#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 2.66 -0.19 1.61 0.01 -1.26 -5.13 113.70 111.41 1wft s SER 2 Ca 0.00 -0.87 -0.05 0.00 1.31 0.00 0.00 55.95 56.34 1wft s SER 2 Cb 0.00 -0.15 0.07 0.00 0.21 0.00 0.00 66.02 66.14 1wft s SER 2 CO 0.00 -0.05 0.10 -0.55 0.41 0.00 0.00 173.24 173.16 1wft s SER 3 N -2.71 2.42 -0.19 2.44 0.15 -1.26 -5.13 113.70 109.43 1wft s SER 3 Ca 0.16 -0.67 -0.36 0.00 0.70 0.00 0.00 55.95 55.79 1wft s SER 3 Cb -0.05 -0.21 0.15 0.00 -1.71 0.00 0.00 66.02 64.20 1wft s SER 3 CO 0.07 -0.36 1.42 -0.83 1.20 0.00 0.00 173.24 174.73 1wft s GLY 4 N 2.15 -0.36 -0.42 9.45 0.00 -1.26 -5.04 107.32 111.84 1wft s GLY 4 Ca 0.03 1.40 0.04 0.00 0.00 0.00 0.00 44.72 46.20 1wft s GLY 4 CO -0.13 0.39 1.47 -1.14 0.00 0.00 0.00 173.10 173.69 1wft n SER 5 N -0.27 5.84 -4.05 1.64 3.41 -1.26 -4.92 113.62 114.00 1wft n SER 5 Ca -0.03 -3.76 -0.34 0.00 -0.26 0.00 0.00 58.87 54.48 1wft n SER 5 Cb 0.60 -0.56 -0.12 0.00 -0.26 0.00 0.00 64.21 63.88 1wft n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wft s SER 6 N -3.01 4.95 1.35 4.04 0.01 -1.26 -5.10 113.70 114.69 1wft s SER 6 Ca 0.55 -2.58 -0.21 0.00 1.31 0.00 0.00 55.95 55.02 1wft s SER 6 Cb 0.44 -1.76 0.34 0.00 0.21 0.00 0.00 66.02 65.25 1wft s SER 6 CO 0.01 -0.38 0.97 -0.83 0.41 0.00 0.00 173.24 173.42 1wft s GLY 7 N 0.77 1.45 0.00 3.44 0.00 -1.26 -4.87 107.32 106.86 1wft s GLY 7 Ca 0.14 -0.73 0.15 0.00 0.00 0.00 0.00 44.72 44.28 1wft s GLY 7 CO -0.04 0.22 1.43 -1.55 0.00 0.00 0.00 173.10 173.17 1wft n PRO 8 N -5.41 0.13 0.00 2.90 -0.04 -1.26 -4.83 135.00 126.49 1wft n PRO 8 Ca 0.11 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 1wft n PRO 8 Cb 0.59 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.02 -1.20 3.80 0.55 0.00 -1.26 -4.63 105.19 102.43 1wft n GLY 9 Ca 0.06 -1.30 -0.32 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.58 2.64 0.56 4.61 0.00 -1.26 -4.62 121.76 122.11 1wft s ALA 10 Ca 0.00 0.26 -0.19 0.00 0.00 0.00 0.00 51.96 52.03 1wft s ALA 10 Cb 0.00 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 1wft s ALA 10 CO 0.00 -1.12 1.13 -1.25 0.00 0.00 0.00 175.76 174.52 1wft s PRO 11 N -4.57 3.29 0.40 0.00 0.04 -1.26 -4.35 135.00 128.55 1wft s PRO 11 Ca 0.61 1.59 0.07 0.00 0.04 0.00 0.00 61.00 63.31 1wft s PRO 11 Cb -0.16 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.32 1wft s PRO 11 CO 0.47 -0.90 0.06 0.45 0.04 0.00 0.00 177.00 177.11 1wft s SER 12 N -1.87 4.06 -1.34 6.66 0.15 -0.83 -4.77 113.70 115.77 1wft s SER 12 Ca 0.72 -1.23 -0.04 0.00 0.70 0.00 0.00 55.95 56.10 1wft s SER 12 Cb -0.24 -0.43 -0.00 0.00 -1.71 0.00 0.00 66.02 63.64 1wft s SER 12 CO 0.29 -0.44 0.53 0.41 1.20 0.00 0.00 173.24 175.23 1wft n THR 13 N -1.04 -3.80 -3.06 6.45 -1.04 -1.26 -1.11 114.28 109.41 1wft n THR 13 Ca -0.04 -0.58 -0.43 0.00 -2.04 0.00 0.00 64.05 60.97 1wft n THR 13 Cb 0.66 -3.15 -0.06 0.00 -1.82 0.00 0.00 70.33 65.95 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 -3.82 4.76 0.19 12.58 1.01 -1.26 -4.09 120.40 129.77 1wft s VAL 14 Ca 0.08 0.08 0.10 0.00 0.00 0.00 0.00 61.98 62.25 1wft s VAL 14 Cb -0.03 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1wft s VAL 14 CO 0.87 -0.70 -0.21 0.00 0.00 0.00 0.00 175.10 175.06 1wft s ARG 15 N 2.98 1.43 -0.16 2.72 1.70 -1.06 -5.02 118.95 121.55 1wft s ARG 15 Ca 0.23 -1.51 0.01 0.00 -0.47 0.00 0.00 55.73 53.99 1wft s ARG 15 Cb -0.14 -1.60 0.02 0.00 -0.57 0.00 0.00 34.95 32.65 1wft s ARG 15 CO 0.18 0.33 -0.18 0.42 -1.08 0.00 0.00 175.30 174.98 1wft s ILE 16 N -1.98 1.84 -0.00 4.99 1.01 -1.26 -2.73 121.20 123.06 1wft s ILE 16 Ca 0.20 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 60.08 1wft s ILE 16 Cb -0.06 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 1wft s ILE 16 CO 0.09 0.50 -0.08 -0.55 0.00 0.00 0.00 174.94 174.90 1wft s SER 17 N 1.27 4.50 -0.34 3.58 0.15 -1.00 -4.98 113.70 116.88 1wft s SER 17 Ca 0.02 -0.17 -0.29 0.00 0.70 0.00 0.00 55.95 56.21 1wft s SER 17 Cb -0.13 -1.02 0.02 0.00 -1.71 0.00 0.00 66.02 63.18 1wft s SER 17 CO -0.10 0.29 1.07 -0.75 1.20 0.00 0.00 173.24 174.95 1wft s LYS 18 N -1.34 4.02 0.43 5.44 2.47 -1.26 -0.73 119.74 128.76 1wft s LYS 18 Ca 0.16 0.98 -0.00 0.00 -1.56 0.00 0.00 55.97 55.55 1wft s LYS 18 Cb -0.11 -3.76 -0.02 0.00 -1.46 0.00 0.00 37.83 32.49 1wft s LYS 18 CO 0.06 -0.95 0.65 1.21 0.16 0.00 0.00 175.35 176.49 1wft s ASN 19 N 1.75 6.02 0.30 1.43 3.84 -0.81 -4.91 114.94 122.55 1wft s ASN 19 Ca 0.45 0.42 0.25 0.00 0.21 0.00 0.00 52.86 54.19 1wft s ASN 19 Cb -0.12 -1.77 1.04 0.00 -0.55 0.00 0.00 41.25 39.86 1wft s ASN 19 CO 0.17 -0.57 1.75 -0.37 -2.79 0.00 0.00 177.10 175.29 1wft h VAL 20 N 0.47 0.00 0.00 -5.21 -1.51 -1.98 -2.74 116.25 105.28 1wft h VAL 20 Ca -0.47 -0.27 -0.14 0.00 -1.23 0.00 0.00 66.70 64.59 1wft h VAL 20 Cb 1.24 1.03 -0.03 0.00 -2.13 0.00 0.00 31.29 31.41 1wft h VAL 20 CO 0.59 0.00 -2.09 0.47 -1.23 0.00 0.00 177.57 175.31 1wft n ASP 21 N -2.36 0.29 0.00 4.19 8.00 -1.26 -5.07 116.55 120.34 1wft n ASP 21 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1wft n ASP 21 Cb 0.24 1.56 0.00 0.00 -0.02 0.00 0.00 41.12 42.89 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 1.53 -1.28 3.14 0.44 0.00 -1.03 -4.43 105.19 103.56 1wft n GLY 22 Ca -0.15 0.59 -0.21 0.00 0.00 0.00 0.00 46.02 46.26 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 1.15 -0.37 -0.61 1.01 -0.85 -1.93 121.20 119.59 1wft s ILE 23 Ca 0.00 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.74 1wft s ILE 23 Cb 0.00 -1.02 0.11 0.00 0.01 0.00 0.00 42.46 41.56 1wft s ILE 23 CO 0.00 0.08 0.10 -2.28 0.00 0.00 0.00 174.94 172.84 1wft s HIS 24 N -0.75 3.68 -0.24 3.97 2.46 0.09 -1.21 115.29 123.29 1wft s HIS 24 Ca 0.03 -2.92 -0.23 0.00 0.47 0.00 0.00 55.06 52.41 1wft s HIS 24 Cb -0.07 -2.98 -0.01 0.00 -0.13 0.00 0.00 32.58 29.39 1wft s HIS 24 CO 0.01 -0.93 0.78 -1.17 -2.47 0.00 0.00 174.74 170.95 1wft s LEU 25 N 0.82 4.08 0.12 8.88 2.96 -0.42 -2.37 118.68 132.75 1wft s LEU 25 Ca 0.11 0.95 0.05 0.00 -0.22 0.00 0.00 54.13 55.03 1wft s LEU 25 Cb -0.20 -3.10 -0.04 0.00 0.50 0.00 0.00 46.19 43.35 1wft s LEU 25 CO -0.07 -0.48 -0.13 -0.44 -1.32 0.00 0.00 176.35 173.92 1wft s SER 26 N 1.37 1.85 0.37 3.68 0.01 -1.11 0.15 113.70 120.02 1wft s SER 26 Ca 0.33 -0.84 -0.12 0.00 1.31 0.00 0.00 55.95 56.62 1wft s SER 26 Cb -0.15 -0.04 0.05 0.00 0.21 0.00 0.00 66.02 66.08 1wft s SER 26 CO 0.08 -0.20 0.70 -2.67 0.41 0.00 0.00 173.24 171.56 1wft n TRP 27 N 0.43 -2.17 -4.25 2.43 2.14 0.08 -2.57 117.44 113.53 1wft n TRP 27 Ca -0.15 -1.81 -0.20 0.00 2.07 0.00 0.00 57.50 57.41 1wft n TRP 27 Cb 0.58 0.82 -0.11 0.00 -0.81 0.00 0.00 31.31 31.79 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 -2.18 1.05 0.46 -2.67 0.41 -0.27 -4.74 118.70 110.77 1wft s GLU 28 Ca 0.17 -1.22 -0.23 0.00 -0.41 0.00 0.00 54.97 53.28 1wft s GLU 28 Cb -0.04 -1.04 -0.07 0.00 -1.78 0.00 0.00 34.13 31.20 1wft s GLU 28 CO 0.12 0.21 1.16 -1.25 -0.49 0.00 0.00 175.26 175.02 1wft s PRO 29 N -2.45 3.74 -0.14 0.39 0.04 -1.26 -1.96 135.00 133.36 1wft s PRO 29 Ca 0.08 1.76 -0.29 0.00 0.04 0.00 0.00 61.00 62.59 1wft s PRO 29 Cb -0.07 -2.39 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 1wft s PRO 29 CO 0.04 -0.56 1.56 -1.25 0.04 0.00 0.00 177.00 176.82 1wft s PRO 30 N -2.72 4.05 0.00 0.56 0.04 -1.26 -4.58 135.00 131.09 1wft s PRO 30 Ca 0.64 1.88 0.11 0.00 0.04 0.00 0.00 61.00 63.67 1wft s PRO 30 Cb -0.28 -3.96 0.56 0.00 0.04 0.00 0.00 34.50 30.86 1wft s PRO 30 CO 0.34 -0.99 1.21 -2.37 0.04 0.00 0.00 177.00 175.24 1wft n THR 31 N 5.81 0.62 -2.15 1.26 5.66 -1.26 -4.76 114.28 119.46 1wft n THR 31 Ca 0.17 0.16 -0.39 0.00 -3.05 0.00 0.00 64.05 60.94 1wft n THR 31 Cb 0.44 -0.98 -0.01 0.00 -1.55 0.00 0.00 70.33 68.23 1wft n THR 31 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1wft s SER 32 N -2.48 6.41 -1.14 1.09 1.04 -1.26 -4.89 113.70 112.47 1wft s SER 32 Ca 0.11 2.53 -0.23 0.00 0.48 0.00 0.00 55.95 58.84 1wft s SER 32 Cb 0.07 -2.63 -0.08 0.00 0.10 0.00 0.00 66.02 63.48 1wft s SER 32 CO 0.16 -0.77 1.94 -2.16 0.98 0.00 0.00 173.24 173.38 1wft s PRO 33 N -2.24 2.50 -0.13 4.02 0.04 -1.26 -4.69 135.00 133.25 1wft s PRO 33 Ca 0.57 -1.02 -0.22 0.00 0.04 0.00 0.00 61.00 60.37 1wft s PRO 33 Cb -0.35 -5.21 -0.26 0.00 0.04 0.00 0.00 34.50 28.72 1wft s PRO 33 CO 0.45 -3.88 0.60 0.66 0.04 0.00 0.00 177.00 174.87 1wft h SER 34 N 9.99 0.21 0.00 6.66 4.64 -1.88 -3.50 113.55 129.67 1wft h SER 34 Ca 0.20 -0.84 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 1wft h SER 34 Cb 0.95 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1wft h SER 34 CO 1.22 1.38 0.00 0.61 -0.87 0.00 0.00 176.83 179.17 1wft n GLY 35 N 1.63 2.16 3.10 -0.77 0.00 -1.26 -4.95 105.19 105.09 1wft n GLY 35 Ca -0.20 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 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 0.00 4.47 -0.42 1.61 0.01 -1.26 -5.08 114.94 114.27 1wft s ASN 36 Ca 0.00 -1.33 -0.17 0.00 -0.71 0.00 0.00 52.86 50.66 1wft s ASN 36 Cb 0.00 -1.58 0.02 0.00 0.41 0.00 0.00 41.25 40.10 1wft s ASN 36 CO 0.00 -0.19 0.40 -0.63 -1.51 0.00 0.00 177.10 175.16 1wft s ILE 37 N 1.14 5.14 0.57 0.60 -1.09 -1.26 -4.59 121.20 121.71 1wft s ILE 37 Ca -0.07 -0.48 -0.00 0.00 -2.23 0.00 0.00 60.65 57.86 1wft s ILE 37 Cb -0.20 -4.01 0.03 0.00 -1.58 0.00 0.00 42.46 36.70 1wft s ILE 37 CO -0.05 -0.40 0.81 -0.76 -1.23 0.00 0.00 174.94 173.31 1wft s LEU 38 N 1.98 3.23 0.80 2.97 1.43 -0.98 -5.04 118.68 123.07 1wft s LEU 38 Ca 0.10 0.12 -0.17 0.00 -1.03 0.00 0.00 54.13 53.15 1wft s LEU 38 Cb -0.18 -2.96 -0.11 0.00 0.03 0.00 0.00 46.19 42.97 1wft s LEU 38 CO 0.12 -1.18 -0.23 -0.62 0.23 0.00 0.00 176.35 174.68 1wft n GLU 39 N -2.43 0.03 -3.45 1.70 1.02 -1.26 -4.34 120.64 111.92 1wft n GLU 39 Ca 0.07 0.02 -0.20 0.00 -0.02 0.00 0.00 57.16 57.04 1wft n GLU 39 Cb 0.60 -1.25 -0.00 0.00 -0.02 0.00 0.00 31.44 30.76 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 -2.02 3.17 -0.18 -0.32 1.51 -0.91 -3.84 117.35 114.76 1wft s TYR 40 Ca 0.52 -0.12 -0.07 0.00 -1.01 0.00 0.00 57.07 56.39 1wft s TYR 40 Cb -0.31 -2.00 0.08 0.00 -0.11 0.00 0.00 41.96 39.63 1wft s TYR 40 CO 0.72 -0.01 0.39 0.45 -1.11 0.00 0.00 175.55 175.98 1wft s SER 41 N -4.16 -0.19 0.00 2.29 0.15 -1.24 -3.40 113.70 107.16 1wft s SER 41 Ca 0.44 0.91 -0.02 0.00 0.70 0.00 0.00 55.95 57.98 1wft s SER 41 Cb -0.10 1.16 -0.04 0.00 -1.71 0.00 0.00 66.02 65.34 1wft s SER 41 CO 0.32 -0.23 0.19 0.00 1.20 0.00 0.00 173.24 174.72 1wft s ALA 42 N 2.42 3.96 0.19 5.45 0.00 -1.19 -4.14 121.76 128.45 1wft s ALA 42 Ca -0.02 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.20 1wft s ALA 42 Cb -0.12 -1.87 -0.05 0.00 0.00 0.00 0.00 23.12 21.08 1wft s ALA 42 CO -0.12 0.76 -0.03 0.71 0.00 0.00 0.00 175.76 177.08 1wft s TYR 43 N -1.35 1.37 -0.03 0.00 1.51 -1.20 -1.02 117.35 116.63 1wft s TYR 43 Ca 0.28 -0.90 0.01 0.00 -1.01 0.00 0.00 57.07 55.45 1wft s TYR 43 Cb -0.13 -0.77 0.02 0.00 -0.11 0.00 0.00 41.96 40.98 1wft s TYR 43 CO 0.20 -0.05 -0.01 -1.17 -1.11 0.00 0.00 175.55 173.41 1wft s LEU 44 N -3.23 1.30 -0.04 -1.29 2.96 -0.28 -3.60 118.68 114.50 1wft s LEU 44 Ca 0.24 -0.03 -0.30 0.00 -0.22 0.00 0.00 54.13 53.81 1wft s LEU 44 Cb 0.05 -0.22 -0.09 0.00 0.50 0.00 0.00 46.19 46.43 1wft s LEU 44 CO 0.05 -0.08 2.01 0.00 -1.32 0.00 0.00 176.35 177.01 1wft n ALA 45 N 3.96 1.50 -4.19 5.97 0.00 -1.26 -2.04 120.51 124.45 1wft n ALA 45 Ca -0.25 0.13 -0.17 0.00 0.00 0.00 0.00 53.44 53.15 1wft n ALA 45 Cb 0.51 -2.70 -0.04 0.00 0.00 0.00 0.00 19.45 17.23 1wft n ALA 45 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1wft n ILE 46 N 5.94 0.00 -3.68 0.00 -5.35 -0.48 -0.03 119.36 115.75 1wft n ILE 46 Ca 0.23 -1.40 -0.37 0.00 -0.27 0.00 0.00 62.75 60.93 1wft n ILE 46 Cb 0.39 0.43 -0.09 0.00 -1.74 0.00 0.00 39.64 38.64 1wft n ILE 46 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1wft s ARG 47 N -2.97 2.76 -0.25 6.28 3.00 -1.25 -4.06 118.95 122.46 1wft s ARG 47 Ca 0.08 -2.66 -0.32 0.00 -1.00 0.00 0.00 55.73 51.83 1wft s ARG 47 Cb 0.00 -3.82 -0.14 0.00 0.00 0.00 0.00 34.95 30.99 1wft s ARG 47 CO 0.06 -1.20 1.04 -2.37 0.00 0.00 0.00 175.30 172.83 1wft n THR 48 N 3.31 0.00 -0.62 4.11 5.66 -1.26 -4.84 114.28 120.64 1wft n THR 48 Ca 0.11 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.79 1wft n THR 48 Cb 0.38 -0.25 0.20 0.00 -1.55 0.00 0.00 70.33 69.11 1wft n THR 48 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wft n ALA 49 N 2.33 -3.95 -2.13 1.79 0.00 -1.26 -4.77 120.51 112.52 1wft n ALA 49 Ca 0.20 -1.29 -0.29 0.00 0.00 0.00 0.00 53.44 52.06 1wft n ALA 49 Cb -0.01 -1.62 -0.05 0.00 0.00 0.00 0.00 19.45 17.77 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 -3.66 2.71 -0.26 0.00 -0.44 -1.26 -4.67 119.66 112.08 1wft s GLN 50 Ca 0.59 -0.44 -0.13 0.00 -2.50 0.00 0.00 55.36 52.87 1wft s GLN 50 Cb -0.15 -5.11 -0.11 0.00 -1.64 0.00 0.00 33.01 26.00 1wft s GLN 50 CO 0.66 -3.22 -0.34 -1.33 0.50 0.00 0.00 175.29 171.56 1wft n MET 51 N 8.84 0.56 -4.17 1.67 2.81 -1.26 -5.07 117.12 120.50 1wft n MET 51 Ca 0.39 0.25 -0.12 0.00 -1.81 0.00 0.00 57.70 56.41 1wft n MET 51 Cb 0.47 -1.44 -0.09 0.00 -0.71 0.00 0.00 33.22 31.45 1wft n MET 51 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1wft s GLN 52 N -2.49 1.29 -1.09 0.03 -2.07 -1.26 -5.06 119.66 109.00 1wft s GLN 52 Ca -0.37 -1.59 -0.20 0.00 -1.82 0.00 0.00 55.36 51.38 1wft s GLN 52 Cb 0.14 0.31 -0.07 0.00 -1.09 0.00 0.00 33.01 32.30 1wft s GLN 52 CO 0.47 -0.45 1.96 -3.47 -1.32 0.00 0.00 175.29 172.48 1wft n ASP 53 N -0.36 3.30 -3.72 12.60 2.03 -1.26 -4.83 116.55 124.31 1wft n ASP 53 Ca 0.02 -2.75 -0.14 0.00 0.52 0.00 0.00 54.79 52.43 1wft n ASP 53 Cb 0.65 -1.47 -0.08 0.00 -0.72 0.00 0.00 41.12 39.50 1wft n ASP 53 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1wft s ASN 54 N 4.85 -0.27 1.02 1.67 -0.87 -1.26 -5.18 114.94 114.91 1wft s ASN 54 Ca 0.57 0.21 -0.02 0.00 -1.57 0.00 0.00 52.86 52.05 1wft s ASN 54 Cb 0.09 0.36 0.03 0.00 -0.02 0.00 0.00 41.25 41.71 1wft s ASN 54 CO 0.07 -0.46 0.10 -0.81 -2.57 0.00 0.00 177.10 173.43 1wft n PRO 55 N 1.27 -1.21 -5.24 -0.60 -0.04 -1.26 -5.01 135.00 122.91 1wft n PRO 55 Ca -0.21 -0.15 -0.31 0.00 -0.04 0.00 0.00 63.50 62.78 1wft n PRO 55 Cb 0.56 -0.14 -0.16 0.00 -0.04 0.00 0.00 33.50 33.72 1wft n PRO 55 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wft s SER 56 N -1.77 3.15 -0.62 3.54 0.01 -1.26 -5.04 113.70 111.71 1wft s SER 56 Ca 0.06 -0.48 0.06 0.00 1.31 0.00 0.00 55.95 56.91 1wft s SER 56 Cb -0.01 -0.75 0.26 0.00 0.21 0.00 0.00 66.02 65.73 1wft s SER 56 CO 0.05 0.27 0.75 0.00 0.41 0.00 0.00 173.24 174.71 1wft n GLN 57 N 2.81 2.48 -4.11 12.44 6.02 -1.26 -4.89 117.38 130.87 1wft n GLN 57 Ca -0.17 -4.61 -0.31 0.00 -0.01 0.00 0.00 57.00 51.90 1wft n GLN 57 Cb 0.52 -2.20 -0.08 0.00 1.02 0.00 0.00 30.24 29.50 1wft n GLN 57 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1wft n LEU 58 N 0.80 -0.79 -4.65 1.08 4.77 -1.26 -4.75 117.00 112.20 1wft n LEU 58 Ca 0.30 -1.10 -0.42 0.00 -0.03 0.00 0.00 56.01 54.75 1wft n LEU 58 Cb 0.42 -1.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.09 1wft n LEU 58 CO 0.39 0.29 1.60 -0.69 -1.33 0.00 0.00 177.39 177.65 1wft s VAL 59 N -3.74 3.16 0.07 4.08 1.01 -1.26 -4.75 120.40 118.96 1wft s VAL 59 Ca 0.27 0.18 -0.16 0.00 0.00 0.00 0.00 61.98 62.27 1wft s VAL 59 Cb -0.16 -3.14 -0.06 0.00 0.00 0.00 0.00 36.38 33.02 1wft s VAL 59 CO 0.88 -0.04 0.51 -0.36 0.00 0.00 0.00 175.10 176.09 1wft s PHE 60 N 5.20 3.73 0.00 5.22 0.40 -1.26 -1.39 117.98 129.88 1wft s PHE 60 Ca 0.87 1.12 0.06 0.00 -0.60 0.00 0.00 56.93 58.38 1wft s PHE 60 Cb -0.38 -2.39 -0.02 0.00 0.51 0.00 0.00 43.02 40.74 1wft s PHE 60 CO 0.38 0.57 -0.19 0.00 0.70 0.00 0.00 175.22 176.67 1wft s MET 61 N -1.31 1.48 0.27 0.44 0.23 -0.87 -4.82 119.30 114.72 1wft s MET 61 Ca 0.29 -0.76 -0.30 0.00 -1.03 0.00 0.00 55.69 53.90 1wft s MET 61 Cb -0.17 -1.48 -0.13 0.00 -1.53 0.00 0.00 34.83 31.52 1wft s MET 61 CO 0.17 0.40 1.33 -2.13 -2.03 0.00 0.00 175.02 172.75 1wft n ARG 62 N 2.38 1.95 0.00 3.16 0.63 -1.26 -1.13 116.66 122.39 1wft n ARG 62 Ca -0.16 0.69 0.00 0.00 -0.92 0.00 0.00 57.85 57.46 1wft n ARG 62 Cb 0.53 -2.29 0.00 0.00 0.45 0.00 0.00 32.46 31.15 1wft n ARG 62 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 1wft n ILE 63 N 1.29 0.00 -3.69 5.15 -5.35 -0.19 -4.86 119.36 111.72 1wft n ILE 63 Ca 0.10 -0.30 -0.13 0.00 -0.27 0.00 0.00 62.75 62.15 1wft n ILE 63 Cb 0.32 0.92 -0.09 0.00 -1.74 0.00 0.00 39.64 39.06 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 -0.75 -0.62 -0.20 4.28 6.14 -1.23 -5.00 117.35 119.98 1wft s TYR 64 Ca 0.00 1.49 0.00 0.00 0.64 0.00 0.00 57.07 59.20 1wft s TYR 64 Cb 0.00 0.22 0.05 0.00 0.42 0.00 0.00 41.96 42.65 1wft s TYR 64 CO 0.00 -0.30 -0.08 0.00 0.64 0.00 0.00 175.55 175.81 1wft n GLY 66 N 4.74 0.93 0.04 0.00 0.00 -1.22 -5.00 105.19 104.68 1wft n GLY 66 Ca -0.13 -0.71 0.13 0.00 0.00 0.00 0.00 46.02 45.31 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 0.33 -4.77 0.99 -0.00 -1.26 -2.14 117.00 110.15 1wft n LEU 67 Ca 0.00 0.17 -0.36 0.00 -0.00 0.00 0.00 56.01 55.82 1wft n LEU 67 Cb 0.00 -0.31 0.01 0.00 -0.00 0.00 0.00 43.42 43.11 1wft n LEU 67 CO 0.00 0.07 0.83 -0.75 -0.00 0.00 0.00 177.39 177.54 1wft s LYS 68 N -2.84 3.38 -0.28 1.47 2.20 -1.26 -4.56 119.74 117.84 1wft s LYS 68 Ca 0.17 1.76 0.00 0.00 -0.36 0.00 0.00 55.97 57.54 1wft s LYS 68 Cb 0.19 -2.13 0.25 0.00 -1.51 0.00 0.00 37.83 34.63 1wft s LYS 68 CO 0.57 -0.86 1.81 0.25 -0.36 0.00 0.00 175.35 176.76 1wft n THR 69 N -1.09 2.52 -3.51 3.43 -2.24 -1.26 -4.82 114.28 107.31 1wft n THR 69 Ca 0.11 -1.39 -0.10 0.00 -2.27 0.00 0.00 64.05 60.39 1wft n THR 69 Cb 0.49 -1.13 -0.03 0.00 -2.10 0.00 0.00 70.33 67.56 1wft n THR 69 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1wft s SER 70 N 0.08 -0.43 0.29 3.42 0.15 -1.26 -0.74 113.70 115.21 1wft s SER 70 Ca 0.30 0.19 -0.15 0.00 0.70 0.00 0.00 55.95 56.98 1wft s SER 70 Cb 0.24 0.41 0.01 0.00 -1.71 0.00 0.00 66.02 64.97 1wft s SER 70 CO 0.02 -0.59 0.61 0.00 1.20 0.00 0.00 173.24 174.48 1wft s THR 72 N -3.65 1.74 -0.33 0.00 2.01 -1.26 -1.30 115.64 112.86 1wft s THR 72 Ca 0.18 -0.84 -0.01 0.00 0.31 0.00 0.00 61.69 61.33 1wft s THR 72 Cb -0.03 -1.52 0.07 0.00 0.01 0.00 0.00 72.50 71.03 1wft s THR 72 CO 0.10 0.49 0.05 -0.69 -0.69 0.00 0.00 174.62 173.87 1wft s VAL 73 N 0.37 2.89 1.04 3.82 1.01 -0.35 -4.99 120.40 124.19 1wft s VAL 73 Ca -0.15 -1.71 -0.14 0.00 0.00 0.00 0.00 61.98 59.98 1wft s VAL 73 Cb -0.17 -2.81 0.21 0.00 0.00 0.00 0.00 36.38 33.61 1wft s VAL 73 CO 0.07 -0.31 1.11 0.42 0.00 0.00 0.00 175.10 176.39 1wft s THR 74 N 1.16 1.90 0.13 3.92 -4.23 -1.26 -2.01 115.64 115.25 1wft s THR 74 Ca -0.00 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.32 1wft s THR 74 Cb -0.20 -2.55 -0.04 0.00 1.34 0.00 0.00 72.50 71.04 1wft s THR 74 CO -0.03 0.00 1.76 0.00 -0.54 0.00 0.00 174.62 175.81 1wft h ALA 75 N -2.02 0.28 -0.91 3.99 0.00 -1.97 -2.68 119.26 115.96 1wft h ALA 75 Ca -0.51 0.01 0.24 0.00 0.00 0.00 0.00 54.91 54.65 1wft h ALA 75 Cb 1.32 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.93 1wft h ALA 75 CO 0.52 -0.30 0.10 0.78 0.00 0.00 0.00 179.25 180.36 1wft h GLY 76 N 0.24 1.23 1.05 0.00 0.00 -1.97 0.43 103.07 104.04 1wft h GLY 76 Ca 0.10 0.08 -0.07 0.00 0.00 0.00 0.00 47.33 47.44 1wft h GLY 76 CO -0.08 -0.43 0.10 1.46 0.00 0.00 0.00 176.54 177.59 1wft h GLN 77 N 0.09 1.04 -0.11 4.80 4.20 -1.84 -2.50 115.11 120.78 1wft h GLN 77 Ca 0.55 -0.28 0.03 0.00 0.06 0.00 0.00 58.65 59.02 1wft h GLN 77 Cb 1.12 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.77 1wft h GLN 77 CO -0.78 0.97 0.09 -0.07 -0.67 0.00 0.00 178.83 178.36 1wft h LEU 78 N 0.95 0.00 -2.13 1.46 3.38 -0.01 -0.48 115.31 118.48 1wft h LEU 78 Ca 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1wft h LEU 78 Cb 0.43 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1wft h LEU 78 CO 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 178.44 178.52 1wft h ALA 79 N 1.93 1.79 0.00 1.53 0.00 -0.84 -0.60 119.26 123.06 1wft h ALA 79 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1wft h ALA 79 Cb 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1wft h ALA 79 CO -0.00 0.03 -0.83 0.09 0.00 0.00 0.00 179.25 178.54 1wft n ASN 80 N -4.25 0.63 -4.71 0.00 3.02 -0.21 -4.91 115.26 104.84 1wft n ASN 80 Ca -0.03 -0.25 -0.42 0.00 -0.03 0.00 0.00 54.58 53.85 1wft n ASN 80 Cb 0.11 0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 39.83 1wft n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wft s ALA 81 N -3.12 3.66 0.08 5.41 0.00 -0.24 -3.93 121.76 123.62 1wft s ALA 81 Ca 0.06 1.19 -0.22 0.00 0.00 0.00 0.00 51.96 52.99 1wft s ALA 81 Cb 0.15 -3.59 -0.07 0.00 0.00 0.00 0.00 23.12 19.62 1wft s ALA 81 CO 0.77 -0.76 0.67 -1.58 0.00 0.00 0.00 175.76 174.86 1wft s HIS 82 N 1.44 3.80 -0.10 0.00 2.46 0.95 -4.97 115.29 118.87 1wft s HIS 82 Ca 0.67 1.39 -0.01 0.00 0.47 0.00 0.00 55.06 57.59 1wft s HIS 82 Cb -0.39 -2.65 -0.03 0.00 -0.13 0.00 0.00 32.58 29.38 1wft s HIS 82 CO 0.30 0.46 -0.05 0.42 -2.47 0.00 0.00 174.74 173.40 1wft s ILE 83 N -0.74 3.79 -0.67 0.89 1.01 -1.26 -4.46 121.20 119.77 1wft s ILE 83 Ca 0.33 -0.43 -0.23 0.00 0.00 0.00 0.00 60.65 60.32 1wft s ILE 83 Cb -0.20 -2.59 0.06 0.00 0.01 0.00 0.00 42.46 39.74 1wft s ILE 83 CO 0.21 0.57 1.00 -0.62 0.00 0.00 0.00 174.94 176.10 1wft s ASP 84 N -0.43 6.17 -0.54 3.58 -1.08 -1.23 -4.88 116.67 118.27 1wft s ASP 84 Ca 0.07 -0.91 0.01 0.00 -0.52 0.00 0.00 52.55 51.19 1wft s ASP 84 Cb -0.12 -2.44 0.53 0.00 -1.46 0.00 0.00 42.92 39.43 1wft s ASP 84 CO 0.02 -1.49 1.96 -1.22 0.52 0.00 0.00 175.17 174.97 1wft n TYR 85 N 7.91 3.03 -0.11 -5.34 4.01 -1.26 -3.13 117.16 122.26 1wft n TYR 85 Ca -0.03 -2.41 -0.22 0.00 -0.16 0.00 0.00 57.90 55.09 1wft n TYR 85 Cb 0.46 -1.19 -0.09 0.00 -0.31 0.00 0.00 39.34 38.21 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 -0.94 1.52 -0.01 -0.72 -2.24 -1.26 -4.87 114.28 105.77 1wft n THR 86 Ca 0.59 -0.12 -0.01 0.00 -2.27 0.00 0.00 64.05 62.24 1wft n THR 86 Cb 1.11 -2.05 -0.00 0.00 -2.10 0.00 0.00 70.33 67.28 1wft n THR 86 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1wft n SER 87 N -4.39 1.88 -3.70 3.42 7.64 -1.26 -5.06 113.62 112.14 1wft n SER 87 Ca -0.36 0.01 -0.11 0.00 1.01 0.00 0.00 58.87 59.41 1wft n SER 87 Cb 0.69 -0.03 -0.12 0.00 -1.01 0.00 0.00 64.21 63.75 1wft n SER 87 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1wft s ARG 88 N -2.02 0.28 -0.87 1.43 3.52 -1.26 -5.10 118.95 114.94 1wft s ARG 88 Ca -0.02 0.69 -0.25 0.00 -0.13 0.00 0.00 55.73 56.02 1wft s ARG 88 Cb 0.01 -0.05 -0.04 0.00 -1.56 0.00 0.00 34.95 33.31 1wft s ARG 88 CO 0.02 -0.18 1.94 -1.25 -0.81 0.00 0.00 175.30 175.02 1wft s PRO 89 N 1.52 2.56 0.00 5.12 0.04 -1.18 -4.57 135.00 138.49 1wft s PRO 89 Ca -0.08 -0.18 -0.02 0.00 0.04 0.00 0.00 61.00 60.76 1wft s PRO 89 Cb -0.10 -4.98 -0.01 0.00 0.04 0.00 0.00 34.50 29.45 1wft s PRO 89 CO -0.11 -3.30 0.04 0.00 0.04 0.00 0.00 177.00 173.67 1wft s ALA 90 N 9.97 -0.07 0.03 8.56 0.00 -1.26 -4.32 121.76 134.66 1wft s ALA 90 Ca 0.70 -0.24 -0.23 0.00 0.00 0.00 0.00 51.96 52.18 1wft s ALA 90 Cb -0.07 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.06 1wft s ALA 90 CO 0.02 -0.13 0.70 0.42 0.00 0.00 0.00 175.76 176.77 1wft s ILE 91 N -0.99 4.79 -0.07 0.00 1.01 -1.23 -3.50 121.20 121.21 1wft s ILE 91 Ca -0.11 1.49 -0.04 0.00 0.00 0.00 0.00 60.65 61.99 1wft s ILE 91 Cb -0.06 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 1wft s ILE 91 CO -0.00 0.39 0.11 -0.69 0.00 0.00 0.00 174.94 174.75 1wft s VAL 92 N -0.14 5.11 0.29 2.92 1.01 -1.26 -1.67 120.40 126.66 1wft s VAL 92 Ca 0.36 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.30 1wft s VAL 92 Cb -0.20 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 1wft s VAL 92 CO 0.21 0.52 0.09 -0.36 0.00 0.00 0.00 175.10 175.56 1wft s PHE 93 N -1.08 1.70 -0.06 5.22 0.08 -1.02 -4.03 117.98 118.79 1wft s PHE 93 Ca 0.18 -1.13 -0.07 0.00 0.12 0.00 0.00 56.93 56.03 1wft s PHE 93 Cb -0.12 -1.04 0.02 0.00 -0.57 0.00 0.00 43.02 41.31 1wft s PHE 93 CO 0.08 -0.23 0.19 1.03 -0.10 0.00 0.00 175.22 176.19 1wft s ARG 94 N -3.95 0.26 -0.12 0.44 0.52 -1.24 -3.24 118.95 111.63 1wft s ARG 94 Ca 0.36 0.19 -0.05 0.00 -0.52 0.00 0.00 55.73 55.71 1wft s ARG 94 Cb 0.08 0.12 0.05 0.00 0.52 0.00 0.00 34.95 35.72 1wft s ARG 94 CO 0.15 -0.04 0.26 0.42 0.02 0.00 0.00 175.30 176.11 1wft s ILE 95 N -0.09 -0.16 0.29 1.52 1.01 -1.23 -3.22 121.20 119.33 1wft s ILE 95 Ca -0.02 0.19 -0.11 0.00 0.00 0.00 0.00 60.65 60.72 1wft s ILE 95 Cb -0.02 -0.41 0.01 0.00 0.01 0.00 0.00 42.46 42.04 1wft s ILE 95 CO 0.00 0.08 0.52 -0.44 0.00 0.00 0.00 174.94 175.11 1wft s SER 96 N 1.66 0.19 0.09 3.58 0.01 -1.26 -2.93 113.70 115.03 1wft s SER 96 Ca -0.06 -1.10 0.08 0.00 1.31 0.00 0.00 55.95 56.18 1wft s SER 96 Cb -0.11 0.64 -0.03 0.00 0.21 0.00 0.00 66.02 66.73 1wft s SER 96 CO -0.09 -1.26 -0.20 0.00 0.41 0.00 0.00 173.24 172.10 1wft s ALA 97 N -3.54 1.76 0.07 1.44 0.00 -1.26 -3.70 121.76 116.53 1wft s ALA 97 Ca 0.23 -1.20 -0.23 0.00 0.00 0.00 0.00 51.96 50.77 1wft s ALA 97 Cb -0.01 -0.25 -0.06 0.00 0.00 0.00 0.00 23.12 22.79 1wft s ALA 97 CO 0.12 0.36 0.68 0.21 0.00 0.00 0.00 175.76 177.13 1wft s LYS 98 N -1.77 4.40 0.00 0.00 2.20 -1.25 -3.77 119.74 119.55 1wft s LYS 98 Ca 0.06 0.94 0.00 0.00 -0.36 0.00 0.00 55.97 56.61 1wft s LYS 98 Cb -0.10 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 1wft s LYS 98 CO 0.04 0.46 0.00 -1.71 -0.36 0.00 0.00 175.35 173.77 1wft n ASN 99 N 2.23 0.00 0.00 1.43 2.85 0.36 -2.32 115.26 119.81 1wft n ASN 99 Ca -0.06 0.15 0.00 0.00 -0.11 0.00 0.00 54.58 54.56 1wft n ASN 99 Cb 0.50 -0.27 0.00 0.00 1.24 0.00 0.00 39.78 41.25 1wft n ASN 99 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1wft n GLU 100 N -1.63 0.00 -0.01 1.20 2.13 -1.26 -4.57 120.64 116.50 1wft n GLU 100 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 1wft n GLU 100 Cb 0.00 -0.29 -0.02 0.00 0.27 0.00 0.00 31.44 31.40 1wft n GLU 100 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1wft n LYS 101 N -2.75 3.32 -2.35 5.31 4.76 -1.26 -5.10 118.16 120.09 1wft n LYS 101 Ca 0.00 -0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.39 1wft n LYS 101 Cb 0.27 -1.07 -0.01 0.00 -1.84 0.00 0.00 35.03 32.39 1wft n LYS 101 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wft n GLY 102 N 2.80 2.64 4.02 0.72 0.00 -1.26 -5.12 105.19 109.00 1wft n GLY 102 Ca -0.04 -1.42 -0.20 0.00 0.00 0.00 0.00 46.02 44.36 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 -4.58 1.63 0.00 1.61 1.51 -1.26 -0.49 117.35 115.77 1wft s TYR 103 Ca 0.10 -0.59 0.00 0.00 -1.01 0.00 0.00 57.07 55.56 1wft s TYR 103 Cb -0.01 -2.38 0.00 0.00 -0.11 0.00 0.00 41.96 39.46 1wft s TYR 103 CO 0.07 -1.17 0.00 0.41 -1.11 0.00 0.00 175.55 173.75 1wft n GLY 104 N -2.31 1.46 3.70 0.71 0.00 -1.25 -4.90 105.19 102.60 1wft n GLY 104 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 2.93 4.30 -0.25 1.61 0.04 -1.26 -5.01 135.00 137.36 1wft s PRO 105 Ca 0.00 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 62.96 1wft s PRO 105 Cb 0.00 -3.44 -0.05 0.00 0.04 0.00 0.00 34.50 31.05 1wft s PRO 105 CO 0.00 -0.52 0.17 0.00 0.04 0.00 0.00 177.00 176.69 1wft s ALA 106 N 1.87 3.59 0.52 8.56 0.00 -1.26 -4.16 121.76 130.88 1wft s ALA 106 Ca 0.65 -0.94 -0.19 0.00 0.00 0.00 0.00 51.96 51.48 1wft s ALA 106 Cb -0.34 -2.37 -0.07 0.00 0.00 0.00 0.00 23.12 20.35 1wft s ALA 106 CO 0.28 -0.29 1.05 -0.08 0.00 0.00 0.00 175.76 176.73 1wft s THR 107 N 1.24 3.76 -0.20 0.00 -1.32 -1.15 -4.90 115.64 113.07 1wft s THR 107 Ca 0.07 1.02 -0.01 0.00 -1.21 0.00 0.00 61.69 61.56 1wft s THR 107 Cb -0.14 -3.42 0.05 0.00 -1.51 0.00 0.00 72.50 67.48 1wft s THR 107 CO 0.06 -0.32 -0.02 -1.58 -2.21 0.00 0.00 174.62 170.56 1wft s GLN 108 N -3.49 1.20 0.17 7.08 0.74 -1.26 -3.51 119.66 120.59 1wft s GLN 108 Ca 0.66 -0.65 0.08 0.00 0.05 0.00 0.00 55.36 55.50 1wft s GLN 108 Cb -0.17 -2.25 -0.04 0.00 1.10 0.00 0.00 33.01 31.66 1wft s GLN 108 CO 0.25 -0.57 -0.06 -1.50 -0.55 0.00 0.00 175.29 172.87 1wft s ILE 109 N 1.63 3.43 -0.23 -2.34 2.07 -1.20 -4.97 121.20 119.59 1wft s ILE 109 Ca -0.02 -1.51 0.02 0.00 -1.41 0.00 0.00 60.65 57.72 1wft s ILE 109 Cb -0.17 -2.69 0.05 0.00 0.13 0.00 0.00 42.46 39.77 1wft s ILE 109 CO -0.07 -0.08 -0.11 -0.13 -1.91 0.00 0.00 174.94 172.64 1wft s ARG 110 N -2.78 2.14 -1.00 3.50 0.52 -1.26 -2.43 118.95 117.64 1wft s ARG 110 Ca 0.25 -1.06 -0.12 0.00 -0.52 0.00 0.00 55.73 54.28 1wft s ARG 110 Cb -0.09 -2.64 0.23 0.00 0.52 0.00 0.00 34.95 32.97 1wft s ARG 110 CO 0.16 -0.49 1.03 -0.46 0.02 0.00 0.00 175.30 175.56 1wft s TRP 111 N 1.27 3.88 -0.59 -0.53 -0.00 -0.67 -4.93 118.94 117.37 1wft s TRP 111 Ca -0.04 -2.24 -0.26 0.00 -0.00 0.00 0.00 56.10 53.56 1wft s TRP 111 Cb -0.18 -3.93 -0.09 0.00 -0.00 0.00 0.00 33.47 29.27 1wft s TRP 111 CO -0.07 -1.07 2.42 1.28 -0.00 0.00 0.00 176.95 179.51 1wft n LEU 112 N 3.89 2.11 -4.75 5.86 4.77 -1.26 -3.48 117.00 124.15 1wft n LEU 112 Ca 0.22 -0.77 -0.41 0.00 -0.03 0.00 0.00 56.01 55.02 1wft n LEU 112 Cb 0.43 -1.59 -0.04 0.00 -2.33 0.00 0.00 43.42 39.90 1wft n LEU 112 CO 0.44 -1.86 0.82 0.00 -1.33 0.00 0.00 177.39 175.46 1wft s GLN 113 N 8.48 4.58 0.00 3.23 0.00 -1.26 -4.82 119.66 129.87 1wft s GLN 113 Ca 0.98 1.82 0.00 0.00 -0.00 0.00 0.00 55.36 58.16 1wft s GLN 113 Cb -0.19 -3.21 0.00 0.00 0.00 0.00 0.00 33.01 29.61 1wft s GLN 113 CO 0.22 0.09 0.00 0.41 0.00 0.00 0.00 175.29 176.01 1wft n GLY 114 N 1.59 0.00 3.20 2.60 0.00 -1.26 -4.99 105.19 106.33 1wft n GLY 114 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1wft n GLY 114 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wft s ASN 115 N 0.00 3.17 -0.49 1.61 0.01 -1.26 -5.09 114.94 112.89 1wft s ASN 115 Ca 0.00 -0.57 -0.25 0.00 -0.71 0.00 0.00 52.86 51.32 1wft s ASN 115 Cb 0.00 -1.45 0.03 0.00 0.41 0.00 0.00 41.25 40.24 1wft s ASN 115 CO 0.00 0.10 0.93 -0.55 -1.51 0.00 0.00 177.10 176.08 1wft s SER 116 N 0.67 6.45 -0.30 -1.22 0.15 -1.26 -4.99 113.70 113.19 1wft s SER 116 Ca -0.10 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.52 1wft s SER 116 Cb -0.16 -2.45 0.09 0.00 -1.71 0.00 0.00 66.02 61.80 1wft s SER 116 CO 0.01 -1.11 0.07 -0.54 1.20 0.00 0.00 173.24 172.88 1wft s LYS 117 N 3.83 0.93 -0.40 5.44 -0.14 -1.26 -5.07 119.74 123.07 1wft s LYS 117 Ca 0.35 -1.19 0.03 0.00 -1.36 0.00 0.00 55.97 53.80 1wft s LYS 117 Cb -0.11 -2.28 0.11 0.00 -1.68 0.00 0.00 37.83 33.87 1wft s LYS 117 CO 0.24 -0.93 0.13 0.45 -0.76 0.00 0.00 175.35 174.48 1wft s SER 118 N 1.47 4.48 0.00 2.83 0.15 -1.26 -5.09 113.70 116.28 1wft s SER 118 Ca 0.08 -2.41 0.00 0.00 0.70 0.00 0.00 55.95 54.33 1wft s SER 118 Cb -0.18 -1.52 0.00 0.00 -1.71 0.00 0.00 66.02 62.62 1wft s SER 118 CO -0.19 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.53 1wft n GLY 119 N 3.91 4.86 3.56 9.45 0.00 -1.26 -5.05 105.19 120.66 1wft n GLY 119 Ca 0.04 -2.04 -0.27 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.33 2.54 -0.02 1.61 0.04 -1.26 -4.90 135.00 131.68 1wft s PRO 120 Ca 0.00 -0.47 -0.00 0.00 0.04 0.00 0.00 61.00 60.57 1wft s PRO 120 Cb 0.00 -5.10 0.02 0.00 0.04 0.00 0.00 34.50 29.46 1wft s PRO 120 CO 0.00 -3.50 0.03 0.45 0.04 0.00 0.00 177.00 174.02 1wft s SER 121 N 7.73 0.05 -0.14 6.66 0.15 -1.26 -5.15 113.70 121.74 1wft s SER 121 Ca 0.70 0.04 -0.29 0.00 0.70 0.00 0.00 55.95 57.10 1wft s SER 121 Cb -0.05 -0.04 0.08 0.00 -1.71 0.00 0.00 66.02 64.29 1wft s SER 121 CO 0.02 -0.10 0.76 -0.44 1.20 0.00 0.00 173.24 174.68 1wft s SER 122 N 0.84 -0.63 0.00 5.45 0.01 -1.26 -5.23 113.70 112.88 1wft s SER 122 Ca -0.07 0.87 0.00 0.00 1.31 0.00 0.00 55.95 58.06 1wft s SER 122 Cb -0.10 0.76 0.00 0.00 0.21 0.00 0.00 66.02 66.89 1wft s SER 122 CO -0.02 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 173.79