#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wft s SER 2 N 0.00 2.76 0.06 1.61 0.01 -1.26 -5.14 113.70 111.74 1wft s SER 2 Ca 0.00 -0.54 0.04 0.00 1.31 0.00 0.00 55.95 56.76 1wft s SER 2 Cb 0.00 -0.24 -0.03 0.00 0.21 0.00 0.00 66.02 65.96 1wft s SER 2 CO 0.00 0.21 -0.12 -0.55 0.41 0.00 0.00 173.24 173.18 1wft s SER 3 N -1.16 1.45 0.00 2.44 0.15 -1.26 -5.05 113.70 110.27 1wft s SER 3 Ca 0.09 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.19 1wft s SER 3 Cb -0.09 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.17 1wft s SER 3 CO 0.02 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1wft n GLY 4 N 1.51 0.23 2.89 9.45 0.00 -1.26 -4.94 105.19 113.07 1wft n GLY 4 Ca -0.21 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 1wft n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wft s SER 5 N 0.00 0.17 -1.57 1.61 0.15 -1.26 -4.85 113.70 107.95 1wft s SER 5 Ca 0.00 -0.03 -0.13 0.00 0.70 0.00 0.00 55.95 56.49 1wft s SER 5 Cb 0.00 -0.02 0.10 0.00 -1.71 0.00 0.00 66.02 64.39 1wft s SER 5 CO 0.00 0.02 0.82 -1.20 1.20 0.00 0.00 173.24 174.07 1wft n SER 6 N 3.06 -3.41 0.00 5.45 7.64 -1.26 -4.95 113.62 120.14 1wft n SER 6 Ca -0.12 -0.90 0.00 0.00 1.01 0.00 0.00 58.87 58.85 1wft n SER 6 Cb 0.59 -3.34 0.00 0.00 -1.01 0.00 0.00 64.21 60.45 1wft n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wft n GLY 7 N -1.61 4.99 3.30 0.23 0.00 -1.26 -5.14 105.19 105.71 1wft n GLY 7 Ca -0.01 -1.99 -0.28 0.00 0.00 0.00 0.00 46.02 43.74 1wft n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wft n PRO 8 N 0.00 -3.04 -0.46 1.61 -0.04 -1.26 -4.99 135.00 126.82 1wft n PRO 8 Ca 0.00 -1.65 0.00 0.00 -0.04 0.00 0.00 63.50 61.81 1wft n PRO 8 Cb 0.00 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 1wft n PRO 8 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wft n GLY 9 N -4.36 0.83 3.87 0.55 0.00 -1.26 -4.25 105.19 100.57 1wft n GLY 9 Ca 0.14 -1.94 -0.25 0.00 0.00 0.00 0.00 46.02 43.97 1wft n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wft s ALA 10 N -2.74 3.76 -0.01 4.61 0.00 -1.26 -4.47 121.76 121.64 1wft s ALA 10 Ca 0.00 -1.17 -0.30 0.00 0.00 0.00 0.00 51.96 50.49 1wft s ALA 10 Cb 0.00 -1.55 -0.06 0.00 0.00 0.00 0.00 23.12 21.51 1wft s ALA 10 CO 0.00 0.47 1.46 -1.25 0.00 0.00 0.00 175.76 176.43 1wft s PRO 11 N -3.30 4.26 0.26 0.00 0.04 -1.26 -3.92 135.00 131.07 1wft s PRO 11 Ca 0.33 2.02 0.09 0.00 0.04 0.00 0.00 61.00 63.47 1wft s PRO 11 Cb -0.10 -3.64 -0.04 0.00 0.04 0.00 0.00 34.50 30.76 1wft s PRO 11 CO 0.26 -0.64 0.08 -1.54 0.04 0.00 0.00 177.00 175.20 1wft s SER 12 N 2.13 4.94 -1.03 6.66 1.04 -0.85 -4.66 113.70 121.92 1wft s SER 12 Ca 0.66 -0.49 -0.04 0.00 0.48 0.00 0.00 55.95 56.56 1wft s SER 12 Cb -0.32 -1.07 0.00 0.00 0.10 0.00 0.00 66.02 64.73 1wft s SER 12 CO 0.27 -0.01 0.88 0.41 0.98 0.00 0.00 173.24 175.77 1wft n THR 13 N -1.00 -3.58 -2.72 2.02 -1.04 -1.26 -2.76 114.28 103.94 1wft n THR 13 Ca -0.07 -0.19 -0.42 0.00 -2.04 0.00 0.00 64.05 61.32 1wft n THR 13 Cb 0.58 -4.00 -0.03 0.00 -1.82 0.00 0.00 70.33 65.07 1wft n THR 13 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1wft s VAL 14 N -3.27 4.20 0.09 12.58 1.01 -1.26 -4.37 120.40 129.37 1wft s VAL 14 Ca 0.25 0.54 0.04 0.00 0.00 0.00 0.00 61.98 62.81 1wft s VAL 14 Cb -0.11 -4.64 -0.04 0.00 0.00 0.00 0.00 36.38 31.59 1wft s VAL 14 CO 0.59 -1.25 0.05 -0.13 0.00 0.00 0.00 175.10 174.36 1wft s ARG 15 N 4.46 2.77 -0.03 2.72 0.52 -0.83 -4.99 118.95 123.56 1wft s ARG 15 Ca 0.36 -0.75 0.02 0.00 -0.52 0.00 0.00 55.73 54.85 1wft s ARG 15 Cb -0.10 -2.66 0.01 0.00 0.52 0.00 0.00 34.95 32.71 1wft s ARG 15 CO 0.22 0.55 -0.09 0.42 0.02 0.00 0.00 175.30 176.42 1wft s ILE 16 N -1.37 0.79 -0.06 1.52 1.01 -1.26 -2.09 121.20 119.74 1wft s ILE 16 Ca 0.28 -0.34 -0.00 0.00 0.00 0.00 0.00 60.65 60.59 1wft s ILE 16 Cb -0.12 -0.72 0.03 0.00 0.01 0.00 0.00 42.46 41.66 1wft s ILE 16 CO 0.21 0.26 -0.02 -0.55 0.00 0.00 0.00 174.94 174.84 1wft s SER 17 N 0.35 1.29 0.04 3.58 0.15 -0.79 -5.02 113.70 113.31 1wft s SER 17 Ca -0.06 -0.10 -0.30 0.00 0.70 0.00 0.00 55.95 56.18 1wft s SER 17 Cb -0.10 -0.44 -0.07 0.00 -1.71 0.00 0.00 66.02 63.70 1wft s SER 17 CO 0.01 -0.13 1.46 -0.75 1.20 0.00 0.00 173.24 175.02 1wft s LYS 18 N 1.51 4.27 0.33 5.44 2.20 -1.26 -1.09 119.74 131.13 1wft s LYS 18 Ca -0.02 2.07 0.08 0.00 -0.36 0.00 0.00 55.97 57.74 1wft s LYS 18 Cb -0.13 -3.52 -0.03 0.00 -1.51 0.00 0.00 37.83 32.64 1wft s LYS 18 CO -0.03 -0.59 0.24 1.21 -0.36 0.00 0.00 175.35 175.82 1wft s ASN 19 N 1.85 5.11 0.20 1.43 2.47 0.63 -4.89 114.94 121.75 1wft s ASN 19 Ca 0.66 -0.57 -0.10 0.00 0.42 0.00 0.00 52.86 53.27 1wft s ASN 19 Cb -0.34 -0.91 0.14 0.00 -1.45 0.00 0.00 41.25 38.69 1wft s ASN 19 CO 0.28 -0.32 1.82 0.58 -3.72 0.00 0.00 177.10 175.74 1wft h VAL 20 N 1.35 1.23 0.00 -5.21 2.07 -1.95 -2.31 116.25 111.42 1wft h VAL 20 Ca -0.45 -0.57 -0.11 0.00 0.82 0.00 0.00 66.70 66.40 1wft h VAL 20 Cb 1.25 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1wft h VAL 20 CO 0.60 0.25 -0.51 -0.78 0.02 0.00 0.00 177.57 177.15 1wft h ASP 21 N 1.03 0.00 0.00 0.57 3.58 -1.95 -3.49 116.42 116.15 1wft h ASP 21 Ca 0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.71 1wft h ASP 21 Cb 0.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.09 1wft h ASP 21 CO -0.04 0.51 0.00 0.61 -2.88 0.00 0.00 179.24 177.44 1wft n GLY 22 N 0.11 -0.37 3.21 -0.78 0.00 -0.87 -4.41 105.19 102.10 1wft n GLY 22 Ca -0.01 0.47 -0.25 0.00 0.00 0.00 0.00 46.02 46.23 1wft n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wft s ILE 23 N 0.00 1.53 -0.28 -0.61 1.01 0.70 -0.27 121.20 123.28 1wft s ILE 23 Ca 0.00 -1.02 -0.05 0.00 0.00 0.00 0.00 60.65 59.58 1wft s ILE 23 Cb 0.00 -1.32 0.02 0.00 0.01 0.00 0.00 42.46 41.17 1wft s ILE 23 CO 0.00 0.26 0.03 -2.28 0.00 0.00 0.00 174.94 172.95 1wft s HIS 24 N -0.67 3.14 -0.22 3.97 5.65 -0.25 -0.00 115.29 126.91 1wft s HIS 24 Ca 0.07 -1.29 -0.07 0.00 0.25 0.00 0.00 55.06 54.01 1wft s HIS 24 Cb -0.08 -2.17 -0.04 0.00 -1.18 0.00 0.00 32.58 29.11 1wft s HIS 24 CO 0.01 -0.66 0.07 -1.17 -0.65 0.00 0.00 174.74 172.34 1wft s LEU 25 N 1.41 3.63 0.04 8.88 2.96 0.50 -1.88 118.68 134.22 1wft s LEU 25 Ca 0.01 -0.07 0.04 0.00 -0.22 0.00 0.00 54.13 53.89 1wft s LEU 25 Cb -0.17 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 1wft s LEU 25 CO -0.00 0.06 -0.12 -0.94 -1.32 0.00 0.00 176.35 174.02 1wft s SER 26 N 1.06 1.43 0.23 3.68 1.04 -0.89 -0.20 113.70 120.05 1wft s SER 26 Ca 0.04 -0.47 -0.00 0.00 0.48 0.00 0.00 55.95 56.00 1wft s SER 26 Cb -0.14 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.91 1wft s SER 26 CO 0.03 -0.03 0.30 -2.67 0.98 0.00 0.00 173.24 171.85 1wft n TRP 27 N 1.80 -1.00 -3.82 5.02 2.14 -0.40 -1.97 117.44 119.21 1wft n TRP 27 Ca -0.19 -1.57 -0.11 0.00 2.07 0.00 0.00 57.50 57.70 1wft n TRP 27 Cb 0.55 0.33 -0.08 0.00 -0.81 0.00 0.00 31.31 31.30 1wft n TRP 27 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 1wft s GLU 28 N -2.57 0.74 0.71 -2.67 0.41 -1.11 -4.75 118.70 109.45 1wft s GLU 28 Ca 0.20 -0.60 -0.13 0.00 -0.41 0.00 0.00 54.97 54.03 1wft s GLU 28 Cb -0.00 0.31 0.03 0.00 -1.78 0.00 0.00 34.13 32.68 1wft s GLU 28 CO 0.14 -0.22 1.10 -1.25 -0.49 0.00 0.00 175.26 174.54 1wft s PRO 29 N -2.61 2.53 -0.01 0.39 0.04 -1.26 -2.01 135.00 132.06 1wft s PRO 29 Ca -0.05 1.28 -0.25 0.00 0.04 0.00 0.00 61.00 62.03 1wft s PRO 29 Cb -0.01 -1.92 -0.20 0.00 0.04 0.00 0.00 34.50 32.41 1wft s PRO 29 CO -0.04 -1.44 1.28 -1.00 0.04 0.00 0.00 177.00 175.83 1wft h PRO 30 N -0.53 0.04 -4.20 0.56 0.13 -1.90 -3.40 132.00 122.71 1wft h PRO 30 Ca -0.45 -0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 64.53 1wft h PRO 30 Cb 1.24 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.22 1wft h PRO 30 CO 0.53 0.52 -0.66 0.95 -0.23 0.00 0.00 178.00 179.10 1wft s THR 31 N -4.27 0.21 -0.04 1.56 -4.23 -1.26 -4.99 115.64 102.63 1wft s THR 31 Ca -0.16 -1.71 -0.13 0.00 -1.18 0.00 0.00 61.69 58.51 1wft s THR 31 Cb 0.02 -1.42 -0.07 0.00 1.34 0.00 0.00 72.50 72.37 1wft s THR 31 CO 0.68 -0.95 0.56 0.28 -0.54 0.00 0.00 174.62 174.66 1wft h SER 32 N 3.23 -0.40 0.00 3.99 0.02 -1.99 -3.23 113.55 115.18 1wft h SER 32 Ca -0.34 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1wft h SER 32 Cb 1.15 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1wft h SER 32 CO 0.64 0.01 0.00 -0.81 -1.14 0.00 0.00 176.83 175.52 1wft n PRO 33 N -4.87 0.49 -0.39 3.45 -0.04 -1.26 -4.03 135.00 128.36 1wft n PRO 33 Ca -0.06 0.00 0.32 0.00 -0.04 0.00 0.00 63.50 63.72 1wft n PRO 33 Cb 0.18 -1.35 0.51 0.00 -0.04 0.00 0.00 33.50 32.80 1wft n PRO 33 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wft n SER 34 N -0.85 0.11 0.00 3.54 3.41 -1.22 -4.83 113.62 113.77 1wft n SER 34 Ca 0.08 0.91 0.00 0.00 -0.26 0.00 0.00 58.87 59.60 1wft n SER 34 Cb 0.04 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 1wft n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wft n GLY 35 N -1.45 0.46 3.18 5.00 0.00 -1.26 -4.96 105.19 106.16 1wft n GLY 35 Ca 0.30 -1.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.30 1wft n GLY 35 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wft s ASN 36 N -4.00 5.95 -1.06 1.61 0.01 -1.26 -5.01 114.94 111.18 1wft s ASN 36 Ca 0.00 -3.01 -0.22 0.00 -0.71 0.00 0.00 52.86 48.92 1wft s ASN 36 Cb 0.00 -1.99 0.05 0.00 0.41 0.00 0.00 41.25 39.71 1wft s ASN 36 CO 0.00 -0.39 1.53 -0.63 -1.51 0.00 0.00 177.10 176.10 1wft s ILE 37 N -0.30 3.92 0.00 0.60 1.01 -1.26 -4.63 121.20 120.54 1wft s ILE 37 Ca 0.20 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.94 1wft s ILE 37 Cb -0.14 -5.01 0.00 0.00 0.01 0.00 0.00 42.46 37.31 1wft s ILE 37 CO -0.07 -1.88 0.54 0.18 0.00 0.00 0.00 174.94 173.71 1wft n LEU 38 N 9.18 0.00 -3.86 2.97 4.77 -1.17 -4.74 117.00 124.15 1wft n LEU 38 Ca 0.36 0.54 -0.10 0.00 -0.03 0.00 0.00 56.01 56.78 1wft n LEU 38 Cb 0.50 -0.18 -0.08 0.00 -2.33 0.00 0.00 43.42 41.33 1wft n LEU 38 CO 0.67 -0.18 -0.11 -1.61 -1.33 0.00 0.00 177.39 174.83 1wft s GLU 39 N -2.00 0.74 0.45 3.23 2.02 -1.26 -4.89 118.70 116.99 1wft s GLU 39 Ca 0.00 -0.77 0.05 0.00 0.02 0.00 0.00 54.97 54.27 1wft s GLU 39 Cb 0.00 0.30 0.01 0.00 0.10 0.00 0.00 34.13 34.55 1wft s GLU 39 CO 0.00 -0.22 0.62 0.71 0.02 0.00 0.00 175.26 176.39 1wft s TYR 40 N -3.07 2.89 -0.05 1.61 1.51 0.30 -3.80 117.35 116.74 1wft s TYR 40 Ca -0.01 -0.22 -0.04 0.00 -1.01 0.00 0.00 57.07 55.79 1wft s TYR 40 Cb 0.01 -2.44 0.02 0.00 -0.11 0.00 0.00 41.96 39.45 1wft s TYR 40 CO -0.07 -0.50 0.13 0.45 -1.11 0.00 0.00 175.55 174.45 1wft s SER 41 N -4.34 -0.11 -0.25 2.29 0.15 -1.23 -3.24 113.70 106.96 1wft s SER 41 Ca 0.54 0.26 0.03 0.00 0.70 0.00 0.00 55.95 57.47 1wft s SER 41 Cb -0.10 0.21 0.06 0.00 -1.71 0.00 0.00 66.02 64.48 1wft s SER 41 CO 0.35 -0.08 -0.11 0.00 1.20 0.00 0.00 173.24 174.60 1wft s ALA 42 N 0.50 2.48 0.17 5.45 0.00 -1.16 -3.17 121.76 126.03 1wft s ALA 42 Ca -0.04 -1.69 -0.02 0.00 0.00 0.00 0.00 51.96 50.22 1wft s ALA 42 Cb -0.05 -1.55 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 1wft s ALA 42 CO -0.02 -1.16 0.37 0.71 0.00 0.00 0.00 175.76 175.66 1wft s TYR 43 N 1.15 3.48 -0.23 0.00 1.51 0.25 -2.58 117.35 120.93 1wft s TYR 43 Ca -0.08 0.41 -0.02 0.00 -1.01 0.00 0.00 57.07 56.37 1wft s TYR 43 Cb -0.20 -1.90 0.07 0.00 -0.11 0.00 0.00 41.96 39.83 1wft s TYR 43 CO -0.06 0.41 0.06 -1.17 -1.11 0.00 0.00 175.55 173.69 1wft s LEU 44 N -3.03 1.39 0.04 -1.29 2.96 -1.03 -1.33 118.68 116.38 1wft s LEU 44 Ca 0.39 -1.08 -0.30 0.00 -0.22 0.00 0.00 54.13 52.92 1wft s LEU 44 Cb -0.12 -0.64 -0.15 0.00 0.50 0.00 0.00 46.19 45.78 1wft s LEU 44 CO 0.27 -0.35 0.76 0.00 -1.32 0.00 0.00 176.35 175.71 1wft n ALA 45 N 5.02 -2.91 -2.56 5.97 0.00 -1.25 -4.24 120.51 120.54 1wft n ALA 45 Ca -0.07 0.45 -0.25 0.00 0.00 0.00 0.00 53.44 53.57 1wft n ALA 45 Cb 0.45 -1.38 -0.15 0.00 0.00 0.00 0.00 19.45 18.37 1wft n ALA 45 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1wft s ILE 46 N -0.18 1.40 0.35 0.00 -4.36 -0.91 -1.11 121.20 116.40 1wft s ILE 46 Ca 0.68 -0.75 -0.28 0.00 -0.26 0.00 0.00 60.65 60.04 1wft s ILE 46 Cb -0.95 -1.17 -0.11 0.00 1.25 0.00 0.00 42.46 41.48 1wft s ILE 46 CO 0.45 0.40 1.41 -0.60 0.24 0.00 0.00 174.94 176.85 1wft s ARG 47 N -0.34 4.21 0.58 0.37 3.00 -0.89 -4.38 118.95 121.50 1wft s ARG 47 Ca 0.05 2.42 -0.20 0.00 -1.00 0.00 0.00 55.73 57.00 1wft s ARG 47 Cb -0.08 -3.01 -0.04 0.00 0.00 0.00 0.00 34.95 31.82 1wft s ARG 47 CO -0.00 -0.39 1.32 -0.08 0.00 0.00 0.00 175.30 176.14 1wft s THR 48 N -1.09 2.16 -0.49 4.11 -1.32 -1.26 -4.94 115.64 112.81 1wft s THR 48 Ca 0.51 0.11 0.03 0.00 -1.21 0.00 0.00 61.69 61.13 1wft s THR 48 Cb -0.44 -3.05 0.44 0.00 -1.51 0.00 0.00 72.50 67.94 1wft s THR 48 CO 0.58 -0.01 1.58 0.00 -2.21 0.00 0.00 174.62 174.57 1wft n ALA 49 N -1.32 5.66 -3.54 11.08 0.00 -1.26 -4.98 120.51 126.16 1wft n ALA 49 Ca 0.12 -3.74 -0.12 0.00 0.00 0.00 0.00 53.44 49.71 1wft n ALA 49 Cb 0.46 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.83 1wft n ALA 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1wft s GLN 50 N -3.72 0.78 -0.25 0.00 0.74 -1.26 -5.15 119.66 110.80 1wft s GLN 50 Ca 0.56 0.04 -0.08 0.00 0.05 0.00 0.00 55.36 55.93 1wft s GLN 50 Cb 0.45 0.36 -0.04 0.00 1.10 0.00 0.00 33.01 34.89 1wft s GLN 50 CO -0.03 -0.27 0.10 -1.64 -0.55 0.00 0.00 175.29 172.90 1wft s MET 51 N -1.72 3.78 -0.30 1.67 -1.94 -1.26 -5.05 119.30 114.48 1wft s MET 51 Ca -0.02 -0.42 -0.15 0.00 -1.71 0.00 0.00 55.69 53.39 1wft s MET 51 Cb -0.01 -3.40 0.16 0.00 2.01 0.00 0.00 34.83 33.59 1wft s MET 51 CO 0.00 -0.12 0.96 1.14 -0.01 0.00 0.00 175.02 176.99 1wft s GLN 52 N 1.48 0.34 -0.62 2.03 0.00 -1.26 -5.10 119.66 116.53 1wft s GLN 52 Ca 0.06 0.75 -0.31 0.00 -0.00 0.00 0.00 55.36 55.86 1wft s GLN 52 Cb -0.15 0.34 -0.14 0.00 0.00 0.00 0.00 33.01 33.06 1wft s GLN 52 CO 0.05 -0.10 2.44 -0.40 0.00 0.00 0.00 175.29 177.29 1wft n ASP 53 N 4.56 1.54 -4.06 12.60 5.68 -1.26 -4.90 116.55 130.72 1wft n ASP 53 Ca -0.13 0.01 -0.11 0.00 -0.50 0.00 0.00 54.79 54.06 1wft n ASP 53 Cb 0.54 -1.25 -0.11 0.00 -1.14 0.00 0.00 41.12 39.16 1wft n ASP 53 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1wft s ASN 54 N 9.60 0.72 1.07 -1.12 2.20 -1.26 -5.16 114.94 120.99 1wft s ASN 54 Ca 1.15 -0.61 -0.15 0.00 -0.94 0.00 0.00 52.86 52.31 1wft s ASN 54 Cb -0.77 0.07 0.22 0.00 -2.00 0.00 0.00 41.25 38.77 1wft s ASN 54 CO 0.41 -0.28 1.10 -2.16 -2.94 0.00 0.00 177.10 173.23 1wft s PRO 55 N -1.94 -0.16 -0.61 3.55 0.04 -1.26 -4.83 135.00 129.79 1wft s PRO 55 Ca -0.08 0.31 -0.29 0.00 0.04 0.00 0.00 61.00 60.99 1wft s PRO 55 Cb -0.07 -1.69 -0.12 0.00 0.04 0.00 0.00 34.50 32.66 1wft s PRO 55 CO -0.01 -3.08 2.47 0.43 0.04 0.00 0.00 177.00 176.84 1wft n SER 56 N -4.39 1.74 -3.80 6.66 7.64 -1.26 -4.89 113.62 115.33 1wft n SER 56 Ca 0.07 -0.19 -0.12 0.00 1.01 0.00 0.00 58.87 59.64 1wft n SER 56 Cb 0.58 -1.36 -0.12 0.00 -1.01 0.00 0.00 64.21 62.31 1wft n SER 56 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1wft s GLN 57 N 8.20 0.29 -0.09 1.43 -0.21 -1.26 -5.15 119.66 122.87 1wft s GLN 57 Ca 1.10 0.22 -0.01 0.00 0.02 0.00 0.00 55.36 56.70 1wft s GLN 57 Cb -0.57 0.14 0.03 0.00 1.00 0.00 0.00 33.01 33.60 1wft s GLN 57 CO 0.36 -0.04 -0.04 -0.51 -2.12 0.00 0.00 175.29 172.93 1wft s LEU 58 N -0.07 0.96 0.06 2.90 1.43 -1.26 -5.03 118.68 117.67 1wft s LEU 58 Ca -0.02 -0.20 -0.24 0.00 -1.03 0.00 0.00 54.13 52.64 1wft s LEU 58 Cb -0.02 -0.65 -0.06 0.00 0.03 0.00 0.00 46.19 45.49 1wft s LEU 58 CO 0.01 -0.14 0.74 -0.69 0.23 0.00 0.00 176.35 176.49 1wft s VAL 59 N 1.73 4.70 -0.02 -1.59 1.01 -1.26 -4.99 120.40 119.99 1wft s VAL 59 Ca 0.03 1.58 0.06 0.00 0.00 0.00 0.00 61.98 63.65 1wft s VAL 59 Cb -0.13 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 1wft s VAL 59 CO -0.06 0.40 -0.19 -0.36 0.00 0.00 0.00 175.10 174.89 1wft s PHE 60 N -0.26 2.55 0.11 5.22 0.40 -1.26 -2.13 117.98 122.61 1wft s PHE 60 Ca 0.37 -0.27 0.06 0.00 -0.60 0.00 0.00 56.93 56.49 1wft s PHE 60 Cb -0.21 -1.54 -0.04 0.00 0.51 0.00 0.00 43.02 41.74 1wft s PHE 60 CO 0.22 0.14 -0.15 0.00 0.70 0.00 0.00 175.22 176.13 1wft s MET 61 N -0.88 1.01 -0.03 0.44 0.23 -1.26 -4.95 119.30 113.86 1wft s MET 61 Ca 0.12 -1.19 -0.30 0.00 -1.03 0.00 0.00 55.69 53.29 1wft s MET 61 Cb -0.10 -0.98 -0.04 0.00 -1.53 0.00 0.00 34.83 32.19 1wft s MET 61 CO 0.01 0.20 1.15 0.50 -2.03 0.00 0.00 175.02 174.85 1wft s ARG 62 N -2.42 4.41 -0.10 3.16 3.52 -1.26 -2.46 118.95 123.81 1wft s ARG 62 Ca 0.07 1.63 0.03 0.00 -0.13 0.00 0.00 55.73 57.33 1wft s ARG 62 Cb -0.06 -3.49 -0.08 0.00 -1.56 0.00 0.00 34.95 29.75 1wft s ARG 62 CO 0.03 -0.33 -0.05 0.44 -0.81 0.00 0.00 175.30 174.59 1wft n ILE 63 N 4.34 0.59 -4.90 4.11 -5.35 -1.07 -4.99 119.36 112.09 1wft n ILE 63 Ca 0.09 -0.28 -0.27 0.00 -0.27 0.00 0.00 62.75 62.03 1wft n ILE 63 Cb 0.47 -0.84 -0.16 0.00 -1.74 0.00 0.00 39.64 37.37 1wft n ILE 63 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1wft s TYR 64 N -2.21 1.82 -0.12 4.28 5.04 -1.22 -5.06 117.35 119.88 1wft s TYR 64 Ca -0.10 -0.53 0.00 0.00 -2.44 0.00 0.00 57.07 54.00 1wft s TYR 64 Cb 0.03 -1.22 0.02 0.00 0.35 0.00 0.00 41.96 41.14 1wft s TYR 64 CO 0.28 -0.17 -0.10 0.00 -1.34 0.00 0.00 175.55 174.21 1wft n GLY 66 N 4.70 -1.40 0.14 0.00 0.00 -1.20 -5.00 105.19 102.44 1wft n GLY 66 Ca -0.15 -1.06 0.06 0.00 0.00 0.00 0.00 46.02 44.86 1wft n GLY 66 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1wft n LEU 67 N 0.00 1.76 0.00 0.99 -0.00 -1.26 -0.54 117.00 117.94 1wft n LEU 67 Ca 0.00 -2.41 0.02 0.00 -0.00 0.00 0.00 56.01 53.62 1wft n LEU 67 Cb 0.00 -0.27 0.13 0.00 -0.00 0.00 0.00 43.42 43.28 1wft n LEU 67 CO 0.00 0.56 0.52 1.17 -0.00 0.00 0.00 177.39 179.64 1wft n LYS 68 N -0.97 0.86 -1.76 1.47 3.00 -1.26 -4.83 118.16 114.66 1wft n LYS 68 Ca 0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.39 1wft n LYS 68 Cb 0.59 -1.08 -0.00 0.00 0.00 0.00 0.00 35.03 34.54 1wft n LYS 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1wft n THR 69 N -0.58 -0.04 -3.62 3.15 -2.24 -1.26 -4.77 114.28 104.91 1wft n THR 69 Ca 0.03 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.74 1wft n THR 69 Cb 0.02 -0.20 -0.06 0.00 -2.10 0.00 0.00 70.33 67.98 1wft n THR 69 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wft s SER 70 N -1.57 -0.29 0.27 3.42 1.04 -1.26 -1.27 113.70 114.03 1wft s SER 70 Ca 0.00 0.45 -0.10 0.00 0.48 0.00 0.00 55.95 56.78 1wft s SER 70 Cb 0.00 0.42 -0.00 0.00 0.10 0.00 0.00 66.02 66.54 1wft s SER 70 CO 0.00 -0.18 0.47 0.00 0.98 0.00 0.00 173.24 174.51 1wft s THR 72 N -3.76 1.56 -0.12 0.00 2.01 -1.26 -0.37 115.64 113.69 1wft s THR 72 Ca 0.25 -0.75 -0.03 0.00 0.31 0.00 0.00 61.69 61.47 1wft s THR 72 Cb -0.00 -1.36 -0.03 0.00 0.01 0.00 0.00 72.50 71.11 1wft s THR 72 CO 0.11 0.45 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.80 1wft s VAL 73 N 0.34 4.26 0.49 3.82 1.01 1.00 -4.95 120.40 126.38 1wft s VAL 73 Ca -0.12 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 61.67 1wft s VAL 73 Cb -0.15 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.43 1wft s VAL 73 CO 0.05 0.55 0.67 0.42 0.00 0.00 0.00 175.10 176.80 1wft s THR 74 N -0.35 2.74 0.08 3.92 -4.23 -1.26 -0.22 115.64 116.31 1wft s THR 74 Ca 0.07 -0.91 -0.29 0.00 -1.18 0.00 0.00 61.69 59.38 1wft s THR 74 Cb -0.12 -2.83 -0.17 0.00 1.34 0.00 0.00 72.50 70.72 1wft s THR 74 CO 0.02 0.00 1.66 0.00 -0.54 0.00 0.00 174.62 175.76 1wft h ALA 75 N 0.38 -0.58 -0.81 3.99 0.00 -1.97 -1.70 119.26 118.57 1wft h ALA 75 Ca -0.38 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.50 1wft h ALA 75 Cb 1.28 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 19.21 1wft h ALA 75 CO 0.45 -0.83 -0.40 0.41 0.00 0.00 0.00 179.25 178.89 1wft n GLY 76 N -1.35 -1.88 0.23 0.00 0.00 -1.26 0.32 105.19 101.24 1wft n GLY 76 Ca -0.11 0.93 -0.11 0.00 0.00 0.00 0.00 46.02 46.74 1wft n GLY 76 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1wft h GLN 77 N 0.00 0.74 -0.82 1.61 4.20 -1.95 -3.06 115.11 115.83 1wft h GLN 77 Ca 0.20 -0.25 0.20 0.00 0.06 0.00 0.00 58.65 58.86 1wft h GLN 77 Cb 0.41 -0.06 -0.13 0.00 0.30 0.00 0.00 27.48 28.00 1wft h GLN 77 CO -0.78 0.84 0.22 -0.07 -0.67 0.00 0.00 178.83 178.37 1wft h LEU 78 N 0.56 0.04 -1.06 1.46 3.38 0.83 0.25 115.31 120.77 1wft h LEU 78 Ca 0.11 0.17 0.26 0.00 0.09 0.00 0.00 57.88 58.51 1wft h LEU 78 Cb 0.53 0.22 -0.12 0.00 0.09 0.00 0.00 40.66 41.37 1wft h LEU 78 CO 0.03 -0.08 0.61 0.00 0.09 0.00 0.00 178.44 179.08 1wft h ALA 79 N 1.70 1.90 0.00 1.53 0.00 -0.96 0.81 119.26 124.24 1wft h ALA 79 Ca 0.49 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.44 1wft h ALA 79 Cb 0.91 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1wft h ALA 79 CO -0.58 -0.39 -0.39 -0.91 0.00 0.00 0.00 179.25 176.98 1wft h ASN 80 N 0.51 0.00 -3.47 0.00 2.35 -0.63 -3.45 115.58 110.89 1wft h ASN 80 Ca 0.66 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.84 1wft h ASN 80 Cb 1.36 0.00 0.12 0.00 0.05 0.00 0.00 38.32 39.85 1wft h ASN 80 CO -0.47 0.39 0.51 0.00 -1.65 0.00 0.00 177.43 176.22 1wft n ALA 81 N -2.32 1.36 -2.57 -0.83 0.00 0.28 -2.10 120.51 114.33 1wft n ALA 81 Ca -0.00 0.31 -0.41 0.00 0.00 0.00 0.00 53.44 53.34 1wft n ALA 81 Cb 0.50 -2.27 -0.08 0.00 0.00 0.00 0.00 19.45 17.61 1wft n ALA 81 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1wft s HIS 82 N -1.15 3.20 -0.19 0.00 2.46 -0.26 -4.52 115.29 114.83 1wft s HIS 82 Ca 0.58 0.29 -0.16 0.00 0.47 0.00 0.00 55.06 56.24 1wft s HIS 82 Cb -0.53 -2.88 -0.04 0.00 -0.13 0.00 0.00 32.58 29.00 1wft s HIS 82 CO 0.60 -0.48 0.41 0.42 -2.47 0.00 0.00 174.74 173.22 1wft s ILE 83 N 2.38 5.20 -0.23 0.89 1.01 -1.26 -4.37 121.20 124.83 1wft s ILE 83 Ca 0.19 0.74 -0.24 0.00 0.00 0.00 0.00 60.65 61.35 1wft s ILE 83 Cb -0.15 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.57 1wft s ILE 83 CO 0.12 0.27 0.78 -0.62 0.00 0.00 0.00 174.94 175.49 1wft s ASP 84 N 0.95 6.80 -0.41 3.58 -1.08 -1.23 -4.94 116.67 120.34 1wft s ASP 84 Ca 0.20 0.99 0.04 0.00 -0.52 0.00 0.00 52.55 53.26 1wft s ASP 84 Cb -0.15 -2.41 0.46 0.00 -1.46 0.00 0.00 42.92 39.35 1wft s ASP 84 CO 0.08 -0.45 1.44 -1.22 0.52 0.00 0.00 175.17 175.54 1wft n TYR 85 N 5.73 2.90 -0.07 -5.34 4.01 -1.26 -3.71 117.16 119.42 1wft n TYR 85 Ca 0.04 -2.47 -0.05 0.00 -0.16 0.00 0.00 57.90 55.26 1wft n TYR 85 Cb 0.48 -0.67 -0.02 0.00 -0.31 0.00 0.00 39.34 38.82 1wft n TYR 85 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1wft h THR 86 N 1.84 0.12 0.00 -0.72 2.02 -2.01 -3.46 112.91 110.71 1wft h THR 86 Ca 0.44 -1.13 -0.13 0.00 0.77 0.00 0.00 66.41 66.35 1wft h THR 86 Cb 1.31 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 1wft h THR 86 CO 1.01 0.04 -1.47 -1.54 0.37 0.00 0.00 175.52 173.93 1wft n SER 87 N -4.64 1.87 -3.74 4.18 3.41 -1.26 -5.05 113.62 108.38 1wft n SER 87 Ca -0.08 0.04 -0.12 0.00 -0.26 0.00 0.00 58.87 58.45 1wft n SER 87 Cb 0.24 -0.20 -0.12 0.00 -0.26 0.00 0.00 64.21 63.87 1wft n SER 87 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1wft s ARG 88 N -2.16 0.25 -0.69 4.33 3.52 -1.26 -5.10 118.95 117.83 1wft s ARG 88 Ca -0.12 0.51 -0.26 0.00 -0.13 0.00 0.00 55.73 55.73 1wft s ARG 88 Cb 0.04 -0.04 -0.03 0.00 -1.56 0.00 0.00 34.95 33.36 1wft s ARG 88 CO 0.17 -0.13 1.88 -1.25 -0.81 0.00 0.00 175.30 175.16 1wft s PRO 89 N 0.98 2.61 0.04 5.12 0.04 -1.24 -4.63 135.00 137.91 1wft s PRO 89 Ca -0.07 0.36 -0.03 0.00 0.04 0.00 0.00 61.00 61.30 1wft s PRO 89 Cb -0.08 -4.57 -0.02 0.00 0.04 0.00 0.00 34.50 29.87 1wft s PRO 89 CO -0.07 -2.91 0.03 0.00 0.04 0.00 0.00 177.00 174.10 1wft s ALA 90 N 9.34 0.15 0.08 8.56 0.00 -1.24 -3.68 121.76 134.96 1wft s ALA 90 Ca 0.68 -0.76 -0.21 0.00 0.00 0.00 0.00 51.96 51.67 1wft s ALA 90 Cb -0.11 0.24 -0.07 0.00 0.00 0.00 0.00 23.12 23.19 1wft s ALA 90 CO 0.15 -0.31 0.61 0.42 0.00 0.00 0.00 175.76 176.63 1wft s ILE 91 N -2.80 4.70 -0.02 0.00 1.01 0.12 -3.51 121.20 120.70 1wft s ILE 91 Ca -0.03 1.31 -0.12 0.00 0.00 0.00 0.00 60.65 61.80 1wft s ILE 91 Cb -0.00 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 1wft s ILE 91 CO -0.06 0.53 0.34 -0.69 0.00 0.00 0.00 174.94 175.06 1wft s VAL 92 N -0.98 5.16 0.02 2.92 1.01 -1.26 -0.23 120.40 127.04 1wft s VAL 92 Ca 0.30 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1wft s VAL 92 Cb -0.20 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 1wft s VAL 92 CO 0.20 0.54 -0.03 -0.36 0.00 0.00 0.00 175.10 175.45 1wft s PHE 93 N -1.12 0.28 -0.03 5.22 0.08 -0.79 -3.76 117.98 117.86 1wft s PHE 93 Ca 0.23 -0.36 0.03 0.00 0.12 0.00 0.00 56.93 56.94 1wft s PHE 93 Cb -0.15 -0.19 0.00 0.00 -0.57 0.00 0.00 43.02 42.12 1wft s PHE 93 CO 0.12 -0.11 -0.10 1.03 -0.10 0.00 0.00 175.22 176.05 1wft s ARG 94 N -1.03 1.06 -0.00 0.44 0.52 -0.44 -2.35 118.95 117.15 1wft s ARG 94 Ca -0.10 -0.35 -0.01 0.00 -0.52 0.00 0.00 55.73 54.75 1wft s ARG 94 Cb -0.07 -0.98 -0.00 0.00 0.52 0.00 0.00 34.95 34.42 1wft s ARG 94 CO -0.00 0.13 0.02 0.42 0.02 0.00 0.00 175.30 175.89 1wft s ILE 95 N 0.16 0.03 0.31 1.52 1.01 -1.22 -0.58 121.20 122.43 1wft s ILE 95 Ca -0.03 -0.27 -0.10 0.00 0.00 0.00 0.00 60.65 60.25 1wft s ILE 95 Cb -0.09 -0.13 0.01 0.00 0.01 0.00 0.00 42.46 42.27 1wft s ILE 95 CO 0.01 -0.15 0.56 -0.94 0.00 0.00 0.00 174.94 174.41 1wft s SER 96 N -0.44 0.29 -0.06 3.58 1.04 -1.19 -2.94 113.70 113.97 1wft s SER 96 Ca -0.05 -1.16 0.03 0.00 0.48 0.00 0.00 55.95 55.25 1wft s SER 96 Cb -0.03 0.68 0.01 0.00 0.10 0.00 0.00 66.02 66.78 1wft s SER 96 CO -0.00 -1.33 -0.15 0.00 0.98 0.00 0.00 173.24 172.74 1wft s ALA 97 N -3.29 1.42 -0.13 5.32 0.00 -1.26 -3.54 121.76 120.28 1wft s ALA 97 Ca 0.23 -0.54 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 1wft s ALA 97 Cb -0.02 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 1wft s ALA 97 CO 0.14 0.17 -0.08 0.21 0.00 0.00 0.00 175.76 176.20 1wft s LYS 98 N 0.47 3.37 0.00 0.00 2.20 -1.25 -2.92 119.74 121.60 1wft s LYS 98 Ca -0.12 -0.60 0.00 0.00 -0.36 0.00 0.00 55.97 54.89 1wft s LYS 98 Cb -0.15 -2.73 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 1wft s LYS 98 CO 0.04 0.31 0.00 0.09 -0.36 0.00 0.00 175.35 175.43 1wft n ASN 99 N 3.27 0.00 0.09 1.43 3.02 -1.19 -3.07 115.26 118.82 1wft n ASN 99 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 1wft n ASN 99 Cb 0.53 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 1wft n ASN 99 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1wft n GLU 100 N -2.38 0.00 0.33 3.52 -0.58 -1.26 -4.22 120.64 116.05 1wft n GLU 100 Ca 0.00 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.59 1wft n GLU 100 Cb 0.00 -0.23 -0.07 0.00 -0.57 0.00 0.00 31.44 30.57 1wft n GLU 100 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1wft h LYS 101 N 0.00 -0.83 0.00 3.49 1.79 -2.01 -3.50 116.57 115.51 1wft h LYS 101 Ca 0.00 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1wft h LYS 101 Cb 0.04 0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1wft h LYS 101 CO 0.00 -0.52 0.00 0.41 -1.08 0.00 0.00 179.45 178.26 1wft n GLY 102 N -0.62 1.34 3.87 3.86 0.00 -1.26 -5.16 105.19 107.22 1wft n GLY 102 Ca -0.12 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 1wft n GLY 102 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wft s TYR 103 N -1.74 3.54 0.00 1.61 1.51 -1.26 -3.17 117.35 117.84 1wft s TYR 103 Ca 0.00 0.81 0.00 0.00 -1.01 0.00 0.00 57.07 56.87 1wft s TYR 103 Cb 0.00 -2.19 0.00 0.00 -0.11 0.00 0.00 41.96 39.66 1wft s TYR 103 CO 0.00 0.45 0.00 0.41 -1.11 0.00 0.00 175.55 175.30 1wft n GLY 104 N 0.60 0.92 3.73 0.71 0.00 -1.15 -4.42 105.19 105.58 1wft n GLY 104 Ca -0.05 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 1wft n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wft s PRO 105 N 1.11 4.38 -0.26 1.61 0.04 -1.26 -4.86 135.00 135.76 1wft s PRO 105 Ca 0.00 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 62.98 1wft s PRO 105 Cb 0.00 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.28 1wft s PRO 105 CO 0.00 -0.27 0.18 0.00 0.04 0.00 0.00 177.00 176.94 1wft s ALA 106 N 0.27 3.57 0.09 8.56 0.00 -1.26 -4.51 121.76 128.49 1wft s ALA 106 Ca 0.58 -0.98 -0.24 0.00 0.00 0.00 0.00 51.96 51.31 1wft s ALA 106 Cb -0.36 -2.40 -0.07 0.00 0.00 0.00 0.00 23.12 20.29 1wft s ALA 106 CO 0.37 -0.36 0.75 0.99 0.00 0.00 0.00 175.76 177.50 1wft s THR 107 N 1.40 4.59 -0.25 0.00 2.01 -1.15 -4.92 115.64 117.32 1wft s THR 107 Ca 0.07 1.61 -0.05 0.00 0.31 0.00 0.00 61.69 63.64 1wft s THR 107 Cb -0.15 -4.10 -0.01 0.00 0.01 0.00 0.00 72.50 68.26 1wft s THR 107 CO 0.08 0.44 0.01 -1.58 -0.69 0.00 0.00 174.62 172.88 1wft s GLN 108 N -0.58 3.34 -0.00 4.92 0.74 -1.26 -3.43 119.66 123.38 1wft s GLN 108 Ca 0.36 -0.67 0.08 0.00 0.05 0.00 0.00 55.36 55.18 1wft s GLN 108 Cb -0.21 -3.17 -0.02 0.00 1.10 0.00 0.00 33.01 30.70 1wft s GLN 108 CO 0.24 -0.27 -0.25 -1.50 -0.55 0.00 0.00 175.29 172.96 1wft s ILE 109 N 1.51 2.16 -0.59 -2.34 2.07 -0.99 -4.98 121.20 118.04 1wft s ILE 109 Ca 0.05 -1.17 -0.06 0.00 -1.41 0.00 0.00 60.65 58.06 1wft s ILE 109 Cb -0.15 -1.78 0.15 0.00 0.13 0.00 0.00 42.46 40.81 1wft s ILE 109 CO -0.00 0.51 0.43 -0.13 -1.91 0.00 0.00 174.94 173.84 1wft s ARG 110 N -0.83 2.61 -0.22 3.50 0.52 -1.26 -1.88 118.95 121.40 1wft s ARG 110 Ca 0.11 -2.25 -0.29 0.00 -0.52 0.00 0.00 55.73 52.77 1wft s ARG 110 Cb -0.10 -3.85 -0.01 0.00 0.52 0.00 0.00 34.95 31.51 1wft s ARG 110 CO 0.00 -1.18 1.27 -0.46 0.02 0.00 0.00 175.30 174.95 1wft s TRP 111 N 0.45 2.81 -0.14 -0.53 -0.00 0.68 -4.77 118.94 117.45 1wft s TRP 111 Ca 0.13 0.98 -0.29 0.00 -0.00 0.00 0.00 56.10 56.92 1wft s TRP 111 Cb -0.20 -3.64 -0.02 0.00 -0.00 0.00 0.00 33.47 29.61 1wft s TRP 111 CO -0.04 -1.64 1.27 -0.51 -0.00 0.00 0.00 176.95 176.03 1wft s LEU 112 N 3.82 4.21 -0.08 5.86 1.43 -1.26 0.14 118.68 132.79 1wft s LEU 112 Ca 0.55 1.74 -0.33 0.00 -1.03 0.00 0.00 54.13 55.05 1wft s LEU 112 Cb -0.19 -3.54 -0.11 0.00 0.03 0.00 0.00 46.19 42.37 1wft s LEU 112 CO 0.17 -0.73 1.93 0.00 0.23 0.00 0.00 176.35 177.94 1wft n GLN 113 N 6.35 2.27 -1.58 1.70 6.02 -1.24 -4.95 117.38 125.94 1wft n GLN 113 Ca 0.13 0.82 -0.29 0.00 -0.01 0.00 0.00 57.00 57.66 1wft n GLN 113 Cb 0.45 -2.73 0.15 0.00 1.02 0.00 0.00 30.24 29.12 1wft n GLN 113 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1wft s GLY 114 N 4.44 1.60 -0.57 1.08 0.00 -1.26 -5.04 107.32 107.57 1wft s GLY 114 Ca 0.93 -0.66 0.04 0.00 0.00 0.00 0.00 44.72 45.03 1wft s GLY 114 CO 0.49 -0.05 0.38 0.54 0.00 0.00 0.00 173.10 174.46 1wft s ASN 115 N -4.18 3.84 -0.16 1.64 4.22 -1.26 -5.07 114.94 113.98 1wft s ASN 115 Ca 0.65 -3.33 -0.28 0.00 -2.14 0.00 0.00 52.86 47.76 1wft s ASN 115 Cb -0.13 -1.27 0.09 0.00 1.28 0.00 0.00 41.25 41.22 1wft s ASN 115 CO 0.53 -0.16 0.80 -0.94 -2.04 0.00 0.00 177.10 175.29 1wft s SER 116 N -0.63 -0.60 -0.23 3.54 1.04 -1.26 -5.15 113.70 110.42 1wft s SER 116 Ca 0.24 0.88 -0.04 0.00 0.48 0.00 0.00 55.95 57.51 1wft s SER 116 Cb -0.10 0.79 0.09 0.00 0.10 0.00 0.00 66.02 66.90 1wft s SER 116 CO -0.12 -0.40 0.17 -0.54 0.98 0.00 0.00 173.24 173.34 1wft s LYS 117 N -0.56 0.17 0.09 4.02 1.02 -1.26 -5.14 119.74 118.08 1wft s LYS 117 Ca -0.04 -0.11 0.03 0.00 0.02 0.00 0.00 55.97 55.86 1wft s LYS 117 Cb -0.02 -1.30 -0.04 0.00 -0.52 0.00 0.00 37.83 35.96 1wft s LYS 117 CO 0.04 -0.80 -0.08 0.45 -0.92 0.00 0.00 175.35 174.03 1wft s SER 118 N 2.22 1.22 0.00 2.83 0.15 -1.26 -5.12 113.70 113.75 1wft s SER 118 Ca 0.06 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 55.85 1wft s SER 118 Cb -0.16 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 1wft s SER 118 CO -0.20 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.50 1wft n GLY 119 N 0.40 0.05 3.63 9.45 0.00 -1.26 -4.79 105.19 112.68 1wft n GLY 119 Ca -0.15 0.61 -0.29 0.00 0.00 0.00 0.00 46.02 46.19 1wft n GLY 119 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wft s PRO 120 N 0.00 -0.39 -0.04 1.61 0.04 -1.26 -4.93 135.00 130.03 1wft s PRO 120 Ca 0.00 0.24 -0.30 0.00 0.04 0.00 0.00 61.00 60.98 1wft s PRO 120 Cb 0.00 -1.67 -0.06 0.00 0.04 0.00 0.00 34.50 32.81 1wft s PRO 120 CO 0.00 -3.22 1.68 0.45 0.04 0.00 0.00 177.00 175.95 1wft s SER 121 N -3.65 6.65 -0.12 6.66 0.15 -1.26 -4.96 113.70 117.18 1wft s SER 121 Ca 0.68 2.29 -0.30 0.00 0.70 0.00 0.00 55.95 59.32 1wft s SER 121 Cb -0.15 -2.53 0.11 0.00 -1.71 0.00 0.00 66.02 61.74 1wft s SER 121 CO 0.57 -0.93 0.90 -0.55 1.20 0.00 0.00 173.24 174.43 1wft s SER 122 N 3.41 -0.45 0.00 5.45 0.15 -1.26 -5.37 113.70 115.63 1wft s SER 122 Ca 0.75 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.85 1wft s SER 122 Cb -0.34 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 1wft s SER 122 CO 0.31 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 174.92