#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 -0.38 0.00 1.61 0.15 -1.26 -5.18 113.70 108.65 1wg6 s SER 2 Ca 0.00 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.24 1wg6 s SER 2 Cb 0.00 1.19 0.00 0.00 -1.71 0.00 0.00 66.02 65.50 1wg6 s SER 2 CO 0.00 -0.09 0.00 -0.24 1.20 0.00 0.00 173.24 174.11 1wg6 n SER 3 N 3.66 0.00 0.00 5.45 2.88 -1.26 -5.17 113.62 119.19 1wg6 n SER 3 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1wg6 n SER 3 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1wg6 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg6 n GLY 4 N -0.16 2.17 3.45 0.46 0.00 -1.26 -5.17 105.19 104.68 1wg6 n GLY 4 Ca 0.00 0.31 0.01 0.00 0.00 0.00 0.00 46.02 46.34 1wg6 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wg6 s SER 5 N 0.00 -1.03 0.08 1.61 1.04 -1.26 -5.17 113.70 108.97 1wg6 s SER 5 Ca 0.00 1.16 -0.27 0.00 0.48 0.00 0.00 55.95 57.32 1wg6 s SER 5 Cb 0.00 2.07 0.08 0.00 0.10 0.00 0.00 66.02 68.28 1wg6 s SER 5 CO 0.00 -0.20 1.03 -0.94 0.98 0.00 0.00 173.24 174.12 1wg6 s SER 6 N 2.79 -0.17 0.00 7.02 1.04 -1.26 -5.16 113.70 117.96 1wg6 s SER 6 Ca 0.01 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.17 1wg6 s SER 6 Cb -0.11 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1wg6 s SER 6 CO -0.19 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 173.94 1wg6 n GLY 7 N -0.43 0.15 2.02 7.32 0.00 -1.26 -5.10 105.19 107.90 1wg6 n GLY 7 Ca -0.07 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.48 -0.46 -3.88 0.99 4.32 -1.26 -5.18 117.00 111.05 1wg6 n LEU 8 Ca 0.00 0.17 0.01 0.00 -0.02 0.00 0.00 56.01 56.17 1wg6 n LEU 8 Cb 0.00 0.61 0.01 0.00 -1.62 0.00 0.00 43.42 42.42 1wg6 n LEU 8 CO 0.00 -0.46 1.01 -1.59 -1.22 0.00 0.00 177.39 175.13 1wg6 s LYS 9 N -1.25 0.64 0.00 3.23 0.00 -1.26 -5.18 119.74 115.92 1wg6 s LYS 9 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 55.97 55.57 1wg6 s LYS 9 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 37.83 38.01 1wg6 s LYS 9 CO 0.00 -0.30 0.00 0.41 0.00 0.00 0.00 175.35 175.46 1wg6 n GLY 10 N -0.76 4.78 3.07 0.59 0.00 -1.26 -5.17 105.19 106.44 1wg6 n GLY 10 Ca -0.01 -1.28 -0.11 0.00 0.00 0.00 0.00 46.02 44.62 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 4.83 0.38 -0.04 1.61 2.02 -1.26 -5.09 118.70 121.16 1wg6 s GLU 11 Ca 0.00 -0.29 -0.06 0.00 0.02 0.00 0.00 54.97 54.64 1wg6 s GLU 11 Cb 0.00 0.16 -0.03 0.00 0.10 0.00 0.00 34.13 34.35 1wg6 s GLU 11 CO 0.00 -0.08 0.34 -1.00 0.02 0.00 0.00 175.26 174.54 1wg6 h PRO 12 N 4.72 -0.21 -3.65 0.39 0.13 -2.08 -3.50 132.00 127.79 1wg6 h PRO 12 Ca -0.30 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1wg6 h PRO 12 Cb 1.20 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1wg6 h PRO 12 CO 0.41 -0.14 -0.30 -3.47 -0.23 0.00 0.00 178.00 174.26 1wg6 n ASP 13 N -3.93 -3.85 -0.03 1.44 -0.08 -1.26 -5.00 116.55 103.84 1wg6 n ASP 13 Ca -0.03 0.44 0.01 0.00 -1.51 0.00 0.00 54.79 53.70 1wg6 n ASP 13 Cb 0.09 -2.33 0.01 0.00 2.34 0.00 0.00 41.12 41.22 1wg6 n ASP 13 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wg6 n TYR 15 N -0.38 0.66 -1.52 0.00 9.36 -1.26 -4.95 117.16 119.07 1wg6 n TYR 15 Ca 0.01 0.94 0.00 0.00 3.32 0.00 0.00 57.90 62.17 1wg6 n TYR 15 Cb 0.38 -2.13 0.00 0.00 -0.63 0.00 0.00 39.34 36.96 1wg6 n TYR 15 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1wg6 n ALA 16 N 1.40 0.00 -2.00 2.98 0.00 -1.26 -5.11 120.51 116.52 1wg6 n ALA 16 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1wg6 n ALA 16 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 1wg6 n ALA 16 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wg6 n LEU 17 N 0.00 0.00 -3.83 0.00 4.77 -1.26 -5.18 117.00 111.50 1wg6 n LEU 17 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1wg6 n LEU 17 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1wg6 n LEU 17 CO 0.00 0.00 0.38 -0.44 -1.33 0.00 0.00 177.39 176.00 1wg6 s SER 18 N 1.00 -0.26 0.00 -1.43 0.01 -1.26 -5.08 113.70 106.69 1wg6 s SER 18 Ca 0.00 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.67 1wg6 s SER 18 Cb 0.00 0.67 0.00 0.00 0.21 0.00 0.00 66.02 66.90 1wg6 s SER 18 CO 0.00 -1.23 0.00 0.00 0.41 0.00 0.00 173.24 172.42 1wg6 n LEU 19 N -0.42 0.15 -4.68 2.44 -0.00 -1.26 -5.06 117.00 108.18 1wg6 n LEU 19 Ca -0.06 0.00 -0.48 0.00 -0.00 0.00 0.00 56.01 55.47 1wg6 n LEU 19 Cb 0.61 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.98 1wg6 n LEU 19 CO 0.16 -0.28 1.41 -1.84 -0.00 0.00 0.00 177.39 176.85 1wg6 n GLU 20 N -2.44 2.13 -3.85 1.47 0.28 -1.26 -4.92 120.64 112.05 1wg6 n GLU 20 Ca 0.00 0.78 -0.07 0.00 -0.16 0.00 0.00 57.16 57.71 1wg6 n GLU 20 Cb 0.12 -2.60 -0.02 0.00 1.43 0.00 0.00 31.44 30.37 1wg6 n GLU 20 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1wg6 s SER 21 N 3.32 -0.24 1.16 -1.84 1.04 -1.26 -5.16 113.70 110.72 1wg6 s SER 21 Ca 0.90 -0.62 -0.17 0.00 0.48 0.00 0.00 55.95 56.54 1wg6 s SER 21 Cb -0.70 0.71 0.19 0.00 0.10 0.00 0.00 66.02 66.31 1wg6 s SER 21 CO 0.49 -1.32 0.34 -1.20 0.98 0.00 0.00 173.24 172.53 1wg6 n SER 22 N -0.52 -2.60 -4.68 7.02 7.64 -1.26 -5.00 113.62 114.23 1wg6 n SER 22 Ca -0.04 -0.28 -0.32 0.00 1.01 0.00 0.00 58.87 59.24 1wg6 n SER 22 Cb 0.59 -0.98 -0.09 0.00 -1.01 0.00 0.00 64.21 62.73 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 -3.81 2.67 0.01 1.43 8.01 -1.16 -5.04 118.70 120.82 1wg6 s GLU 23 Ca 0.56 -0.71 0.01 0.00 0.01 0.00 0.00 54.97 54.84 1wg6 s GLU 23 Cb -0.13 -2.60 -0.01 0.00 -4.31 0.00 0.00 34.13 27.07 1wg6 s GLU 23 CO 0.59 0.59 -0.03 -1.14 0.01 0.00 0.00 175.26 175.28 1wg6 s GLN 24 N -1.85 0.24 0.17 1.61 -0.44 -1.26 -0.91 119.66 117.22 1wg6 s GLN 24 Ca 0.22 -0.32 0.11 0.00 -2.50 0.00 0.00 55.36 52.86 1wg6 s GLN 24 Cb -0.12 -0.08 -0.04 0.00 -1.64 0.00 0.00 33.01 31.14 1wg6 s GLN 24 CO 0.13 0.01 -0.24 -0.51 0.50 0.00 0.00 175.29 175.19 1wg6 s LEU 25 N -0.68 2.39 -0.15 3.68 1.43 -0.83 -5.00 118.68 119.52 1wg6 s LEU 25 Ca -0.06 -0.82 -0.02 0.00 -1.03 0.00 0.00 54.13 52.20 1wg6 s LEU 25 Cb -0.05 -1.11 0.05 0.00 0.03 0.00 0.00 46.19 45.11 1wg6 s LEU 25 CO -0.00 0.11 0.00 -0.89 0.23 0.00 0.00 176.35 175.80 1wg6 s THR 26 N -1.52 0.64 0.10 5.49 2.01 -1.26 -2.13 115.64 118.96 1wg6 s THR 26 Ca 0.17 -0.38 0.04 0.00 0.31 0.00 0.00 61.69 61.83 1wg6 s THR 26 Cb -0.08 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 1wg6 s THR 26 CO 0.08 0.02 0.05 -0.76 -0.69 0.00 0.00 174.62 173.31 1wg6 s LEU 27 N 1.83 3.62 -0.14 4.42 2.01 -0.94 -4.98 118.68 124.52 1wg6 s LEU 27 Ca 0.01 -0.12 0.03 0.00 0.01 0.00 0.00 54.13 54.05 1wg6 s LEU 27 Cb -0.15 -2.32 0.01 0.00 0.01 0.00 0.00 46.19 43.74 1wg6 s LEU 27 CO -0.07 0.15 -0.22 -1.61 1.01 0.00 0.00 176.35 175.61 1wg6 s GLU 28 N -2.49 3.00 -0.18 1.70 2.02 -1.26 -1.89 118.70 119.60 1wg6 s GLU 28 Ca 0.28 -0.85 0.01 0.00 0.02 0.00 0.00 54.97 54.43 1wg6 s GLU 28 Cb -0.11 -2.41 0.03 0.00 0.10 0.00 0.00 34.13 31.74 1wg6 s GLU 28 CO 0.20 0.00 -0.14 0.42 0.02 0.00 0.00 175.26 175.77 1wg6 s ILE 29 N 0.77 1.76 0.33 -1.63 1.01 -0.06 -4.95 121.20 118.44 1wg6 s ILE 29 Ca -0.08 -0.91 -0.27 0.00 0.00 0.00 0.00 60.65 59.39 1wg6 s ILE 29 Cb -0.16 -1.71 -0.09 0.00 0.01 0.00 0.00 42.46 40.51 1wg6 s ILE 29 CO -0.01 0.34 1.07 -2.16 0.00 0.00 0.00 174.94 174.18 1wg6 s PRO 30 N 1.38 4.43 -0.28 2.79 0.04 -1.26 -0.28 135.00 141.82 1wg6 s PRO 30 Ca 0.02 1.66 0.08 0.00 0.04 0.00 0.00 61.00 62.79 1wg6 s PRO 30 Cb -0.15 -2.90 0.45 0.00 0.04 0.00 0.00 34.50 31.95 1wg6 s PRO 30 CO -0.10 0.07 1.23 1.28 0.04 0.00 0.00 177.00 179.51 1wg6 n LEU 31 N 0.63 4.47 0.27 -3.56 4.77 0.79 -4.63 117.00 119.75 1wg6 n LEU 31 Ca 0.02 -4.52 -0.11 0.00 -0.03 0.00 0.00 56.01 51.36 1wg6 n LEU 31 Cb 0.47 -0.41 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 1wg6 n LEU 31 CO 0.50 1.91 0.41 0.78 -1.33 0.00 0.00 177.39 179.66 1wg6 h ASN 32 N 1.88 -0.60 0.18 -1.43 2.35 -1.90 -0.29 115.58 115.76 1wg6 h ASN 32 Ca 0.29 0.02 -0.34 0.00 -0.55 0.00 0.00 56.30 55.72 1wg6 h ASN 32 Cb 1.40 0.16 -0.06 0.00 0.05 0.00 0.00 38.32 39.86 1wg6 h ASN 32 CO 0.60 -0.36 -2.13 0.47 -1.65 0.00 0.00 177.43 174.35 1wg6 n ASP 33 N -4.31 0.35 0.23 5.81 8.00 -1.26 -4.05 116.55 121.31 1wg6 n ASP 33 Ca -0.09 0.16 0.14 0.00 0.71 0.00 0.00 54.79 55.71 1wg6 n ASP 33 Cb 0.28 0.58 0.42 0.00 -0.02 0.00 0.00 41.12 42.39 1wg6 n ASP 33 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1wg6 h SER 34 N 0.00 0.00 -0.30 -2.24 0.87 -1.82 -3.07 113.55 106.99 1wg6 h SER 34 Ca -0.45 0.00 0.09 0.00 -1.23 0.00 0.00 61.79 60.20 1wg6 h SER 34 Cb 2.16 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.11 1wg6 h SER 34 CO 0.05 0.00 0.27 1.23 -0.53 0.00 0.00 176.83 177.85 1wg6 h GLY 35 N 3.13 0.00 0.02 5.77 0.00 -1.18 1.21 103.07 112.01 1wg6 h GLY 35 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1wg6 h GLY 35 CO 0.00 0.00 -0.46 1.76 0.00 0.00 0.00 176.54 177.84 1wg6 h SER 36 N 0.00 -1.43 0.03 0.19 0.02 -1.77 -3.28 113.55 107.32 1wg6 h SER 36 Ca 0.14 0.18 -0.35 0.00 -0.84 0.00 0.00 61.79 60.92 1wg6 h SER 36 Cb 0.69 0.56 -0.04 0.00 0.14 0.00 0.00 62.40 63.75 1wg6 h SER 36 CO -0.00 -0.46 -1.98 0.00 -1.14 0.00 0.00 176.83 173.24 1wg6 n ALA 37 N -2.94 1.03 0.00 3.77 0.00 -0.86 -5.11 120.51 116.39 1wg6 n ALA 37 Ca -0.05 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.61 1wg6 n ALA 37 Cb 0.37 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 1.68 0.70 0.16 0.00 0.00 0.41 -4.89 105.19 103.25 1wg6 n GLY 38 Ca -0.40 -2.07 -0.04 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.83 -0.69 0.99 3.38 -1.93 -3.42 115.31 112.81 1wg6 h LEU 39 Ca 0.00 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1wg6 h LEU 39 Cb 0.00 0.37 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1wg6 h LEU 39 CO 0.00 -0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.05 1wg6 n GLY 40 N -1.10 0.74 3.16 0.83 0.00 -1.26 -3.84 105.19 103.72 1wg6 n GLY 40 Ca 0.01 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.97 0.11 -0.17 1.61 -7.23 -1.26 -4.22 120.40 107.27 1wg6 s VAL 41 Ca 0.00 -0.90 -0.09 0.00 -1.81 0.00 0.00 61.98 59.18 1wg6 s VAL 41 Cb 0.00 -0.83 -0.05 0.00 0.56 0.00 0.00 36.38 36.06 1wg6 s VAL 41 CO 0.00 -0.50 0.14 -0.94 -0.31 0.00 0.00 175.10 173.49 1wg6 s SER 42 N -1.98 6.28 0.48 4.85 1.04 -1.17 -5.01 113.70 118.19 1wg6 s SER 42 Ca -0.07 0.33 0.02 0.00 0.48 0.00 0.00 55.95 56.71 1wg6 s SER 42 Cb -0.02 -2.09 -0.01 0.00 0.10 0.00 0.00 66.02 64.00 1wg6 s SER 42 CO -0.03 0.26 0.06 -0.76 0.98 0.00 0.00 173.24 173.75 1wg6 s LEU 43 N -0.14 2.13 -0.06 2.42 1.43 -1.26 0.62 118.68 123.81 1wg6 s LEU 43 Ca 0.11 -1.71 -0.12 0.00 -1.03 0.00 0.00 54.13 51.38 1wg6 s LEU 43 Cb -0.11 -0.45 0.02 0.00 0.03 0.00 0.00 46.19 45.68 1wg6 s LEU 43 CO 0.00 -0.94 0.30 -1.59 0.23 0.00 0.00 176.35 174.35 1wg6 s LYS 44 N -3.80 0.52 -0.35 1.70 -2.85 0.58 -4.63 119.74 110.91 1wg6 s LYS 44 Ca 0.10 0.06 -0.06 0.00 -1.00 0.00 0.00 55.97 55.07 1wg6 s LYS 44 Cb 0.01 0.24 0.05 0.00 -2.06 0.00 0.00 37.83 36.06 1wg6 s LYS 44 CO 0.07 -0.12 0.11 0.20 0.10 0.00 0.00 175.35 175.71 1wg6 s GLY 45 N -0.69 1.85 0.11 0.59 0.00 -1.26 -1.89 107.32 106.03 1wg6 s GLY 45 Ca -0.08 -1.82 -0.23 0.00 0.00 0.00 0.00 44.72 42.58 1wg6 s GLY 45 CO 0.02 0.80 0.71 -1.31 0.00 0.00 0.00 173.10 173.32 1wg6 s ASN 46 N 1.48 7.25 0.08 1.64 -0.87 -1.21 -5.05 114.94 118.26 1wg6 s ASN 46 Ca -0.01 1.48 0.06 0.00 -1.57 0.00 0.00 52.86 52.82 1wg6 s ASN 46 Cb -0.20 -2.45 -0.03 0.00 -0.02 0.00 0.00 41.25 38.55 1wg6 s ASN 46 CO 0.02 0.19 -0.16 -0.75 -2.57 0.00 0.00 177.10 173.83 1wg6 s LYS 47 N -0.91 0.90 -0.10 -0.60 2.20 -1.26 -2.65 119.74 117.32 1wg6 s LYS 47 Ca 0.34 -1.02 0.01 0.00 -0.36 0.00 0.00 55.97 54.94 1wg6 s LYS 47 Cb -0.21 -0.98 -0.02 0.00 -1.51 0.00 0.00 37.83 35.11 1wg6 s LYS 47 CO 0.23 0.22 -0.14 0.45 -0.36 0.00 0.00 175.35 175.75 1wg6 s SER 48 N -1.80 3.99 -0.17 1.43 0.15 -0.85 -4.82 113.70 111.63 1wg6 s SER 48 Ca 0.00 -0.29 -0.14 0.00 0.70 0.00 0.00 55.95 56.22 1wg6 s SER 48 Cb -0.10 -1.37 -0.22 0.00 -1.71 0.00 0.00 66.02 62.62 1wg6 s SER 48 CO 0.03 0.22 0.26 0.54 1.20 0.00 0.00 173.24 175.49 1wg6 n ARG 49 N 3.15 0.66 -0.10 5.44 1.74 -1.26 -2.45 116.66 123.84 1wg6 n ARG 49 Ca -0.18 0.40 -0.11 0.00 -0.77 0.00 0.00 57.85 57.20 1wg6 n ARG 49 Cb 0.53 -1.72 -0.08 0.00 -1.02 0.00 0.00 32.46 30.17 1wg6 n ARG 49 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1wg6 h GLU 50 N -0.45 -0.32 -0.26 5.56 4.81 -1.97 -2.20 114.58 119.75 1wg6 h GLU 50 Ca -0.40 0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 58.73 1wg6 h GLU 50 Cb 1.69 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 31.14 1wg6 h GLU 50 CO -0.07 -0.21 -0.31 1.79 -0.73 0.00 0.00 179.01 179.48 1wg6 h THR 51 N -0.33 1.31 -0.12 0.32 1.35 -2.01 -3.47 112.91 109.96 1wg6 h THR 51 Ca 0.05 -1.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.42 1wg6 h THR 51 Cb 0.48 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 1wg6 h THR 51 CO -0.46 0.47 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1wg6 n GLY 52 N 0.22 1.26 0.00 5.82 0.00 -0.83 -5.09 105.19 106.58 1wg6 n GLY 52 Ca -0.04 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.78 0.00 -3.99 2.61 5.66 -1.04 -5.01 114.28 110.73 1wg6 n THR 53 Ca 0.00 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.66 1wg6 n THR 53 Cb 0.19 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 68.82 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 0.56 3.98 0.51 1.09 1.47 -1.26 -2.00 116.67 121.02 1wg6 s ASP 54 Ca 0.00 -0.68 0.21 0.00 1.18 0.00 0.00 52.55 53.26 1wg6 s ASP 54 Cb 0.00 -1.63 1.30 0.00 -0.34 0.00 0.00 42.92 42.25 1wg6 s ASP 54 CO 0.00 -0.06 2.02 -0.07 0.68 0.00 0.00 175.17 177.74 1wg6 h LEU 55 N 8.02 0.07 0.00 2.11 3.38 -1.82 -3.48 115.31 123.59 1wg6 h LEU 55 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1wg6 h LEU 55 Cb 1.13 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1wg6 h LEU 55 CO 0.60 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.78 1wg6 n GLY 56 N -1.60 0.56 3.73 0.83 0.00 -1.23 -5.04 105.19 102.44 1wg6 n GLY 56 Ca 0.08 -1.87 -0.23 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.97 3.15 -0.27 -0.61 -1.09 -1.26 -3.31 121.20 115.83 1wg6 s ILE 57 Ca 0.00 -1.71 -0.22 0.00 -2.23 0.00 0.00 60.65 56.49 1wg6 s ILE 57 Cb 0.00 -2.98 0.08 0.00 -1.58 0.00 0.00 42.46 37.98 1wg6 s ILE 57 CO 0.00 -0.22 0.75 -0.36 -1.23 0.00 0.00 174.94 173.88 1wg6 s PHE 58 N -2.40 -0.83 0.49 3.97 0.40 -0.79 -3.22 117.98 115.60 1wg6 s PHE 58 Ca 0.37 1.89 -0.22 0.00 -0.60 0.00 0.00 56.93 58.37 1wg6 s PHE 58 Cb -0.03 0.38 -0.07 0.00 0.51 0.00 0.00 43.02 43.81 1wg6 s PHE 58 CO 0.22 -0.40 1.16 0.42 0.70 0.00 0.00 175.22 177.32 1wg6 s ILE 59 N 0.74 3.07 -0.21 0.64 1.01 -1.25 -0.31 121.20 124.89 1wg6 s ILE 59 Ca -0.03 0.76 -0.16 0.00 0.00 0.00 0.00 60.65 61.22 1wg6 s ILE 59 Cb -0.05 -3.36 -0.10 0.00 0.01 0.00 0.00 42.46 38.96 1wg6 s ILE 59 CO -0.06 -0.05 -0.21 1.17 0.00 0.00 0.00 174.94 175.78 1wg6 n LYS 60 N -0.77 0.54 -3.60 2.79 4.81 0.20 0.18 118.16 122.31 1wg6 n LYS 60 Ca 0.09 0.36 -0.04 0.00 -0.87 0.00 0.00 58.31 57.85 1wg6 n LYS 60 Cb 0.49 -1.56 -0.02 0.00 0.02 0.00 0.00 35.03 33.96 1wg6 n LYS 60 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1wg6 s SER 61 N -6.56 -0.13 -0.09 3.14 0.15 -0.78 -4.64 113.70 104.79 1wg6 s SER 61 Ca -0.29 -0.02 -0.05 0.00 0.70 0.00 0.00 55.95 56.28 1wg6 s SER 61 Cb 0.07 0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.50 1wg6 s SER 61 CO 0.44 -0.26 0.12 -0.63 1.20 0.00 0.00 173.24 174.10 1wg6 s ILE 62 N -2.45 5.24 -0.49 6.45 1.09 -1.26 -3.07 121.20 126.71 1wg6 s ILE 62 Ca 0.10 0.05 -0.17 0.00 -1.10 0.00 0.00 60.65 59.53 1wg6 s ILE 62 Cb -0.00 -3.29 0.07 0.00 -1.06 0.00 0.00 42.46 38.17 1wg6 s ILE 62 CO -0.05 0.57 0.51 -0.63 -0.10 0.00 0.00 174.94 175.25 1wg6 s ILE 63 N -1.04 5.05 1.35 2.92 1.09 -1.26 -4.97 121.20 124.34 1wg6 s ILE 63 Ca 0.16 -0.77 -0.22 0.00 -1.10 0.00 0.00 60.65 58.73 1wg6 s ILE 63 Cb -0.12 -4.21 0.34 0.00 -1.06 0.00 0.00 42.46 37.40 1wg6 s ILE 63 CO 0.06 -0.69 0.76 1.41 -0.10 0.00 0.00 174.94 176.38 1wg6 n HIS 64 N 5.70 -3.52 -3.40 3.97 8.25 -1.26 -3.36 115.22 121.60 1wg6 n HIS 64 Ca -0.09 -0.65 -0.22 0.00 -0.26 0.00 0.00 57.72 56.49 1wg6 n HIS 64 Cb 0.45 -1.23 -0.02 0.00 1.12 0.00 0.00 29.99 30.30 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 -4.82 -0.47 0.00 -1.41 0.00 -1.26 -4.83 105.19 92.40 1wg6 n GLY 65 Ca 0.12 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.97 5.36 0.07 -0.02 0.00 -1.21 -5.04 105.19 103.37 1wg6 n GLY 66 Ca 0.02 -1.19 -0.04 0.00 0.00 0.00 0.00 46.02 44.80 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 1.02 0.01 -0.81 4.61 0.00 -1.79 -3.36 119.26 118.92 1wg6 h ALA 67 Ca 0.00 -0.40 0.19 0.00 0.00 0.00 0.00 54.91 54.70 1wg6 h ALA 67 Cb 0.00 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1wg6 h ALA 67 CO 0.00 0.38 0.55 0.00 0.00 0.00 0.00 179.25 180.19 1wg6 h ALA 68 N -0.98 2.31 -0.85 0.00 0.00 -1.82 -1.35 119.26 116.57 1wg6 h ALA 68 Ca -0.01 0.00 0.28 0.00 0.00 0.00 0.00 54.91 55.18 1wg6 h ALA 68 Cb 0.41 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.03 1wg6 h ALA 68 CO -0.01 -0.55 0.18 0.34 0.00 0.00 0.00 179.25 179.21 1wg6 n PHE 69 N -4.45 0.71 0.00 0.00 7.35 -1.23 0.19 117.46 120.04 1wg6 n PHE 69 Ca 0.17 1.02 -0.09 0.00 -0.76 0.00 0.00 57.45 57.78 1wg6 n PHE 69 Cb 0.68 -1.24 -0.03 0.00 0.35 0.00 0.00 39.48 39.23 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 -0.15 0.00 -4.13 1.57 -1.45 0.82 116.57 113.23 1wg6 h LYS 70 Ca 0.59 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.38 1wg6 h LYS 70 Cb 1.37 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.72 1wg6 h LYS 70 CO -0.75 -0.10 0.00 -3.47 -0.57 0.00 0.00 179.45 174.56 1wg6 n ASP 71 N -5.27 0.44 -0.57 0.86 2.03 0.51 -3.76 116.55 110.79 1wg6 n ASP 71 Ca -0.03 0.55 0.44 0.00 0.52 0.00 0.00 54.79 56.26 1wg6 n ASP 71 Cb 0.19 -0.67 0.68 0.00 -0.72 0.00 0.00 41.12 40.60 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 1.13 -0.82 0.66 0.27 0.00 0.51 0.43 105.19 107.37 1wg6 n GLY 72 Ca 0.06 0.59 0.48 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 -3.72 0.00 -0.68 1.61 1.85 -1.25 -4.34 116.66 110.13 1wg6 n ARG 73 Ca 0.37 1.03 -0.30 0.00 -1.00 0.00 0.00 57.85 57.95 1wg6 n ARG 73 Cb 1.65 -2.39 0.26 0.00 -1.05 0.00 0.00 32.46 30.93 1wg6 n ARG 73 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1wg6 s LEU 74 N -7.49 -0.16 -0.09 2.89 1.43 0.17 -5.04 118.68 110.39 1wg6 s LEU 74 Ca -0.04 0.84 0.01 0.00 -1.03 0.00 0.00 54.13 53.91 1wg6 s LEU 74 Cb 0.24 -2.46 0.02 0.00 0.03 0.00 0.00 46.19 44.02 1wg6 s LEU 74 CO 0.80 -4.72 -0.11 -0.13 0.23 0.00 0.00 176.35 172.42 1wg6 s ARG 75 N -5.13 1.75 1.02 1.70 1.81 -1.26 -4.99 118.95 113.84 1wg6 s ARG 75 Ca 0.69 -0.39 -0.23 0.00 -1.72 0.00 0.00 55.73 54.08 1wg6 s ARG 75 Cb -0.13 -1.57 -0.12 0.00 -0.45 0.00 0.00 34.95 32.69 1wg6 s ARG 75 CO 0.58 -0.09 -1.00 0.00 -0.68 0.00 0.00 175.30 174.10 1wg6 n MET 76 N 4.28 -0.34 -0.97 3.54 0.00 -1.26 -2.85 117.12 119.53 1wg6 n MET 76 Ca -0.19 -0.09 0.00 0.00 0.00 0.00 0.00 57.70 57.42 1wg6 n MET 76 Cb 0.51 -1.19 0.00 0.00 0.00 0.00 0.00 33.22 32.54 1wg6 n MET 76 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1wg6 n ASN 77 N 2.20 -2.86 -4.56 3.17 2.85 0.46 -4.79 115.26 111.74 1wg6 n ASN 77 Ca -0.01 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.11 1wg6 n ASN 77 Cb 0.68 -1.15 -0.04 0.00 1.24 0.00 0.00 39.78 40.51 1wg6 n ASN 77 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 1wg6 s ASP 78 N -2.18 5.65 0.15 1.20 1.11 -1.13 -4.58 116.67 116.89 1wg6 s ASP 78 Ca 0.00 -0.63 -0.33 0.00 0.18 0.00 0.00 52.55 51.77 1wg6 s ASP 78 Cb 0.00 -2.56 -0.17 0.00 1.07 0.00 0.00 42.92 41.26 1wg6 s ASP 78 CO 0.00 -2.23 0.96 1.67 1.18 0.00 0.00 175.17 176.75 1wg6 n GLN 79 N 9.00 0.58 -3.25 8.23 7.27 -1.26 -3.81 117.38 134.15 1wg6 n GLN 79 Ca 0.29 0.21 -0.44 0.00 0.07 0.00 0.00 57.00 57.12 1wg6 n GLN 79 Cb 0.49 -1.56 -0.06 0.00 2.41 0.00 0.00 30.24 31.52 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 1.12 5.46 0.00 1.69 1.02 -1.20 -3.60 118.68 123.18 1wg6 s LEU 80 Ca 0.74 -1.29 0.20 0.00 0.02 0.00 0.00 54.13 53.80 1wg6 s LEU 80 Cb -0.96 -2.30 0.75 0.00 0.02 0.00 0.00 46.19 43.70 1wg6 s LEU 80 CO 0.55 -0.85 1.54 2.30 0.02 0.00 0.00 176.35 179.91 1wg6 n ILE 81 N 5.41 0.20 0.00 -0.59 -5.35 -0.22 -4.36 119.36 114.45 1wg6 n ILE 81 Ca -0.10 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 1wg6 n ILE 81 Cb 0.43 0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.61 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 0.19 0.00 -3.61 -1.28 0.00 -1.25 -4.46 120.51 110.10 1wg6 n ALA 82 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.58 1wg6 n ALA 82 Cb 0.29 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.84 -1.57 0.00 0.11 -0.29 -3.19 120.40 112.62 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 -3.20 -3.33 0.00 0.00 175.10 168.57 1wg6 n ASN 84 N 5.27 -4.68 0.00 3.54 2.85 -1.14 0.12 115.26 121.22 1wg6 n ASN 84 Ca -0.12 0.36 0.00 0.00 -0.11 0.00 0.00 54.58 54.71 1wg6 n ASN 84 Cb 0.50 -3.97 0.00 0.00 1.24 0.00 0.00 39.78 37.55 1wg6 n ASN 84 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wg6 n GLY 85 N -0.14 2.34 3.74 8.20 0.00 -1.26 -4.95 105.19 113.12 1wg6 n GLY 85 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.86 1.71 -0.10 1.61 0.41 0.32 -5.04 118.70 116.75 1wg6 s GLU 86 Ca 0.00 1.03 -0.01 0.00 -0.41 0.00 0.00 54.97 55.58 1wg6 s GLU 86 Cb 0.00 -1.84 -0.03 0.00 -1.78 0.00 0.00 34.13 30.48 1wg6 s GLU 86 CO 0.00 -1.98 -0.06 -0.08 -0.49 0.00 0.00 175.26 172.65 1wg6 s THR 87 N -2.90 3.77 -0.08 3.63 -1.32 -1.26 -1.14 115.64 116.34 1wg6 s THR 87 Ca 0.62 -0.43 0.04 0.00 -1.21 0.00 0.00 61.69 60.72 1wg6 s THR 87 Cb -0.18 -2.59 -0.08 0.00 -1.51 0.00 0.00 72.50 68.14 1wg6 s THR 87 CO 0.57 0.56 -0.02 0.18 -2.21 0.00 0.00 174.62 173.70 1wg6 n LEU 88 N 2.77 1.12 0.27 9.08 4.77 -1.26 -4.33 117.00 129.42 1wg6 n LEU 88 Ca -0.18 -0.02 0.12 0.00 -0.03 0.00 0.00 56.01 55.90 1wg6 n LEU 88 Cb 0.53 -0.01 0.76 0.00 -2.33 0.00 0.00 43.42 42.37 1wg6 n LEU 88 CO 0.29 0.36 1.04 -0.07 -1.33 0.00 0.00 177.39 177.68 1wg6 h LEU 89 N 0.00 0.00 -0.05 2.23 3.38 -1.83 -0.69 115.31 118.36 1wg6 h LEU 89 Ca -0.21 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.57 1wg6 h LEU 89 Cb 1.41 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.13 1wg6 h LEU 89 CO -0.01 0.07 -0.91 1.23 0.09 0.00 0.00 178.44 178.92 1wg6 h GLY 90 N 0.36 0.00 0.00 0.83 0.00 -1.96 -3.46 103.07 98.84 1wg6 h GLY 90 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wg6 h GLY 90 CO 0.01 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.83 1wg6 n LYS 91 N -3.36 2.27 0.00 4.80 5.02 -0.26 -5.12 118.16 121.51 1wg6 n LYS 91 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1wg6 n LYS 91 Cb 0.89 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.90 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 -0.40 1.19 -0.03 4.39 7.64 -1.26 -4.89 113.62 120.26 1wg6 n SER 92 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1wg6 n SER 92 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 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 0.00 0.03 0.11 6.43 4.21 -1.91 -2.60 115.58 121.85 1wg6 h ASN 93 Ca 0.00 -0.68 -0.01 0.00 1.21 0.00 0.00 56.30 56.82 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 0.71 -0.05 1.12 -1.29 0.00 0.00 177.43 177.91 1wg6 h HIS 94 N -0.65 -0.14 -0.20 1.19 2.07 -1.97 -1.97 115.15 113.47 1wg6 h HIS 94 Ca -0.00 -0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.53 1wg6 h HIS 94 Cb 0.71 0.05 -0.02 0.00 2.57 0.00 0.00 27.41 30.71 1wg6 h HIS 94 CO 0.16 -0.09 -0.12 0.39 -3.07 0.00 0.00 177.93 175.21 1wg6 n GLU 95 N -2.49 -0.09 0.00 5.12 1.02 -1.26 0.11 120.64 123.06 1wg6 n GLU 95 Ca -0.02 1.01 0.00 0.00 -0.02 0.00 0.00 57.16 58.13 1wg6 n GLU 95 Cb 0.06 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 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 -3.00 -0.00 -0.32 0.62 0.00 -0.98 0.17 120.51 117.00 1wg6 n ALA 96 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.49 1wg6 n ALA 96 Cb 0.05 0.45 0.12 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.50 0.00 2.86 -0.51 1.69 114.93 118.47 1wg6 h MET 97 Ca 0.00 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1wg6 h MET 97 Cb 0.00 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1wg6 h MET 97 CO 0.00 0.00 0.33 1.05 1.06 0.00 0.00 176.91 179.35 1wg6 h GLU 98 N 0.00 0.64 -0.02 1.72 -0.00 0.36 -1.71 114.58 115.58 1wg6 h GLU 98 Ca 0.43 -0.04 -0.24 0.00 -0.00 0.00 0.00 59.36 59.52 1wg6 h GLU 98 Cb 0.66 -0.14 0.01 0.00 -0.00 0.00 0.00 28.75 29.28 1wg6 h GLU 98 CO -0.92 0.42 -0.94 1.15 -0.00 0.00 0.00 179.01 178.72 1wg6 h THR 99 N 0.66 1.34 0.09 -1.06 2.02 1.23 -2.22 112.91 114.97 1wg6 h THR 99 Ca 0.19 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 65.08 1wg6 h THR 99 Cb -0.05 2.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 1wg6 h THR 99 CO -0.04 0.70 -0.25 0.25 0.37 0.00 0.00 175.52 176.54 1wg6 h LEU 100 N 0.34 -0.75 -0.51 2.58 5.85 0.17 0.72 115.31 123.70 1wg6 h LEU 100 Ca -0.09 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.76 1wg6 h LEU 100 Cb 1.58 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 42.83 1wg6 h LEU 100 CO 0.18 -0.28 0.23 0.08 -0.34 0.00 0.00 178.44 178.31 1wg6 h ARG 101 N -0.38 0.43 -0.80 1.25 0.11 -1.57 -1.16 114.38 112.26 1wg6 h ARG 101 Ca -0.01 -0.03 0.13 0.00 0.10 0.00 0.00 59.98 60.18 1wg6 h ARG 101 Cb 0.37 -0.10 -0.09 0.00 1.11 0.00 0.00 29.97 31.27 1wg6 h ARG 101 CO -0.12 0.28 0.39 -0.09 0.10 0.00 0.00 179.97 180.53 1wg6 h ARG 102 N 0.44 0.56 -0.44 0.08 2.43 -0.93 -0.18 114.38 116.34 1wg6 h ARG 102 Ca 0.24 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1wg6 h ARG 102 Cb 0.20 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1wg6 h ARG 102 CO -0.20 0.37 0.20 0.77 -1.51 0.00 0.00 179.97 179.60 1wg6 h SER 103 N 0.58 0.59 -0.76 -3.80 0.02 0.16 1.26 113.55 111.61 1wg6 h SER 103 Ca 0.43 -0.15 0.22 0.00 -0.84 0.00 0.00 61.79 61.45 1wg6 h SER 103 Cb 0.59 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 1wg6 h SER 103 CO -0.35 0.58 0.56 0.24 -1.14 0.00 0.00 176.83 176.71 1wg6 h MET 104 N 0.57 0.00 0.00 3.45 2.86 -0.01 2.12 114.93 123.92 1wg6 h MET 104 Ca 0.15 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.67 1wg6 h MET 104 Cb 0.15 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1wg6 h MET 104 CO -0.02 0.00 -1.24 0.45 1.06 0.00 0.00 176.91 177.16 1wg6 n SER 105 N -4.24 1.91 0.25 1.22 2.88 -0.75 -3.38 113.62 111.51 1wg6 n SER 105 Ca 0.15 0.41 -0.12 0.00 -1.33 0.00 0.00 58.87 57.98 1wg6 n SER 105 Cb 0.84 -0.81 -0.06 0.00 -0.75 0.00 0.00 64.21 63.44 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 -1.00 -0.67 0.00 -1.46 2.07 0.18 1.07 114.93 115.12 1wg6 h MET 106 Ca -0.18 0.05 -0.01 0.00 -2.07 0.00 0.00 59.70 57.48 1wg6 h MET 106 Cb 1.05 0.15 -0.00 0.00 -1.87 0.00 0.00 31.60 30.93 1wg6 h MET 106 CO -0.11 -0.41 -0.07 0.93 1.07 0.00 0.00 176.91 178.33 1wg6 h GLU 107 N -1.14 0.00 -0.00 1.72 4.39 0.26 -1.59 114.58 118.21 1wg6 h GLU 107 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1wg6 h GLU 107 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1wg6 h GLU 107 CO 0.12 0.07 -0.68 0.41 -1.16 0.00 0.00 179.01 177.76 1wg6 n GLY 108 N -0.26 -0.86 0.11 -3.84 0.00 0.52 -2.82 105.19 98.04 1wg6 n GLY 108 Ca -0.01 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.31 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 0.53 0.44 0.52 1.61 -1.24 0.22 0.20 115.58 117.85 1wg6 h ASN 109 Ca 0.00 -0.96 -0.30 0.00 0.71 0.00 0.00 56.30 55.76 1wg6 h ASN 109 Cb 0.54 -0.14 0.01 0.00 0.73 0.00 0.00 38.32 39.46 1wg6 h ASN 109 CO 0.00 1.37 -1.36 0.16 -1.29 0.00 0.00 177.43 176.31 1wg6 h ILE 110 N -0.41 1.38 0.00 2.57 -2.65 -1.68 -3.40 117.51 113.32 1wg6 h ILE 110 Ca -0.14 -2.93 0.00 0.00 1.03 0.00 0.00 64.86 62.82 1wg6 h ILE 110 Cb 1.61 2.93 0.00 0.00 -2.05 0.00 0.00 36.82 39.30 1wg6 h ILE 110 CO 0.14 0.86 0.00 0.54 0.03 0.00 0.00 178.15 179.72 1wg6 n ARG 111 N -3.55 0.00 0.00 0.16 5.12 -1.13 -5.03 116.66 112.22 1wg6 n ARG 111 Ca -0.12 0.25 0.00 0.00 -1.93 0.00 0.00 57.85 56.05 1wg6 n ARG 111 Cb 1.05 -0.72 0.00 0.00 -1.16 0.00 0.00 32.46 31.63 1wg6 n ARG 111 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wg6 n GLY 112 N 1.94 0.69 0.36 -0.13 0.00 0.69 -5.01 105.19 103.73 1wg6 n GLY 112 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1wg6 n GLY 112 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1wg6 n MET 113 N 0.00 0.10 -3.95 1.61 0.00 -1.25 -0.15 117.12 113.49 1wg6 n MET 113 Ca 0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 57.70 57.38 1wg6 n MET 113 Cb 0.00 0.27 -0.07 0.00 0.00 0.00 0.00 33.22 33.42 1wg6 n MET 113 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 175.97 174.47 1wg6 s ILE 114 N -2.83 0.08 0.16 3.17 2.07 0.62 -3.96 121.20 120.50 1wg6 s ILE 114 Ca 0.02 -1.36 0.06 0.00 -1.41 0.00 0.00 60.65 57.95 1wg6 s ILE 114 Cb -0.00 -1.77 -0.04 0.00 0.13 0.00 0.00 42.46 40.77 1wg6 s ILE 114 CO 0.01 -0.35 -0.12 -1.58 -1.91 0.00 0.00 174.94 171.00 1wg6 s GLN 115 N -3.95 1.13 -0.08 3.50 0.74 -1.26 -0.88 119.66 118.86 1wg6 s GLN 115 Ca 0.15 -1.47 -0.00 0.00 0.05 0.00 0.00 55.36 54.09 1wg6 s GLN 115 Cb 0.04 -0.79 0.03 0.00 1.10 0.00 0.00 33.01 33.38 1wg6 s GLN 115 CO -0.02 0.12 -0.04 -0.51 -0.55 0.00 0.00 175.29 174.29 1wg6 s LEU 116 N -3.15 0.95 -0.37 3.68 1.43 -0.79 -2.89 118.68 117.54 1wg6 s LEU 116 Ca 0.18 -0.17 -0.09 0.00 -1.03 0.00 0.00 54.13 53.02 1wg6 s LEU 116 Cb 0.01 -0.58 0.05 0.00 0.03 0.00 0.00 46.19 45.69 1wg6 s LEU 116 CO 0.03 -0.14 0.18 -0.69 0.23 0.00 0.00 176.35 175.96 1wg6 s VAL 117 N 1.65 4.17 0.10 -1.59 1.01 -1.19 -2.20 120.40 122.34 1wg6 s VAL 117 Ca 0.01 -1.11 0.03 0.00 0.00 0.00 0.00 61.98 60.91 1wg6 s VAL 117 Cb -0.13 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1wg6 s VAL 117 CO -0.05 -0.28 0.12 0.27 0.00 0.00 0.00 175.10 175.16 1wg6 s ILE 118 N 1.46 4.70 -0.21 2.22 -5.25 -0.91 -1.06 121.20 122.16 1wg6 s ILE 118 Ca 0.01 -0.78 0.01 0.00 -0.99 0.00 0.00 60.65 58.90 1wg6 s ILE 118 Cb -0.20 -3.31 0.04 0.00 2.95 0.00 0.00 42.46 41.94 1wg6 s ILE 118 CO 0.04 0.06 -0.11 -0.22 -1.79 0.00 0.00 174.94 172.92 1wg6 s LEU 119 N -2.63 2.43 -0.48 0.37 1.98 -1.24 -1.96 118.68 117.16 1wg6 s LEU 119 Ca 0.31 -0.95 -0.16 0.00 -2.89 0.00 0.00 54.13 50.44 1wg6 s LEU 119 Cb -0.12 -1.29 0.07 0.00 0.66 0.00 0.00 46.19 45.51 1wg6 s LEU 119 CO 0.24 -0.14 0.42 -0.60 -1.89 0.00 0.00 176.35 174.38 1wg6 s ARG 120 N 1.35 2.99 0.00 1.98 3.52 -0.08 -4.71 118.95 124.00 1wg6 s ARG 120 Ca -0.02 -1.31 0.00 0.00 -0.13 0.00 0.00 55.73 54.27 1wg6 s ARG 120 Cb -0.17 -4.13 0.00 0.00 -1.56 0.00 0.00 34.95 29.09 1wg6 s ARG 120 CO -0.08 -1.05 0.00 0.54 -0.81 0.00 0.00 175.30 173.90 1wg6 n ARG 121 N 5.31 0.00 -0.08 5.12 1.74 -1.26 -3.00 116.66 124.49 1wg6 n ARG 121 Ca -0.12 0.05 -0.07 0.00 -0.77 0.00 0.00 57.85 56.93 1wg6 n ARG 121 Cb 0.44 -0.37 -0.03 0.00 -1.02 0.00 0.00 32.46 31.48 1wg6 n ARG 121 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wg6 n SER 122 N -1.14 1.87 0.00 0.55 2.88 -1.26 -4.86 113.62 111.67 1wg6 n SER 122 Ca 0.00 0.49 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 1wg6 n SER 122 Cb 0.00 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 1wg6 n SER 122 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg6 n GLY 123 N 1.53 -1.23 0.00 0.46 0.00 -1.26 -5.01 105.19 99.68 1wg6 n GLY 123 Ca -0.12 0.47 0.11 0.00 0.00 0.00 0.00 46.02 46.48 1wg6 n GLY 123 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wg6 n PRO 124 N 0.00 0.75 -2.76 1.61 -0.04 -1.26 -4.73 135.00 128.57 1wg6 n PRO 124 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 1wg6 n PRO 124 Cb 0.00 -1.46 -0.03 0.00 -0.04 0.00 0.00 33.50 31.97 1wg6 n PRO 124 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wg6 s SER 125 N -1.93 7.06 -0.19 3.54 1.04 -1.26 -4.93 113.70 117.03 1wg6 s SER 125 Ca 0.33 1.32 -0.09 0.00 0.48 0.00 0.00 55.95 57.99 1wg6 s SER 125 Cb 0.15 -2.51 0.07 0.00 0.10 0.00 0.00 66.02 63.84 1wg6 s SER 125 CO 0.25 -0.52 0.44 -0.94 0.98 0.00 0.00 173.24 173.46 1wg6 s SER 126 N 1.18 -0.45 0.00 7.02 1.04 -1.26 -5.18 113.70 116.04 1wg6 s SER 126 Ca 0.42 0.99 0.22 0.00 0.48 0.00 0.00 55.95 58.07 1wg6 s SER 126 Cb -0.16 1.08 1.32 0.00 0.10 0.00 0.00 66.02 68.36 1wg6 s SER 126 CO 0.11 -0.21 1.70 0.61 0.98 0.00 0.00 173.24 176.43