00 55.73 54.54 1wg6 s ARG 120 Cb -0.15 -2.81 -0.10 0.00 -1.56 0.00 0.00 34.95 30.33 1wg6 s ARG 120 CO -0.03 -0.26 -0.73 0.54 -0.81 0.00 0.00 175.30 174.01 1wg6 n ARG 121 N 4.68 -0.29 -0.13 5.12 1.74 -1.26 -2.60 116.66 123.93 1wg6 n ARG 121 Ca -0.19 -0.07 -0.04 0.00 -0.77 0.00 0.00 57.85 56.77 1wg6 n ARG 121 Cb 0.49 -1.24 0.02 0.00 -1.02 0.00 0.00 32.46 30.71 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 -1.25 -0.30 0.00 0.55 0.87 -1.94 -3.42 113.55 108.06 1wg6 h SER 122 Ca -0.44 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1wg6 h SER 122 Cb 1.34 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.52 1wg6 h SER 122 CO 0.27 -0.10 0.00 0.61 -0.53 0.00 0.00 176.83 177.07 1wg6 n GLY 123 N -1.30 5.19 3.58 5.77 0.00 -1.26 -4.97 105.19 112.20 1wg6 n GLY 123 Ca 0.03 -1.39 -0.36 0.00 0.00 0.00 0.00 46.02 44.30 1wg6 n GLY 123 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wg6 s PRO 124 N 1.08 3.25 0.22 1.61 0.04 -1.26 -4.93 135.00 135.01 1wg6 s PRO 124 Ca 0.00 -1.55 0.05 0.00 0.04 0.00 0.00 61.00 59.54 1wg6 s PRO 124 Cb 0.00 -5.39 -0.03 0.00 0.04 0.00 0.00 34.50 29.12 1wg6 s PRO 124 CO 0.00 -3.09 0.30 -1.12 0.04 0.00 0.00 177.00 173.14 1wg6 s SER 125 N 5.39 6.15 0.03 6.66 0.01 -1.26 -4.96 113.70 125.71 1wg6 s SER 125 Ca 0.61 0.03 -0.28 0.00 1.31 0.00 0.00 55.95 57.62 1wg6 s SER 125 Cb 0.01 -1.78 0.07 0.00 0.21 0.00 0.00 66.02 64.54 1wg6 s SER 125 CO 0.10 -0.03 0.68 -0.44 0.41 0.00 0.00 173.24 173.95 1wg6 s SER 126 N -3.74 -0.60 0.00 2.44 0.01 -1.26 -5.08 113.70 105.48 1wg6 s SER 126 Ca 0.34 0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.99 1wg6 s SER 126 Cb -0.09 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.68 1wg6 s SER 126 CO 0.28 -0.73 0.06 0.61 0.41 0.00 0.00 173.24 173.87