#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 6.53 0.33 1.61 0.01 -1.26 -5.01 113.70 115.91 1wg6 s SER 2 Ca 0.00 1.15 -0.28 0.00 1.31 0.00 0.00 55.95 58.13 1wg6 s SER 2 Cb 0.00 -2.33 -0.13 0.00 0.21 0.00 0.00 66.02 63.77 1wg6 s SER 2 CO 0.00 -0.40 1.23 -1.54 0.41 0.00 0.00 173.24 172.94 1wg6 n SER 3 N -1.30 2.45 -4.49 2.44 3.41 -1.26 -5.00 113.62 109.88 1wg6 n SER 3 Ca 0.03 1.20 -0.24 0.00 -0.26 0.00 0.00 58.87 59.59 1wg6 n SER 3 Cb 0.54 -1.44 -0.10 0.00 -0.26 0.00 0.00 64.21 62.94 1wg6 n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wg6 s GLY 4 N -0.37 2.31 0.43 5.00 0.00 -1.26 -5.17 107.32 108.26 1wg6 s GLY 4 Ca 0.56 -1.94 0.04 0.00 0.00 0.00 0.00 44.72 43.38 1wg6 s GLY 4 CO 0.62 -1.92 0.03 -0.56 0.00 0.00 0.00 173.10 171.26 1wg6 s SER 5 N -3.59 3.59 0.68 1.64 0.01 -1.26 -5.16 113.70 109.62 1wg6 s SER 5 Ca 0.33 -1.51 -0.03 0.00 1.31 0.00 0.00 55.95 56.05 1wg6 s SER 5 Cb 0.08 0.07 0.08 0.00 0.21 0.00 0.00 66.02 66.47 1wg6 s SER 5 CO 0.15 -0.67 0.95 -0.55 0.41 0.00 0.00 173.24 173.53 1wg6 s SER 6 N -3.72 4.69 0.00 2.44 0.15 -1.26 -5.10 113.70 110.90 1wg6 s SER 6 Ca 0.24 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1wg6 s SER 6 Cb 0.06 -0.62 0.00 0.00 -1.71 0.00 0.00 66.02 63.75 1wg6 s SER 6 CO 0.12 -1.62 0.00 0.61 1.20 0.00 0.00 173.24 173.55 1wg6 n GLY 7 N -2.77 -1.57 3.65 9.45 0.00 -1.26 -5.09 105.19 107.59 1wg6 n GLY 7 Ca 0.11 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.80 1wg6 n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wg6 s LEU 8 N 0.00 -0.22 0.53 0.99 1.98 -1.26 -5.15 118.68 115.55 1wg6 s LEU 8 Ca 0.00 0.39 -0.18 0.00 -2.89 0.00 0.00 54.13 51.45 1wg6 s LEU 8 Cb 0.00 1.38 -0.15 0.00 0.66 0.00 0.00 46.19 48.08 1wg6 s LEU 8 CO 0.00 -0.07 -0.11 0.29 -1.89 0.00 0.00 176.35 174.57 1wg6 n LYS 9 N 2.54 0.03 0.00 1.98 4.01 -1.26 -4.87 118.16 120.60 1wg6 n LYS 9 Ca -0.14 0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.67 1wg6 n LYS 9 Cb 0.57 -1.04 0.00 0.00 -0.51 0.00 0.00 35.03 34.04 1wg6 n LYS 9 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1wg6 n GLY 10 N 2.50 3.53 3.58 0.72 0.00 -1.26 -5.05 105.19 109.22 1wg6 n GLY 10 Ca 0.08 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.69 3.80 0.04 1.61 8.01 -1.26 -4.94 118.70 123.26 1wg6 s GLU 11 Ca 0.00 0.12 -0.17 0.00 0.01 0.00 0.00 54.97 54.93 1wg6 s GLU 11 Cb 0.00 -3.76 -0.21 0.00 -4.31 0.00 0.00 34.13 25.85 1wg6 s GLU 11 CO 0.00 -0.60 1.17 -1.00 0.01 0.00 0.00 175.26 174.85 1wg6 h PRO 12 N 8.30 0.54 -1.42 0.39 0.13 -1.96 -3.48 132.00 134.51 1wg6 h PRO 12 Ca -0.27 -0.53 0.13 0.00 -0.87 0.00 0.00 66.00 64.46 1wg6 h PRO 12 Cb 1.12 0.14 -0.24 0.00 0.13 0.00 0.00 31.00 32.15 1wg6 h PRO 12 CO 0.79 1.16 0.67 0.34 -0.23 0.00 0.00 178.00 180.72 1wg6 s ASP 13 N -6.89 -0.27 -0.01 1.44 2.15 -1.26 -5.12 116.67 106.71 1wg6 s ASP 13 Ca -0.12 0.29 -0.36 0.00 0.43 0.00 0.00 52.55 52.79 1wg6 s ASP 13 Cb 0.05 0.22 -0.14 0.00 -0.30 0.00 0.00 42.92 42.75 1wg6 s ASP 13 CO 0.85 -0.25 1.66 0.00 -0.17 0.00 0.00 175.17 177.26 1wg6 n TYR 15 N 4.64 -4.17 -3.15 0.00 9.36 -1.26 -5.06 117.16 117.51 1wg6 n TYR 15 Ca 0.21 2.50 0.05 0.00 3.32 0.00 0.00 57.90 63.98 1wg6 n TYR 15 Cb 0.24 -3.29 -0.01 0.00 -0.63 0.00 0.00 39.34 35.65 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 -0.47 -3.27 0.03 2.98 0.00 -1.26 -5.13 121.76 114.63 1wg6 s ALA 16 Ca 0.00 1.48 -0.27 0.00 0.00 0.00 0.00 51.96 53.17 1wg6 s ALA 16 Cb 0.00 -2.48 0.08 0.00 0.00 0.00 0.00 23.12 20.72 1wg6 s ALA 16 CO 0.00 -1.51 0.71 -0.48 0.00 0.00 0.00 175.76 174.49 1wg6 s LEU 17 N 2.94 -0.55 0.05 0.00 0.05 -1.26 -5.06 118.68 114.85 1wg6 s LEU 17 Ca 0.05 0.29 0.08 0.00 0.05 0.00 0.00 54.13 54.60 1wg6 s LEU 17 Cb -0.10 2.41 -0.03 0.00 -2.05 0.00 0.00 46.19 46.42 1wg6 s LEU 17 CO -0.14 -0.73 -0.22 -0.55 -0.55 0.00 0.00 176.35 174.16 1wg6 s SER 18 N -2.01 2.65 0.32 1.48 0.15 -1.26 -5.14 113.70 109.88 1wg6 s SER 18 Ca -0.03 -0.55 0.07 0.00 0.70 0.00 0.00 55.95 56.14 1wg6 s SER 18 Cb -0.01 -0.22 -0.02 0.00 -1.71 0.00 0.00 66.02 64.07 1wg6 s SER 18 CO -0.03 0.18 0.39 -0.76 1.20 0.00 0.00 173.24 174.22 1wg6 s LEU 19 N -1.26 3.92 0.39 3.45 1.43 -1.26 -5.09 118.68 120.26 1wg6 s LEU 19 Ca 0.08 -0.23 -0.23 0.00 -1.03 0.00 0.00 54.13 52.72 1wg6 s LEU 19 Cb -0.09 -2.61 -0.10 0.00 0.03 0.00 0.00 46.19 43.42 1wg6 s LEU 19 CO 0.02 -0.34 0.98 -1.61 0.23 0.00 0.00 176.35 175.63 1wg6 s GLU 20 N -4.08 4.31 0.00 1.70 2.02 -1.26 -5.06 118.70 116.33 1wg6 s GLU 20 Ca 0.42 1.29 -0.20 0.00 0.02 0.00 0.00 54.97 56.50 1wg6 s GLU 20 Cb -0.08 -2.47 0.04 0.00 0.10 0.00 0.00 34.13 31.72 1wg6 s GLU 20 CO 0.29 0.02 0.45 -1.12 0.02 0.00 0.00 175.26 174.93 1wg6 s SER 21 N -1.84 -0.36 1.31 -0.19 0.01 -1.26 -5.17 113.70 106.21 1wg6 s SER 21 Ca 0.57 0.22 -0.19 0.00 1.31 0.00 0.00 55.95 57.86 1wg6 s SER 21 Cb -0.16 0.42 0.29 0.00 0.21 0.00 0.00 66.02 66.78 1wg6 s SER 21 CO 0.20 -0.58 0.84 -1.20 0.41 0.00 0.00 173.24 172.92 1wg6 n SER 22 N 0.86 -2.85 -4.77 2.44 7.64 -1.26 -4.99 113.62 110.69 1wg6 n SER 22 Ca -0.20 -0.92 -0.36 0.00 1.01 0.00 0.00 58.87 58.40 1wg6 n SER 22 Cb 0.58 -0.85 -0.07 0.00 -1.01 0.00 0.00 64.21 62.85 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 -4.96 4.03 -0.01 1.43 0.41 -0.40 -5.00 118.70 114.19 1wg6 s GLU 23 Ca 0.59 -0.10 0.01 0.00 -0.41 0.00 0.00 54.97 55.06 1wg6 s GLU 23 Cb -0.08 -3.36 0.00 0.00 -1.78 0.00 0.00 34.13 28.91 1wg6 s GLU 23 CO 0.47 0.41 -0.03 -1.14 -0.49 0.00 0.00 175.26 174.48 1wg6 s GLN 24 N 0.02 0.32 0.04 1.61 -0.44 -1.26 -0.11 119.66 119.83 1wg6 s GLN 24 Ca 0.12 -0.09 0.06 0.00 -2.50 0.00 0.00 55.36 52.95 1wg6 s GLN 24 Cb -0.12 -0.34 -0.02 0.00 -1.64 0.00 0.00 33.01 30.89 1wg6 s GLN 24 CO 0.01 0.03 -0.19 -0.51 0.50 0.00 0.00 175.29 175.14 1wg6 s LEU 25 N 0.15 2.16 -0.24 3.68 1.43 -0.99 -5.00 118.68 119.87 1wg6 s LEU 25 Ca -0.01 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 1wg6 s LEU 25 Cb -0.04 -0.86 0.06 0.00 0.03 0.00 0.00 46.19 45.38 1wg6 s LEU 25 CO -0.00 0.13 -0.04 -0.89 0.23 0.00 0.00 176.35 175.77 1wg6 s THR 26 N -0.78 1.52 -0.20 5.49 2.01 -1.26 -1.84 115.64 120.57 1wg6 s THR 26 Ca 0.06 -1.25 -0.02 0.00 0.31 0.00 0.00 61.69 60.78 1wg6 s THR 26 Cb -0.08 -1.81 -0.00 0.00 0.01 0.00 0.00 72.50 70.62 1wg6 s THR 26 CO 0.01 -0.13 -0.08 -0.76 -0.69 0.00 0.00 174.62 172.97 1wg6 s LEU 27 N 1.39 2.72 0.13 4.42 2.01 -0.91 -4.95 118.68 123.50 1wg6 s LEU 27 Ca -0.05 -0.43 -0.14 0.00 0.01 0.00 0.00 54.13 53.52 1wg6 s LEU 27 Cb -0.19 -1.67 -0.07 0.00 0.01 0.00 0.00 46.19 44.27 1wg6 s LEU 27 CO -0.07 0.01 0.53 -1.61 1.01 0.00 0.00 176.35 176.22 1wg6 s GLU 28 N 1.30 3.96 -0.07 1.70 2.02 -1.26 -1.68 118.70 124.68 1wg6 s GLU 28 Ca 0.04 0.46 0.01 0.00 0.02 0.00 0.00 54.97 55.50 1wg6 s GLU 28 Cb -0.14 -2.95 0.02 0.00 0.10 0.00 0.00 34.13 31.16 1wg6 s GLU 28 CO -0.04 0.50 -0.06 0.42 0.02 0.00 0.00 175.26 176.10 1wg6 s ILE 29 N -1.44 0.72 0.42 -1.63 1.01 0.32 -4.92 121.20 115.68 1wg6 s ILE 29 Ca 0.37 -0.18 -0.23 0.00 0.00 0.00 0.00 60.65 60.60 1wg6 s ILE 29 Cb -0.15 -0.74 -0.09 0.00 0.01 0.00 0.00 42.46 41.49 1wg6 s ILE 29 CO 0.19 0.28 1.05 -2.16 0.00 0.00 0.00 174.94 174.30 1wg6 s PRO 30 N 1.19 4.08 -0.26 2.79 0.04 -1.26 0.13 135.00 141.72 1wg6 s PRO 30 Ca -0.06 1.49 0.12 0.00 0.04 0.00 0.00 61.00 62.59 1wg6 s PRO 30 Cb -0.14 -2.45 0.46 0.00 0.04 0.00 0.00 34.50 32.41 1wg6 s PRO 30 CO -0.02 -0.21 1.18 1.28 0.04 0.00 0.00 177.00 179.27 1wg6 n LEU 31 N -0.25 3.70 0.33 -3.56 4.77 0.15 -4.67 117.00 117.47 1wg6 n LEU 31 Ca 0.06 -4.13 -0.13 0.00 -0.03 0.00 0.00 56.01 51.78 1wg6 n LEU 31 Cb 0.50 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.34 1wg6 n LEU 31 CO 0.44 1.70 0.41 -0.55 -1.33 0.00 0.00 177.39 178.06 1wg6 h ASN 32 N 2.02 -0.72 0.20 -1.43 7.08 -1.90 -0.70 115.58 120.13 1wg6 h ASN 32 Ca 0.18 0.02 -0.11 0.00 -3.08 0.00 0.00 56.30 53.31 1wg6 h ASN 32 Cb 1.42 0.19 -0.02 0.00 -2.08 0.00 0.00 38.32 37.83 1wg6 h ASN 32 CO 0.49 -0.43 -1.91 -0.67 -2.08 0.00 0.00 177.43 172.84 1wg6 n ASP 33 N -4.79 0.21 -0.03 6.14 2.03 -1.26 -4.39 116.55 114.46 1wg6 n ASP 33 Ca -0.11 0.09 -0.12 0.00 0.52 0.00 0.00 54.79 55.17 1wg6 n ASP 33 Cb 0.34 1.34 -0.10 0.00 -0.72 0.00 0.00 41.12 41.97 1wg6 n ASP 33 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1wg6 h SER 34 N 0.00 -0.03 -0.85 1.67 0.87 -1.83 -3.30 113.55 110.08 1wg6 h SER 34 Ca -0.15 -0.69 0.23 0.00 -1.23 0.00 0.00 61.79 59.94 1wg6 h SER 34 Cb 1.38 0.01 -0.16 0.00 -0.44 0.00 0.00 62.40 63.19 1wg6 h SER 34 CO 0.01 0.72 -0.01 0.61 -0.53 0.00 0.00 176.83 177.64 1wg6 n GLY 35 N 1.07 -1.18 0.35 5.77 0.00 -0.27 0.19 105.19 111.12 1wg6 n GLY 35 Ca -0.09 0.84 0.03 0.00 0.00 0.00 0.00 46.02 46.81 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 -5.24 -0.45 -0.05 1.61 7.64 -1.24 -1.60 113.62 114.28 1wg6 n SER 36 Ca 0.19 1.65 -0.21 0.00 1.01 0.00 0.00 58.87 61.52 1wg6 n SER 36 Cb 0.63 -0.45 -0.13 0.00 -1.01 0.00 0.00 64.21 63.25 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 -3.59 1.07 0.00 -0.43 0.00 0.26 -5.11 120.51 112.72 1wg6 n ALA 37 Ca 0.13 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1wg6 n ALA 37 Cb 0.44 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.44 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 2.02 0.92 0.02 0.00 0.00 0.51 -4.92 105.19 103.74 1wg6 n GLY 38 Ca -0.38 -2.10 -0.01 0.00 0.00 0.00 0.00 46.02 43.54 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 -0.10 0.00 0.99 3.38 -1.88 -3.38 115.31 114.32 1wg6 h LEU 39 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1wg6 h LEU 39 Cb 0.00 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1wg6 h LEU 39 CO 0.00 -0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.13 1wg6 n GLY 40 N -1.01 1.32 3.43 0.83 0.00 -1.26 -4.22 105.19 104.27 1wg6 n GLY 40 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1wg6 n GLY 40 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wg6 s VAL 41 N -2.00 2.31 0.01 1.61 -7.23 -1.26 -4.41 120.40 109.43 1wg6 s VAL 41 Ca 0.00 -2.17 0.06 0.00 -1.81 0.00 0.00 61.98 58.06 1wg6 s VAL 41 Cb 0.00 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.76 1wg6 s VAL 41 CO 0.00 -0.27 -0.16 -0.55 -0.31 0.00 0.00 175.10 173.80 1wg6 s SER 42 N -3.02 3.90 0.42 4.85 0.15 -1.25 -5.06 113.70 113.69 1wg6 s SER 42 Ca 0.24 -0.35 0.06 0.00 0.70 0.00 0.00 55.95 56.61 1wg6 s SER 42 Cb -0.06 -0.70 -0.07 0.00 -1.71 0.00 0.00 66.02 63.48 1wg6 s SER 42 CO 0.11 0.28 0.05 -0.76 1.20 0.00 0.00 173.24 174.13 1wg6 s LEU 43 N -1.23 2.87 0.01 3.45 1.43 -1.26 -0.21 118.68 123.73 1wg6 s LEU 43 Ca 0.14 -1.33 0.04 0.00 -1.03 0.00 0.00 54.13 51.94 1wg6 s LEU 43 Cb -0.11 -1.00 -0.01 0.00 0.03 0.00 0.00 46.19 45.10 1wg6 s LEU 43 CO 0.04 -0.52 -0.12 -1.59 0.23 0.00 0.00 176.35 174.39 1wg6 s LYS 44 N -3.78 0.91 -0.18 1.70 -2.85 0.51 -4.66 119.74 111.39 1wg6 s LYS 44 Ca 0.33 -0.54 -0.08 0.00 -1.00 0.00 0.00 55.97 54.68 1wg6 s LYS 44 Cb 0.08 -0.88 -0.04 0.00 -2.06 0.00 0.00 37.83 34.92 1wg6 s LYS 44 CO 0.18 0.23 0.07 0.20 0.10 0.00 0.00 175.35 176.13 1wg6 s GLY 45 N -0.62 1.92 0.01 0.59 0.00 -1.26 -0.27 107.32 107.69 1wg6 s GLY 45 Ca 0.03 -0.74 0.06 0.00 0.00 0.00 0.00 44.72 44.07 1wg6 s GLY 45 CO 0.00 0.06 -0.18 0.21 0.00 0.00 0.00 173.10 173.19 1wg6 s ASN 46 N 0.36 3.77 0.05 1.64 3.84 -1.19 -5.01 114.94 118.39 1wg6 s ASN 46 Ca 0.04 -0.37 0.04 0.00 0.21 0.00 0.00 52.86 52.77 1wg6 s ASN 46 Cb -0.12 -0.64 -0.02 0.00 -0.55 0.00 0.00 41.25 39.92 1wg6 s ASN 46 CO -0.00 0.28 -0.13 -0.75 -2.79 0.00 0.00 177.10 173.72 1wg6 s LYS 47 N -1.17 0.81 -0.16 0.43 2.20 -1.26 -3.09 119.74 117.50 1wg6 s LYS 47 Ca 0.13 -0.79 -0.02 0.00 -0.36 0.00 0.00 55.97 54.93 1wg6 s LYS 47 Cb -0.10 -0.78 -0.02 0.00 -1.51 0.00 0.00 37.83 35.42 1wg6 s LYS 47 CO 0.03 0.18 -0.08 -1.12 -0.36 0.00 0.00 175.35 174.01 1wg6 s SER 48 N -1.35 4.35 -0.13 1.43 0.01 -0.54 -4.90 113.70 112.58 1wg6 s SER 48 Ca -0.01 -0.27 -0.19 0.00 1.31 0.00 0.00 55.95 56.78 1wg6 s SER 48 Cb -0.09 -1.70 -0.26 0.00 0.21 0.00 0.00 66.02 64.19 1wg6 s SER 48 CO 0.01 0.13 0.55 -0.09 0.41 0.00 0.00 173.24 174.25 1wg6 h ARG 49 N 6.97 0.16 -0.00 12.44 2.43 -1.96 -2.23 114.38 132.19 1wg6 h ARG 49 Ca -0.31 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 58.59 1wg6 h ARG 49 Cb 1.20 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.85 1wg6 h ARG 49 CO 0.59 1.13 -0.01 0.93 -1.51 0.00 0.00 179.97 181.11 1wg6 h GLU 50 N -0.55 -0.01 -0.60 0.20 4.39 -1.97 -2.69 114.58 113.35 1wg6 h GLU 50 Ca -0.25 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.41 1wg6 h GLU 50 Cb 1.54 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.17 1wg6 h GLU 50 CO 0.00 -0.00 0.22 1.79 -1.16 0.00 0.00 179.01 179.86 1wg6 h THR 51 N -0.01 1.23 -1.12 1.13 1.35 -2.01 -3.47 112.91 110.01 1wg6 h THR 51 Ca 0.00 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 1wg6 h THR 51 Cb 0.01 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 67.02 1wg6 h THR 51 CO -0.00 0.29 0.00 0.61 -0.25 0.00 0.00 175.52 176.16 1wg6 n GLY 52 N -0.79 0.59 3.31 5.82 0.00 -0.88 -5.10 105.19 108.15 1wg6 n GLY 52 Ca 0.03 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.38 0.00 -0.62 2.61 2.01 -1.00 -5.01 115.64 111.25 1wg6 s THR 53 Ca 0.00 -1.82 -0.18 0.00 0.31 0.00 0.00 61.69 60.00 1wg6 s THR 53 Cb 0.00 -2.39 0.12 0.00 0.01 0.00 0.00 72.50 70.24 1wg6 s THR 53 CO 0.00 -0.02 0.70 1.51 -0.69 0.00 0.00 174.62 176.12 1wg6 s ASP 54 N -3.11 6.26 0.40 3.53 -4.77 -1.26 -1.47 116.67 116.25 1wg6 s ASP 54 Ca 0.33 -1.65 0.25 0.00 -3.30 0.00 0.00 52.55 48.19 1wg6 s ASP 54 Cb 0.05 -2.28 1.40 0.00 -1.09 0.00 0.00 42.92 40.99 1wg6 s ASP 54 CO 0.11 -1.02 1.59 -0.07 0.70 0.00 0.00 175.17 176.47 1wg6 h LEU 55 N 9.62 0.28 0.00 2.11 3.38 -1.89 -3.47 115.31 125.35 1wg6 h LEU 55 Ca -0.23 0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1wg6 h LEU 55 Cb 1.08 0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1wg6 h LEU 55 CO 1.06 -0.34 0.00 0.61 0.09 0.00 0.00 178.44 179.86 1wg6 n GLY 56 N -1.37 0.51 3.46 0.83 0.00 -1.24 -4.98 105.19 102.39 1wg6 n GLY 56 Ca 0.39 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.23 2.75 -0.01 -0.61 -1.09 -1.26 -3.15 121.20 115.60 1wg6 s ILE 57 Ca 0.00 -1.32 0.01 0.00 -2.23 0.00 0.00 60.65 57.11 1wg6 s ILE 57 Cb 0.00 -2.19 0.00 0.00 -1.58 0.00 0.00 42.46 38.69 1wg6 s ILE 57 CO 0.00 0.25 -0.04 -0.36 -1.23 0.00 0.00 174.94 173.56 1wg6 s PHE 58 N -0.99 0.42 0.54 3.97 0.40 0.62 -1.45 117.98 121.49 1wg6 s PHE 58 Ca 0.15 -0.08 -0.21 0.00 -0.60 0.00 0.00 56.93 56.20 1wg6 s PHE 58 Cb -0.10 -0.32 -0.06 0.00 0.51 0.00 0.00 43.02 43.05 1wg6 s PHE 58 CO 0.07 -0.04 1.22 -0.89 0.70 0.00 0.00 175.22 176.27 1wg6 n ILE 59 N 3.24 3.60 -0.10 0.64 5.41 -1.22 0.19 119.36 131.11 1wg6 n ILE 59 Ca -0.16 -0.50 -0.16 0.00 1.00 0.00 0.00 62.75 62.93 1wg6 n ILE 59 Cb 0.57 -1.47 -0.06 0.00 -0.71 0.00 0.00 39.64 37.96 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 -0.84 0.54 -3.65 0.38 4.81 0.70 0.12 118.16 120.23 1wg6 n LYS 60 Ca 0.11 0.36 -0.01 0.00 -0.87 0.00 0.00 58.31 57.89 1wg6 n LYS 60 Cb 0.44 -1.56 -0.05 0.00 0.02 0.00 0.00 35.03 33.89 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 -6.50 -0.00 0.01 3.14 0.15 -1.15 -4.56 113.70 104.79 1wg6 s SER 61 Ca -0.29 0.00 -0.21 0.00 0.70 0.00 0.00 55.95 56.15 1wg6 s SER 61 Cb 0.07 0.00 -0.06 0.00 -1.71 0.00 0.00 66.02 64.33 1wg6 s SER 61 CO 0.43 -0.00 0.62 -0.63 1.20 0.00 0.00 173.24 174.86 1wg6 s ILE 62 N -0.78 4.85 -0.69 6.45 1.09 -1.26 -3.81 121.20 127.05 1wg6 s ILE 62 Ca 0.09 1.32 -0.19 0.00 -1.10 0.00 0.00 60.65 60.77 1wg6 s ILE 62 Cb -0.02 -3.96 0.11 0.00 -1.06 0.00 0.00 42.46 37.53 1wg6 s ILE 62 CO -0.11 0.42 0.84 -0.63 -0.10 0.00 0.00 174.94 175.37 1wg6 s ILE 63 N -0.27 4.78 1.10 2.92 1.09 -1.26 -4.99 121.20 124.57 1wg6 s ILE 63 Ca 0.32 -1.11 -0.16 0.00 -1.10 0.00 0.00 60.65 58.60 1wg6 s ILE 63 Cb -0.19 -4.58 0.14 0.00 -1.06 0.00 0.00 42.46 36.77 1wg6 s ILE 63 CO 0.18 -1.26 0.38 1.57 -0.10 0.00 0.00 174.94 175.72 1wg6 n HIS 64 N 6.43 -1.27 -1.38 3.97 -0.00 -1.26 -3.01 115.22 118.71 1wg6 n HIS 64 Ca -0.00 0.10 -0.13 0.00 -0.00 0.00 0.00 57.72 57.69 1wg6 n HIS 64 Cb 0.45 -1.66 -0.06 0.00 -0.00 0.00 0.00 29.99 28.72 1wg6 n HIS 64 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1wg6 n GLY 65 N 1.60 1.37 0.00 1.57 0.00 -1.26 -4.92 105.19 103.54 1wg6 n GLY 65 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1wg6 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wg6 n GLY 66 N -1.22 6.08 0.09 -0.02 0.00 -1.16 -5.04 105.19 103.92 1wg6 n GLY 66 Ca -0.13 -1.69 -0.18 0.00 0.00 0.00 0.00 46.02 44.02 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 0.15 -0.52 4.61 0.00 -1.82 -3.34 119.26 119.35 1wg6 h ALA 67 Ca 0.00 -0.91 0.08 0.00 0.00 0.00 0.00 54.91 54.09 1wg6 h ALA 67 Cb 0.00 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1wg6 h ALA 67 CO 0.00 0.42 0.35 0.00 0.00 0.00 0.00 179.25 180.02 1wg6 h ALA 68 N -0.31 2.02 -0.90 0.00 0.00 -1.85 -1.93 119.26 116.29 1wg6 h ALA 68 Ca -0.20 -0.01 0.37 0.00 0.00 0.00 0.00 54.91 55.06 1wg6 h ALA 68 Cb 1.16 -0.07 -0.16 0.00 0.00 0.00 0.00 17.79 18.71 1wg6 h ALA 68 CO -0.12 -0.13 0.44 0.34 0.00 0.00 0.00 179.25 179.78 1wg6 n PHE 69 N -4.47 1.01 -0.07 0.00 7.35 -1.25 0.20 117.46 120.22 1wg6 n PHE 69 Ca 0.08 1.07 -0.07 0.00 -0.76 0.00 0.00 57.45 57.77 1wg6 n PHE 69 Cb 0.33 -1.45 -0.01 0.00 0.35 0.00 0.00 39.48 38.71 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 -0.03 0.00 -4.13 1.57 -1.56 0.12 116.57 112.54 1wg6 h LYS 70 Ca 0.75 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.53 1wg6 h LYS 70 Cb 1.94 0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.26 1wg6 h LYS 70 CO -0.71 -0.02 -0.12 -3.47 -0.57 0.00 0.00 179.45 174.56 1wg6 n ASP 71 N -5.26 0.54 -0.57 0.86 2.03 0.53 -3.88 116.55 110.80 1wg6 n ASP 71 Ca -0.00 0.43 0.45 0.00 0.52 0.00 0.00 54.79 56.19 1wg6 n ASP 71 Cb 0.18 -0.51 0.69 0.00 -0.72 0.00 0.00 41.12 40.76 1wg6 n ASP 71 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wg6 n GLY 72 N 1.38 -0.86 0.56 0.27 0.00 0.29 -0.11 105.19 106.72 1wg6 n GLY 72 Ca 0.06 0.58 0.43 0.00 0.00 0.00 0.00 46.02 47.09 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 -3.62 -0.01 -0.20 1.61 1.85 -1.25 -4.26 116.66 110.78 1wg6 n ARG 73 Ca 0.37 0.97 -0.08 0.00 -1.00 0.00 0.00 57.85 58.12 1wg6 n ARG 73 Cb 1.75 -2.15 0.07 0.00 -1.05 0.00 0.00 32.46 31.08 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 -3.85 0.00 -3.89 2.89 4.77 0.84 -5.07 117.00 112.69 1wg6 n LEU 74 Ca 0.38 -0.27 -0.14 0.00 -0.03 0.00 0.00 56.01 55.95 1wg6 n LEU 74 Cb 1.65 -0.25 -0.14 0.00 -2.33 0.00 0.00 43.42 42.34 1wg6 n LEU 74 CO 0.33 -1.46 -0.37 0.00 -1.33 0.00 0.00 177.39 174.55 1wg6 s ARG 75 N -3.60 0.15 0.96 3.23 3.03 -1.26 -4.99 118.95 116.47 1wg6 s ARG 75 Ca 0.18 -0.05 -0.15 0.00 2.03 0.00 0.00 55.73 57.74 1wg6 s ARG 75 Cb -0.02 -0.17 0.07 0.00 -1.03 0.00 0.00 34.95 33.80 1wg6 s ARG 75 CO 0.14 0.02 -0.14 0.00 -1.13 0.00 0.00 175.30 174.19 1wg6 n MET 76 N 3.14 -1.40 -2.78 3.89 0.00 -1.26 -3.56 117.12 115.15 1wg6 n MET 76 Ca -0.14 -0.41 -0.21 0.00 0.00 0.00 0.00 57.70 56.95 1wg6 n MET 76 Cb 0.58 -1.37 0.02 0.00 0.00 0.00 0.00 33.22 32.46 1wg6 n MET 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1wg6 n ASN 77 N 0.10 -5.79 -4.33 3.17 3.02 0.33 -4.85 115.26 106.92 1wg6 n ASN 77 Ca 0.02 -0.19 -0.47 0.00 -0.03 0.00 0.00 54.58 53.92 1wg6 n ASN 77 Cb 0.44 -4.68 -0.03 0.00 -0.61 0.00 0.00 39.78 34.90 1wg6 n ASN 77 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1wg6 s ASP 78 N -2.53 6.64 0.10 6.41 1.01 -1.23 -4.74 116.67 122.32 1wg6 s ASP 78 Ca 0.19 -2.48 -0.36 0.00 0.71 0.00 0.00 52.55 50.62 1wg6 s ASP 78 Cb -0.09 -2.22 -0.17 0.00 1.01 0.00 0.00 42.92 41.46 1wg6 s ASP 78 CO 0.24 -0.65 1.17 1.67 0.21 0.00 0.00 175.17 177.81 1wg6 n GLN 79 N 4.33 0.80 -3.13 8.23 7.27 -1.26 -3.40 117.38 130.21 1wg6 n GLN 79 Ca 0.08 0.29 -0.42 0.00 0.07 0.00 0.00 57.00 57.02 1wg6 n GLN 79 Cb 0.46 -1.81 -0.07 0.00 2.41 0.00 0.00 30.24 31.23 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 0.57 4.38 -0.04 1.69 1.02 -0.53 -3.54 118.68 122.24 1wg6 s LEU 80 Ca 0.81 -0.10 0.19 0.00 0.02 0.00 0.00 54.13 55.05 1wg6 s LEU 80 Cb -1.00 -2.72 0.61 0.00 0.02 0.00 0.00 46.19 43.10 1wg6 s LEU 80 CO 0.51 -0.65 1.51 2.30 0.02 0.00 0.00 176.35 180.04 1wg6 n ILE 81 N 5.67 1.17 0.00 -0.59 -5.35 0.76 -4.10 119.36 116.92 1wg6 n ILE 81 Ca -0.02 -0.95 0.00 0.00 -0.27 0.00 0.00 62.75 61.51 1wg6 n ILE 81 Cb 0.48 0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.69 1wg6 n ILE 81 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wg6 n ALA 82 N 1.27 0.00 -3.33 -1.28 0.00 -1.25 -4.28 120.51 111.64 1wg6 n ALA 82 Ca 0.23 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.69 1wg6 n ALA 82 Cb 0.65 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.70 -0.14 0.00 0.11 0.46 -3.44 120.40 114.68 1wg6 s VAL 83 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1wg6 s VAL 83 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1wg6 s VAL 83 CO 0.00 0.00 0.00 0.59 -3.33 0.00 0.00 175.10 172.36 1wg6 n ASN 84 N 5.30 -4.95 0.00 3.54 3.02 -0.82 -1.10 115.26 120.25 1wg6 n ASN 84 Ca -0.07 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 1wg6 n ASN 84 Cb 0.52 -2.57 0.00 0.00 -0.61 0.00 0.00 39.78 37.12 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 -0.45 2.56 3.73 7.41 0.00 -1.26 -4.92 105.19 112.25 1wg6 n GLY 85 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.36 4.66 0.85 1.61 2.12 -0.26 -5.01 118.70 122.31 1wg6 s GLU 86 Ca 0.00 1.39 -0.11 0.00 0.36 0.00 0.00 54.97 56.60 1wg6 s GLU 86 Cb 0.00 -3.38 0.10 0.00 0.26 0.00 0.00 34.13 31.11 1wg6 s GLU 86 CO 0.00 0.22 1.09 -0.08 -0.54 0.00 0.00 175.26 175.95 1wg6 s THR 87 N 0.01 2.89 0.00 -1.70 -1.32 -1.26 0.17 115.64 114.43 1wg6 s THR 87 Ca 0.46 0.29 0.00 0.00 -1.21 0.00 0.00 61.69 61.23 1wg6 s THR 87 Cb -0.23 -2.83 0.00 0.00 -1.51 0.00 0.00 72.50 67.93 1wg6 s THR 87 CO 0.29 -0.38 0.00 0.18 -2.21 0.00 0.00 174.62 172.50 1wg6 n LEU 88 N -3.71 0.59 -0.35 9.08 4.77 -1.26 -4.70 117.00 121.42 1wg6 n LEU 88 Ca 0.07 0.00 0.24 0.00 -0.03 0.00 0.00 56.01 56.29 1wg6 n LEU 88 Cb 0.55 0.00 0.49 0.00 -2.33 0.00 0.00 43.42 42.13 1wg6 n LEU 88 CO 0.55 -0.05 1.17 -0.07 -1.33 0.00 0.00 177.39 177.66 1wg6 h LEU 89 N 0.00 0.49 -0.98 2.23 3.38 -1.85 1.20 115.31 119.78 1wg6 h LEU 89 Ca 0.00 0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1wg6 h LEU 89 Cb 0.48 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1wg6 h LEU 89 CO 0.00 -0.03 0.08 1.23 0.09 0.00 0.00 178.44 179.82 1wg6 h GLY 90 N 0.37 0.88 -0.64 0.83 0.00 -1.95 -3.44 103.07 99.12 1wg6 h GLY 90 Ca 0.69 -0.54 -0.31 0.00 0.00 0.00 0.00 47.33 47.18 1wg6 h GLY 90 CO -0.46 0.50 0.23 0.28 0.00 0.00 0.00 176.54 177.09 1wg6 n LYS 91 N -4.25 -1.52 -3.42 4.80 5.02 0.41 -5.09 118.16 114.12 1wg6 n LYS 91 Ca 0.03 -1.43 -0.21 0.00 -2.02 0.00 0.00 58.31 54.69 1wg6 n LYS 91 Cb 0.25 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 1wg6 n LYS 91 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1wg6 s SER 92 N -4.25 5.08 0.24 4.39 0.01 -1.26 -4.77 113.70 113.13 1wg6 s SER 92 Ca 0.54 -0.82 -0.07 0.00 1.31 0.00 0.00 55.95 56.92 1wg6 s SER 92 Cb -0.03 -0.19 0.42 0.00 0.21 0.00 0.00 66.02 66.43 1wg6 s SER 92 CO 0.39 -0.92 1.68 0.78 0.41 0.00 0.00 173.24 175.58 1wg6 h ASN 93 N 0.71 -0.08 0.00 2.44 4.21 -1.92 0.93 115.58 121.88 1wg6 h ASN 93 Ca -0.38 0.15 0.00 0.00 1.21 0.00 0.00 56.30 57.28 1wg6 h ASN 93 Cb 1.28 0.22 0.00 0.00 -1.12 0.00 0.00 38.32 38.70 1wg6 h ASN 93 CO 0.51 -0.06 0.00 0.00 -1.29 0.00 0.00 177.43 176.59 1wg6 n HIS 94 N -5.20 0.00 -0.35 1.19 1.44 -1.26 -2.82 115.22 108.22 1wg6 n HIS 94 Ca 0.13 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.77 1wg6 n HIS 94 Cb 0.43 -0.19 -0.05 0.00 0.12 0.00 0.00 29.99 30.30 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 -1.07 -0.32 0.00 -1.40 1.02 -1.16 -0.24 120.64 117.47 1wg6 n GLU 95 Ca 0.00 1.29 0.00 0.00 -0.02 0.00 0.00 57.16 58.43 1wg6 n GLU 95 Cb 0.00 -1.90 0.00 0.00 -0.02 0.00 0.00 31.44 29.52 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 -3.42 0.00 -0.15 0.62 0.00 0.32 0.23 120.51 118.11 1wg6 n ALA 96 Ca 0.04 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.65 1wg6 n ALA 96 Cb 0.26 0.40 0.55 0.00 0.00 0.00 0.00 19.45 20.66 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 0.32 -0.54 0.00 2.86 -0.83 0.90 114.93 117.64 1wg6 h MET 97 Ca 0.00 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.52 1wg6 h MET 97 Cb 0.00 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 1wg6 h MET 97 CO 0.00 0.21 -0.07 0.93 1.06 0.00 0.00 176.91 179.03 1wg6 h GLU 98 N 0.33 1.00 -0.56 1.72 4.39 0.54 -2.71 114.58 119.29 1wg6 h GLU 98 Ca 0.36 -0.36 0.01 0.00 0.34 0.00 0.00 59.36 59.71 1wg6 h GLU 98 Cb 0.95 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.50 1wg6 h GLU 98 CO -0.10 1.04 0.37 1.15 -1.16 0.00 0.00 179.01 180.31 1wg6 h THR 99 N 0.88 1.14 0.00 1.13 2.02 0.53 -0.93 112.91 117.68 1wg6 h THR 99 Ca 0.14 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1wg6 h THR 99 Cb 0.64 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1wg6 h THR 99 CO 0.04 0.14 0.00 -0.11 0.37 0.00 0.00 175.52 175.96 1wg6 n LEU 100 N -4.45 0.00 -0.33 2.58 7.94 -0.94 -0.03 117.00 121.76 1wg6 n LEU 100 Ca 0.05 0.79 0.35 0.00 -1.11 0.00 0.00 56.01 56.10 1wg6 n LEU 100 Cb 0.05 -0.29 0.74 0.00 0.53 0.00 0.00 43.42 44.45 1wg6 n LEU 100 CO 0.36 -0.29 1.32 0.08 -1.11 0.00 0.00 177.39 177.74 1wg6 h ARG 101 N 0.00 0.02 0.36 1.96 0.11 -1.51 0.31 114.38 115.62 1wg6 h ARG 101 Ca 0.00 -0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 1wg6 h ARG 101 Cb 0.00 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1wg6 h ARG 101 CO 0.00 0.01 -0.17 -0.09 0.10 0.00 0.00 179.97 179.82 1wg6 h ARG 102 N 0.02 -0.46 -0.69 0.08 1.12 -0.62 -2.30 114.38 111.52 1wg6 h ARG 102 Ca 0.57 0.03 0.08 0.00 -1.11 0.00 0.00 59.98 59.55 1wg6 h ARG 102 Cb 2.26 0.10 -0.04 0.00 -0.01 0.00 0.00 29.97 32.28 1wg6 h ARG 102 CO -0.02 -0.31 0.46 0.77 -3.11 0.00 0.00 179.97 177.76 1wg6 h SER 103 N -0.56 0.56 -0.25 -3.80 0.02 0.77 0.47 113.55 110.76 1wg6 h SER 103 Ca -0.05 0.01 0.07 0.00 -0.84 0.00 0.00 61.79 60.98 1wg6 h SER 103 Cb 0.37 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1wg6 h SER 103 CO 0.08 0.35 0.19 0.24 -1.14 0.00 0.00 176.83 176.55 1wg6 h MET 104 N 0.63 0.00 0.05 3.45 2.86 -0.38 1.80 114.93 123.34 1wg6 h MET 104 Ca 0.31 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.57 1wg6 h MET 104 Cb 0.39 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.00 1wg6 h MET 104 CO -0.10 0.00 -2.21 -1.13 1.06 0.00 0.00 176.91 174.52 1wg6 n SER 105 N -4.43 2.02 -0.01 1.22 3.41 0.29 -3.74 113.62 112.39 1wg6 n SER 105 Ca 0.03 0.09 -0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1wg6 n SER 105 Cb 0.34 -0.67 -0.00 0.00 -0.26 0.00 0.00 64.21 63.62 1wg6 n SER 105 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1wg6 h MET 106 N -0.17 0.00 -0.17 4.33 -1.53 0.20 -2.28 114.93 115.31 1wg6 h MET 106 Ca -0.52 0.00 0.05 0.00 -3.44 0.00 0.00 59.70 55.79 1wg6 h MET 106 Cb 1.87 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 32.91 1wg6 h MET 106 CO -0.07 0.00 0.30 0.93 0.14 0.00 0.00 176.91 178.20 1wg6 h GLU 107 N -0.22 0.00 -0.01 0.39 4.39 0.22 1.08 114.58 120.43 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 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1wg6 h GLU 107 CO 0.00 0.00 -0.55 0.41 -1.16 0.00 0.00 179.01 177.71 1wg6 n GLY 108 N -1.34 -0.69 0.08 -3.84 0.00 0.24 -2.46 105.19 97.18 1wg6 n GLY 108 Ca 0.02 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 1wg6 n GLY 108 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1wg6 h ASN 109 N 0.95 0.00 0.09 1.61 2.35 0.18 -1.80 115.58 118.95 1wg6 h ASN 109 Ca 0.00 -0.41 -0.26 0.00 -0.55 0.00 0.00 56.30 55.08 1wg6 h ASN 109 Cb 0.57 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.96 1wg6 h ASN 109 CO 0.00 1.05 -1.04 0.16 -1.65 0.00 0.00 177.43 175.96 1wg6 h ILE 110 N -1.00 1.31 0.00 2.81 -2.65 -1.52 -3.38 117.51 113.07 1wg6 h ILE 110 Ca -0.13 -2.31 0.00 0.00 1.03 0.00 0.00 64.86 63.45 1wg6 h ILE 110 Cb 0.84 2.41 0.00 0.00 -2.05 0.00 0.00 36.82 38.02 1wg6 h ILE 110 CO -0.08 0.71 -0.00 -0.09 0.03 0.00 0.00 178.15 178.71 1wg6 h ARG 111 N 0.35 0.00 0.00 0.16 9.65 -1.68 -3.49 114.38 119.37 1wg6 h ARG 111 Ca -0.12 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.76 1wg6 h ARG 111 Cb 1.69 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.27 1wg6 h ARG 111 CO 0.20 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.38 1wg6 n GLY 112 N 1.93 1.23 0.42 2.80 0.00 -0.68 -4.99 105.19 105.90 1wg6 n GLY 112 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.93 1.61 0.00 -1.26 0.31 117.12 113.95 1wg6 n MET 113 Ca 0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 57.70 57.29 1wg6 n MET 113 Cb 0.00 0.33 -0.07 0.00 0.00 0.00 0.00 33.22 33.48 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 -2.62 0.09 0.07 3.17 2.07 0.36 -3.75 121.20 120.58 1wg6 s ILE 114 Ca 0.03 -1.33 0.05 0.00 -1.41 0.00 0.00 60.65 57.98 1wg6 s ILE 114 Cb -0.00 -1.69 -0.03 0.00 0.13 0.00 0.00 42.46 40.87 1wg6 s ILE 114 CO 0.02 -0.41 -0.14 -1.58 -1.91 0.00 0.00 174.94 170.93 1wg6 s GLN 115 N -3.94 0.79 -0.09 3.50 0.74 -1.26 0.12 119.66 119.53 1wg6 s GLN 115 Ca 0.14 -0.94 0.02 0.00 0.05 0.00 0.00 55.36 54.62 1wg6 s GLN 115 Cb 0.04 -0.78 0.02 0.00 1.10 0.00 0.00 33.01 33.38 1wg6 s GLN 115 CO -0.03 0.17 -0.12 -0.51 -0.55 0.00 0.00 175.29 174.24 1wg6 s LEU 116 N -1.74 1.59 -0.31 3.68 1.43 -0.67 -1.95 118.68 120.71 1wg6 s LEU 116 Ca -0.03 -0.34 -0.04 0.00 -1.03 0.00 0.00 54.13 52.70 1wg6 s LEU 116 Cb -0.10 -0.91 0.04 0.00 0.03 0.00 0.00 46.19 45.25 1wg6 s LEU 116 CO 0.02 0.00 0.04 -0.69 0.23 0.00 0.00 176.35 175.95 1wg6 s VAL 117 N 0.95 3.35 0.23 -1.59 1.01 -1.22 -2.14 120.40 120.99 1wg6 s VAL 117 Ca -0.09 -1.19 0.07 0.00 0.00 0.00 0.00 61.98 60.77 1wg6 s VAL 117 Cb -0.15 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1wg6 s VAL 117 CO 0.00 -0.08 0.18 0.27 0.00 0.00 0.00 175.10 175.47 1wg6 s ILE 118 N 1.34 4.46 -0.06 2.22 -5.25 -0.77 -0.17 121.20 122.97 1wg6 s ILE 118 Ca -0.03 -1.33 -0.01 0.00 -0.99 0.00 0.00 60.65 58.29 1wg6 s ILE 118 Cb -0.19 -3.38 0.03 0.00 2.95 0.00 0.00 42.46 41.87 1wg6 s ILE 118 CO 0.00 -0.30 0.00 -0.22 -1.79 0.00 0.00 174.94 172.64 1wg6 s LEU 119 N -3.69 0.66 0.02 0.37 1.98 -1.23 -2.35 118.68 114.44 1wg6 s LEU 119 Ca 0.32 -0.07 0.02 0.00 -2.89 0.00 0.00 54.13 51.52 1wg6 s LEU 119 Cb -0.08 -0.39 -0.01 0.00 0.66 0.00 0.00 46.19 46.36 1wg6 s LEU 119 CO 0.25 -0.18 -0.07 -0.60 -1.89 0.00 0.00 176.35 173.85 1wg6 s ARG 120 N 1.82 0.52 0.45 1.98 3.52 0.84 -4.67 118.95 123.41 1wg6 s ARG 120 Ca 0.02 -0.49 -0.20 0.00 -0.13 0.00 0.00 55.73 54.93 1wg6 s ARG 120 Cb -0.12 -0.41 -0.10 0.00 -1.56 0.00 0.00 34.95 32.76 1wg6 s ARG 120 CO -0.04 0.10 0.97 1.03 -0.81 0.00 0.00 175.30 176.55 1wg6 s ARG 121 N -0.86 4.10 -0.23 5.12 3.00 -1.26 -1.28 118.95 127.54 1wg6 s ARG 121 Ca -0.03 1.14 -0.01 0.00 0.00 0.00 0.00 55.73 56.82 1wg6 s ARG 121 Cb -0.06 -2.16 -0.18 0.00 0.00 0.00 0.00 34.95 32.55 1wg6 s ARG 121 CO 0.00 -0.15 -0.12 0.43 0.00 0.00 0.00 175.30 175.47 1wg6 n SER 122 N -0.85 2.01 0.00 0.23 7.64 -1.26 -4.24 113.62 117.14 1wg6 n SER 122 Ca 0.07 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1wg6 n SER 122 Cb 0.54 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1wg6 n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wg6 n GLY 123 N 2.13 -0.72 2.14 0.23 0.00 -1.26 -3.94 105.19 103.78 1wg6 n GLY 123 Ca -0.44 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.35 1.57 -2.70 1.61 -0.04 -1.26 -4.11 135.00 129.72 1wg6 n PRO 124 Ca 0.00 -0.81 -0.03 0.00 -0.04 0.00 0.00 63.50 62.62 1wg6 n PRO 124 Cb 0.00 -1.91 0.03 0.00 -0.04 0.00 0.00 33.50 31.57 1wg6 n PRO 124 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wg6 s SER 125 N 2.28 -0.56 -0.18 3.54 0.01 -1.25 -4.89 113.70 112.65 1wg6 s SER 125 Ca 0.50 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1wg6 s SER 125 Cb 0.23 0.74 0.04 0.00 0.21 0.00 0.00 66.02 67.24 1wg6 s SER 125 CO -0.00 -0.02 -0.10 -0.55 0.41 0.00 0.00 173.24 172.98 1wg6 s SER 126 N 1.00 3.09 0.00 2.44 0.15 -1.26 -4.46 113.70 114.66 1wg6 s SER 126 Ca 0.25 -0.74 0.00 0.00 0.70 0.00 0.00 55.95 56.16 1wg6 s SER 126 Cb 0.09 -1.14 0.00 0.00 -1.71 0.00 0.00 66.02 63.27 1wg6 s SER 126 CO -0.09 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.82