#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 3.31 -0.15 1.61 1.04 -1.26 -5.11 113.70 113.14 1wft s SER 2 Ca 0.00 -0.50 -0.07 0.00 0.48 0.00 0.00 55.95 55.85 1wft s SER 2 Cb 0.00 -1.44 0.06 0.00 0.10 0.00 0.00 66.02 64.74 1wft s SER 2 CO 0.00 0.16 0.35 -0.44 0.98 0.00 0.00 173.24 174.29 1wft s SER 3 N 0.32 -0.33 1.00 7.02 0.01 -1.26 -5.17 113.70 115.29 1wft s SER 3 Ca -0.17 0.76 -0.16 0.00 1.31 0.00 0.00 55.95 57.70 1wft s SER 3 Cb -0.17 0.71 0.20 0.00 0.21 0.00 0.00 66.02 66.96 1wft s SER 3 CO 0.08 -0.19 1.23 -0.83 0.41 0.00 0.00 173.24 173.93 1wft s GLY 4 N 1.56 1.68 -0.79 3.44 0.00 -1.26 -4.90 107.32 107.05 1wft s GLY 4 Ca -0.08 -0.97 -0.25 0.00 0.00 0.00 0.00 44.72 43.42 1wft s GLY 4 CO -0.11 -0.24 1.97 -0.56 0.00 0.00 0.00 173.10 174.16 1wft s SER 5 N -4.47 5.07 -0.21 1.64 0.01 -1.26 -4.88 113.70 109.59 1wft s SER 5 Ca 0.70 -0.25 -0.15 0.00 1.31 0.00 0.00 55.95 57.56 1wft s SER 5 Cb -0.08 -2.55 0.06 0.00 0.21 0.00 0.00 66.02 63.67 1wft s SER 5 CO 0.53 -2.71 0.54 -0.44 0.41 0.00 0.00 173.24 171.57 1wft s SER 6 N 8.40 -0.65 0.17 2.44 0.01 -1.26 -5.17 113.70 117.64 1wft s SER 6 Ca 0.72 1.14 -0.23 0.00 1.31 0.00 0.00 55.95 58.89 1wft s SER 6 Cb -0.09 1.08 0.08 0.00 0.21 0.00 0.00 66.02 67.29 1wft s SER 6 CO 0.07 -0.20 1.04 -0.83 0.41 0.00 0.00 173.24 173.73 1wft s GLY 7 N 1.00 0.07 0.45 3.44 0.00 -1.26 -4.94 107.32 106.09 1wft s GLY 7 Ca -0.06 -0.27 0.30 0.00 0.00 0.00 0.00 44.72 44.70 1wft s GLY 7 CO -0.09 2.30 1.90 -0.56 0.00 0.00 0.00 173.10 176.65 1wft h PRO 8 N 2.00 0.00 0.00 2.90 0.13 -1.88 -3.47 132.00 131.69 1wft h PRO 8 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1wft h PRO 8 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1wft h PRO 8 CO 0.35 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.53 1wft n GLY 9 N -0.02 1.44 3.70 1.56 0.00 -1.26 -4.31 105.19 106.30 1wft n GLY 9 Ca 0.01 -2.05 -0.29 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.87 3.33 0.59 4.61 0.00 -1.26 -4.07 121.76 123.09 1wft s ALA 10 Ca 0.00 -1.16 -0.18 0.00 0.00 0.00 0.00 51.96 50.62 1wft s ALA 10 Cb 0.00 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 1wft s ALA 10 CO 0.00 0.64 1.12 -1.25 0.00 0.00 0.00 175.76 176.28 1wft s PRO 11 N -2.52 3.13 0.19 0.00 0.04 -1.26 -4.53 135.00 130.04 1wft s PRO 11 Ca 0.27 1.52 -0.01 0.00 0.04 0.00 0.00 61.00 62.82 1wft s PRO 11 Cb -0.11 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 1wft s PRO 11 CO 0.19 -1.01 0.10 -1.12 0.04 0.00 0.00 177.00 175.20 1wft s SER 12 N -2.10 0.38 -1.49 6.66 0.01 -1.23 -4.88 113.70 111.04 1wft s SER 12 Ca 0.70 -1.33 -0.10 0.00 1.31 0.00 0.00 55.95 56.54 1wft s SER 12 Cb -0.22 0.32 0.07 0.00 0.21 0.00 0.00 66.02 66.39 1wft s SER 12 CO 0.33 -0.78 0.84 0.41 0.41 0.00 0.00 173.24 174.45 1wft n THR 13 N -0.24 -2.57 -2.08 1.44 -1.04 -1.26 -2.41 114.28 106.12 1wft n THR 13 Ca -0.01 -0.17 -0.43 0.00 -2.04 0.00 0.00 64.05 61.41 1wft n THR 13 Cb 0.65 -2.90 -0.03 0.00 -1.82 0.00 0.00 70.33 66.24 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 -3.45 3.63 -0.15 12.58 1.01 -1.26 -4.39 120.40 128.37 1wft s VAL 14 Ca 0.46 0.70 -0.04 0.00 0.00 0.00 0.00 61.98 63.09 1wft s VAL 14 Cb -0.23 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1wft s VAL 14 CO 0.84 -0.32 -0.03 -0.13 0.00 0.00 0.00 175.10 175.46 1wft s ARG 15 N 4.91 3.66 -0.10 2.72 1.81 -0.12 -4.96 118.95 126.87 1wft s ARG 15 Ca 0.74 -0.50 0.04 0.00 -1.72 0.00 0.00 55.73 54.28 1wft s ARG 15 Cb -0.24 -2.93 0.00 0.00 -0.45 0.00 0.00 34.95 31.33 1wft s ARG 15 CO 0.31 0.27 -0.22 0.42 -0.68 0.00 0.00 175.30 175.40 1wft s ILE 16 N 0.28 1.91 0.39 1.52 1.01 -1.26 -1.16 121.20 123.89 1wft s ILE 16 Ca -0.03 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 59.73 1wft s ILE 16 Cb -0.14 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 1wft s ILE 16 CO 0.03 0.53 0.07 -0.44 0.00 0.00 0.00 174.94 175.12 1wft s SER 17 N 0.45 2.94 -0.10 3.58 0.01 -0.62 -5.02 113.70 114.93 1wft s SER 17 Ca -0.17 -1.52 -0.21 0.00 1.31 0.00 0.00 55.95 55.36 1wft s SER 17 Cb -0.17 0.18 -0.04 0.00 0.21 0.00 0.00 66.02 66.20 1wft s SER 17 CO 0.07 -0.74 0.60 -0.75 0.41 0.00 0.00 173.24 172.83 1wft s LYS 18 N -3.81 4.38 0.18 12.44 2.47 -1.26 -1.20 119.74 132.94 1wft s LYS 18 Ca 0.27 0.68 0.03 0.00 -1.56 0.00 0.00 55.97 55.38 1wft s LYS 18 Cb 0.06 -3.45 -0.03 0.00 -1.46 0.00 0.00 37.83 32.94 1wft s LYS 18 CO 0.13 0.08 0.32 1.21 0.16 0.00 0.00 175.35 177.25 1wft s ASN 19 N 0.76 6.34 0.25 1.43 2.47 0.18 -4.69 114.94 121.68 1wft s ASN 19 Ca 0.32 0.19 -0.04 0.00 0.42 0.00 0.00 52.86 53.75 1wft s ASN 19 Cb -0.16 -1.92 0.29 0.00 -1.45 0.00 0.00 41.25 38.01 1wft s ASN 19 CO 0.14 0.00 1.78 0.58 -3.72 0.00 0.00 177.10 175.88 1wft h VAL 20 N 1.50 1.24 -0.50 -5.21 2.07 -1.97 -2.81 116.25 110.57 1wft h VAL 20 Ca -0.49 -0.90 -0.25 0.00 0.82 0.00 0.00 66.70 65.88 1wft h VAL 20 Cb 1.20 0.64 -0.15 0.00 -1.52 0.00 0.00 31.29 31.46 1wft h VAL 20 CO 0.67 0.34 0.09 0.47 0.02 0.00 0.00 177.57 179.15 1wft n ASP 21 N -4.25 2.85 0.00 0.57 8.00 -1.26 -5.04 116.55 117.42 1wft n ASP 21 Ca 0.04 -3.70 0.00 0.00 0.71 0.00 0.00 54.79 51.84 1wft n ASP 21 Cb 0.25 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 1wft n ASP 21 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wft n GLY 22 N -1.08 0.36 3.52 0.44 0.00 -1.06 -4.54 105.19 102.82 1wft n GLY 22 Ca 0.39 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.35 3.19 -0.41 -0.61 1.01 -0.78 0.47 121.20 121.73 1wft s ILE 23 Ca 0.00 -0.98 -0.06 0.00 0.00 0.00 0.00 60.65 59.61 1wft s ILE 23 Cb 0.00 -2.36 0.09 0.00 0.01 0.00 0.00 42.46 40.20 1wft s ILE 23 CO 0.00 0.37 0.22 -2.28 0.00 0.00 0.00 174.94 173.25 1wft s HIS 24 N -0.95 3.44 0.11 3.97 2.46 -0.34 -1.13 115.29 122.85 1wft s HIS 24 Ca 0.16 -1.97 -0.22 0.00 0.47 0.00 0.00 55.06 53.49 1wft s HIS 24 Cb -0.11 -3.04 -0.07 0.00 -0.13 0.00 0.00 32.58 29.23 1wft s HIS 24 CO 0.06 -0.91 0.67 -1.17 -2.47 0.00 0.00 174.74 170.91 1wft s LEU 25 N 1.28 4.55 -0.00 8.88 2.96 0.54 -1.59 118.68 135.29 1wft s LEU 25 Ca 0.04 1.43 -0.08 0.00 -0.22 0.00 0.00 54.13 55.30 1wft s LEU 25 Cb -0.23 -3.08 0.00 0.00 0.50 0.00 0.00 46.19 43.39 1wft s LEU 25 CO -0.01 0.23 0.16 -0.44 -1.32 0.00 0.00 176.35 174.96 1wft s SER 26 N -1.03 -0.01 0.34 3.68 0.01 -0.31 -1.04 113.70 115.35 1wft s SER 26 Ca 0.32 -0.15 -0.13 0.00 1.31 0.00 0.00 55.95 57.30 1wft s SER 26 Cb -0.21 0.22 0.03 0.00 0.21 0.00 0.00 66.02 66.28 1wft s SER 26 CO 0.22 -0.36 0.67 -1.66 0.41 0.00 0.00 173.24 172.52 1wft s TRP 27 N -1.31 0.32 0.16 2.43 -2.14 -0.91 -0.94 118.94 116.55 1wft s TRP 27 Ca -0.14 -0.83 0.08 0.00 2.66 0.00 0.00 56.10 57.87 1wft s TRP 27 Cb -0.07 0.53 -0.04 0.00 -3.10 0.00 0.00 33.47 30.79 1wft s TRP 27 CO 0.02 -1.36 -0.08 -1.21 -2.66 0.00 0.00 176.95 171.66 1wft s GLU 28 N -2.91 2.12 0.84 3.25 0.41 -1.01 -4.79 118.70 116.61 1wft s GLU 28 Ca 0.19 -1.18 -0.11 0.00 -0.41 0.00 0.00 54.97 53.46 1wft s GLU 28 Cb -0.04 -2.22 0.10 0.00 -1.78 0.00 0.00 34.13 30.19 1wft s GLU 28 CO 0.13 0.46 1.09 -1.25 -0.49 0.00 0.00 175.26 175.19 1wft s PRO 29 N -2.68 1.68 0.46 0.39 0.04 -1.26 -3.57 135.00 130.05 1wft s PRO 29 Ca 0.24 0.97 -0.23 0.00 0.04 0.00 0.00 61.00 62.03 1wft s PRO 29 Cb -0.09 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.53 1wft s PRO 29 CO 0.15 -1.99 1.16 -1.25 0.04 0.00 0.00 177.00 175.11 1wft s PRO 30 N -4.92 3.74 -0.51 0.56 0.04 -1.26 -4.64 135.00 128.01 1wft s PRO 30 Ca 0.62 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.43 1wft s PRO 30 Cb -0.18 -2.38 0.46 0.00 0.04 0.00 0.00 34.50 32.44 1wft s PRO 30 CO 0.57 -0.57 1.94 -2.37 0.04 0.00 0.00 177.00 176.61 1wft n THR 31 N -0.53 3.23 -3.85 1.26 5.66 -1.26 -4.95 114.28 113.84 1wft n THR 31 Ca 0.07 -2.25 -0.29 0.00 -3.05 0.00 0.00 64.05 58.53 1wft n THR 31 Cb 0.48 -0.95 -0.04 0.00 -1.55 0.00 0.00 70.33 68.28 1wft n THR 31 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1wft s SER 32 N -1.20 6.38 0.00 1.09 0.01 -1.26 -4.97 113.70 113.75 1wft s SER 32 Ca 0.54 0.32 0.03 0.00 1.31 0.00 0.00 55.95 58.15 1wft s SER 32 Cb 0.43 -1.98 0.17 0.00 0.21 0.00 0.00 66.02 64.86 1wft s SER 32 CO 0.03 0.09 0.65 -0.81 0.41 0.00 0.00 173.24 173.61 1wft n PRO 33 N -0.08 0.48 -1.44 12.44 -0.04 -1.26 -4.82 135.00 140.28 1wft n PRO 33 Ca -0.05 0.00 -0.49 0.00 -0.04 0.00 0.00 63.50 62.92 1wft n PRO 33 Cb 0.52 -1.09 -0.08 0.00 -0.04 0.00 0.00 33.50 32.81 1wft n PRO 33 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wft n SER 34 N -0.59 1.85 0.00 3.54 7.64 -1.26 -4.87 113.62 119.93 1wft n SER 34 Ca 0.02 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.22 1wft n SER 34 Cb 0.01 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 61.98 1wft n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wft n GLY 35 N 6.58 -3.47 3.89 0.23 0.00 -1.26 -4.63 105.19 106.52 1wft n GLY 35 Ca 0.44 0.60 -0.30 0.00 0.00 0.00 0.00 46.02 46.76 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 -2.77 6.51 -0.18 1.61 -0.87 -1.26 -5.09 114.94 112.89 1wft s ASN 36 Ca 0.00 0.85 -0.03 0.00 -1.57 0.00 0.00 52.86 52.11 1wft s ASN 36 Cb 0.00 -2.20 0.06 0.00 -0.02 0.00 0.00 41.25 39.09 1wft s ASN 36 CO 0.00 -0.20 0.03 -0.63 -2.57 0.00 0.00 177.10 173.74 1wft s ILE 37 N -2.06 0.50 0.77 0.60 -1.09 -1.26 -4.74 121.20 113.91 1wft s ILE 37 Ca 0.46 -0.50 -0.11 0.00 -2.23 0.00 0.00 60.65 58.28 1wft s ILE 37 Cb -0.11 -0.98 0.05 0.00 -1.58 0.00 0.00 42.46 39.84 1wft s ILE 37 CO 0.28 -0.17 1.09 -0.76 -1.23 0.00 0.00 174.94 174.14 1wft s LEU 38 N 1.87 3.01 0.55 2.97 1.43 0.11 -4.95 118.68 123.67 1wft s LEU 38 Ca -0.00 1.77 -0.18 0.00 -1.03 0.00 0.00 54.13 54.69 1wft s LEU 38 Cb -0.17 -4.49 -0.11 0.00 0.03 0.00 0.00 46.19 41.46 1wft s LEU 38 CO -0.08 -1.97 0.26 -0.62 0.23 0.00 0.00 176.35 174.17 1wft n GLU 39 N -3.48 0.30 -2.86 1.70 1.02 -1.26 -4.10 120.64 111.96 1wft n GLU 39 Ca 0.09 0.12 -0.21 0.00 -0.02 0.00 0.00 57.16 57.14 1wft n GLU 39 Cb 0.53 -1.42 0.02 0.00 -0.02 0.00 0.00 31.44 30.55 1wft n GLU 39 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1wft s TYR 40 N -1.84 2.97 -0.15 -0.32 1.51 0.21 -4.01 117.35 115.72 1wft s TYR 40 Ca 0.64 -0.03 -0.09 0.00 -1.01 0.00 0.00 57.07 56.58 1wft s TYR 40 Cb -0.46 -2.52 0.05 0.00 -0.11 0.00 0.00 41.96 38.92 1wft s TYR 40 CO 0.59 -0.60 0.36 -1.12 -1.11 0.00 0.00 175.55 173.68 1wft s SER 41 N -4.34 -0.42 -0.05 2.29 0.01 -1.25 -2.98 113.70 106.96 1wft s SER 41 Ca 0.54 0.77 0.01 0.00 1.31 0.00 0.00 55.95 58.57 1wft s SER 41 Cb -0.10 0.68 -0.03 0.00 0.21 0.00 0.00 66.02 66.78 1wft s SER 41 CO 0.37 -0.17 -0.05 0.00 0.41 0.00 0.00 173.24 173.80 1wft s ALA 42 N 1.05 3.07 0.05 1.44 0.00 -1.14 -3.71 121.76 122.53 1wft s ALA 42 Ca -0.07 -0.91 0.09 0.00 0.00 0.00 0.00 51.96 51.07 1wft s ALA 42 Cb -0.07 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.76 1wft s ALA 42 CO -0.08 0.59 -0.24 0.71 0.00 0.00 0.00 175.76 176.73 1wft s TYR 43 N -0.89 2.38 -0.20 0.00 1.51 -0.69 -1.22 117.35 118.23 1wft s TYR 43 Ca 0.14 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 55.84 1wft s TYR 43 Cb -0.11 -1.40 0.03 0.00 -0.11 0.00 0.00 41.96 40.37 1wft s TYR 43 CO 0.04 0.17 -0.17 -1.17 -1.11 0.00 0.00 175.55 173.31 1wft s LEU 44 N -1.36 2.51 0.16 -1.29 2.96 0.30 -2.54 118.68 119.43 1wft s LEU 44 Ca 0.13 -0.84 -0.33 0.00 -0.22 0.00 0.00 54.13 52.87 1wft s LEU 44 Cb -0.10 -1.51 -0.16 0.00 0.50 0.00 0.00 46.19 44.92 1wft s LEU 44 CO 0.03 -0.05 1.07 0.00 -1.32 0.00 0.00 176.35 176.08 1wft n ALA 45 N 4.58 -1.30 -3.51 5.97 0.00 -1.24 -2.66 120.51 122.35 1wft n ALA 45 Ca -0.19 0.47 -0.24 0.00 0.00 0.00 0.00 53.44 53.48 1wft n ALA 45 Cb 0.48 -1.95 -0.17 0.00 0.00 0.00 0.00 19.45 17.81 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 -0.32 1.04 -1.00 0.00 -4.36 0.24 -1.74 121.20 115.06 1wft s ILE 46 Ca 0.73 -0.42 0.02 0.00 -0.26 0.00 0.00 60.65 60.73 1wft s ILE 46 Cb -0.90 -0.97 0.11 0.00 1.25 0.00 0.00 42.46 41.96 1wft s ILE 46 CO 0.54 0.34 0.71 -2.11 0.24 0.00 0.00 174.94 174.66 1wft n ARG 47 N 3.91 1.52 -0.90 0.37 -4.01 -1.22 -4.29 116.66 112.03 1wft n ARG 47 Ca -0.23 -0.43 -0.14 0.00 -1.04 0.00 0.00 57.85 56.01 1wft n ARG 47 Cb 0.51 -1.56 -0.00 0.00 -3.04 0.00 0.00 32.46 28.38 1wft n ARG 47 CO 0.00 0.00 0.00 0.25 -3.04 0.00 0.00 177.63 174.84 1wft n THR 48 N 0.06 2.70 -4.14 8.89 -2.24 -1.26 -4.85 114.28 113.44 1wft n THR 48 Ca 0.04 -1.58 -0.14 0.00 -2.27 0.00 0.00 64.05 60.09 1wft n THR 48 Cb 0.35 -1.47 -0.06 0.00 -2.10 0.00 0.00 70.33 67.05 1wft n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wft s ALA 49 N -1.15 0.95 -0.21 6.98 0.00 -1.26 -5.15 121.76 121.91 1wft s ALA 49 Ca 0.31 -1.59 -0.01 0.00 0.00 0.00 0.00 51.96 50.67 1wft s ALA 49 Cb 0.22 1.27 0.06 0.00 0.00 0.00 0.00 23.12 24.66 1wft s ALA 49 CO -0.04 -0.73 0.01 -0.65 0.00 0.00 0.00 175.76 174.35 1wft s GLN 50 N -3.53 1.01 -0.27 0.00 -0.21 -1.26 -5.09 119.66 110.31 1wft s GLN 50 Ca 0.33 -0.65 -0.02 0.00 0.02 0.00 0.00 55.36 55.04 1wft s GLN 50 Cb 0.02 -2.29 0.09 0.00 1.00 0.00 0.00 33.01 31.83 1wft s GLN 50 CO 0.18 -0.64 0.09 -1.64 -2.12 0.00 0.00 175.29 171.17 1wft s MET 51 N 1.68 0.55 -0.19 2.91 -1.94 -1.26 -5.00 119.30 116.05 1wft s MET 51 Ca -0.02 -0.75 -0.18 0.00 -1.71 0.00 0.00 55.69 53.03 1wft s MET 51 Cb -0.18 -1.80 -0.06 0.00 2.01 0.00 0.00 34.83 34.80 1wft s MET 51 CO -0.08 -0.91 -0.35 0.94 -0.01 0.00 0.00 175.02 174.62 1wft n GLN 52 N 5.01 0.53 -3.00 2.03 7.27 -1.26 -4.76 117.38 123.20 1wft n GLN 52 Ca -0.05 0.21 -0.44 0.00 0.07 0.00 0.00 57.00 56.79 1wft n GLN 52 Cb 0.43 -1.43 -0.00 0.00 2.41 0.00 0.00 30.24 31.65 1wft n GLN 52 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1wft s ASP 53 N -6.02 7.03 -0.10 1.69 1.01 -1.26 -4.92 116.67 114.10 1wft s ASP 53 Ca -0.30 -2.93 -0.31 0.00 0.71 0.00 0.00 52.55 49.73 1wft s ASP 53 Cb 0.05 -2.37 0.12 0.00 1.01 0.00 0.00 42.92 41.72 1wft s ASP 53 CO 0.43 -0.73 1.02 0.20 0.21 0.00 0.00 175.17 176.30 1wft s ASN 54 N 2.75 -0.28 0.79 0.27 0.01 -1.26 -5.17 114.94 112.04 1wft s ASN 54 Ca 0.39 0.06 -0.11 0.00 -0.71 0.00 0.00 52.86 52.50 1wft s ASN 54 Cb -0.04 0.29 0.07 0.00 0.41 0.00 0.00 41.25 41.97 1wft s ASN 54 CO -0.02 -0.44 1.09 -2.16 -1.51 0.00 0.00 177.10 174.06 1wft s PRO 55 N -2.53 2.11 -0.36 -0.60 0.04 -1.26 -4.86 135.00 127.53 1wft s PRO 55 Ca 0.05 1.12 -0.35 0.00 0.04 0.00 0.00 61.00 61.87 1wft s PRO 55 Cb -0.01 -1.88 -0.11 0.00 0.04 0.00 0.00 34.50 32.53 1wft s PRO 55 CO -0.06 -1.74 2.20 0.45 0.04 0.00 0.00 177.00 177.89 1wft n SER 56 N -3.58 2.11 -3.96 6.66 2.88 -1.26 -4.89 113.62 111.59 1wft n SER 56 Ca 0.09 0.39 -0.09 0.00 -1.33 0.00 0.00 58.87 57.93 1wft n SER 56 Cb 0.53 -1.26 -0.06 0.00 -0.75 0.00 0.00 64.21 62.67 1wft n SER 56 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1wft s GLN 57 N 6.28 1.43 -0.11 -1.46 0.74 -1.26 -5.17 119.66 120.11 1wft s GLN 57 Ca 1.10 -1.18 -0.05 0.00 0.05 0.00 0.00 55.36 55.27 1wft s GLN 57 Cb -0.85 0.45 0.05 0.00 1.10 0.00 0.00 33.01 33.76 1wft s GLN 57 CO 0.49 -0.58 0.24 -0.51 -0.55 0.00 0.00 175.29 174.37 1wft s LEU 58 N -2.99 0.18 -0.47 3.68 1.43 -1.26 -5.11 118.68 114.14 1wft s LEU 58 Ca 0.20 0.51 -0.28 0.00 -1.03 0.00 0.00 54.13 53.53 1wft s LEU 58 Cb 0.00 0.66 0.00 0.00 0.03 0.00 0.00 46.19 46.89 1wft s LEU 58 CO 0.05 -0.19 1.51 -0.69 0.23 0.00 0.00 176.35 177.26 1wft s VAL 59 N 1.68 3.74 -0.18 -1.59 1.01 -1.26 -4.91 120.40 118.89 1wft s VAL 59 Ca -0.05 0.69 -0.12 0.00 0.00 0.00 0.00 61.98 62.50 1wft s VAL 59 Cb -0.11 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 1wft s VAL 59 CO -0.08 -0.87 0.23 -0.36 0.00 0.00 0.00 175.10 174.02 1wft s PHE 60 N 6.24 3.43 -0.06 5.22 0.08 -1.26 -0.59 117.98 131.03 1wft s PHE 60 Ca 0.61 0.48 0.01 0.00 0.12 0.00 0.00 56.93 58.15 1wft s PHE 60 Cb -0.14 -2.29 -0.03 0.00 -0.57 0.00 0.00 43.02 39.99 1wft s PHE 60 CO 0.29 0.22 -0.05 0.00 -0.10 0.00 0.00 175.22 175.58 1wft s MET 61 N 0.54 2.77 -0.04 0.44 0.23 -1.09 -4.74 119.30 117.41 1wft s MET 61 Ca 0.13 -0.55 -0.30 0.00 -1.03 0.00 0.00 55.69 53.95 1wft s MET 61 Cb -0.12 -2.62 -0.07 0.00 -1.53 0.00 0.00 34.83 30.49 1wft s MET 61 CO 0.02 0.66 1.81 0.50 -2.03 0.00 0.00 175.02 175.99 1wft s ARG 62 N -0.93 4.09 -0.13 3.16 3.52 -1.26 -0.54 118.95 126.85 1wft s ARG 62 Ca 0.13 2.32 0.08 0.00 -0.13 0.00 0.00 55.73 58.14 1wft s ARG 62 Cb -0.11 -4.08 -0.14 0.00 -1.56 0.00 0.00 34.95 29.06 1wft s ARG 62 CO 0.03 -0.99 -0.00 0.44 -0.81 0.00 0.00 175.30 173.97 1wft n ILE 63 N 5.69 0.83 -5.09 4.11 -5.35 -0.36 -4.94 119.36 114.25 1wft n ILE 63 Ca 0.19 -0.46 -0.32 0.00 -0.27 0.00 0.00 62.75 61.89 1wft n ILE 63 Cb 0.42 -0.77 -0.16 0.00 -1.74 0.00 0.00 39.64 37.40 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 -2.29 2.60 -0.42 4.28 5.04 -1.21 -5.04 117.35 120.31 1wft s TYR 64 Ca -0.09 -0.77 0.02 0.00 -2.44 0.00 0.00 57.07 53.79 1wft s TYR 64 Cb 0.04 -1.71 0.12 0.00 0.35 0.00 0.00 41.96 40.76 1wft s TYR 64 CO 0.45 -0.25 0.18 0.00 -1.34 0.00 0.00 175.55 174.59 1wft n GLY 66 N 3.79 1.47 0.07 0.00 0.00 -1.16 -5.06 105.19 104.29 1wft n GLY 66 Ca 0.05 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 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 2.77 -4.42 0.99 -0.00 -1.26 -0.62 117.00 114.46 1wft n LEU 67 Ca 0.00 -0.07 -0.47 0.00 -0.00 0.00 0.00 56.01 55.46 1wft n LEU 67 Cb 0.00 -0.45 -0.03 0.00 -0.00 0.00 0.00 43.42 42.94 1wft n LEU 67 CO 0.00 0.71 0.06 1.17 -0.00 0.00 0.00 177.39 179.33 1wft n LYS 68 N -2.89 0.17 -0.64 1.47 3.00 -1.26 -4.60 118.16 113.41 1wft n LYS 68 Ca -0.25 0.06 -0.09 0.00 -0.00 0.00 0.00 58.31 58.03 1wft n LYS 68 Cb 0.78 -1.11 0.03 0.00 0.00 0.00 0.00 35.03 34.73 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 0.01 2.26 -3.55 3.15 -2.24 -1.26 -4.72 114.28 107.93 1wft n THR 69 Ca 0.17 -1.03 -0.01 0.00 -2.27 0.00 0.00 64.05 60.91 1wft n THR 69 Cb 0.26 -1.28 -0.05 0.00 -2.10 0.00 0.00 70.33 67.16 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 0.79 -0.66 0.24 3.42 1.04 -1.26 -2.13 113.70 115.14 1wft s SER 70 Ca 0.18 0.97 0.03 0.00 0.48 0.00 0.00 55.95 57.61 1wft s SER 70 Cb 0.14 1.55 -0.05 0.00 0.10 0.00 0.00 66.02 67.76 1wft s SER 70 CO 0.01 -0.14 0.01 0.00 0.98 0.00 0.00 173.24 174.09 1wft s THR 72 N -3.43 2.01 -0.18 0.00 2.01 -1.26 -0.34 115.64 114.45 1wft s THR 72 Ca 0.30 -0.98 -0.08 0.00 0.31 0.00 0.00 61.69 61.24 1wft s THR 72 Cb 0.06 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 1wft s THR 72 CO 0.10 0.55 0.07 -0.69 -0.69 0.00 0.00 174.62 173.96 1wft s VAL 73 N 0.46 4.89 0.37 3.82 1.01 -0.28 -4.96 120.40 125.71 1wft s VAL 73 Ca -0.16 -0.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.74 1wft s VAL 73 Cb -0.17 -3.20 -0.06 0.00 0.00 0.00 0.00 36.38 32.95 1wft s VAL 73 CO 0.06 0.47 0.69 0.42 0.00 0.00 0.00 175.10 176.75 1wft s THR 74 N 0.26 4.88 0.15 3.92 -4.23 -1.26 -1.86 115.64 117.50 1wft s THR 74 Ca 0.04 0.37 -0.20 0.00 -1.18 0.00 0.00 61.69 60.72 1wft s THR 74 Cb -0.12 -3.75 0.03 0.00 1.34 0.00 0.00 72.50 70.00 1wft s THR 74 CO -0.00 -0.49 1.66 0.00 -0.54 0.00 0.00 174.62 175.26 1wft h ALA 75 N 1.29 0.07 -0.87 3.99 0.00 -1.98 -2.21 119.26 119.55 1wft h ALA 75 Ca -0.47 0.10 0.18 0.00 0.00 0.00 0.00 54.91 54.72 1wft h ALA 75 Cb 1.19 0.33 -0.17 0.00 0.00 0.00 0.00 17.79 19.14 1wft h ALA 75 CO 0.64 -0.54 -0.19 0.41 0.00 0.00 0.00 179.25 179.57 1wft n GLY 76 N -1.30 -1.43 0.18 0.00 0.00 -1.26 0.47 105.19 101.85 1wft n GLY 76 Ca -0.01 0.92 -0.14 0.00 0.00 0.00 0.00 46.02 46.80 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 0.56 -0.91 1.61 4.20 -1.82 -3.19 115.11 115.56 1wft h GLN 77 Ca 0.43 -0.35 0.25 0.00 0.06 0.00 0.00 58.65 59.05 1wft h GLN 77 Cb 0.69 0.04 -0.14 0.00 0.30 0.00 0.00 27.48 28.37 1wft h GLN 77 CO -0.89 0.95 0.34 -0.07 -0.67 0.00 0.00 178.83 178.49 1wft h LEU 78 N 0.23 0.17 -0.89 1.46 3.38 0.60 0.38 115.31 120.64 1wft h LEU 78 Ca 0.01 0.19 0.17 0.00 0.09 0.00 0.00 57.88 58.35 1wft h LEU 78 Cb 0.91 0.22 -0.10 0.00 0.09 0.00 0.00 40.66 41.78 1wft h LEU 78 CO 0.07 -0.13 0.46 0.00 0.09 0.00 0.00 178.44 178.94 1wft h ALA 79 N 1.79 1.40 0.00 1.53 0.00 -1.28 0.23 119.26 122.93 1wft h ALA 79 Ca 0.60 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.51 1wft h ALA 79 Cb 1.23 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1wft h ALA 79 CO -0.62 -0.14 -0.48 -0.91 0.00 0.00 0.00 179.25 177.10 1wft h ASN 80 N 0.60 0.00 -2.42 0.00 2.35 -0.40 -3.44 115.58 112.27 1wft h ASN 80 Ca 0.51 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.73 1wft h ASN 80 Cb 0.80 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.20 1wft h ASN 80 CO -0.40 0.48 1.19 0.00 -1.65 0.00 0.00 177.43 177.05 1wft s ALA 81 N -3.42 3.65 -0.06 -0.83 0.00 0.81 -3.42 121.76 118.48 1wft s ALA 81 Ca 0.01 1.39 -0.30 0.00 0.00 0.00 0.00 51.96 53.06 1wft s ALA 81 Cb 0.10 -3.82 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 1wft s ALA 81 CO 0.72 -1.45 1.41 -1.58 0.00 0.00 0.00 175.76 174.86 1wft s HIS 82 N 3.82 2.67 -0.50 0.00 2.46 -0.71 -4.90 115.29 118.12 1wft s HIS 82 Ca 0.86 0.75 -0.24 0.00 0.47 0.00 0.00 55.06 56.90 1wft s HIS 82 Cb -0.44 -3.66 0.03 0.00 -0.13 0.00 0.00 32.58 28.38 1wft s HIS 82 CO 0.40 -2.48 0.89 0.42 -2.47 0.00 0.00 174.74 171.49 1wft s ILE 83 N 3.09 4.49 -0.69 0.89 -1.09 -1.26 -4.31 121.20 122.31 1wft s ILE 83 Ca 0.63 0.40 -0.26 0.00 -2.23 0.00 0.00 60.65 59.19 1wft s ILE 83 Cb -0.29 -4.45 0.00 0.00 -1.58 0.00 0.00 42.46 36.14 1wft s ILE 83 CO 0.23 -0.94 1.61 -0.62 -1.23 0.00 0.00 174.94 174.00 1wft s ASP 84 N 2.52 5.67 -0.08 3.58 -1.08 -0.81 -4.81 116.67 121.66 1wft s ASP 84 Ca 0.31 -0.09 0.08 0.00 -0.52 0.00 0.00 52.55 52.33 1wft s ASP 84 Cb -0.12 -2.54 0.36 0.00 -1.46 0.00 0.00 42.92 39.15 1wft s ASP 84 CO 0.22 -2.14 1.13 -1.22 0.52 0.00 0.00 175.17 173.67 1wft n TYR 85 N 11.29 0.82 -1.13 -5.34 4.01 -1.26 -2.90 117.16 122.65 1wft n TYR 85 Ca 0.15 -0.30 -0.26 0.00 -0.16 0.00 0.00 57.90 57.32 1wft n TYR 85 Cb 0.51 -0.21 -0.12 0.00 -0.31 0.00 0.00 39.34 39.21 1wft n TYR 85 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1wft n THR 86 N 0.35 0.00 -2.00 -0.72 -2.24 -1.26 -3.14 114.28 105.28 1wft n THR 86 Ca 0.12 -0.01 -0.21 0.00 -2.27 0.00 0.00 64.05 61.69 1wft n THR 86 Cb 0.57 -1.96 -0.05 0.00 -2.10 0.00 0.00 70.33 66.79 1wft n THR 86 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1wft n SER 87 N 15.32 -5.71 -3.15 3.42 2.88 -1.26 -4.89 113.62 120.24 1wft n SER 87 Ca 0.43 0.25 0.06 0.00 -1.33 0.00 0.00 58.87 58.27 1wft n SER 87 Cb 0.45 -4.88 -0.01 0.00 -0.75 0.00 0.00 64.21 59.02 1wft n SER 87 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1wft s ARG 88 N -4.40 0.02 -0.95 -1.46 3.52 -1.19 -5.09 118.95 109.40 1wft s ARG 88 Ca 0.00 0.03 -0.24 0.00 -0.13 0.00 0.00 55.73 55.38 1wft s ARG 88 Cb 0.00 0.01 -0.05 0.00 -1.56 0.00 0.00 34.95 33.35 1wft s ARG 88 CO 0.00 -0.03 1.94 -1.25 -0.81 0.00 0.00 175.30 175.16 1wft s PRO 89 N 2.99 2.55 0.22 5.12 0.04 -1.26 -4.10 135.00 140.56 1wft s PRO 89 Ca 0.11 -0.42 -0.02 0.00 0.04 0.00 0.00 61.00 60.71 1wft s PRO 89 Cb -0.04 -5.09 -0.03 0.00 0.04 0.00 0.00 34.50 29.38 1wft s PRO 89 CO -0.14 -3.47 0.19 0.00 0.04 0.00 0.00 177.00 173.62 1wft s ALA 90 N 10.22 1.03 -0.19 8.56 0.00 -1.14 -2.56 121.76 137.67 1wft s ALA 90 Ca 0.70 -1.62 -0.08 0.00 0.00 0.00 0.00 51.96 50.96 1wft s ALA 90 Cb -0.06 1.35 -0.04 0.00 0.00 0.00 0.00 23.12 24.37 1wft s ALA 90 CO 0.01 -0.63 0.08 0.42 0.00 0.00 0.00 175.76 175.64 1wft s ILE 91 N -4.08 4.89 -0.47 0.00 1.01 -0.70 -1.92 121.20 119.93 1wft s ILE 91 Ca 0.37 0.00 -0.24 0.00 0.00 0.00 0.00 60.65 60.78 1wft s ILE 91 Cb 0.06 -3.21 0.03 0.00 0.01 0.00 0.00 42.46 39.34 1wft s ILE 91 CO 0.13 0.45 0.86 -0.69 0.00 0.00 0.00 174.94 175.68 1wft s VAL 92 N 0.43 4.55 0.32 2.92 1.01 -1.26 -1.40 120.40 126.97 1wft s VAL 92 Ca 0.04 0.53 0.07 0.00 0.00 0.00 0.00 61.98 62.62 1wft s VAL 92 Cb -0.12 -4.39 -0.03 0.00 0.00 0.00 0.00 36.38 31.84 1wft s VAL 92 CO 0.00 -0.82 0.30 -0.36 0.00 0.00 0.00 175.10 174.22 1wft s PHE 93 N 3.55 2.96 -0.08 5.22 0.08 -0.64 -3.71 117.98 125.36 1wft s PHE 93 Ca 0.33 -0.26 -0.03 0.00 0.12 0.00 0.00 56.93 57.08 1wft s PHE 93 Cb -0.11 -1.76 0.04 0.00 -0.57 0.00 0.00 43.02 40.62 1wft s PHE 93 CO 0.24 0.21 0.17 1.03 -0.10 0.00 0.00 175.22 176.78 1wft s ARG 94 N -3.99 0.11 -0.03 0.44 1.81 -1.05 -2.96 118.95 113.27 1wft s ARG 94 Ca 0.40 0.45 0.01 0.00 -1.72 0.00 0.00 55.73 54.88 1wft s ARG 94 Cb -0.06 -0.18 0.01 0.00 -0.45 0.00 0.00 34.95 34.27 1wft s ARG 94 CO 0.27 -0.19 -0.05 0.42 -0.68 0.00 0.00 175.30 175.06 1wft s ILE 95 N 1.43 0.56 0.11 1.52 1.01 -1.18 -1.70 121.20 122.96 1wft s ILE 95 Ca -0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 60.65 60.36 1wft s ILE 95 Cb -0.11 -0.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.77 1wft s ILE 95 CO -0.07 0.21 0.09 -0.55 0.00 0.00 0.00 174.94 174.62 1wft s SER 96 N 0.60 0.29 0.07 3.58 0.15 -1.24 -3.12 113.70 114.03 1wft s SER 96 Ca -0.08 -1.02 0.02 0.00 0.70 0.00 0.00 55.95 55.57 1wft s SER 96 Cb -0.11 0.30 -0.04 0.00 -1.71 0.00 0.00 66.02 64.46 1wft s SER 96 CO 0.00 -0.72 0.09 0.00 1.20 0.00 0.00 173.24 173.81 1wft s ALA 97 N -3.98 3.61 -0.11 5.45 0.00 -1.26 -3.75 121.76 121.72 1wft s ALA 97 Ca 0.16 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 1wft s ALA 97 Cb 0.07 -1.48 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 1wft s ALA 97 CO -0.03 0.75 -0.06 0.21 0.00 0.00 0.00 175.76 176.63 1wft s LYS 98 N -2.35 3.22 0.28 0.00 2.47 -1.26 -3.80 119.74 118.30 1wft s LYS 98 Ca 0.29 -0.54 0.06 0.00 -1.56 0.00 0.00 55.97 54.22 1wft s LYS 98 Cb -0.12 -2.74 -0.06 0.00 -1.46 0.00 0.00 37.83 33.45 1wft s LYS 98 CO 0.22 0.44 -0.04 1.21 0.16 0.00 0.00 175.35 177.34 1wft s ASN 99 N -0.20 2.66 0.32 1.43 3.84 -0.04 -0.71 114.94 122.23 1wft s ASN 99 Ca 0.03 -1.21 0.19 0.00 0.21 0.00 0.00 52.86 52.08 1wft s ASN 99 Cb -0.13 -0.15 1.13 0.00 -0.55 0.00 0.00 41.25 41.56 1wft s ASN 99 CO 0.03 -0.38 1.29 1.21 -2.79 0.00 0.00 177.10 176.45 1wft n GLU 100 N -0.58 -0.04 0.06 0.43 2.13 -1.26 -0.29 120.64 121.08 1wft n GLU 100 Ca -0.05 1.11 -0.04 0.00 0.66 0.00 0.00 57.16 58.83 1wft n GLU 100 Cb 0.64 -2.03 -0.02 0.00 0.27 0.00 0.00 31.44 30.30 1wft n GLU 100 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1wft h LYS 101 N 0.00 -0.24 0.00 5.31 1.79 -1.99 -3.51 116.57 117.93 1wft h LYS 101 Ca 0.70 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.19 1wft h LYS 101 Cb 1.96 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 32.66 1wft h LYS 101 CO -0.57 -0.13 0.00 0.41 -1.08 0.00 0.00 179.45 178.07 1wft n GLY 102 N 1.14 -0.68 3.88 3.86 0.00 0.60 -5.14 105.19 108.84 1wft n GLY 102 Ca -0.03 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 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 -4.00 3.50 0.00 1.61 2.02 -1.26 -0.86 117.35 118.36 1wft s TYR 103 Ca 0.00 0.78 0.00 0.00 -0.37 0.00 0.00 57.07 57.48 1wft s TYR 103 Cb 0.00 -2.17 0.00 0.00 -0.40 0.00 0.00 41.96 39.39 1wft s TYR 103 CO 0.00 0.41 0.00 0.41 -1.57 0.00 0.00 175.55 174.80 1wft n GLY 104 N 0.33 1.70 3.77 0.71 0.00 -1.25 -5.01 105.19 105.45 1wft n GLY 104 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 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 3.98 4.03 0.03 1.61 0.04 -1.26 -4.99 135.00 138.44 1wft s PRO 105 Ca 0.00 1.89 0.07 0.00 0.04 0.00 0.00 61.00 63.00 1wft s PRO 105 Cb 0.00 -2.68 -0.03 0.00 0.04 0.00 0.00 34.50 31.83 1wft s PRO 105 CO 0.00 -0.35 -0.19 0.00 0.04 0.00 0.00 177.00 176.49 1wft s ALA 106 N -1.39 2.53 -0.02 8.56 0.00 -1.26 -4.47 121.76 125.71 1wft s ALA 106 Ca 0.57 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 51.37 1wft s ALA 106 Cb -0.32 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 1wft s ALA 106 CO 0.40 0.56 -0.06 0.99 0.00 0.00 0.00 175.76 177.66 1wft s THR 107 N -0.88 3.75 0.11 0.00 2.01 -1.18 -4.99 115.64 114.45 1wft s THR 107 Ca 0.14 -0.66 0.06 0.00 0.31 0.00 0.00 61.69 61.54 1wft s THR 107 Cb -0.10 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 1wft s THR 107 CO 0.04 0.45 -0.02 -1.58 -0.69 0.00 0.00 174.62 172.82 1wft s GLN 108 N -1.26 2.42 -0.16 4.92 -0.44 -1.26 -3.10 119.66 120.78 1wft s GLN 108 Ca 0.16 -0.93 -0.10 0.00 -2.50 0.00 0.00 55.36 51.98 1wft s GLN 108 Cb -0.11 -2.45 0.05 0.00 -1.64 0.00 0.00 33.01 28.86 1wft s GLN 108 CO 0.06 0.52 0.41 -1.50 0.50 0.00 0.00 175.29 175.27 1wft s ILE 109 N -1.36 -0.02 -0.58 -2.34 2.07 -1.16 -4.98 121.20 112.84 1wft s ILE 109 Ca 0.25 0.07 -0.14 0.00 -1.41 0.00 0.00 60.65 59.42 1wft s ILE 109 Cb -0.11 -0.60 0.14 0.00 0.13 0.00 0.00 42.46 42.03 1wft s ILE 109 CO 0.17 0.03 0.51 -0.13 -1.91 0.00 0.00 174.94 173.61 1wft s ARG 110 N 1.09 2.98 -0.74 3.50 0.52 -1.25 -1.62 118.95 123.43 1wft s ARG 110 Ca -0.07 -1.87 -0.26 0.00 -0.52 0.00 0.00 55.73 53.01 1wft s ARG 110 Cb -0.07 -4.23 0.04 0.00 0.52 0.00 0.00 34.95 31.21 1wft s ARG 110 CO -0.09 -1.29 1.22 -0.46 0.02 0.00 0.00 175.30 174.70 1wft s TRP 111 N 1.27 2.39 0.18 -0.53 -0.00 -0.49 -4.70 118.94 117.05 1wft s TRP 111 Ca 0.06 -0.21 -0.33 0.00 -0.00 0.00 0.00 56.10 55.62 1wft s TRP 111 Cb -0.26 -4.56 -0.13 0.00 -0.00 0.00 0.00 33.47 28.52 1wft s TRP 111 CO 0.00 -1.98 1.64 1.28 -0.00 0.00 0.00 176.95 177.90 1wft n LEU 112 N 8.97 3.50 -2.40 5.86 4.77 -1.26 -1.72 117.00 134.71 1wft n LEU 112 Ca 0.03 1.07 -0.33 0.00 -0.03 0.00 0.00 56.01 56.76 1wft n LEU 112 Cb 0.48 -1.49 0.05 0.00 -2.33 0.00 0.00 43.42 40.13 1wft n LEU 112 CO 0.69 -0.08 1.11 0.00 -1.33 0.00 0.00 177.39 177.78 1wft n GLN 113 N 3.67 2.96 -0.11 3.23 10.64 -1.06 -4.72 117.38 131.99 1wft n GLN 113 Ca 0.17 -3.62 -0.09 0.00 -1.83 0.00 0.00 57.00 51.62 1wft n GLN 113 Cb 0.31 -2.28 -0.01 0.00 -0.86 0.00 0.00 30.24 27.40 1wft n GLN 113 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 1wft h GLY 114 N 2.30 0.51 -7.16 2.61 0.00 -1.91 -3.38 103.07 96.04 1wft h GLY 114 Ca 0.53 -0.23 -0.62 0.00 0.00 0.00 0.00 47.33 47.00 1wft h GLY 114 CO 1.33 0.22 0.50 -1.31 0.00 0.00 0.00 176.54 177.28 1wft s ASN 115 N -5.63 6.28 -0.32 0.19 0.01 -1.26 -4.98 114.94 109.23 1wft s ASN 115 Ca -0.13 -0.59 -0.01 0.00 -0.71 0.00 0.00 52.86 51.41 1wft s ASN 115 Cb 0.10 -2.42 0.11 0.00 0.41 0.00 0.00 41.25 39.45 1wft s ASN 115 CO 0.72 -1.25 0.13 -0.55 -1.51 0.00 0.00 177.10 174.65 1wft s SER 116 N 3.06 3.74 -0.90 -1.22 0.15 -1.26 -5.07 113.70 112.20 1wft s SER 116 Ca 0.26 -1.70 -0.15 0.00 0.70 0.00 0.00 55.95 55.07 1wft s SER 116 Cb -0.14 -0.69 0.20 0.00 -1.71 0.00 0.00 66.02 63.68 1wft s SER 116 CO 0.16 -0.40 0.92 -1.59 1.20 0.00 0.00 173.24 173.53 1wft s LYS 117 N 1.57 3.68 -0.32 5.44 -2.85 -1.26 -4.84 119.74 121.16 1wft s LYS 117 Ca 0.11 -2.36 0.07 0.00 -1.00 0.00 0.00 55.97 52.79 1wft s LYS 117 Cb -0.18 -4.59 0.45 0.00 -2.06 0.00 0.00 37.83 31.45 1wft s LYS 117 CO -0.23 -1.43 1.17 0.45 0.10 0.00 0.00 175.35 175.41 1wft n SER 118 N 4.59 4.84 0.00 0.03 2.88 -1.26 -5.08 113.62 119.62 1wft n SER 118 Ca 0.18 -3.72 0.00 0.00 -1.33 0.00 0.00 58.87 54.00 1wft n SER 118 Cb 0.47 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1wft n SER 118 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wft n GLY 119 N -0.66 -0.75 3.59 0.46 0.00 -1.26 -4.86 105.19 101.72 1wft n GLY 119 Ca 0.42 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.22 3.33 -0.17 1.61 0.04 -1.26 -4.94 135.00 130.38 1wft s PRO 120 Ca 0.00 1.25 -0.29 0.00 0.04 0.00 0.00 61.00 62.00 1wft s PRO 120 Cb 0.00 -4.18 0.11 0.00 0.04 0.00 0.00 34.50 30.47 1wft s PRO 120 CO 0.00 -1.87 0.92 0.45 0.04 0.00 0.00 177.00 176.54 1wft s SER 121 N 5.79 -0.48 1.11 6.66 0.15 -1.26 -5.17 113.70 120.50 1wft s SER 121 Ca 0.74 0.65 -0.18 0.00 0.70 0.00 0.00 55.95 57.86 1wft s SER 121 Cb -0.20 0.56 0.10 0.00 -1.71 0.00 0.00 66.02 64.77 1wft s SER 121 CO 0.32 -0.35 0.02 -1.20 1.20 0.00 0.00 173.24 173.23 1wft n SER 122 N 1.23 -2.36 -0.34 5.45 7.64 -1.26 -5.11 113.62 118.87 1wft n SER 122 Ca -0.13 -0.09 0.04 0.00 1.01 0.00 0.00 58.87 59.70 1wft n SER 122 Cb 0.57 -0.97 0.04 0.00 -1.01 0.00 0.00 64.21 62.83 1wft n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64