#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg6 n SER 2 N 0.00 -6.07 0.00 1.61 2.88 -1.26 -5.11 113.62 105.68 1wg6 n SER 2 Ca 0.00 0.82 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 1wg6 n SER 2 Cb 0.00 -2.81 0.00 0.00 -0.75 0.00 0.00 64.21 60.65 1wg6 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wg6 n SER 3 N -0.82 0.00 -3.31 -3.46 7.64 -1.26 -5.17 113.62 107.25 1wg6 n SER 3 Ca 0.00 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.91 1wg6 n SER 3 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1wg6 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wg6 s GLY 4 N 0.00 -0.08 -0.29 0.23 0.00 -1.26 -5.16 107.32 100.76 1wg6 s GLY 4 Ca 0.00 3.18 -0.18 0.00 0.00 0.00 0.00 44.72 47.72 1wg6 s GLY 4 CO 0.00 3.35 0.93 -1.35 0.00 0.00 0.00 173.10 176.03 1wg6 s SER 5 N 2.40 -0.58 0.25 1.64 1.04 -1.26 -5.18 113.70 112.02 1wg6 s SER 5 Ca -0.01 0.96 -0.22 0.00 0.48 0.00 0.00 55.95 57.16 1wg6 s SER 5 Cb -0.05 1.17 0.03 0.00 0.10 0.00 0.00 66.02 67.28 1wg6 s SER 5 CO -0.16 -0.15 0.74 -0.55 0.98 0.00 0.00 173.24 174.09 1wg6 s SER 6 N 1.13 -0.29 0.00 7.02 0.15 -1.26 -5.17 113.70 115.29 1wg6 s SER 6 Ca -0.06 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.08 1wg6 s SER 6 Cb -0.04 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 1wg6 s SER 6 CO -0.14 -1.24 0.00 0.61 1.20 0.00 0.00 173.24 173.67 1wg6 n GLY 7 N -0.45 4.61 3.10 9.45 0.00 -1.26 -5.15 105.19 115.49 1wg6 n GLY 7 Ca -0.06 -0.62 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 1wg6 n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wg6 s LEU 8 N 0.00 -0.60 0.13 0.99 1.02 -1.26 -5.15 118.68 113.80 1wg6 s LEU 8 Ca 0.00 0.66 -0.25 0.00 0.02 0.00 0.00 54.13 54.55 1wg6 s LEU 8 Cb 0.00 1.19 0.08 0.00 0.02 0.00 0.00 46.19 47.48 1wg6 s LEU 8 CO 0.00 -0.26 1.04 -0.75 0.02 0.00 0.00 176.35 176.41 1wg6 s LYS 9 N 2.57 1.06 0.08 1.70 2.47 -1.26 -5.11 119.74 121.25 1wg6 s LYS 9 Ca 0.04 -0.61 0.00 0.00 -1.56 0.00 0.00 55.97 53.84 1wg6 s LYS 9 Cb -0.13 0.34 0.00 0.00 -1.46 0.00 0.00 37.83 36.58 1wg6 s LYS 9 CO -0.13 -0.49 0.00 0.41 0.16 0.00 0.00 175.35 175.30 1wg6 n GLY 10 N -0.53 -0.15 1.49 5.54 0.00 -1.26 -5.16 105.19 105.13 1wg6 n GLY 10 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1wg6 n GLY 10 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wg6 n GLU 11 N -2.86 -3.68 -1.40 1.61 1.02 -1.26 -4.66 120.64 109.41 1wg6 n GLU 11 Ca 0.00 2.75 -0.42 0.00 -0.02 0.00 0.00 57.16 59.47 1wg6 n GLU 11 Cb 0.00 -2.81 -0.03 0.00 -0.02 0.00 0.00 31.44 28.58 1wg6 n GLU 11 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1wg6 n PRO 12 N 1.10 2.18 0.00 3.49 -0.04 -1.26 -4.71 135.00 135.77 1wg6 n PRO 12 Ca 0.00 -2.18 -0.11 0.00 -0.04 0.00 0.00 63.50 61.18 1wg6 n PRO 12 Cb 0.00 -3.06 -0.04 0.00 -0.04 0.00 0.00 33.50 30.35 1wg6 n PRO 12 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1wg6 h ASP 13 N 6.91 -1.01 -2.60 3.54 5.19 -2.06 -3.41 116.42 122.98 1wg6 h ASP 13 Ca 0.50 0.15 -0.60 0.00 -0.62 0.00 0.00 57.03 56.46 1wg6 h ASP 13 Cb 0.63 0.43 0.15 0.00 0.18 0.00 0.00 39.33 40.71 1wg6 h ASP 13 CO 1.91 -0.36 -0.30 0.00 -3.12 0.00 0.00 179.24 177.37 1wg6 s TYR 15 N -1.49 1.18 -0.23 0.00 5.04 -1.26 -5.14 117.35 115.45 1wg6 s TYR 15 Ca 0.65 -1.35 -0.03 0.00 -2.44 0.00 0.00 57.07 53.90 1wg6 s TYR 15 Cb -0.56 -0.43 0.07 0.00 0.35 0.00 0.00 41.96 41.40 1wg6 s TYR 15 CO 0.57 -0.81 0.07 0.00 -1.34 0.00 0.00 175.55 174.04 1wg6 s ALA 16 N -3.82 0.92 0.69 3.97 0.00 -1.26 -5.13 121.76 117.14 1wg6 s ALA 16 Ca 0.36 -0.88 -0.11 0.00 0.00 0.00 0.00 51.96 51.33 1wg6 s ALA 16 Cb 0.04 -1.27 0.01 0.00 0.00 0.00 0.00 23.12 21.89 1wg6 s ALA 16 CO 0.17 -1.35 1.07 -0.48 0.00 0.00 0.00 175.76 175.16 1wg6 s LEU 17 N 1.91 3.00 0.10 0.00 0.05 -1.26 -5.08 118.68 117.41 1wg6 s LEU 17 Ca 0.03 1.37 0.08 0.00 0.05 0.00 0.00 54.13 55.66 1wg6 s LEU 17 Cb -0.17 -4.23 -0.03 0.00 -2.05 0.00 0.00 46.19 39.71 1wg6 s LEU 17 CO -0.17 -1.34 -0.19 -0.44 -0.55 0.00 0.00 176.35 173.66 1wg6 s SER 18 N -4.08 2.36 0.55 1.48 0.01 -1.26 -5.14 113.70 107.61 1wg6 s SER 18 Ca 0.58 -0.69 -0.09 0.00 1.31 0.00 0.00 55.95 57.05 1wg6 s SER 18 Cb -0.12 -0.12 -0.04 0.00 0.21 0.00 0.00 66.02 65.94 1wg6 s SER 18 CO 0.54 0.02 0.92 -0.76 0.41 0.00 0.00 173.24 174.37 1wg6 s LEU 19 N -1.95 3.44 0.08 2.44 1.02 -1.26 -4.95 118.68 117.50 1wg6 s LEU 19 Ca 0.06 1.24 -0.36 0.00 0.02 0.00 0.00 54.13 55.08 1wg6 s LEU 19 Cb -0.09 -4.23 -0.18 0.00 0.02 0.00 0.00 46.19 41.70 1wg6 s LEU 19 CO 0.04 -0.71 0.99 -0.62 0.02 0.00 0.00 176.35 176.07 1wg6 n GLU 20 N -2.38 0.31 -3.63 1.70 1.02 -1.26 -4.95 120.64 111.44 1wg6 n GLU 20 Ca 0.04 0.11 -0.13 0.00 -0.02 0.00 0.00 57.16 57.16 1wg6 n GLU 20 Cb 0.54 -1.51 -0.07 0.00 -0.02 0.00 0.00 31.44 30.38 1wg6 n GLU 20 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1wg6 s SER 21 N -0.17 -0.68 1.29 1.62 0.01 -1.26 -5.17 113.70 109.34 1wg6 s SER 21 Ca 0.82 1.30 -0.20 0.00 1.31 0.00 0.00 55.95 59.18 1wg6 s SER 21 Cb -1.10 1.31 0.32 0.00 0.21 0.00 0.00 66.02 66.77 1wg6 s SER 21 CO 0.55 -0.24 1.02 -0.94 0.41 0.00 0.00 173.24 174.04 1wg6 s SER 22 N 0.30 0.09 -0.12 2.44 1.04 -1.26 -4.79 113.70 111.39 1wg6 s SER 22 Ca 0.00 0.83 0.01 0.00 0.48 0.00 0.00 55.95 57.27 1wg6 s SER 22 Cb -0.05 -1.19 0.02 0.00 0.10 0.00 0.00 66.02 64.90 1wg6 s SER 22 CO -0.00 -4.66 -0.14 -1.61 0.98 0.00 0.00 173.24 167.81 1wg6 s GLU 23 N -5.15 2.16 0.01 4.02 0.41 -0.31 -5.00 118.70 114.84 1wg6 s GLU 23 Ca 0.69 -0.52 0.04 0.00 -0.41 0.00 0.00 54.97 54.78 1wg6 s GLU 23 Cb -0.13 -1.91 -0.01 0.00 -1.78 0.00 0.00 34.13 30.29 1wg6 s GLU 23 CO 0.58 -0.14 -0.14 -1.14 -0.49 0.00 0.00 175.26 173.93 1wg6 s GLN 24 N 1.21 1.04 -0.08 1.61 -0.44 -1.26 0.14 119.66 121.89 1wg6 s GLN 24 Ca -0.02 -0.60 0.01 0.00 -2.50 0.00 0.00 55.36 52.26 1wg6 s GLN 24 Cb -0.14 -1.03 0.02 0.00 -1.64 0.00 0.00 33.01 30.22 1wg6 s GLN 24 CO -0.05 0.27 -0.09 -0.51 0.50 0.00 0.00 175.29 175.41 1wg6 s LEU 25 N -0.64 1.42 -0.41 3.68 1.43 -1.03 -4.99 118.68 118.13 1wg6 s LEU 25 Ca 0.04 -0.28 -0.16 0.00 -1.03 0.00 0.00 54.13 52.71 1wg6 s LEU 25 Cb -0.06 -0.78 0.02 0.00 0.03 0.00 0.00 46.19 45.40 1wg6 s LEU 25 CO 0.00 -0.04 0.35 -0.89 0.23 0.00 0.00 176.35 176.01 1wg6 s THR 26 N 1.10 5.19 -0.18 5.49 2.01 -1.26 -3.10 115.64 124.89 1wg6 s THR 26 Ca -0.07 -0.52 -0.04 0.00 0.31 0.00 0.00 61.69 61.37 1wg6 s THR 26 Cb -0.14 -3.96 -0.02 0.00 0.01 0.00 0.00 72.50 68.38 1wg6 s THR 26 CO -0.01 -0.34 -0.03 -0.76 -0.69 0.00 0.00 174.62 172.78 1wg6 s LEU 27 N 1.86 3.13 -0.30 4.42 2.01 -1.07 -4.97 118.68 123.76 1wg6 s LEU 27 Ca 0.08 -0.23 -0.08 0.00 0.01 0.00 0.00 54.13 53.91 1wg6 s LEU 27 Cb -0.18 -1.77 -0.01 0.00 0.01 0.00 0.00 46.19 44.24 1wg6 s LEU 27 CO 0.11 0.09 0.12 -1.61 1.01 0.00 0.00 176.35 176.07 1wg6 s GLU 28 N 0.83 3.33 -0.18 1.70 2.02 -1.26 -1.43 118.70 123.72 1wg6 s GLU 28 Ca -0.01 -0.71 -0.03 0.00 0.02 0.00 0.00 54.97 54.24 1wg6 s GLU 28 Cb -0.14 -3.47 -0.02 0.00 0.10 0.00 0.00 34.13 30.60 1wg6 s GLU 28 CO 0.02 -0.38 -0.05 0.42 0.02 0.00 0.00 175.26 175.28 1wg6 s ILE 29 N 1.58 3.57 0.32 -1.63 -1.09 -0.09 -4.96 121.20 118.90 1wg6 s ILE 29 Ca 0.04 -0.46 -0.28 0.00 -2.23 0.00 0.00 60.65 57.73 1wg6 s ILE 29 Cb -0.17 -2.58 -0.09 0.00 -1.58 0.00 0.00 42.46 38.05 1wg6 s ILE 29 CO 0.05 0.47 1.07 -2.16 -1.23 0.00 0.00 174.94 173.14 1wg6 s PRO 30 N 0.79 4.48 -0.33 2.79 0.04 -1.26 -0.43 135.00 141.07 1wg6 s PRO 30 Ca -0.02 1.68 0.06 0.00 0.04 0.00 0.00 61.00 62.77 1wg6 s PRO 30 Cb -0.15 -2.96 0.46 0.00 0.04 0.00 0.00 34.50 31.89 1wg6 s PRO 30 CO 0.02 0.10 1.33 1.28 0.04 0.00 0.00 177.00 179.77 1wg6 n LEU 31 N 0.76 4.98 0.34 -3.56 4.77 0.35 -4.65 117.00 119.99 1wg6 n LEU 31 Ca 0.01 -4.52 -0.14 0.00 -0.03 0.00 0.00 56.01 51.33 1wg6 n LEU 31 Cb 0.47 -0.47 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1wg6 n LEU 31 CO 0.51 1.88 0.53 -0.55 -1.33 0.00 0.00 177.39 178.43 1wg6 h ASN 32 N 1.93 -0.79 0.22 -1.43 7.08 -1.91 0.70 115.58 121.39 1wg6 h ASN 32 Ca 0.35 0.03 -0.06 0.00 -3.08 0.00 0.00 56.30 53.54 1wg6 h ASN 32 Cb 1.40 0.21 -0.01 0.00 -2.08 0.00 0.00 38.32 37.84 1wg6 h ASN 32 CO 0.76 -0.54 -1.83 -0.67 -2.08 0.00 0.00 177.43 173.07 1wg6 n ASP 33 N -4.43 0.21 -0.01 6.14 -0.08 -1.26 -4.38 116.55 112.74 1wg6 n ASP 33 Ca -0.11 0.08 -0.12 0.00 -1.51 0.00 0.00 54.79 53.14 1wg6 n ASP 33 Cb 0.35 1.47 -0.10 0.00 2.34 0.00 0.00 41.12 45.19 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 -0.07 -0.82 1.67 0.87 -1.83 -3.28 113.55 110.10 1wg6 h SER 34 Ca -0.08 -0.57 0.26 0.00 -1.23 0.00 0.00 61.79 60.17 1wg6 h SER 34 Cb 1.20 0.02 -0.15 0.00 -0.44 0.00 0.00 62.40 63.02 1wg6 h SER 34 CO 0.01 0.60 0.12 0.61 -0.53 0.00 0.00 176.83 177.64 1wg6 n GLY 35 N 0.86 -0.99 0.38 5.77 0.00 0.24 0.17 105.19 111.61 1wg6 n GLY 35 Ca -0.08 0.77 -0.01 0.00 0.00 0.00 0.00 46.02 46.70 1wg6 n GLY 35 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wg6 n SER 36 N -5.09 -0.63 -0.04 1.61 7.64 -1.23 -1.66 113.62 114.22 1wg6 n SER 36 Ca 0.22 1.70 -0.18 0.00 1.01 0.00 0.00 58.87 61.62 1wg6 n SER 36 Cb 0.74 -0.39 -0.14 0.00 -1.01 0.00 0.00 64.21 63.41 1wg6 n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wg6 n ALA 37 N -3.49 1.13 0.00 -0.43 0.00 0.23 -5.10 120.51 112.85 1wg6 n ALA 37 Ca 0.10 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1wg6 n ALA 37 Cb 0.39 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.30 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 1.99 0.70 0.27 0.00 0.00 0.44 -4.90 105.19 103.70 1wg6 n GLY 38 Ca -0.33 -2.08 -0.10 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 -0.64 0.00 0.99 3.38 -1.88 -3.36 115.31 113.80 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 0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1wg6 h LEU 39 CO 0.00 -0.40 0.00 0.61 0.09 0.00 0.00 178.44 178.74 1wg6 n GLY 40 N -1.33 1.25 3.05 0.83 0.00 -1.26 -4.01 105.19 103.73 1wg6 n GLY 40 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 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 0.17 -0.02 1.61 -7.23 -1.26 -3.95 120.40 107.71 1wg6 s VAL 41 Ca 0.00 -1.39 0.05 0.00 -1.81 0.00 0.00 61.98 58.82 1wg6 s VAL 41 Cb 0.00 -0.98 -0.03 0.00 0.56 0.00 0.00 36.38 35.94 1wg6 s VAL 41 CO 0.00 -0.77 -0.15 -0.55 -0.31 0.00 0.00 175.10 173.32 1wg6 s SER 42 N -2.28 3.97 0.41 4.85 0.15 -1.24 -5.06 113.70 114.49 1wg6 s SER 42 Ca -0.03 -0.26 0.07 0.00 0.70 0.00 0.00 55.95 56.43 1wg6 s SER 42 Cb 0.00 -0.78 -0.08 0.00 -1.71 0.00 0.00 66.02 63.46 1wg6 s SER 42 CO -0.06 0.32 0.02 -0.76 1.20 0.00 0.00 173.24 173.96 1wg6 s LEU 43 N -0.96 2.90 -0.02 3.45 1.43 -1.26 -0.47 118.68 123.75 1wg6 s LEU 43 Ca 0.13 -1.32 0.02 0.00 -1.03 0.00 0.00 54.13 51.93 1wg6 s LEU 43 Cb -0.11 -0.97 0.00 0.00 0.03 0.00 0.00 46.19 45.14 1wg6 s LEU 43 CO 0.02 -0.44 -0.08 -1.59 0.23 0.00 0.00 176.35 174.48 1wg6 s LYS 44 N -3.73 0.84 -0.17 1.70 -2.85 0.25 -4.73 119.74 111.06 1wg6 s LYS 44 Ca 0.36 -0.28 -0.14 0.00 -1.00 0.00 0.00 55.97 54.91 1wg6 s LYS 44 Cb 0.09 -0.80 -0.05 0.00 -2.06 0.00 0.00 37.83 35.01 1wg6 s LYS 44 CO 0.18 0.12 0.28 0.20 0.10 0.00 0.00 175.35 176.24 1wg6 s GLY 45 N 0.11 2.19 -0.05 0.59 0.00 -1.26 -0.53 107.32 108.37 1wg6 s GLY 45 Ca -0.01 -0.48 0.04 0.00 0.00 0.00 0.00 44.72 44.27 1wg6 s GLY 45 CO 0.00 0.42 -0.17 0.21 0.00 0.00 0.00 173.10 173.56 1wg6 s ASN 46 N 0.49 3.81 0.09 1.64 2.47 -1.20 -5.01 114.94 117.23 1wg6 s ASN 46 Ca 0.16 -0.27 0.07 0.00 0.42 0.00 0.00 52.86 53.24 1wg6 s ASN 46 Cb -0.13 -0.82 -0.03 0.00 -1.45 0.00 0.00 41.25 38.82 1wg6 s ASN 46 CO 0.03 0.32 -0.19 -0.75 -3.72 0.00 0.00 177.10 172.79 1wg6 s LYS 47 N -0.60 1.09 -0.13 0.43 2.20 -1.26 -1.82 119.74 119.65 1wg6 s LYS 47 Ca 0.09 -1.09 -0.02 0.00 -0.36 0.00 0.00 55.97 54.59 1wg6 s LYS 47 Cb -0.11 -1.29 -0.02 0.00 -1.51 0.00 0.00 37.83 34.89 1wg6 s LYS 47 CO 0.01 0.30 -0.07 -1.12 -0.36 0.00 0.00 175.35 174.11 1wg6 s SER 48 N -1.77 4.57 -0.15 1.43 0.01 -0.74 -4.85 113.70 112.20 1wg6 s SER 48 Ca 0.05 -0.16 -0.23 0.00 1.31 0.00 0.00 55.95 56.92 1wg6 s SER 48 Cb -0.10 -1.62 -0.20 0.00 0.21 0.00 0.00 66.02 64.31 1wg6 s SER 48 CO 0.04 0.21 0.53 -0.09 0.41 0.00 0.00 173.24 174.33 1wg6 h ARG 49 N 6.42 0.00 -0.88 12.44 2.43 -1.92 0.19 114.38 133.05 1wg6 h ARG 49 Ca -0.33 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 58.95 1wg6 h ARG 49 Cb 1.19 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 30.62 1wg6 h ARG 49 CO 0.59 0.82 -0.50 0.93 -1.51 0.00 0.00 179.97 180.31 1wg6 h GLU 50 N -1.00 -0.07 0.11 0.20 5.08 -1.97 -2.11 114.58 114.82 1wg6 h GLU 50 Ca -0.06 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.14 1wg6 h GLU 50 Cb 0.90 0.02 0.02 0.00 0.50 0.00 0.00 28.75 30.18 1wg6 h GLU 50 CO -0.04 -0.05 -0.71 1.79 -1.00 0.00 0.00 179.01 179.00 1wg6 h THR 51 N -0.07 1.53 0.00 1.13 1.35 -2.01 -3.48 112.91 111.36 1wg6 h THR 51 Ca 0.21 -2.50 0.00 0.00 -0.55 0.00 0.00 66.41 63.58 1wg6 h THR 51 Cb 0.51 3.20 0.00 0.00 -1.73 0.00 0.00 68.15 70.13 1wg6 h THR 51 CO -0.88 0.69 0.00 0.61 -0.25 0.00 0.00 175.52 175.69 1wg6 n GLY 52 N 1.66 0.73 3.96 5.82 0.00 0.65 -5.07 105.19 112.94 1wg6 n GLY 52 Ca -0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.24 5.00 -0.29 2.61 2.01 -1.18 -4.86 115.64 116.70 1wg6 s THR 53 Ca 0.00 -1.02 -0.28 0.00 0.31 0.00 0.00 61.69 60.70 1wg6 s THR 53 Cb 0.00 -3.75 0.01 0.00 0.01 0.00 0.00 72.50 68.77 1wg6 s THR 53 CO 0.00 -0.30 1.00 1.51 -0.69 0.00 0.00 174.62 176.14 1wg6 s ASP 54 N -4.00 6.91 0.33 3.53 1.47 -1.26 -1.79 116.67 121.86 1wg6 s ASP 54 Ca 0.36 1.05 0.06 0.00 1.18 0.00 0.00 52.55 55.19 1wg6 s ASP 54 Cb -0.09 -2.51 0.71 0.00 -0.34 0.00 0.00 42.92 40.69 1wg6 s ASP 54 CO 0.29 -0.76 1.86 -0.07 0.68 0.00 0.00 175.17 177.17 1wg6 h LEU 55 N 9.77 0.77 0.00 2.11 3.38 -1.69 -3.48 115.31 126.17 1wg6 h LEU 55 Ca -0.21 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1wg6 h LEU 55 Cb 1.07 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1wg6 h LEU 55 CO 0.98 0.40 0.00 0.61 0.09 0.00 0.00 178.44 180.52 1wg6 n GLY 56 N -1.40 0.60 3.35 0.83 0.00 -1.22 -4.99 105.19 102.36 1wg6 n GLY 56 Ca 0.18 -1.61 -0.32 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.32 2.52 -0.10 -0.61 -1.09 -1.26 -3.22 121.20 114.12 1wg6 s ILE 57 Ca 0.00 -0.90 0.02 0.00 -2.23 0.00 0.00 60.65 57.54 1wg6 s ILE 57 Cb 0.00 -1.96 0.01 0.00 -1.58 0.00 0.00 42.46 38.93 1wg6 s ILE 57 CO 0.00 0.57 -0.14 -0.36 -1.23 0.00 0.00 174.94 173.78 1wg6 s PHE 58 N -0.28 1.83 0.54 3.97 0.40 0.31 -0.30 117.98 124.45 1wg6 s PHE 58 Ca 0.01 -0.81 -0.20 0.00 -0.60 0.00 0.00 56.93 55.32 1wg6 s PHE 58 Cb -0.13 -1.33 -0.07 0.00 0.51 0.00 0.00 43.02 42.00 1wg6 s PHE 58 CO 0.03 -0.42 0.88 -0.89 0.70 0.00 0.00 175.22 175.52 1wg6 n ILE 59 N 4.10 2.98 -0.10 0.64 5.41 -1.24 0.85 119.36 131.99 1wg6 n ILE 59 Ca -0.20 -0.50 -0.15 0.00 1.00 0.00 0.00 62.75 62.90 1wg6 n ILE 59 Cb 0.51 -1.04 -0.05 0.00 -0.71 0.00 0.00 39.64 38.35 1wg6 n ILE 59 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1wg6 n LYS 60 N -0.44 0.55 -3.64 0.38 4.81 0.38 0.17 118.16 120.37 1wg6 n LYS 60 Ca 0.12 0.24 -0.02 0.00 -0.87 0.00 0.00 58.31 57.77 1wg6 n LYS 60 Cb 0.45 -1.46 -0.04 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 -6.37 -0.05 -0.06 3.14 1.04 -1.18 -4.39 113.70 105.82 1wg6 s SER 61 Ca -0.32 0.06 -0.19 0.00 0.48 0.00 0.00 55.95 55.98 1wg6 s SER 61 Cb 0.07 0.05 -0.05 0.00 0.10 0.00 0.00 66.02 66.19 1wg6 s SER 61 CO 0.44 -0.04 0.52 -0.63 0.98 0.00 0.00 173.24 174.51 1wg6 s ILE 62 N -0.89 5.07 0.27 -1.02 1.09 -1.26 -3.71 121.20 120.75 1wg6 s ILE 62 Ca 0.08 1.06 -0.16 0.00 -1.10 0.00 0.00 60.65 60.54 1wg6 s ILE 62 Cb -0.01 -3.85 -0.08 0.00 -1.06 0.00 0.00 42.46 37.45 1wg6 s ILE 62 CO -0.09 0.38 0.70 -0.63 -0.10 0.00 0.00 174.94 175.20 1wg6 s ILE 63 N 0.17 4.68 0.65 2.92 1.09 -1.25 -4.92 121.20 124.54 1wg6 s ILE 63 Ca 0.28 1.00 0.02 0.00 -1.10 0.00 0.00 60.65 60.84 1wg6 s ILE 63 Cb -0.16 -3.70 0.10 0.00 -1.06 0.00 0.00 42.46 37.64 1wg6 s ILE 63 CO 0.13 -0.01 0.90 -1.00 -0.10 0.00 0.00 174.94 174.86 1wg6 s HIS 64 N -1.78 1.82 -2.01 3.97 3.76 -1.26 -2.60 115.29 117.19 1wg6 s HIS 64 Ca 0.49 -0.32 0.00 0.00 -0.15 0.00 0.00 55.06 55.08 1wg6 s HIS 64 Cb -0.13 -2.78 0.00 0.00 1.11 0.00 0.00 32.58 30.78 1wg6 s HIS 64 CO 0.19 -1.41 0.00 0.41 -0.85 0.00 0.00 174.74 173.08 1wg6 n GLY 65 N -2.60 0.87 0.00 -2.22 0.00 -1.26 -4.91 105.19 95.07 1wg6 n GLY 65 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.66 5.62 0.08 -0.02 0.00 -1.26 -5.06 105.19 103.88 1wg6 n GLY 66 Ca -0.22 -1.50 -0.11 0.00 0.00 0.00 0.00 46.02 44.18 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 0.09 -1.03 4.61 0.00 -1.87 -3.35 119.26 118.70 1wg6 h ALA 67 Ca 0.00 -0.65 0.29 0.00 0.00 0.00 0.00 54.91 54.55 1wg6 h ALA 67 Cb 0.00 0.42 -0.13 0.00 0.00 0.00 0.00 17.79 18.08 1wg6 h ALA 67 CO 0.00 0.40 0.62 0.00 0.00 0.00 0.00 179.25 180.28 1wg6 h ALA 68 N -0.68 2.00 -0.94 0.00 0.00 -1.83 0.12 119.26 117.92 1wg6 h ALA 68 Ca -0.11 0.13 0.24 0.00 0.00 0.00 0.00 54.91 55.17 1wg6 h ALA 68 Cb 0.76 0.07 -0.18 0.00 0.00 0.00 0.00 17.79 18.44 1wg6 h ALA 68 CO -0.07 -0.51 -0.05 0.34 0.00 0.00 0.00 179.25 178.96 1wg6 n PHE 69 N -4.87 0.54 -0.16 0.00 7.35 -1.07 0.20 117.46 119.45 1wg6 n PHE 69 Ca 0.29 1.14 -0.04 0.00 -0.76 0.00 0.00 57.45 58.08 1wg6 n PHE 69 Cb 0.89 -1.17 0.05 0.00 0.35 0.00 0.00 39.48 39.61 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 0.43 0.00 -4.13 1.57 -0.96 0.22 116.57 113.69 1wg6 h LYS 70 Ca 0.54 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 1wg6 h LYS 70 Cb 1.06 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.27 1wg6 h LYS 70 CO -0.91 0.28 0.00 -3.47 -0.57 0.00 0.00 179.45 174.78 1wg6 n ASP 71 N -4.93 0.48 -0.47 0.86 2.03 0.54 -3.67 116.55 111.38 1wg6 n ASP 71 Ca 0.05 0.56 0.41 0.00 0.52 0.00 0.00 54.79 56.32 1wg6 n ASP 71 Cb 0.16 -0.68 0.62 0.00 -0.72 0.00 0.00 41.12 40.50 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 1.07 -0.86 0.64 0.27 0.00 0.50 -0.09 105.19 106.73 1wg6 n GLY 72 Ca 0.05 0.53 0.45 0.00 0.00 0.00 0.00 46.02 47.05 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 -3.54 0.00 -0.84 1.61 -4.01 -1.24 -4.34 116.66 104.30 1wg6 n ARG 73 Ca 0.34 1.03 -0.30 0.00 -1.04 0.00 0.00 57.85 57.88 1wg6 n ARG 73 Cb 1.74 -2.43 0.24 0.00 -3.04 0.00 0.00 32.46 28.98 1wg6 n ARG 73 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 1wg6 s LEU 74 N -7.34 0.42 -0.12 2.89 1.43 0.87 -5.04 118.68 111.79 1wg6 s LEU 74 Ca -0.04 0.92 0.03 0.00 -1.03 0.00 0.00 54.13 54.00 1wg6 s LEU 74 Cb 0.23 -2.68 0.01 0.00 0.03 0.00 0.00 46.19 43.78 1wg6 s LEU 74 CO 0.75 -4.27 -0.20 -0.13 0.23 0.00 0.00 176.35 172.73 1wg6 s ARG 75 N -5.09 2.78 1.24 1.70 0.52 -1.26 -4.99 118.95 113.84 1wg6 s ARG 75 Ca 0.69 -0.77 -0.21 0.00 -0.52 0.00 0.00 55.73 54.92 1wg6 s ARG 75 Cb -0.15 -2.24 0.32 0.00 0.52 0.00 0.00 34.95 33.40 1wg6 s ARG 75 CO 0.58 0.01 0.86 0.00 0.02 0.00 0.00 175.30 176.77 1wg6 n MET 76 N 4.01 -3.94 -1.31 3.54 0.00 -1.26 -3.82 117.12 114.33 1wg6 n MET 76 Ca -0.20 -1.42 -0.11 0.00 0.00 0.00 0.00 57.70 55.98 1wg6 n MET 76 Cb 0.52 -1.61 -0.05 0.00 0.00 0.00 0.00 33.22 32.08 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 -5.21 -4.77 -3.06 3.17 3.02 0.45 -4.87 115.26 104.00 1wg6 n ASN 77 Ca 0.13 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.95 1wg6 n ASN 77 Cb 0.54 -3.23 0.00 0.00 -0.61 0.00 0.00 39.78 36.48 1wg6 n ASN 77 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1wg6 n ASP 78 N -0.37 0.00 -3.48 6.41 -0.08 -1.25 -4.74 116.55 113.03 1wg6 n ASP 78 Ca -0.11 0.00 -0.18 0.00 -1.51 0.00 0.00 54.79 52.99 1wg6 n ASP 78 Cb 0.43 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.77 1wg6 n ASP 78 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1wg6 s GLN 79 N 0.00 0.20 -0.10 -0.67 0.74 -1.26 -3.73 119.66 114.85 1wg6 s GLN 79 Ca 0.00 0.15 -0.29 0.00 0.05 0.00 0.00 55.36 55.27 1wg6 s GLN 79 Cb 0.00 -1.16 -0.05 0.00 1.10 0.00 0.00 33.01 32.90 1wg6 s GLN 79 CO 0.00 -0.70 1.66 -0.51 -0.55 0.00 0.00 175.29 175.19 1wg6 s LEU 80 N 2.32 4.20 0.00 3.68 1.02 0.59 -3.46 118.68 127.03 1wg6 s LEU 80 Ca 0.07 2.09 0.16 0.00 0.02 0.00 0.00 54.13 56.47 1wg6 s LEU 80 Cb -0.16 -3.53 0.31 0.00 0.02 0.00 0.00 46.19 42.83 1wg6 s LEU 80 CO -0.15 -1.03 1.22 2.30 0.02 0.00 0.00 176.35 178.72 1wg6 n ILE 81 N 5.75 0.56 0.00 -0.59 -5.35 -0.44 -4.41 119.36 114.88 1wg6 n ILE 81 Ca 0.18 -0.78 0.00 0.00 -0.27 0.00 0.00 62.75 61.88 1wg6 n ILE 81 Cb 0.43 0.87 0.00 0.00 -1.74 0.00 0.00 39.64 39.20 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 0.96 0.00 -3.54 -1.28 0.00 -1.25 -4.21 120.51 111.18 1wg6 n ALA 82 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1wg6 n ALA 82 Cb 0.47 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.83 -1.08 0.00 0.11 0.20 -3.19 120.40 113.61 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 5.29 -4.84 0.00 3.54 2.85 -0.42 -0.88 115.26 120.80 1wg6 n ASN 84 Ca -0.10 0.25 0.00 0.00 -0.11 0.00 0.00 54.58 54.62 1wg6 n ASN 84 Cb 0.50 -3.24 0.00 0.00 1.24 0.00 0.00 39.78 38.28 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 -0.91 1.31 3.78 8.20 0.00 -1.26 -4.93 105.19 111.37 1wg6 n GLY 85 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.94 4.53 0.66 1.61 2.12 -0.06 -5.05 118.70 121.57 1wg6 s GLU 86 Ca 0.00 1.20 -0.12 0.00 0.36 0.00 0.00 54.97 56.41 1wg6 s GLU 86 Cb 0.00 -2.96 -0.01 0.00 0.26 0.00 0.00 34.13 31.42 1wg6 s GLU 86 CO 0.00 0.39 1.05 -0.08 -0.54 0.00 0.00 175.26 176.08 1wg6 s THR 87 N -1.46 4.18 0.00 -1.70 -1.32 -1.26 0.58 115.64 114.66 1wg6 s THR 87 Ca 0.45 0.76 0.00 0.00 -1.21 0.00 0.00 61.69 61.69 1wg6 s THR 87 Cb -0.20 -3.52 0.00 0.00 -1.51 0.00 0.00 72.50 67.27 1wg6 s THR 87 CO 0.24 -0.88 0.00 0.18 -2.21 0.00 0.00 174.62 171.96 1wg6 n LEU 88 N -2.84 0.58 -0.35 9.08 4.77 -1.26 -4.74 117.00 122.24 1wg6 n LEU 88 Ca 0.07 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.20 1wg6 n LEU 88 Cb 0.54 0.00 0.34 0.00 -2.33 0.00 0.00 43.42 41.97 1wg6 n LEU 88 CO 0.55 -0.06 1.18 -0.07 -1.33 0.00 0.00 177.39 177.66 1wg6 h LEU 89 N 0.00 0.74 -2.39 2.23 3.38 -1.82 1.24 115.31 118.68 1wg6 h LEU 89 Ca 0.00 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1wg6 h LEU 89 Cb 0.46 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1wg6 h LEU 89 CO 0.00 0.21 -0.03 1.23 0.09 0.00 0.00 178.44 179.94 1wg6 h GLY 90 N 0.69 0.00 0.00 0.83 0.00 -1.95 -3.43 103.07 99.21 1wg6 h GLY 90 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.93 1wg6 h GLY 90 CO -0.42 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.40 1wg6 n LYS 91 N -3.41 1.54 -3.16 4.80 5.02 0.43 -5.11 118.16 118.26 1wg6 n LYS 91 Ca -0.02 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.09 1wg6 n LYS 91 Cb 0.15 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.15 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 -1.49 2.29 0.28 4.39 7.64 -1.26 -4.88 113.62 120.59 1wg6 n SER 92 Ca 0.00 -2.28 0.16 0.00 1.01 0.00 0.00 58.87 57.76 1wg6 n SER 92 Cb 0.00 0.02 0.81 0.00 -1.01 0.00 0.00 64.21 64.03 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 0.50 0.00 0.00 6.43 2.35 -1.92 -1.58 115.58 121.36 1wg6 h ASN 93 Ca -0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 1wg6 h ASN 93 Cb 0.84 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.21 1wg6 h ASN 93 CO 0.38 0.07 0.00 0.00 -1.65 0.00 0.00 177.43 176.22 1wg6 n HIS 94 N -3.34 0.00 -0.26 1.19 1.44 -1.26 -3.75 115.22 109.23 1wg6 n HIS 94 Ca -0.01 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.83 1wg6 n HIS 94 Cb 0.23 -0.10 0.26 0.00 0.12 0.00 0.00 29.99 30.50 1wg6 n HIS 94 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1wg6 n GLU 95 N -1.87 -0.06 0.00 -1.40 1.02 -1.25 -0.21 120.64 116.87 1wg6 n GLU 95 Ca 0.00 1.14 0.00 0.00 -0.02 0.00 0.00 57.16 58.28 1wg6 n GLU 95 Cb 0.00 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 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 -3.16 -0.35 -0.42 0.62 0.00 -0.59 -0.19 120.51 116.41 1wg6 n ALA 96 Ca 0.20 0.00 0.35 0.00 0.00 0.00 0.00 53.44 53.99 1wg6 n ALA 96 Cb 0.64 0.12 0.63 0.00 0.00 0.00 0.00 19.45 20.85 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 0.08 -0.15 0.00 2.86 -0.68 0.99 114.93 118.03 1wg6 h MET 97 Ca 0.00 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1wg6 h MET 97 Cb 0.00 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1wg6 h MET 97 CO 0.00 0.05 0.00 0.93 1.06 0.00 0.00 176.91 178.96 1wg6 h GLU 98 N 0.09 0.27 -0.75 1.72 4.39 -0.26 -2.71 114.58 117.33 1wg6 h GLU 98 Ca 0.82 -0.09 0.16 0.00 0.34 0.00 0.00 59.36 60.60 1wg6 h GLU 98 Cb 2.48 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 31.05 1wg6 h GLU 98 CO -0.49 0.49 0.51 1.15 -1.16 0.00 0.00 179.01 179.50 1wg6 h THR 99 N 0.01 0.75 0.00 1.13 2.02 0.43 -0.01 112.91 117.25 1wg6 h THR 99 Ca 0.04 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1wg6 h THR 99 Cb 0.37 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1wg6 h THR 99 CO 0.01 0.06 0.00 -0.11 0.37 0.00 0.00 175.52 175.84 1wg6 n LEU 100 N -4.45 0.00 -0.33 2.58 7.94 -0.73 -0.51 117.00 121.50 1wg6 n LEU 100 Ca 0.15 0.85 0.18 0.00 -1.11 0.00 0.00 56.01 56.07 1wg6 n LEU 100 Cb 0.60 -0.35 0.42 0.00 0.53 0.00 0.00 43.42 44.62 1wg6 n LEU 100 CO 0.34 -0.35 1.20 0.08 -1.11 0.00 0.00 177.39 177.55 1wg6 h ARG 101 N 0.00 0.55 -0.11 1.96 0.11 -1.48 0.25 114.38 115.66 1wg6 h ARG 101 Ca 0.00 -0.03 0.04 0.00 0.10 0.00 0.00 59.98 60.09 1wg6 h ARG 101 Cb 0.00 -0.12 -0.05 0.00 1.11 0.00 0.00 29.97 30.91 1wg6 h ARG 101 CO 0.00 0.36 -0.20 -0.09 0.10 0.00 0.00 179.97 180.14 1wg6 h ARG 102 N 0.56 -0.26 -0.46 0.08 2.43 -0.69 0.19 114.38 116.24 1wg6 h ARG 102 Ca 0.58 0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.64 1wg6 h ARG 102 Cb 1.20 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 1wg6 h ARG 102 CO -0.35 -0.17 -0.24 0.66 -1.51 0.00 0.00 179.97 178.36 1wg6 h SER 103 N -0.27 0.98 -0.07 -3.80 4.64 0.13 0.45 113.55 115.61 1wg6 h SER 103 Ca 0.09 -0.38 0.02 0.00 -0.47 0.00 0.00 61.79 61.05 1wg6 h SER 103 Cb 0.40 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1wg6 h SER 103 CO -0.27 1.17 0.07 0.24 -0.87 0.00 0.00 176.83 177.17 1wg6 h MET 104 N 0.82 0.00 0.04 4.77 2.86 0.15 1.87 114.93 125.44 1wg6 h MET 104 Ca 0.10 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.37 1wg6 h MET 104 Cb 0.81 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.42 1wg6 h MET 104 CO 0.07 0.00 -2.20 -1.13 1.06 0.00 0.00 176.91 174.71 1wg6 n SER 105 N -3.95 2.02 -0.02 1.22 3.41 0.59 -3.85 113.62 113.04 1wg6 n SER 105 Ca -0.01 0.10 -0.01 0.00 -0.26 0.00 0.00 58.87 58.69 1wg6 n SER 105 Cb 0.17 -0.68 -0.00 0.00 -0.26 0.00 0.00 64.21 63.44 1wg6 n SER 105 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1wg6 h MET 106 N -0.22 0.00 -0.06 4.33 2.07 0.35 -2.93 114.93 118.47 1wg6 h MET 106 Ca -0.52 0.00 0.02 0.00 -2.07 0.00 0.00 59.70 57.13 1wg6 h MET 106 Cb 1.85 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 31.57 1wg6 h MET 106 CO -0.09 0.00 0.30 0.93 1.07 0.00 0.00 176.91 179.12 1wg6 h GLU 107 N -0.30 0.00 -0.01 1.72 4.39 0.23 1.35 114.58 121.96 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 0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1wg6 h GLU 107 CO 0.00 0.00 -0.50 0.41 -1.16 0.00 0.00 179.01 177.76 1wg6 n GLY 108 N -1.25 -0.49 0.09 -3.84 0.00 0.28 -2.46 105.19 97.51 1wg6 n GLY 108 Ca -0.01 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.34 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 1.35 0.00 0.01 1.61 -1.24 0.20 -2.58 115.58 114.92 1wg6 h ASN 109 Ca 0.00 -0.29 -0.26 0.00 0.71 0.00 0.00 56.30 56.45 1wg6 h ASN 109 Cb 0.61 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.68 1wg6 h ASN 109 CO 0.00 1.16 -1.03 0.16 -1.29 0.00 0.00 177.43 176.43 1wg6 h ILE 110 N -1.00 1.29 0.00 2.57 -2.65 -1.52 -3.39 117.51 112.80 1wg6 h ILE 110 Ca -0.19 -2.25 0.00 0.00 1.03 0.00 0.00 64.86 63.44 1wg6 h ILE 110 Cb 0.95 2.42 0.00 0.00 -2.05 0.00 0.00 36.82 38.14 1wg6 h ILE 110 CO -0.12 0.69 0.00 -1.14 0.03 0.00 0.00 178.15 177.62 1wg6 n ARG 111 N -3.88 0.00 0.00 0.16 3.00 -1.03 -5.03 116.66 109.89 1wg6 n ARG 111 Ca -0.11 0.34 0.00 0.00 -0.00 0.00 0.00 57.85 58.08 1wg6 n ARG 111 Cb 0.88 -0.83 0.00 0.00 0.00 0.00 0.00 32.46 32.51 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 1.96 1.41 3.74 5.14 0.00 -0.97 -4.98 105.19 111.49 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 -0.02 1.93 0.03 1.61 0.23 -1.26 0.13 119.30 121.95 1wg6 s MET 113 Ca 0.00 -1.31 0.02 0.00 -1.03 0.00 0.00 55.69 53.37 1wg6 s MET 113 Cb 0.00 0.57 -0.02 0.00 -1.53 0.00 0.00 34.83 33.85 1wg6 s MET 113 CO 0.00 -0.87 -0.06 -1.50 -2.03 0.00 0.00 175.02 170.56 1wg6 s ILE 114 N -3.22 0.40 -0.06 3.16 2.07 0.42 -4.03 121.20 119.95 1wg6 s ILE 114 Ca 0.17 -0.85 0.02 0.00 -1.41 0.00 0.00 60.65 58.58 1wg6 s ILE 114 Cb -0.04 -0.46 -0.03 0.00 0.13 0.00 0.00 42.46 42.06 1wg6 s ILE 114 CO 0.11 -0.31 -0.09 -1.58 -1.91 0.00 0.00 174.94 171.16 1wg6 s GLN 115 N -1.24 2.67 -0.18 3.50 0.74 -1.26 -0.91 119.66 122.98 1wg6 s GLN 115 Ca -0.09 -0.60 0.01 0.00 0.05 0.00 0.00 55.36 54.73 1wg6 s GLN 115 Cb -0.08 -2.52 0.02 0.00 1.10 0.00 0.00 33.01 31.53 1wg6 s GLN 115 CO 0.00 0.65 -0.17 -0.51 -0.55 0.00 0.00 175.29 174.71 1wg6 s LEU 116 N -0.82 2.10 -0.36 3.68 1.43 -0.51 -1.30 118.68 122.90 1wg6 s LEU 116 Ca 0.12 -0.67 -0.12 0.00 -1.03 0.00 0.00 54.13 52.44 1wg6 s LEU 116 Cb -0.11 -1.38 0.01 0.00 0.03 0.00 0.00 46.19 44.74 1wg6 s LEU 116 CO 0.01 -0.04 0.22 -0.69 0.23 0.00 0.00 176.35 176.08 1wg6 s VAL 117 N 1.34 4.82 0.09 -1.59 1.01 -1.19 -2.61 120.40 122.27 1wg6 s VAL 117 Ca 0.04 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.45 1wg6 s VAL 117 Cb -0.14 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1wg6 s VAL 117 CO -0.12 -0.14 0.00 0.27 0.00 0.00 0.00 175.10 175.12 1wg6 s ILE 118 N 1.62 4.04 -0.09 2.22 -5.25 -1.18 -1.33 121.20 121.23 1wg6 s ILE 118 Ca 0.04 -0.99 0.03 0.00 -0.99 0.00 0.00 60.65 58.74 1wg6 s ILE 118 Cb -0.18 -2.93 0.01 0.00 2.95 0.00 0.00 42.46 42.30 1wg6 s ILE 118 CO 0.08 0.11 -0.20 -0.22 -1.79 0.00 0.00 174.94 172.92 1wg6 s LEU 119 N -2.34 1.93 -0.06 0.37 1.98 -1.23 -2.46 118.68 116.87 1wg6 s LEU 119 Ca 0.26 -0.47 0.03 0.00 -2.89 0.00 0.00 54.13 51.05 1wg6 s LEU 119 Cb -0.12 -1.21 0.01 0.00 0.66 0.00 0.00 46.19 45.53 1wg6 s LEU 119 CO 0.19 0.11 -0.13 -0.60 -1.89 0.00 0.00 176.35 174.02 1wg6 s ARG 120 N 0.52 1.77 0.96 1.98 3.52 0.36 -4.53 118.95 123.53 1wg6 s ARG 120 Ca -0.16 -0.46 -0.16 0.00 -0.13 0.00 0.00 55.73 54.83 1wg6 s ARG 120 Cb -0.17 -1.46 0.24 0.00 -1.56 0.00 0.00 34.95 32.00 1wg6 s ARG 120 CO 0.06 0.06 0.55 0.54 -0.81 0.00 0.00 175.30 175.70 1wg6 n ARG 121 N 3.71 -3.58 -0.07 5.12 1.74 -1.26 -1.16 116.66 121.15 1wg6 n ARG 121 Ca -0.22 -0.92 -0.03 0.00 -0.77 0.00 0.00 57.85 55.90 1wg6 n ARG 121 Cb 0.52 -1.25 -0.03 0.00 -1.02 0.00 0.00 32.46 30.68 1wg6 n ARG 121 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1wg6 h SER 122 N -3.03 -0.54 -1.47 0.55 4.64 -1.95 -3.42 113.55 108.34 1wg6 h SER 122 Ca -0.25 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1wg6 h SER 122 Cb 0.84 0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1wg6 h SER 122 CO 0.15 -0.09 0.00 0.61 -0.87 0.00 0.00 176.83 176.63 1wg6 n GLY 123 N -1.09 6.61 3.57 -0.77 0.00 -1.26 -4.99 105.19 107.26 1wg6 n GLY 123 Ca -0.00 -2.02 -0.36 0.00 0.00 0.00 0.00 46.02 43.64 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 2.42 -3.03 1.61 -0.04 -1.26 -4.92 135.00 129.77 1wg6 n PRO 124 Ca 0.00 -2.88 -0.43 0.00 -0.04 0.00 0.00 63.50 60.16 1wg6 n PRO 124 Cb 0.00 -3.61 -0.06 0.00 -0.04 0.00 0.00 33.50 29.79 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 5.30 6.39 -0.30 3.54 1.04 -1.26 -4.98 113.70 123.43 1wg6 s SER 125 Ca 0.61 -0.14 -0.09 0.00 0.48 0.00 0.00 55.95 56.81 1wg6 s SER 125 Cb 0.02 -2.36 0.14 0.00 0.10 0.00 0.00 66.02 63.92 1wg6 s SER 125 CO 0.11 -0.82 0.66 -0.55 0.98 0.00 0.00 173.24 173.62 1wg6 s SER 126 N 2.03 -1.15 0.00 7.02 0.15 -1.26 -5.03 113.70 115.46 1wg6 s SER 126 Ca 0.27 1.45 0.00 0.00 0.70 0.00 0.00 55.95 58.37 1wg6 s SER 126 Cb -0.13 2.26 0.00 0.00 -1.71 0.00 0.00 66.02 66.44 1wg6 s SER 126 CO 0.20 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.03