#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 0.22 -0.84 1.61 0.01 -1.26 -5.10 113.70 108.34 1wft s SER 2 Ca 0.00 -1.36 -0.20 0.00 1.31 0.00 0.00 55.95 55.69 1wft s SER 2 Cb 0.00 0.42 0.10 0.00 0.21 0.00 0.00 66.02 66.75 1wft s SER 2 CO 0.00 -0.89 1.09 -0.94 0.41 0.00 0.00 173.24 172.91 1wft s SER 3 N -3.16 6.46 0.06 2.44 1.04 -1.26 -4.95 113.70 114.34 1wft s SER 3 Ca 0.37 -1.65 -0.27 0.00 0.48 0.00 0.00 55.95 54.88 1wft s SER 3 Cb 0.06 -2.42 0.09 0.00 0.10 0.00 0.00 66.02 63.85 1wft s SER 3 CO 0.13 -1.22 0.98 -0.83 0.98 0.00 0.00 173.24 173.28 1wft s GLY 4 N 3.75 -0.34 -0.47 7.32 0.00 -1.26 -5.12 107.32 111.22 1wft s GLY 4 Ca 0.30 0.57 0.03 0.00 0.00 0.00 0.00 44.72 45.62 1wft s GLY 4 CO -0.03 0.16 0.30 -0.45 0.00 0.00 0.00 173.10 173.08 1wft s SER 5 N -2.75 3.26 -0.22 1.64 0.15 -1.26 -4.98 113.70 109.55 1wft s SER 5 Ca 0.10 -2.87 -0.01 0.00 0.70 0.00 0.00 55.95 53.86 1wft s SER 5 Cb -0.01 -0.93 0.09 0.00 -1.71 0.00 0.00 66.02 63.47 1wft s SER 5 CO -0.03 -0.22 2.25 -0.24 1.20 0.00 0.00 173.24 176.20 1wft n SER 6 N 3.19 6.04 -4.70 5.45 2.88 -1.26 -4.92 113.62 120.30 1wft n SER 6 Ca 0.16 -2.84 -0.25 0.00 -1.33 0.00 0.00 58.87 54.60 1wft n SER 6 Cb 0.38 -1.13 0.10 0.00 -0.75 0.00 0.00 64.21 62.81 1wft n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wft s GLY 7 N 0.88 1.75 0.29 0.46 0.00 -1.26 -5.01 107.32 104.42 1wft s GLY 7 Ca 0.29 -1.29 -0.29 0.00 0.00 0.00 0.00 44.72 43.43 1wft s GLY 7 CO -0.03 -0.77 1.24 2.56 0.00 0.00 0.00 173.10 176.10 1wft s PRO 8 N -5.28 4.45 0.93 2.90 0.04 -1.26 -4.96 135.00 131.82 1wft s PRO 8 Ca 0.64 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 63.62 1wft s PRO 8 Cb -0.08 -3.13 0.06 0.00 0.04 0.00 0.00 34.50 31.39 1wft s PRO 8 CO 0.45 -0.08 0.59 0.41 0.04 0.00 0.00 177.00 178.42 1wft n GLY 9 N 1.26 -1.59 3.74 0.56 0.00 -1.26 -4.58 105.19 103.33 1wft n GLY 9 Ca 0.01 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.43 3.36 0.43 4.61 0.00 -1.26 -4.69 121.76 121.78 1wft s ALA 10 Ca 0.60 0.79 -0.24 0.00 0.00 0.00 0.00 51.96 53.10 1wft s ALA 10 Cb -0.22 -3.32 -0.08 0.00 0.00 0.00 0.00 23.12 19.50 1wft s ALA 10 CO 0.65 -0.12 1.18 -1.25 0.00 0.00 0.00 175.76 176.22 1wft s PRO 11 N -0.74 3.90 0.25 0.00 0.04 -1.26 -4.67 135.00 132.52 1wft s PRO 11 Ca 0.47 1.83 0.01 0.00 0.04 0.00 0.00 61.00 63.35 1wft s PRO 11 Cb -0.29 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.66 1wft s PRO 11 CO 0.36 -0.45 0.14 0.45 0.04 0.00 0.00 177.00 177.54 1wft s SER 12 N -1.21 0.90 -0.91 6.66 0.15 -1.24 -4.84 113.70 113.20 1wft s SER 12 Ca 0.60 -1.46 -0.06 0.00 0.70 0.00 0.00 55.95 55.73 1wft s SER 12 Cb -0.30 0.34 0.01 0.00 -1.71 0.00 0.00 66.02 64.35 1wft s SER 12 CO 0.38 -0.84 0.80 0.41 1.20 0.00 0.00 173.24 175.18 1wft n THR 13 N -0.43 -2.21 -2.68 6.45 -1.04 -1.26 -3.46 114.28 109.64 1wft n THR 13 Ca 0.02 -0.03 -0.43 0.00 -2.04 0.00 0.00 64.05 61.57 1wft n THR 13 Cb 0.65 -3.28 -0.03 0.00 -1.82 0.00 0.00 70.33 65.86 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 -3.22 4.46 0.00 12.58 1.01 -1.26 -4.23 120.40 129.75 1wft s VAL 14 Ca 0.37 1.46 -0.01 0.00 0.00 0.00 0.00 61.98 63.80 1wft s VAL 14 Cb -0.16 -4.43 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 1wft s VAL 14 CO 0.49 -0.61 0.12 -0.13 0.00 0.00 0.00 175.10 174.98 1wft s ARG 15 N 3.78 3.21 0.03 2.72 0.52 -0.88 -4.97 118.95 123.36 1wft s ARG 15 Ca 0.44 -0.44 0.04 0.00 -0.52 0.00 0.00 55.73 55.24 1wft s ARG 15 Cb -0.11 -2.94 -0.02 0.00 0.52 0.00 0.00 34.95 32.40 1wft s ARG 15 CO 0.20 0.65 -0.11 0.42 0.02 0.00 0.00 175.30 176.48 1wft s ILE 16 N -1.28 0.83 -0.19 1.52 1.01 -1.26 -1.25 121.20 120.59 1wft s ILE 16 Ca 0.26 -0.91 -0.14 0.00 0.00 0.00 0.00 60.65 59.86 1wft s ILE 16 Cb -0.12 -0.79 0.05 0.00 0.01 0.00 0.00 42.46 41.61 1wft s ILE 16 CO 0.17 -0.10 0.47 -0.44 0.00 0.00 0.00 174.94 175.05 1wft s SER 17 N -1.12 -0.55 0.21 3.58 0.01 -0.89 -5.04 113.70 109.90 1wft s SER 17 Ca -0.02 0.99 -0.31 0.00 1.31 0.00 0.00 55.95 57.92 1wft s SER 17 Cb -0.08 0.94 -0.10 0.00 0.21 0.00 0.00 66.02 66.99 1wft s SER 17 CO 0.01 -0.18 1.50 -0.75 0.41 0.00 0.00 173.24 174.22 1wft s LYS 18 N 0.82 4.24 0.40 12.44 2.47 -1.26 -0.80 119.74 138.05 1wft s LYS 18 Ca -0.05 2.33 0.08 0.00 -1.56 0.00 0.00 55.97 56.77 1wft s LYS 18 Cb -0.05 -3.13 -0.03 0.00 -1.46 0.00 0.00 37.83 33.15 1wft s LYS 18 CO -0.06 -0.51 0.30 1.21 0.16 0.00 0.00 175.35 176.45 1wft s ASN 19 N 0.75 4.88 0.12 1.43 3.84 0.17 -4.79 114.94 121.34 1wft s ASN 19 Ca 0.64 -0.82 -0.11 0.00 0.21 0.00 0.00 52.86 52.79 1wft s ASN 19 Cb -0.43 -0.59 -0.12 0.00 -0.55 0.00 0.00 41.25 39.57 1wft s ASN 19 CO 0.37 -0.58 1.33 0.58 -2.79 0.00 0.00 177.10 176.01 1wft h VAL 20 N 1.19 1.29 -0.80 -5.21 2.07 -1.95 -3.17 116.25 109.67 1wft h VAL 20 Ca -0.42 -2.00 -0.30 0.00 0.82 0.00 0.00 66.70 64.80 1wft h VAL 20 Cb 1.26 2.00 -0.18 0.00 -1.52 0.00 0.00 31.29 32.86 1wft h VAL 20 CO 0.61 0.63 0.36 -0.67 0.02 0.00 0.00 177.57 178.53 1wft n ASP 21 N -3.92 4.46 0.00 0.57 2.03 -1.26 -4.95 116.55 113.48 1wft n ASP 21 Ca -0.07 -3.35 0.00 0.00 0.52 0.00 0.00 54.79 51.89 1wft n ASP 21 Cb 0.74 -0.77 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 1wft n ASP 21 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wft n GLY 22 N -0.47 0.44 3.29 0.27 0.00 -1.20 -4.57 105.19 102.95 1wft n GLY 22 Ca 0.46 -1.34 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.49 1.93 -0.39 -0.61 1.01 -0.36 0.45 121.20 119.74 1wft s ILE 23 Ca 0.00 -1.08 -0.14 0.00 0.00 0.00 0.00 60.65 59.44 1wft s ILE 23 Cb 0.00 -1.61 0.02 0.00 0.01 0.00 0.00 42.46 40.88 1wft s ILE 23 CO 0.00 0.51 0.27 -2.28 0.00 0.00 0.00 174.94 173.44 1wft s HIS 24 N -0.60 3.24 -0.27 3.97 2.46 0.02 -0.86 115.29 123.24 1wft s HIS 24 Ca 0.09 -0.63 -0.10 0.00 0.47 0.00 0.00 55.06 54.89 1wft s HIS 24 Cb -0.09 -2.54 -0.04 0.00 -0.13 0.00 0.00 32.58 29.77 1wft s HIS 24 CO -0.01 -0.57 0.16 -1.17 -2.47 0.00 0.00 174.74 170.68 1wft s LEU 25 N 1.66 3.87 0.20 8.88 2.96 -0.11 -2.09 118.68 134.05 1wft s LEU 25 Ca 0.04 -0.08 0.11 0.00 -0.22 0.00 0.00 54.13 53.98 1wft s LEU 25 Cb -0.19 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 1wft s LEU 25 CO 0.09 -0.05 -0.22 -0.94 -1.32 0.00 0.00 176.35 173.91 1wft s SER 26 N 1.72 3.28 0.23 3.68 1.04 -0.38 -1.00 113.70 122.27 1wft s SER 26 Ca 0.07 -0.89 -0.21 0.00 0.48 0.00 0.00 55.95 55.39 1wft s SER 26 Cb -0.16 -0.24 0.04 0.00 0.10 0.00 0.00 66.02 65.76 1wft s SER 26 CO 0.09 0.07 0.66 -1.66 0.98 0.00 0.00 173.24 173.38 1wft s TRP 27 N -1.89 -0.30 0.16 5.02 -2.14 -1.02 -2.08 118.94 116.68 1wft s TRP 27 Ca 0.21 -0.06 0.10 0.00 2.66 0.00 0.00 56.10 59.00 1wft s TRP 27 Cb -0.07 0.63 -0.04 0.00 -3.10 0.00 0.00 33.47 30.89 1wft s TRP 27 CO 0.10 -1.08 -0.22 -1.21 -2.66 0.00 0.00 176.95 171.88 1wft s GLU 28 N -3.86 1.34 0.92 3.25 0.41 -1.23 -4.74 118.70 114.79 1wft s GLU 28 Ca 0.08 -1.39 -0.12 0.00 -0.41 0.00 0.00 54.97 53.13 1wft s GLU 28 Cb -0.04 -1.59 0.14 0.00 -1.78 0.00 0.00 34.13 30.86 1wft s GLU 28 CO -0.01 0.35 1.09 -1.25 -0.49 0.00 0.00 175.26 174.96 1wft s PRO 29 N -2.46 1.07 0.42 0.39 0.04 -1.26 -3.67 135.00 129.52 1wft s PRO 29 Ca 0.15 0.75 -0.24 0.00 0.04 0.00 0.00 61.00 61.70 1wft s PRO 29 Cb -0.08 -1.79 -0.08 0.00 0.04 0.00 0.00 34.50 32.59 1wft s PRO 29 CO 0.07 -2.35 1.18 -1.25 0.04 0.00 0.00 177.00 174.68 1wft s PRO 30 N -4.94 3.93 0.06 0.56 0.04 -1.26 -4.61 135.00 128.78 1wft s PRO 30 Ca 0.64 1.84 -0.16 0.00 0.04 0.00 0.00 61.00 63.36 1wft s PRO 30 Cb -0.18 -2.58 -0.18 0.00 0.04 0.00 0.00 34.50 31.60 1wft s PRO 30 CO 0.57 -0.43 1.24 0.00 0.04 0.00 0.00 177.00 178.42 1wft h THR 31 N 2.16 1.33 -2.55 1.26 1.03 -1.95 -3.46 112.91 110.73 1wft h THR 31 Ca -0.49 -1.96 -0.58 0.00 -0.01 0.00 0.00 66.41 63.37 1wft h THR 31 Cb 1.24 2.19 0.19 0.00 -1.07 0.00 0.00 68.15 70.70 1wft h THR 31 CO 0.62 0.60 -0.92 -1.54 -0.01 0.00 0.00 175.52 174.27 1wft n SER 32 N -4.07 -2.89 -4.55 0.00 3.41 -1.26 -4.77 113.62 99.49 1wft n SER 32 Ca -0.09 0.56 -0.38 0.00 -0.26 0.00 0.00 58.87 58.71 1wft n SER 32 Cb 0.70 -1.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.62 1wft n SER 32 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1wft s PRO 33 N -1.93 2.62 -0.08 4.33 0.04 -1.26 -4.75 135.00 133.96 1wft s PRO 33 Ca 0.58 0.55 -0.09 0.00 0.04 0.00 0.00 61.00 62.07 1wft s PRO 33 Cb -0.38 -4.43 -0.04 0.00 0.04 0.00 0.00 34.50 29.68 1wft s PRO 33 CO 0.65 -2.78 -0.20 -1.13 0.04 0.00 0.00 177.00 173.58 1wft n SER 34 N 12.83 1.45 0.00 6.66 3.41 -1.26 -5.09 113.62 131.62 1wft n SER 34 Ca 0.22 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 1wft n SER 34 Cb 0.52 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 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 2.26 1.03 3.56 5.00 0.00 -1.26 -4.92 105.19 110.86 1wft n GLY 35 Ca -0.14 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 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 6.31 -0.33 1.61 0.01 -1.26 -5.04 114.94 112.24 1wft s ASN 36 Ca 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 52.86 52.13 1wft s ASN 36 Cb 0.00 -2.26 0.06 0.00 0.41 0.00 0.00 41.25 39.46 1wft s ASN 36 CO 0.00 -0.44 0.05 -0.63 -1.51 0.00 0.00 177.10 174.57 1wft s ILE 37 N 2.33 3.16 1.11 0.60 -1.09 -1.26 -4.87 121.20 121.18 1wft s ILE 37 Ca 0.18 -1.48 -0.20 0.00 -2.23 0.00 0.00 60.65 56.93 1wft s ILE 37 Cb -0.16 -2.88 0.08 0.00 -1.58 0.00 0.00 42.46 37.92 1wft s ILE 37 CO 0.13 -0.23 -0.15 0.18 -1.23 0.00 0.00 174.94 173.64 1wft n LEU 38 N 4.64 -2.35 -4.20 2.97 4.77 -1.06 -4.84 117.00 116.92 1wft n LEU 38 Ca -0.11 -0.15 -0.37 0.00 -0.03 0.00 0.00 56.01 55.36 1wft n LEU 38 Cb 0.43 -0.89 0.04 0.00 -2.33 0.00 0.00 43.42 40.68 1wft n LEU 38 CO 0.28 -3.02 -0.74 -0.62 -1.33 0.00 0.00 177.39 171.96 1wft n GLU 39 N -1.59 0.03 -2.55 3.23 1.02 -1.26 -4.58 120.64 114.95 1wft n GLU 39 Ca 0.01 0.02 -0.23 0.00 -0.02 0.00 0.00 57.16 56.94 1wft n GLU 39 Cb 0.62 -1.24 0.04 0.00 -0.02 0.00 0.00 31.44 30.84 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 2.94 -0.04 -0.32 2.02 -0.38 -4.42 117.35 115.13 1wft s TYR 40 Ca 0.52 0.17 -0.02 0.00 -0.37 0.00 0.00 57.07 57.37 1wft s TYR 40 Cb -0.31 -2.82 0.02 0.00 -0.40 0.00 0.00 41.96 38.45 1wft s TYR 40 CO 0.72 -0.96 0.08 -1.54 -1.57 0.00 0.00 175.55 172.28 1wft s SER 41 N -4.42 -0.05 -0.08 2.29 1.04 -1.23 -3.98 113.70 107.27 1wft s SER 41 Ca 0.57 0.16 0.04 0.00 0.48 0.00 0.00 55.95 57.20 1wft s SER 41 Cb -0.10 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.12 1wft s SER 41 CO 0.40 -0.09 -0.20 0.00 0.98 0.00 0.00 173.24 174.34 1wft s ALA 42 N 0.63 1.81 0.29 5.32 0.00 -1.19 -3.56 121.76 125.06 1wft s ALA 42 Ca -0.05 -0.78 0.10 0.00 0.00 0.00 0.00 51.96 51.23 1wft s ALA 42 Cb -0.07 -0.68 -0.05 0.00 0.00 0.00 0.00 23.12 22.32 1wft s ALA 42 CO -0.02 0.25 -0.14 0.71 0.00 0.00 0.00 175.76 176.56 1wft s TYR 43 N 0.33 2.17 -0.12 0.00 1.51 -1.15 -0.52 117.35 119.58 1wft s TYR 43 Ca -0.14 -0.48 -0.08 0.00 -1.01 0.00 0.00 57.07 55.37 1wft s TYR 43 Cb -0.16 -1.09 0.04 0.00 -0.11 0.00 0.00 41.96 40.64 1wft s TYR 43 CO 0.06 0.55 0.29 -1.17 -1.11 0.00 0.00 175.55 174.17 1wft s LEU 44 N -3.50 0.54 0.42 -1.29 2.96 0.48 -3.60 118.68 114.71 1wft s LEU 44 Ca 0.29 0.60 -0.26 0.00 -0.22 0.00 0.00 54.13 54.54 1wft s LEU 44 Cb -0.01 0.92 -0.09 0.00 0.50 0.00 0.00 46.19 47.52 1wft s LEU 44 CO 0.14 -0.14 1.38 0.00 -1.32 0.00 0.00 176.35 176.40 1wft s ALA 45 N 0.83 3.29 0.30 5.97 0.00 -1.26 0.05 121.76 130.93 1wft s ALA 45 Ca -0.06 1.37 0.02 0.00 0.00 0.00 0.00 51.96 53.30 1wft s ALA 45 Cb -0.07 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 1wft s ALA 45 CO -0.06 -1.01 0.12 0.96 0.00 0.00 0.00 175.76 175.78 1wft s ILE 46 N -1.22 0.51 -1.57 0.00 -0.00 -1.22 -2.37 121.20 115.33 1wft s ILE 46 Ca 0.58 -2.00 -0.16 0.00 -0.00 0.00 0.00 60.65 59.07 1wft s ILE 46 Cb -0.42 -2.57 0.16 0.00 -0.00 0.00 0.00 42.46 39.64 1wft s ILE 46 CO 0.54 0.00 0.40 -1.14 -0.00 0.00 0.00 174.94 174.74 1wft n ARG 47 N -0.57 -0.79 -3.46 0.37 0.63 -1.24 -0.05 116.66 111.55 1wft n ARG 47 Ca -0.00 0.11 -0.26 0.00 -0.92 0.00 0.00 57.85 56.78 1wft n ARG 47 Cb 0.66 -3.86 -0.05 0.00 0.45 0.00 0.00 32.46 29.65 1wft n ARG 47 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1wft n THR 48 N -3.69 -0.08 -3.59 5.15 5.66 -1.26 0.09 114.28 116.55 1wft n THR 48 Ca 0.02 -0.04 -0.23 0.00 -3.05 0.00 0.00 64.05 60.75 1wft n THR 48 Cb 0.44 -0.36 -0.06 0.00 -1.55 0.00 0.00 70.33 68.80 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 -2.82 -1.30 -1.63 1.79 0.00 0.93 -4.69 120.51 112.79 1wft n ALA 49 Ca 0.04 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 1wft n ALA 49 Cb 0.30 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.77 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 -5.51 2.93 0.50 0.00 0.74 0.11 -4.84 119.66 113.60 1wft s GLN 50 Ca 0.22 1.85 0.01 0.00 0.05 0.00 0.00 55.36 57.49 1wft s GLN 50 Cb -0.13 -4.40 -0.01 0.00 1.10 0.00 0.00 33.01 29.57 1wft s GLN 50 CO 0.65 -2.33 0.04 -1.64 -0.55 0.00 0.00 175.29 171.46 1wft s MET 51 N 6.69 2.16 1.01 1.67 -1.94 -1.26 -5.12 119.30 122.50 1wft s MET 51 Ca 0.98 -2.38 -0.21 0.00 -1.71 0.00 0.00 55.69 52.37 1wft s MET 51 Cb -0.29 -1.27 -0.13 0.00 2.01 0.00 0.00 34.83 35.15 1wft s MET 51 CO 0.33 -0.43 -0.95 1.04 -0.01 0.00 0.00 175.02 175.00 1wft n GLN 52 N -1.21 -0.18 -0.28 2.03 6.02 -1.26 -4.74 117.38 117.77 1wft n GLN 52 Ca -0.17 -0.05 -0.07 0.00 -0.01 0.00 0.00 57.00 56.70 1wft n GLN 52 Cb 0.66 -1.14 -0.07 0.00 1.02 0.00 0.00 30.24 30.72 1wft n GLN 52 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1wft n ASP 53 N 2.61 -0.70 -4.71 1.08 5.75 -1.26 -4.38 116.55 114.93 1wft n ASP 53 Ca -0.01 1.21 -0.35 0.00 -0.01 0.00 0.00 54.79 55.63 1wft n ASP 53 Cb 0.65 -0.17 0.10 0.00 -1.03 0.00 0.00 41.12 40.66 1wft n ASP 53 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1wft s ASN 54 N -5.22 4.11 0.52 -1.12 4.22 -1.26 -4.97 114.94 111.22 1wft s ASN 54 Ca -0.08 2.50 -0.20 0.00 -2.14 0.00 0.00 52.86 52.94 1wft s ASN 54 Cb 0.07 -2.60 -0.06 0.00 1.28 0.00 0.00 41.25 39.94 1wft s ASN 54 CO 0.41 -2.33 1.14 -2.16 -2.04 0.00 0.00 177.10 172.12 1wft s PRO 55 N -3.75 3.47 0.08 3.55 0.04 -1.26 -4.82 135.00 132.31 1wft s PRO 55 Ca 0.78 1.65 -0.10 0.00 0.04 0.00 0.00 61.00 63.37 1wft s PRO 55 Cb -0.33 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.10 1wft s PRO 55 CO 0.45 -0.77 0.23 0.45 0.04 0.00 0.00 177.00 177.41 1wft s SER 56 N -1.66 0.03 1.04 6.66 0.15 -1.26 -5.04 113.70 113.63 1wft s SER 56 Ca 0.70 -0.51 -0.16 0.00 0.70 0.00 0.00 55.95 56.68 1wft s SER 56 Cb -0.25 0.35 0.14 0.00 -1.71 0.00 0.00 66.02 64.55 1wft s SER 56 CO 0.29 -0.71 0.15 0.00 1.20 0.00 0.00 173.24 174.17 1wft n GLN 57 N 0.09 -2.04 -4.67 5.44 10.64 -1.26 -4.98 117.38 120.59 1wft n GLN 57 Ca -0.16 -0.60 -0.33 0.00 -1.83 0.00 0.00 57.00 54.08 1wft n GLN 57 Cb 0.62 -1.51 -0.15 0.00 -0.86 0.00 0.00 30.24 28.34 1wft n GLN 57 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1wft s LEU 58 N 0.07 2.56 -0.49 2.61 1.43 -1.26 -4.89 118.68 118.72 1wft s LEU 58 Ca 0.42 -0.41 -0.26 0.00 -1.03 0.00 0.00 54.13 52.85 1wft s LEU 58 Cb -0.07 -1.58 0.03 0.00 0.03 0.00 0.00 46.19 44.61 1wft s LEU 58 CO 0.44 0.12 0.96 -0.69 0.23 0.00 0.00 176.35 177.41 1wft s VAL 59 N 0.60 4.41 -0.32 -1.59 1.01 -1.26 -4.95 120.40 118.30 1wft s VAL 59 Ca -0.09 0.70 -0.21 0.00 0.00 0.00 0.00 61.98 62.39 1wft s VAL 59 Cb -0.16 -4.49 -0.00 0.00 0.00 0.00 0.00 36.38 31.73 1wft s VAL 59 CO 0.03 -0.93 0.67 -0.36 0.00 0.00 0.00 175.10 174.50 1wft s PHE 60 N 3.92 3.20 0.09 5.22 0.40 -1.26 -3.44 117.98 126.11 1wft s PHE 60 Ca 0.37 0.59 -0.21 0.00 -0.60 0.00 0.00 56.93 57.09 1wft s PHE 60 Cb -0.10 -3.07 -0.07 0.00 0.51 0.00 0.00 43.02 40.29 1wft s PHE 60 CO 0.25 -0.53 0.61 0.00 0.70 0.00 0.00 175.22 176.26 1wft s MET 61 N 2.71 4.28 -0.06 0.44 0.23 0.11 -4.30 119.30 122.71 1wft s MET 61 Ca 0.27 0.82 -0.36 0.00 -1.03 0.00 0.00 55.69 55.39 1wft s MET 61 Cb -0.15 -3.25 -0.13 0.00 -1.53 0.00 0.00 34.83 29.77 1wft s MET 61 CO 0.13 0.62 1.74 -2.13 -2.03 0.00 0.00 175.02 173.34 1wft n ARG 62 N 1.74 1.87 -0.08 3.16 0.63 -1.26 -0.38 116.66 122.34 1wft n ARG 62 Ca -0.09 0.68 -0.10 0.00 -0.92 0.00 0.00 57.85 57.42 1wft n ARG 62 Cb 0.50 -2.46 -0.09 0.00 0.45 0.00 0.00 32.46 30.86 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 4.41 0.99 -4.68 5.15 -5.35 0.32 -4.88 119.36 115.33 1wft n ILE 63 Ca 0.22 -0.47 -0.23 0.00 -0.27 0.00 0.00 62.75 61.99 1wft n ILE 63 Cb 0.25 -0.93 -0.15 0.00 -1.74 0.00 0.00 39.64 37.07 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 -2.35 1.35 -0.16 4.28 5.04 -1.21 -5.06 117.35 119.24 1wft s TYR 64 Ca -0.17 -0.30 -0.00 0.00 -2.44 0.00 0.00 57.07 54.16 1wft s TYR 64 Cb 0.05 -0.89 0.03 0.00 0.35 0.00 0.00 41.96 41.51 1wft s TYR 64 CO 0.48 -0.06 -0.08 0.00 -1.34 0.00 0.00 175.55 174.54 1wft n GLY 66 N 4.84 -0.57 0.13 0.00 0.00 -1.26 -5.05 105.19 103.28 1wft n GLY 66 Ca -0.14 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 2.48 -3.98 0.99 -0.00 -1.26 -1.25 117.00 113.98 1wft n LEU 67 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.60 1wft n LEU 67 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.41 1wft n LEU 67 CO 0.00 0.41 -0.23 1.17 -0.00 0.00 0.00 177.39 178.74 1wft n LYS 68 N -2.51 0.00 -0.51 1.47 3.00 -1.26 -4.34 118.16 114.00 1wft n LYS 68 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.30 1wft n LYS 68 Cb 0.47 -0.92 0.00 0.00 0.00 0.00 0.00 35.03 34.59 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 -0.53 2.02 -3.61 3.15 -2.24 -1.26 -4.78 114.28 107.04 1wft n THR 69 Ca 0.13 -0.56 -0.04 0.00 -2.27 0.00 0.00 64.05 61.31 1wft n THR 69 Cb 0.31 -1.48 -0.03 0.00 -2.10 0.00 0.00 70.33 67.04 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 1.85 -0.11 0.30 3.42 0.15 -1.26 -2.45 113.70 115.60 1wft s SER 70 Ca 0.02 0.03 -0.18 0.00 0.70 0.00 0.00 55.95 56.52 1wft s SER 70 Cb 0.02 0.11 0.02 0.00 -1.71 0.00 0.00 66.02 64.46 1wft s SER 70 CO -0.00 -0.17 0.69 0.00 1.20 0.00 0.00 173.24 174.95 1wft s THR 72 N -3.61 1.75 -0.11 0.00 2.01 -1.26 -0.93 115.64 113.50 1wft s THR 72 Ca 0.14 -0.91 -0.02 0.00 0.31 0.00 0.00 61.69 61.22 1wft s THR 72 Cb -0.05 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.95 1wft s THR 72 CO 0.09 0.49 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.79 1wft s VAL 73 N -0.18 3.97 0.07 3.82 1.01 -0.04 -4.93 120.40 124.12 1wft s VAL 73 Ca -0.01 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 61.51 1wft s VAL 73 Cb -0.12 -2.68 -0.06 0.00 0.00 0.00 0.00 36.38 33.53 1wft s VAL 73 CO 0.02 0.56 0.41 0.42 0.00 0.00 0.00 175.10 176.51 1wft s THR 74 N -0.40 5.08 0.20 3.92 -4.23 -1.26 -1.23 115.64 117.72 1wft s THR 74 Ca 0.07 0.51 -0.19 0.00 -1.18 0.00 0.00 61.69 60.90 1wft s THR 74 Cb -0.12 -3.66 0.17 0.00 1.34 0.00 0.00 72.50 70.23 1wft s THR 74 CO 0.02 0.32 1.58 0.00 -0.54 0.00 0.00 174.62 176.01 1wft h ALA 75 N 3.82 0.08 -0.75 3.99 0.00 -1.96 0.15 119.26 124.59 1wft h ALA 75 Ca -0.49 0.20 0.23 0.00 0.00 0.00 0.00 54.91 54.85 1wft h ALA 75 Cb 1.20 0.78 -0.14 0.00 0.00 0.00 0.00 17.79 19.63 1wft h ALA 75 CO 0.66 -0.62 0.11 0.41 0.00 0.00 0.00 179.25 179.80 1wft n GLY 76 N -1.45 -0.91 0.13 0.00 0.00 -1.26 0.11 105.19 101.81 1wft n GLY 76 Ca 0.06 0.71 -0.16 0.00 0.00 0.00 0.00 46.02 46.62 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 0.36 -1.22 1.61 4.20 -1.38 -3.24 115.11 115.44 1wft h GLN 77 Ca 0.50 -0.35 0.39 0.00 0.06 0.00 0.00 58.65 59.25 1wft h GLN 77 Cb 1.13 0.09 -0.13 0.00 0.30 0.00 0.00 27.48 28.87 1wft h GLN 77 CO -0.68 1.02 0.77 -0.07 -0.67 0.00 0.00 178.83 179.21 1wft h LEU 78 N -0.17 0.31 -0.90 1.46 3.38 0.11 0.78 115.31 120.27 1wft h LEU 78 Ca -0.05 0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.15 1wft h LEU 78 Cb 1.17 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.96 1wft h LEU 78 CO 0.09 -0.14 0.55 0.00 0.09 0.00 0.00 178.44 179.03 1wft h ALA 79 N 1.65 1.30 0.00 1.53 0.00 -1.42 -0.55 119.26 121.77 1wft h ALA 79 Ca 0.77 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.60 1wft h ALA 79 Cb 2.28 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.86 1wft h ALA 79 CO -0.43 0.22 -0.44 -2.95 0.00 0.00 0.00 179.25 175.65 1wft h ASN 80 N 0.94 0.00 -2.21 0.00 7.08 0.39 -3.45 115.58 118.33 1wft h ASN 80 Ca 0.42 0.00 -0.59 0.00 -3.08 0.00 0.00 56.30 53.05 1wft h ASN 80 Cb 0.33 0.00 0.06 0.00 -2.08 0.00 0.00 38.32 36.62 1wft h ASN 80 CO -0.23 0.44 0.78 0.00 -2.08 0.00 0.00 177.43 176.34 1wft n ALA 81 N -2.26 1.14 -1.90 4.14 0.00 -0.22 -3.63 120.51 117.78 1wft n ALA 81 Ca 0.01 0.44 -0.41 0.00 0.00 0.00 0.00 53.44 53.48 1wft n ALA 81 Cb 0.61 -2.34 -0.03 0.00 0.00 0.00 0.00 19.45 17.69 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 1.05 3.33 -0.50 0.00 2.46 -1.00 -4.94 115.29 115.68 1wft s HIS 82 Ca 0.80 1.43 -0.11 0.00 0.47 0.00 0.00 55.06 57.65 1wft s HIS 82 Cb -0.70 -3.50 0.12 0.00 -0.13 0.00 0.00 32.58 28.37 1wft s HIS 82 CO 0.39 -1.39 0.40 0.42 -2.47 0.00 0.00 174.74 172.10 1wft s ILE 83 N -0.54 4.52 -0.70 0.89 -1.09 -1.26 -3.87 121.20 119.14 1wft s ILE 83 Ca 0.51 -1.73 -0.26 0.00 -2.23 0.00 0.00 60.65 56.94 1wft s ILE 83 Cb -0.35 -3.95 0.00 0.00 -1.58 0.00 0.00 42.46 36.58 1wft s ILE 83 CO 0.42 -0.81 1.63 -0.62 -1.23 0.00 0.00 174.94 174.33 1wft s ASP 84 N 2.92 5.66 -0.03 3.58 2.15 -1.01 -4.82 116.67 125.12 1wft s ASP 84 Ca 0.05 -0.13 0.02 0.00 0.43 0.00 0.00 52.55 52.92 1wft s ASP 84 Cb -0.27 -2.55 0.10 0.00 -0.30 0.00 0.00 42.92 39.90 1wft s ASP 84 CO 0.00 -2.16 0.67 -1.22 -0.17 0.00 0.00 175.17 172.30 1wft n TYR 85 N 11.38 0.25 -1.15 -5.34 4.01 -1.26 -3.39 117.16 121.66 1wft n TYR 85 Ca 0.16 -0.09 -0.26 0.00 -0.16 0.00 0.00 57.90 57.55 1wft n TYR 85 Cb 0.50 -0.14 -0.12 0.00 -0.31 0.00 0.00 39.34 39.27 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 0.06 0.00 -1.96 -0.72 -2.24 -1.26 -3.32 114.28 104.84 1wft n THR 86 Ca 0.03 -0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.64 1wft n THR 86 Cb 0.35 -2.00 -0.04 0.00 -2.10 0.00 0.00 70.33 66.55 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 15.65 -4.81 -3.15 3.42 7.64 -1.26 -4.86 113.62 126.26 1wft n SER 87 Ca 0.43 0.25 0.06 0.00 1.01 0.00 0.00 58.87 60.62 1wft n SER 87 Cb 0.45 -4.17 -0.01 0.00 -1.01 0.00 0.00 64.21 59.47 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 -4.25 0.01 -0.80 1.43 3.52 -1.21 -5.10 118.95 112.55 1wft s ARG 88 Ca 0.00 0.02 -0.25 0.00 -0.13 0.00 0.00 55.73 55.37 1wft s ARG 88 Cb 0.00 0.01 -0.04 0.00 -1.56 0.00 0.00 34.95 33.36 1wft s ARG 88 CO 0.00 -0.02 1.91 -1.25 -0.81 0.00 0.00 175.30 175.14 1wft s PRO 89 N 3.00 2.58 0.22 5.12 0.04 -1.26 -4.25 135.00 140.46 1wft s PRO 89 Ca 0.11 0.03 -0.03 0.00 0.04 0.00 0.00 61.00 61.15 1wft s PRO 89 Cb -0.04 -4.82 -0.03 0.00 0.04 0.00 0.00 34.50 29.65 1wft s PRO 89 CO -0.14 -3.15 0.21 0.00 0.04 0.00 0.00 177.00 173.96 1wft s ALA 90 N 9.71 0.95 -0.14 8.56 0.00 -1.22 -3.26 121.76 136.37 1wft s ALA 90 Ca 0.69 -1.57 -0.07 0.00 0.00 0.00 0.00 51.96 51.00 1wft s ALA 90 Cb -0.09 1.33 -0.04 0.00 0.00 0.00 0.00 23.12 24.32 1wft s ALA 90 CO 0.07 -0.65 0.12 0.42 0.00 0.00 0.00 175.76 175.72 1wft s ILE 91 N -4.06 5.32 0.07 0.00 1.01 0.08 -2.39 121.20 121.24 1wft s ILE 91 Ca 0.36 0.15 -0.15 0.00 0.00 0.00 0.00 60.65 61.01 1wft s ILE 91 Cb 0.05 -3.35 -0.06 0.00 0.01 0.00 0.00 42.46 39.11 1wft s ILE 91 CO 0.13 0.56 0.48 -0.69 0.00 0.00 0.00 174.94 175.42 1wft s VAL 92 N -0.57 4.93 0.20 2.92 1.01 -1.25 -0.51 120.40 127.13 1wft s VAL 92 Ca 0.12 0.85 0.00 0.00 0.00 0.00 0.00 61.98 62.95 1wft s VAL 92 Cb -0.12 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1wft s VAL 92 CO 0.02 0.43 0.08 -0.36 0.00 0.00 0.00 175.10 175.26 1wft s PHE 93 N -1.25 1.23 -0.17 5.22 0.08 -0.58 -4.52 117.98 117.99 1wft s PHE 93 Ca 0.31 -1.21 -0.15 0.00 0.12 0.00 0.00 56.93 55.99 1wft s PHE 93 Cb -0.16 -0.68 0.04 0.00 -0.57 0.00 0.00 43.02 41.65 1wft s PHE 93 CO 0.17 -0.43 0.44 1.03 -0.10 0.00 0.00 175.22 176.33 1wft s ARG 94 N -4.05 0.51 -0.07 0.44 0.52 -1.24 -2.98 118.95 112.09 1wft s ARG 94 Ca 0.33 0.62 -0.06 0.00 -0.52 0.00 0.00 55.73 56.10 1wft s ARG 94 Cb 0.07 0.24 0.02 0.00 0.52 0.00 0.00 34.95 35.80 1wft s ARG 94 CO 0.09 -0.07 0.18 0.42 0.02 0.00 0.00 175.30 175.95 1wft s ILE 95 N 0.28 -0.00 0.19 1.52 1.01 -1.07 -2.94 121.20 120.19 1wft s ILE 95 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 60.65 60.53 1wft s ILE 95 Cb -0.03 -0.26 0.00 0.00 0.01 0.00 0.00 42.46 42.18 1wft s ILE 95 CO 0.00 0.00 0.37 -0.55 0.00 0.00 0.00 174.94 174.76 1wft s SER 96 N 0.10 -0.05 0.35 3.58 0.15 -1.23 -2.45 113.70 114.14 1wft s SER 96 Ca -0.00 -0.79 0.09 0.00 0.70 0.00 0.00 55.95 55.94 1wft s SER 96 Cb -0.01 0.49 -0.05 0.00 -1.71 0.00 0.00 66.02 64.74 1wft s SER 96 CO 0.00 -0.97 0.04 0.00 1.20 0.00 0.00 173.24 173.51 1wft s ALA 97 N -3.96 3.26 -0.15 5.45 0.00 -1.26 -3.58 121.76 121.53 1wft s ALA 97 Ca 0.16 -1.96 0.00 0.00 0.00 0.00 0.00 51.96 50.17 1wft s ALA 97 Cb 0.02 -0.41 0.03 0.00 0.00 0.00 0.00 23.12 22.76 1wft s ALA 97 CO 0.01 0.05 -0.10 0.21 0.00 0.00 0.00 175.76 175.92 1wft s LYS 98 N -3.74 1.92 -0.14 0.00 2.20 -1.26 -4.06 119.74 114.65 1wft s LYS 98 Ca 0.35 -0.51 0.13 0.00 -0.36 0.00 0.00 55.97 55.59 1wft s LYS 98 Cb 0.00 -1.99 0.62 0.00 -1.51 0.00 0.00 37.83 34.95 1wft s LYS 98 CO 0.20 -0.30 1.48 0.09 -0.36 0.00 0.00 175.35 176.45 1wft n ASN 99 N 4.82 4.35 -1.05 1.43 3.02 -1.26 -2.58 115.26 124.00 1wft n ASN 99 Ca -0.15 -2.55 -0.10 0.00 -0.03 0.00 0.00 54.58 51.76 1wft n ASN 99 Cb 0.49 -0.58 -0.01 0.00 -0.61 0.00 0.00 39.78 39.07 1wft n ASN 99 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1wft n GLU 100 N 0.68 -0.76 0.00 3.52 2.13 -1.26 -4.84 120.64 120.10 1wft n GLU 100 Ca 0.21 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.57 1wft n GLU 100 Cb 0.87 -4.56 0.00 0.00 0.27 0.00 0.00 31.44 28.02 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 -2.08 0.00 0.00 5.31 4.76 -1.26 -5.11 118.16 119.78 1wft n LYS 101 Ca -0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 1wft n LYS 101 Cb 0.54 -0.47 0.00 0.00 -1.84 0.00 0.00 35.03 33.26 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 2.01 0.71 2.44 0.72 0.00 -1.26 -5.12 105.19 104.69 1wft n GLY 102 Ca 0.00 0.57 -0.42 0.00 0.00 0.00 0.00 46.02 46.16 1wft n GLY 102 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wft n TYR 103 N 0.00 0.68 0.00 1.61 4.01 -1.26 -4.74 117.16 117.46 1wft n TYR 103 Ca 0.00 0.74 0.00 0.00 -0.16 0.00 0.00 57.90 58.48 1wft n TYR 103 Cb 0.00 -1.46 0.00 0.00 -0.31 0.00 0.00 39.34 37.57 1wft n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wft n GLY 104 N 1.57 1.28 3.77 2.72 0.00 -1.26 -5.03 105.19 108.24 1wft n GLY 104 Ca 0.16 -1.42 -0.38 0.00 0.00 0.00 0.00 46.02 44.38 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 2.06 3.86 -0.19 1.61 0.04 -1.26 -4.98 135.00 136.15 1wft s PRO 105 Ca 0.00 1.81 -0.02 0.00 0.04 0.00 0.00 61.00 62.84 1wft s PRO 105 Cb 0.00 -2.51 -0.00 0.00 0.04 0.00 0.00 34.50 32.03 1wft s PRO 105 CO 0.00 -0.47 -0.10 0.00 0.04 0.00 0.00 177.00 176.46 1wft s ALA 106 N -1.49 2.64 0.37 8.56 0.00 -1.26 -4.70 121.76 125.88 1wft s ALA 106 Ca 0.61 -1.11 -0.25 0.00 0.00 0.00 0.00 51.96 51.21 1wft s ALA 106 Cb -0.30 -1.45 -0.09 0.00 0.00 0.00 0.00 23.12 21.29 1wft s ALA 106 CO 0.37 -0.23 1.06 0.99 0.00 0.00 0.00 175.76 177.95 1wft s THR 107 N 1.13 3.66 0.28 0.00 2.01 -1.03 -4.83 115.64 116.87 1wft s THR 107 Ca 0.01 1.36 0.10 0.00 0.31 0.00 0.00 61.69 63.47 1wft s THR 107 Cb -0.14 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 1wft s THR 107 CO -0.03 0.10 -0.02 -1.58 -0.69 0.00 0.00 174.62 172.39 1wft s GLN 108 N -2.24 2.20 -0.08 4.92 0.74 -1.26 -2.61 119.66 121.34 1wft s GLN 108 Ca 0.55 -1.49 -0.30 0.00 0.05 0.00 0.00 55.36 54.17 1wft s GLN 108 Cb -0.24 -2.10 0.07 0.00 1.10 0.00 0.00 33.01 31.84 1wft s GLN 108 CO 0.31 0.34 0.67 -1.50 -0.55 0.00 0.00 175.29 174.55 1wft s ILE 109 N -2.37 0.00 -0.26 -2.34 2.07 -1.16 -4.97 121.20 112.17 1wft s ILE 109 Ca 0.32 -0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.55 1wft s ILE 109 Cb -0.06 -0.98 0.05 0.00 0.13 0.00 0.00 42.46 41.60 1wft s ILE 109 CO 0.19 -0.01 -0.08 -0.13 -1.91 0.00 0.00 174.94 173.01 1wft s ARG 110 N -1.00 2.43 -0.45 3.50 3.00 -1.26 -1.52 118.95 123.65 1wft s ARG 110 Ca -0.10 -1.24 -0.13 0.00 0.00 0.00 0.00 55.73 54.26 1wft s ARG 110 Cb -0.01 -2.97 0.07 0.00 0.00 0.00 0.00 34.95 32.05 1wft s ARG 110 CO 0.09 -0.54 0.34 -0.46 0.00 0.00 0.00 175.30 174.73 1wft s TRP 111 N 1.19 3.27 1.07 -0.53 -0.00 0.33 -4.79 118.94 119.49 1wft s TRP 111 Ca -0.06 -1.11 -0.18 0.00 -0.00 0.00 0.00 56.10 54.76 1wft s TRP 111 Cb -0.19 -3.06 0.06 0.00 -0.00 0.00 0.00 33.47 30.28 1wft s TRP 111 CO -0.04 -0.80 -0.01 1.28 -0.00 0.00 0.00 176.95 177.37 1wft n LEU 112 N 5.10 -1.94 0.01 5.86 4.77 -1.26 -0.74 117.00 128.81 1wft n LEU 112 Ca -0.12 0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.76 1wft n LEU 112 Cb 0.44 -0.99 -0.09 0.00 -2.33 0.00 0.00 43.42 40.45 1wft n LEU 112 CO 0.44 -3.28 0.44 1.56 -1.33 0.00 0.00 177.39 175.22 1wft h GLN 113 N -1.85 -0.12 0.00 3.23 4.20 -1.93 -3.43 115.11 115.22 1wft h GLN 113 Ca -0.50 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.22 1wft h GLN 113 Cb 1.34 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.15 1wft h GLN 113 CO 0.36 0.41 0.00 0.41 -0.67 0.00 0.00 178.83 179.34 1wft n GLY 114 N 0.72 1.72 3.82 3.46 0.00 -1.26 -4.85 105.19 108.80 1wft n GLY 114 Ca -0.08 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 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 -4.00 4.39 0.01 1.61 0.01 -1.26 -5.16 114.94 110.54 1wft s ASN 115 Ca 0.00 -1.40 -0.28 0.00 -0.71 0.00 0.00 52.86 50.47 1wft s ASN 115 Cb 0.00 0.36 0.10 0.00 0.41 0.00 0.00 41.25 42.11 1wft s ASN 115 CO 0.00 -0.93 0.84 -0.55 -1.51 0.00 0.00 177.10 174.95 1wft s SER 116 N -4.06 -0.40 0.01 -1.22 0.15 -1.26 -5.00 113.70 101.90 1wft s SER 116 Ca 0.23 0.04 -0.28 0.00 0.70 0.00 0.00 55.95 56.64 1wft s SER 116 Cb 0.00 0.42 0.08 0.00 -1.71 0.00 0.00 66.02 64.81 1wft s SER 116 CO 0.14 -0.66 0.74 -0.75 1.20 0.00 0.00 173.24 173.91 1wft s LYS 117 N -3.07 1.01 0.18 5.44 2.47 -1.26 -5.18 119.74 119.34 1wft s LYS 117 Ca 0.04 -0.08 0.09 0.00 -1.56 0.00 0.00 55.97 54.46 1wft s LYS 117 Cb -0.01 0.47 -0.04 0.00 -1.46 0.00 0.00 37.83 36.79 1wft s LYS 117 CO -0.09 -0.38 -0.18 -1.12 0.16 0.00 0.00 175.35 173.74 1wft s SER 118 N -1.88 2.78 -0.11 1.43 0.01 -1.26 -4.85 113.70 109.82 1wft s SER 118 Ca -0.03 -0.90 -0.05 0.00 1.31 0.00 0.00 55.95 56.28 1wft s SER 118 Cb -0.01 -0.17 0.05 0.00 0.21 0.00 0.00 66.02 66.11 1wft s SER 118 CO -0.02 -0.04 0.25 -0.83 0.41 0.00 0.00 173.24 173.02 1wft s GLY 119 N -2.82 -0.13 0.80 3.44 0.00 -1.26 -5.16 107.32 102.19 1wft s GLY 119 Ca 0.18 0.98 -0.11 0.00 0.00 0.00 0.00 44.72 45.77 1wft s GLY 119 CO 0.07 1.53 1.09 2.56 0.00 0.00 0.00 173.10 178.35 1wft s PRO 120 N 1.70 2.06 0.10 2.90 0.04 -1.26 -5.07 135.00 135.47 1wft s PRO 120 Ca -0.05 1.10 -0.26 0.00 0.04 0.00 0.00 61.00 61.83 1wft s PRO 120 Cb -0.11 -1.88 0.08 0.00 0.04 0.00 0.00 34.50 32.63 1wft s PRO 120 CO -0.09 -1.76 0.79 -1.12 0.04 0.00 0.00 177.00 174.87 1wft s SER 121 N -3.40 -0.39 0.10 6.66 0.01 -1.26 -5.18 113.70 110.25 1wft s SER 121 Ca 0.62 -0.13 0.10 0.00 1.31 0.00 0.00 55.95 57.84 1wft s SER 121 Cb -0.17 0.50 -0.04 0.00 0.21 0.00 0.00 66.02 66.52 1wft s SER 121 CO 0.56 -0.85 -0.23 -0.94 0.41 0.00 0.00 173.24 172.19 1wft s SER 122 N -2.68 3.49 0.00 2.44 1.04 -1.26 -5.37 113.70 111.36 1wft s SER 122 Ca 0.06 -0.63 0.18 0.00 0.48 0.00 0.00 55.95 56.04 1wft s SER 122 Cb -0.02 -0.37 1.08 0.00 0.10 0.00 0.00 66.02 66.81 1wft s SER 122 CO -0.07 0.21 1.47 0.61 0.98 0.00 0.00 173.24 176.44