#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 1.40 -0.18 1.61 0.01 -1.26 -5.10 113.70 110.17 1wft s SER 2 Ca 0.00 -1.66 -0.16 0.00 1.31 0.00 0.00 55.95 55.44 1wft s SER 2 Cb 0.00 0.63 -0.07 0.00 0.21 0.00 0.00 66.02 66.79 1wft s SER 2 CO 0.00 -1.21 -0.32 -0.24 0.41 0.00 0.00 173.24 171.88 1wft n SER 3 N -1.59 1.86 0.00 2.44 2.88 -1.26 -5.04 113.62 112.91 1wft n SER 3 Ca 0.04 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1wft n SER 3 Cb 0.62 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 63.36 1wft n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wft n GLY 4 N 1.57 -0.01 3.62 0.46 0.00 -1.26 -5.16 105.19 104.42 1wft n GLY 4 Ca -0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 1wft n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wft s SER 5 N -0.57 -0.63 -0.27 1.61 0.15 -1.26 -5.14 113.70 107.59 1wft s SER 5 Ca 0.00 1.14 -0.03 0.00 0.70 0.00 0.00 55.95 57.76 1wft s SER 5 Cb 0.00 1.13 0.03 0.00 -1.71 0.00 0.00 66.02 65.46 1wft s SER 5 CO 0.00 -0.26 -0.01 -0.44 1.20 0.00 0.00 173.24 173.73 1wft s SER 6 N 0.08 4.67 0.25 5.45 0.01 -1.26 -5.09 113.70 117.81 1wft s SER 6 Ca -0.00 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.35 1wft s SER 6 Cb -0.04 -1.74 -0.03 0.00 0.21 0.00 0.00 66.02 64.42 1wft s SER 6 CO -0.00 -0.18 0.21 -0.83 0.41 0.00 0.00 173.24 172.85 1wft s GLY 7 N 1.36 1.64 1.03 3.44 0.00 -1.26 -5.01 107.32 108.52 1wft s GLY 7 Ca -0.00 -1.74 -0.13 0.00 0.00 0.00 0.00 44.72 42.84 1wft s GLY 7 CO -0.02 -1.35 1.09 2.56 0.00 0.00 0.00 173.10 175.39 1wft s PRO 8 N -3.89 0.15 0.04 2.90 0.04 -1.26 -4.51 135.00 128.47 1wft s PRO 8 Ca 0.38 0.43 -0.24 0.00 0.04 0.00 0.00 61.00 61.60 1wft s PRO 8 Cb 0.05 -1.71 -0.06 0.00 0.04 0.00 0.00 34.50 32.82 1wft s PRO 8 CO 0.17 -2.90 0.75 0.20 0.04 0.00 0.00 177.00 175.25 1wft s GLY 9 N -3.49 2.77 0.48 0.56 0.00 -1.26 -4.45 107.32 101.92 1wft s GLY 9 Ca 0.66 0.25 -0.20 0.00 0.00 0.00 0.00 44.72 45.43 1wft s GLY 9 CO 0.58 1.04 1.01 0.00 0.00 0.00 0.00 173.10 175.73 1wft s ALA 10 N -0.10 2.92 0.07 3.20 0.00 -1.26 -4.52 121.76 122.06 1wft s ALA 10 Ca 0.38 0.53 -0.31 0.00 0.00 0.00 0.00 51.96 52.56 1wft s ALA 10 Cb -0.20 -3.22 -0.07 0.00 0.00 0.00 0.00 23.12 19.63 1wft s ALA 10 CO 0.22 -0.21 1.40 -1.25 0.00 0.00 0.00 175.76 175.92 1wft s PRO 11 N -3.27 4.31 0.42 0.00 0.04 -1.26 -4.19 135.00 131.05 1wft s PRO 11 Ca 0.66 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.80 1wft s PRO 11 Cb -0.14 -3.38 -0.03 0.00 0.04 0.00 0.00 34.50 30.98 1wft s PRO 11 CO 0.19 -0.49 0.29 0.45 0.04 0.00 0.00 177.00 177.48 1wft s SER 12 N 1.43 4.73 -1.30 6.66 0.15 -0.22 -4.71 113.70 120.44 1wft s SER 12 Ca 0.64 -0.94 -0.02 0.00 0.70 0.00 0.00 55.95 56.34 1wft s SER 12 Cb -0.35 -0.46 0.01 0.00 -1.71 0.00 0.00 66.02 63.51 1wft s SER 12 CO 0.29 -0.63 0.87 0.41 1.20 0.00 0.00 173.24 175.38 1wft n THR 13 N -1.42 -4.63 -2.66 6.45 -1.04 -1.26 -0.20 114.28 109.52 1wft n THR 13 Ca 0.01 -0.41 -0.43 0.00 -2.04 0.00 0.00 64.05 61.18 1wft n THR 13 Cb 0.63 -4.12 -0.02 0.00 -1.82 0.00 0.00 70.33 65.00 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 -3.50 4.69 0.02 12.58 1.01 -1.26 -3.88 120.40 130.05 1wft s VAL 14 Ca 0.11 2.03 0.08 0.00 0.00 0.00 0.00 61.98 64.20 1wft s VAL 14 Cb -0.05 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 1wft s VAL 14 CO 0.78 -0.16 -0.24 0.00 0.00 0.00 0.00 175.10 175.48 1wft s ARG 15 N 3.10 1.76 -0.19 2.72 1.70 0.12 -4.98 118.95 123.17 1wft s ARG 15 Ca 0.44 -0.96 0.00 0.00 -0.47 0.00 0.00 55.73 54.75 1wft s ARG 15 Cb -0.15 -1.82 0.02 0.00 -0.57 0.00 0.00 34.95 32.42 1wft s ARG 15 CO 0.07 0.48 -0.17 0.42 -1.08 0.00 0.00 175.30 175.02 1wft s ILE 16 N -0.70 2.28 -0.07 4.99 1.01 -1.26 -1.97 121.20 125.49 1wft s ILE 16 Ca 0.10 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 59.89 1wft s ILE 16 Cb -0.09 -1.98 -0.02 0.00 0.01 0.00 0.00 42.46 40.37 1wft s ILE 16 CO 0.01 0.51 -0.13 -0.55 0.00 0.00 0.00 174.94 174.78 1wft s SER 17 N 1.32 4.15 -0.27 3.58 0.15 -1.13 -5.00 113.70 116.50 1wft s SER 17 Ca 0.05 -0.18 -0.29 0.00 0.70 0.00 0.00 55.95 56.22 1wft s SER 17 Cb -0.13 -1.05 0.00 0.00 -1.71 0.00 0.00 66.02 63.13 1wft s SER 17 CO -0.11 0.32 1.22 -0.75 1.20 0.00 0.00 173.24 175.11 1wft s LYS 18 N -0.55 4.04 0.19 5.44 2.20 -1.26 -1.31 119.74 128.50 1wft s LYS 18 Ca 0.08 1.29 0.04 0.00 -0.36 0.00 0.00 55.97 57.02 1wft s LYS 18 Cb -0.12 -3.80 -0.03 0.00 -1.51 0.00 0.00 37.83 32.37 1wft s LYS 18 CO 0.02 -0.95 0.29 1.21 -0.36 0.00 0.00 175.35 175.56 1wft s ASN 19 N 2.23 6.19 0.56 1.43 2.47 0.17 -4.93 114.94 123.06 1wft s ASN 19 Ca 0.52 0.07 0.27 0.00 0.42 0.00 0.00 52.86 54.15 1wft s ASN 19 Cb -0.16 -1.81 1.63 0.00 -1.45 0.00 0.00 41.25 39.46 1wft s ASN 19 CO 0.18 0.00 2.18 0.58 -3.72 0.00 0.00 177.10 176.32 1wft h VAL 20 N 1.49 0.60 0.00 -5.21 2.07 -2.00 -0.94 116.25 112.26 1wft h VAL 20 Ca -0.50 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1wft h VAL 20 Cb 1.21 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1wft h VAL 20 CO 0.65 0.05 -0.95 -0.67 0.02 0.00 0.00 177.57 176.66 1wft n ASP 21 N -3.85 0.77 0.00 0.57 2.03 -1.26 -5.04 116.55 109.77 1wft n ASP 21 Ca -0.03 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1wft n ASP 21 Cb 0.14 0.46 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 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 1.24 -0.81 3.04 0.27 0.00 -0.36 -4.56 105.19 104.01 1wft n GLY 22 Ca 0.01 0.28 -0.23 0.00 0.00 0.00 0.00 46.02 46.08 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 1.05 -0.46 -0.61 1.01 -1.06 -0.65 121.20 120.47 1wft s ILE 23 Ca 0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 60.65 60.10 1wft s ILE 23 Cb 0.00 -0.93 0.12 0.00 0.01 0.00 0.00 42.46 41.66 1wft s ILE 23 CO 0.00 0.32 0.31 -2.28 0.00 0.00 0.00 174.94 173.29 1wft s HIS 24 N 0.32 3.47 0.05 3.97 2.46 -0.42 -0.41 115.29 124.72 1wft s HIS 24 Ca -0.07 -2.02 -0.30 0.00 0.47 0.00 0.00 55.06 53.14 1wft s HIS 24 Cb -0.12 -3.43 -0.04 0.00 -0.13 0.00 0.00 32.58 28.86 1wft s HIS 24 CO 0.02 -0.99 1.01 -1.17 -2.47 0.00 0.00 174.74 171.14 1wft s LEU 25 N 1.29 4.41 0.01 8.88 2.96 0.11 -2.85 118.68 133.49 1wft s LEU 25 Ca 0.07 1.76 -0.02 0.00 -0.22 0.00 0.00 54.13 55.72 1wft s LEU 25 Cb -0.25 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 42.85 1wft s LEU 25 CO -0.02 -0.23 0.01 -0.44 -1.32 0.00 0.00 176.35 174.36 1wft s SER 26 N 0.69 0.18 0.26 3.68 0.01 -0.83 -0.14 113.70 117.54 1wft s SER 26 Ca 0.51 -0.40 -0.17 0.00 1.31 0.00 0.00 55.95 57.20 1wft s SER 26 Cb -0.23 0.12 0.01 0.00 0.21 0.00 0.00 66.02 66.13 1wft s SER 26 CO 0.29 -0.31 0.59 -1.66 0.41 0.00 0.00 173.24 172.56 1wft s TRP 27 N -1.38 0.10 0.07 2.43 -2.14 -0.80 -0.71 118.94 116.51 1wft s TRP 27 Ca -0.15 -0.50 0.05 0.00 2.66 0.00 0.00 56.10 58.16 1wft s TRP 27 Cb -0.09 0.43 -0.04 0.00 -3.10 0.00 0.00 33.47 30.67 1wft s TRP 27 CO -0.00 -1.10 -0.05 -1.21 -2.66 0.00 0.00 176.95 171.93 1wft s GLU 28 N -3.97 2.42 0.71 3.25 0.41 0.72 -4.76 118.70 117.48 1wft s GLU 28 Ca 0.17 -0.86 -0.13 0.00 -0.41 0.00 0.00 54.97 53.74 1wft s GLU 28 Cb -0.03 -2.46 0.02 0.00 -1.78 0.00 0.00 34.13 29.89 1wft s GLU 28 CO 0.08 0.55 1.10 -1.25 -0.49 0.00 0.00 175.26 175.25 1wft s PRO 29 N -2.01 2.58 0.59 0.39 0.04 -1.26 -1.06 135.00 134.26 1wft s PRO 29 Ca 0.22 1.30 -0.18 0.00 0.04 0.00 0.00 61.00 62.38 1wft s PRO 29 Cb -0.11 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1wft s PRO 29 CO 0.14 -1.41 1.12 -1.25 0.04 0.00 0.00 177.00 175.64 1wft s PRO 30 N -4.43 3.16 0.00 0.56 0.04 -1.26 -4.59 135.00 128.47 1wft s PRO 30 Ca 0.65 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.22 1wft s PRO 30 Cb -0.19 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1wft s PRO 30 CO 0.48 -0.99 0.00 -2.37 0.04 0.00 0.00 177.00 174.15 1wft n THR 31 N -1.71 0.00 0.21 1.26 5.66 -1.26 -4.89 114.28 113.54 1wft n THR 31 Ca 0.11 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.02 1wft n THR 31 Cb 0.51 -0.42 -0.04 0.00 -1.55 0.00 0.00 70.33 68.83 1wft n THR 31 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1wft h SER 32 N 0.00 -0.49 -0.91 1.09 0.02 -1.98 -3.47 113.55 107.81 1wft h SER 32 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1wft h SER 32 Cb 0.43 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1wft h SER 32 CO 0.00 -0.10 0.00 -0.81 -1.14 0.00 0.00 176.83 174.78 1wft n PRO 33 N -4.95 -0.23 -1.03 3.45 -0.04 -1.26 -4.89 135.00 126.05 1wft n PRO 33 Ca -0.07 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.04 1wft n PRO 33 Cb 0.23 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.68 1wft n PRO 33 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wft n SER 34 N -1.83 -1.46 -0.11 3.54 2.88 -1.26 -4.81 113.62 110.58 1wft n SER 34 Ca 0.00 0.75 -0.14 0.00 -1.33 0.00 0.00 58.87 58.15 1wft n SER 34 Cb 0.00 -0.70 -0.11 0.00 -0.75 0.00 0.00 64.21 62.65 1wft n SER 34 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wft n GLY 35 N 1.62 -0.39 3.65 0.46 0.00 -1.26 -3.99 105.19 105.28 1wft n GLY 35 Ca 0.11 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 -6.01 6.80 -0.39 1.61 -0.87 -1.26 -4.98 114.94 109.84 1wft s ASN 36 Ca -0.27 1.67 0.01 0.00 -1.57 0.00 0.00 52.86 52.71 1wft s ASN 36 Cb 0.07 -2.54 0.12 0.00 -0.02 0.00 0.00 41.25 38.89 1wft s ASN 36 CO 0.54 -0.89 0.18 -0.63 -2.57 0.00 0.00 177.10 173.73 1wft s ILE 37 N 3.90 1.32 0.13 0.60 -1.09 -1.26 -4.88 121.20 119.92 1wft s ILE 37 Ca 0.59 -2.19 -0.31 0.00 -2.23 0.00 0.00 60.65 56.51 1wft s ILE 37 Cb -0.23 -1.95 -0.10 0.00 -1.58 0.00 0.00 42.46 38.61 1wft s ILE 37 CO 0.20 -0.80 1.53 -0.07 -1.23 0.00 0.00 174.94 174.56 1wft h LEU 38 N 7.22 -1.89 -8.34 2.97 3.38 -1.93 -3.45 115.31 113.26 1wft h LEU 38 Ca -0.05 0.26 -0.14 0.00 0.09 0.00 0.00 57.88 58.03 1wft h LEU 38 Cb 0.96 0.79 -0.08 0.00 0.09 0.00 0.00 40.66 42.43 1wft h LEU 38 CO 0.48 -0.34 -0.13 -1.61 0.09 0.00 0.00 178.44 176.93 1wft s GLU 39 N -5.52 1.75 0.31 1.13 2.02 -1.25 -4.98 118.70 112.16 1wft s GLU 39 Ca -0.13 -1.48 0.07 0.00 0.02 0.00 0.00 54.97 53.45 1wft s GLU 39 Cb 0.09 0.47 -0.06 0.00 0.10 0.00 0.00 34.13 34.72 1wft s GLU 39 CO 0.60 -0.73 -0.06 0.71 0.02 0.00 0.00 175.26 175.79 1wft s TYR 40 N -3.47 2.12 -0.24 1.61 1.51 -0.93 -1.87 117.35 116.07 1wft s TYR 40 Ca 0.26 -0.66 -0.22 0.00 -1.01 0.00 0.00 57.07 55.44 1wft s TYR 40 Cb -0.01 -1.24 0.06 0.00 -0.11 0.00 0.00 41.96 40.67 1wft s TYR 40 CO 0.14 0.36 0.64 0.45 -1.11 0.00 0.00 175.55 176.03 1wft s SER 41 N -3.51 -0.68 0.21 2.29 0.15 -1.17 -3.51 113.70 107.48 1wft s SER 41 Ca 0.31 1.31 0.09 0.00 0.70 0.00 0.00 55.95 58.35 1wft s SER 41 Cb 0.04 1.31 -0.04 0.00 -1.71 0.00 0.00 66.02 65.62 1wft s SER 41 CO 0.14 -0.22 -0.02 0.00 1.20 0.00 0.00 173.24 174.33 1wft s ALA 42 N 0.42 3.13 0.02 5.45 0.00 -1.18 -2.91 121.76 126.68 1wft s ALA 42 Ca -0.01 -1.50 -0.06 0.00 0.00 0.00 0.00 51.96 50.39 1wft s ALA 42 Cb -0.05 -0.85 -0.01 0.00 0.00 0.00 0.00 23.12 22.22 1wft s ALA 42 CO -0.00 0.39 0.11 0.71 0.00 0.00 0.00 175.76 176.96 1wft s TYR 43 N -1.96 0.12 -0.06 0.00 1.51 0.11 -2.67 117.35 114.40 1wft s TYR 43 Ca 0.28 -0.31 0.02 0.00 -1.01 0.00 0.00 57.07 56.06 1wft s TYR 43 Cb -0.08 -0.10 0.01 0.00 -0.11 0.00 0.00 41.96 41.69 1wft s TYR 43 CO 0.18 -0.31 -0.12 -1.17 -1.11 0.00 0.00 175.55 173.03 1wft s LEU 44 N -1.67 1.64 0.26 -1.29 2.96 -0.69 -1.31 118.68 118.58 1wft s LEU 44 Ca -0.11 -0.29 -0.30 0.00 -0.22 0.00 0.00 54.13 53.21 1wft s LEU 44 Cb -0.05 -0.81 -0.10 0.00 0.50 0.00 0.00 46.19 45.73 1wft s LEU 44 CO -0.01 0.03 1.46 0.00 -1.32 0.00 0.00 176.35 176.52 1wft s ALA 45 N 0.64 3.64 0.33 5.97 0.00 -1.21 -2.72 121.76 128.42 1wft s ALA 45 Ca -0.14 1.37 0.06 0.00 0.00 0.00 0.00 51.96 53.25 1wft s ALA 45 Cb -0.15 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.36 1wft s ALA 45 CO 0.03 -0.79 0.24 0.96 0.00 0.00 0.00 175.76 176.20 1wft s ILE 46 N -0.07 0.11 -0.18 0.00 -0.00 -1.17 -1.10 121.20 118.79 1wft s ILE 46 Ca 0.59 -2.00 -0.05 0.00 -0.00 0.00 0.00 60.65 59.20 1wft s ILE 46 Cb -0.43 -2.47 -0.03 0.00 -0.00 0.00 0.00 42.46 39.53 1wft s ILE 46 CO 0.45 0.00 -0.00 -0.13 -0.00 0.00 0.00 174.94 175.25 1wft s ARG 47 N -3.57 3.70 0.11 0.37 0.52 -1.24 -4.61 118.95 114.23 1wft s ARG 47 Ca 0.37 -0.49 0.03 0.00 -0.52 0.00 0.00 55.73 55.13 1wft s ARG 47 Cb 0.03 -3.04 -0.04 0.00 0.52 0.00 0.00 34.95 32.42 1wft s ARG 47 CO 0.24 0.14 -0.09 0.95 0.02 0.00 0.00 175.30 176.55 1wft s THR 48 N 0.66 0.94 -0.40 0.02 -4.23 -1.26 -5.11 115.64 106.26 1wft s THR 48 Ca -0.00 -1.84 -0.11 0.00 -1.18 0.00 0.00 61.69 58.55 1wft s THR 48 Cb -0.14 -1.58 0.05 0.00 1.34 0.00 0.00 72.50 72.17 1wft s THR 48 CO 0.02 -0.70 0.26 0.00 -0.54 0.00 0.00 174.62 173.66 1wft s ALA 49 N -3.02 3.33 -0.28 3.99 0.00 -1.26 -5.03 121.76 119.49 1wft s ALA 49 Ca 0.10 -1.91 -0.17 0.00 0.00 0.00 0.00 51.96 49.99 1wft s ALA 49 Cb 0.01 -2.70 0.11 0.00 0.00 0.00 0.00 23.12 20.53 1wft s ALA 49 CO -0.01 -1.52 0.82 -1.14 0.00 0.00 0.00 175.76 173.90 1wft s GLN 50 N 1.54 0.59 0.53 0.00 0.74 -1.26 -5.16 119.66 116.63 1wft s GLN 50 Ca 0.03 0.97 -0.20 0.00 0.05 0.00 0.00 55.36 56.21 1wft s GLN 50 Cb -0.21 0.14 -0.06 0.00 1.10 0.00 0.00 33.01 33.98 1wft s GLN 50 CO 0.06 -0.12 1.14 1.41 -0.55 0.00 0.00 175.29 177.23 1wft s MET 51 N 1.37 3.42 0.37 1.67 -2.45 -1.26 -5.04 119.30 117.38 1wft s MET 51 Ca -0.08 1.66 -0.17 0.00 -1.25 0.00 0.00 55.69 55.85 1wft s MET 51 Cb -0.04 -2.08 0.05 0.00 1.25 0.00 0.00 34.83 34.00 1wft s MET 51 CO -0.16 -0.81 0.79 1.14 1.05 0.00 0.00 175.02 177.03 1wft s GLN 52 N -3.17 2.16 -0.26 4.11 0.00 -1.26 -5.07 119.66 116.17 1wft s GLN 52 Ca 0.71 -1.36 0.14 0.00 -0.00 0.00 0.00 55.36 54.84 1wft s GLN 52 Cb -0.25 0.62 0.47 0.00 0.00 0.00 0.00 33.01 33.85 1wft s GLN 52 CO 0.29 -1.01 1.16 -3.47 0.00 0.00 0.00 175.29 172.27 1wft n ASP 53 N -1.27 3.39 -4.55 12.60 -0.08 -1.26 -5.06 116.55 120.32 1wft n ASP 53 Ca -0.08 -3.10 -0.29 0.00 -1.51 0.00 0.00 54.79 49.81 1wft n ASP 53 Cb 0.60 -0.40 -0.10 0.00 2.34 0.00 0.00 41.12 43.56 1wft n ASP 53 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 1wft s ASN 54 N -3.57 4.19 0.04 1.67 -0.87 -1.26 -5.05 114.94 110.09 1wft s ASN 54 Ca 0.41 -0.50 -0.20 0.00 -1.57 0.00 0.00 52.86 51.00 1wft s ASN 54 Cb 0.38 -0.71 -0.14 0.00 -0.02 0.00 0.00 41.25 40.75 1wft s ASN 54 CO -0.00 0.15 1.34 1.55 -2.57 0.00 0.00 177.10 177.57 1wft h PRO 55 N 3.43 0.36 -1.74 -0.60 0.13 -2.08 -3.44 132.00 128.06 1wft h PRO 55 Ca -0.49 -0.19 -0.11 0.00 -0.87 0.00 0.00 66.00 64.35 1wft h PRO 55 Cb 1.18 0.01 -0.28 0.00 0.13 0.00 0.00 31.00 32.03 1wft h PRO 55 CO 0.51 0.74 -0.44 0.45 -0.23 0.00 0.00 178.00 179.03 1wft s SER 56 N -6.13 -0.06 0.09 1.44 0.15 -1.26 -5.16 113.70 102.77 1wft s SER 56 Ca -0.14 0.36 0.07 0.00 0.70 0.00 0.00 55.95 56.93 1wft s SER 56 Cb 0.05 1.31 -0.03 0.00 -1.71 0.00 0.00 66.02 65.64 1wft s SER 56 CO 0.75 -0.29 -0.17 -1.10 1.20 0.00 0.00 173.24 173.63 1wft s GLN 57 N 2.60 0.98 -0.18 5.44 -1.52 -1.26 -5.13 119.66 120.59 1wft s GLN 57 Ca 0.14 -1.08 -0.05 0.00 -1.95 0.00 0.00 55.36 52.42 1wft s GLN 57 Cb -0.15 -1.09 0.06 0.00 -0.22 0.00 0.00 33.01 31.60 1wft s GLN 57 CO -0.17 0.25 0.08 -0.51 -0.25 0.00 0.00 175.29 174.69 1wft s LEU 58 N -1.90 0.49 -0.24 2.90 1.43 -1.26 -5.12 118.68 114.98 1wft s LEU 58 Ca 0.03 -0.68 -0.28 0.00 -1.03 0.00 0.00 54.13 52.17 1wft s LEU 58 Cb -0.09 -0.30 0.01 0.00 0.03 0.00 0.00 46.19 45.83 1wft s LEU 58 CO 0.03 -0.35 1.01 0.54 0.23 0.00 0.00 176.35 177.81 1wft s VAL 59 N 2.09 4.69 -0.31 -1.59 0.11 -1.26 -5.01 120.40 119.12 1wft s VAL 59 Ca 0.02 1.93 -0.09 0.00 -2.93 0.00 0.00 61.98 60.91 1wft s VAL 59 Cb -0.16 -4.29 -0.00 0.00 -1.53 0.00 0.00 36.38 30.40 1wft s VAL 59 CO -0.10 -0.19 0.14 -0.36 -3.33 0.00 0.00 175.10 171.26 1wft s PHE 60 N 3.18 3.18 -0.04 1.54 0.40 -1.26 -3.05 117.98 121.92 1wft s PHE 60 Ca 0.43 -0.66 -0.14 0.00 -0.60 0.00 0.00 56.93 55.96 1wft s PHE 60 Cb -0.15 -2.34 -0.05 0.00 0.51 0.00 0.00 43.02 40.99 1wft s PHE 60 CO 0.07 -0.49 0.37 0.00 0.70 0.00 0.00 175.22 175.87 1wft s MET 61 N 1.59 3.94 0.28 0.44 0.23 -1.10 -4.76 119.30 119.92 1wft s MET 61 Ca 0.04 0.32 -0.30 0.00 -1.03 0.00 0.00 55.69 54.72 1wft s MET 61 Cb -0.17 -3.26 -0.11 0.00 -1.53 0.00 0.00 34.83 29.76 1wft s MET 61 CO 0.06 0.60 1.50 0.50 -2.03 0.00 0.00 175.02 175.65 1wft s ARG 62 N -0.74 4.20 0.00 3.16 3.52 -1.26 -1.70 118.95 126.12 1wft s ARG 62 Ca 0.22 2.43 0.00 0.00 -0.13 0.00 0.00 55.73 58.25 1wft s ARG 62 Cb -0.16 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.18 1wft s ARG 62 CO 0.11 -0.50 0.21 0.44 -0.81 0.00 0.00 175.30 174.75 1wft n ILE 63 N 1.99 0.00 -3.73 4.11 -5.35 -1.09 -4.91 119.36 110.39 1wft n ILE 63 Ca 0.06 -0.36 -0.12 0.00 -0.27 0.00 0.00 62.75 62.06 1wft n ILE 63 Cb 0.39 1.16 -0.11 0.00 -1.74 0.00 0.00 39.64 39.34 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 -0.31 -0.44 -0.24 4.28 5.04 -1.25 -5.04 117.35 119.39 1wft s TYR 64 Ca 0.00 1.01 0.01 0.00 -2.44 0.00 0.00 57.07 55.64 1wft s TYR 64 Cb 0.00 0.15 0.06 0.00 0.35 0.00 0.00 41.96 42.53 1wft s TYR 64 CO 0.00 -0.25 -0.05 0.00 -1.34 0.00 0.00 175.55 173.91 1wft n GLY 66 N 4.67 -1.18 0.12 0.00 0.00 -1.23 -5.01 105.19 102.56 1wft n GLY 66 Ca -0.11 -1.00 0.07 0.00 0.00 0.00 0.00 46.02 44.98 1wft n GLY 66 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1wft n LEU 67 N 0.00 1.02 -4.77 0.99 -0.00 -1.26 -2.18 117.00 110.80 1wft n LEU 67 Ca 0.00 -0.59 -0.37 0.00 -0.00 0.00 0.00 56.01 55.05 1wft n LEU 67 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1wft n LEU 67 CO 0.00 0.22 0.84 -0.75 -0.00 0.00 0.00 177.39 177.71 1wft s LYS 68 N -2.27 3.56 -0.42 1.47 2.47 -1.26 -4.62 119.74 118.66 1wft s LYS 68 Ca 0.08 1.81 0.00 0.00 -1.56 0.00 0.00 55.97 56.31 1wft s LYS 68 Cb 0.12 -2.29 0.38 0.00 -1.46 0.00 0.00 37.83 34.58 1wft s LYS 68 CO 0.56 -0.73 1.89 0.25 0.16 0.00 0.00 175.35 177.48 1wft n THR 69 N -0.76 2.95 -3.60 3.43 -2.24 -1.26 -4.81 114.28 107.98 1wft n THR 69 Ca 0.09 -1.91 -0.03 0.00 -2.27 0.00 0.00 64.05 59.93 1wft n THR 69 Cb 0.48 -1.02 -0.05 0.00 -2.10 0.00 0.00 70.33 67.64 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 -0.70 -0.85 0.29 3.42 1.04 -1.26 -1.90 113.70 113.74 1wft s SER 70 Ca 0.44 1.26 0.02 0.00 0.48 0.00 0.00 55.95 58.15 1wft s SER 70 Cb 0.36 1.67 -0.05 0.00 0.10 0.00 0.00 66.02 68.10 1wft s SER 70 CO 0.03 -0.19 0.10 0.00 0.98 0.00 0.00 173.24 174.16 1wft s THR 72 N -3.61 1.53 -0.29 0.00 2.01 -1.26 0.08 115.64 114.11 1wft s THR 72 Ca 0.36 -0.72 -0.09 0.00 0.31 0.00 0.00 61.69 61.55 1wft s THR 72 Cb 0.07 -1.35 -0.02 0.00 0.01 0.00 0.00 72.50 71.21 1wft s THR 72 CO 0.15 0.44 0.13 -0.69 -0.69 0.00 0.00 174.62 173.96 1wft s VAL 73 N 0.45 4.59 0.76 3.82 1.01 0.45 -4.97 120.40 126.51 1wft s VAL 73 Ca -0.15 -0.26 -0.11 0.00 0.00 0.00 0.00 61.98 61.46 1wft s VAL 73 Cb -0.16 -3.26 0.04 0.00 0.00 0.00 0.00 36.38 33.01 1wft s VAL 73 CO 0.05 0.18 1.10 0.42 0.00 0.00 0.00 175.10 176.85 1wft s THR 74 N 1.63 3.26 0.18 3.92 -4.23 -1.26 -2.57 115.64 116.57 1wft s THR 74 Ca 0.05 0.41 -0.13 0.00 -1.18 0.00 0.00 61.69 60.85 1wft s THR 74 Cb -0.16 -3.26 0.08 0.00 1.34 0.00 0.00 72.50 70.50 1wft s THR 74 CO 0.06 -0.54 1.80 0.00 -0.54 0.00 0.00 174.62 175.40 1wft h ALA 75 N -0.90 0.75 -1.02 3.99 0.00 -1.99 -2.11 119.26 117.99 1wft h ALA 75 Ca -0.46 -0.09 0.25 0.00 0.00 0.00 0.00 54.91 54.61 1wft h ALA 75 Cb 1.26 -0.23 -0.09 0.00 0.00 0.00 0.00 17.79 18.72 1wft h ALA 75 CO 0.61 0.25 0.65 0.78 0.00 0.00 0.00 179.25 181.54 1wft h GLY 76 N 0.79 1.27 1.32 0.00 0.00 -1.98 0.00 103.07 104.47 1wft h GLY 76 Ca 0.21 -0.23 -0.33 0.00 0.00 0.00 0.00 47.33 46.99 1wft h GLY 76 CO -0.04 -0.12 -1.45 1.46 0.00 0.00 0.00 176.54 176.40 1wft h GLN 77 N 0.45 0.48 -0.97 4.80 1.08 -1.83 -3.31 115.11 115.80 1wft h GLN 77 Ca 0.58 -0.82 0.09 0.00 -1.45 0.00 0.00 58.65 57.05 1wft h GLN 77 Cb 1.37 0.31 -0.07 0.00 -0.05 0.00 0.00 27.48 29.04 1wft h GLN 77 CO -0.30 1.39 0.62 -0.07 -0.95 0.00 0.00 178.83 179.53 1wft h LEU 78 N 0.13 0.93 -1.19 1.46 3.38 -0.38 -1.00 115.31 118.64 1wft h LEU 78 Ca -0.24 0.03 0.17 0.00 0.09 0.00 0.00 57.88 57.93 1wft h LEU 78 Cb 2.13 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 42.63 1wft h LEU 78 CO 0.26 0.55 0.61 0.00 0.09 0.00 0.00 178.44 179.94 1wft h ALA 79 N 1.51 1.81 0.00 1.53 0.00 -1.35 0.42 119.26 123.18 1wft h ALA 79 Ca 0.45 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1wft h ALA 79 Cb 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1wft h ALA 79 CO -0.20 -0.11 -0.05 -0.91 0.00 0.00 0.00 179.25 177.97 1wft h ASN 80 N 0.71 0.00 -2.22 0.00 2.35 -1.35 -3.45 115.58 111.62 1wft h ASN 80 Ca 0.51 -0.01 -0.56 0.00 -0.55 0.00 0.00 56.30 55.68 1wft h ASN 80 Cb 0.85 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.23 1wft h ASN 80 CO -0.27 0.01 1.36 0.00 -1.65 0.00 0.00 177.43 176.87 1wft s ALA 81 N -3.13 3.11 -0.23 -0.83 0.00 0.15 -3.65 121.76 117.18 1wft s ALA 81 Ca 0.10 0.96 -0.29 0.00 0.00 0.00 0.00 51.96 52.72 1wft s ALA 81 Cb 0.11 -3.97 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1wft s ALA 81 CO 0.62 -2.25 1.11 -1.58 0.00 0.00 0.00 175.76 173.67 1wft s HIS 82 N 6.52 3.16 -0.13 0.00 2.46 -0.26 -4.96 115.29 122.09 1wft s HIS 82 Ca 0.93 1.29 -0.19 0.00 0.47 0.00 0.00 55.06 57.56 1wft s HIS 82 Cb -0.36 -3.41 -0.04 0.00 -0.13 0.00 0.00 32.58 28.64 1wft s HIS 82 CO 0.37 -0.87 0.53 0.42 -2.47 0.00 0.00 174.74 172.71 1wft s ILE 83 N 3.39 5.15 -0.30 0.89 1.01 -1.26 -4.30 121.20 125.77 1wft s ILE 83 Ca 0.47 1.04 -0.29 0.00 0.00 0.00 0.00 60.65 61.87 1wft s ILE 83 Cb -0.16 -3.86 -0.01 0.00 0.01 0.00 0.00 42.46 38.44 1wft s ILE 83 CO 0.10 0.28 1.45 -1.81 0.00 0.00 0.00 174.94 174.96 1wft s ASP 84 N 0.77 6.46 -0.39 3.58 1.11 -1.18 -4.88 116.67 122.15 1wft s ASP 84 Ca 0.27 1.24 0.06 0.00 0.18 0.00 0.00 52.55 54.31 1wft s ASP 84 Cb -0.16 -2.54 0.56 0.00 1.07 0.00 0.00 42.92 41.86 1wft s ASP 84 CO 0.11 -1.25 1.67 -1.22 1.18 0.00 0.00 175.17 175.66 1wft n TYR 85 N 8.30 2.10 -0.08 4.23 4.01 -1.26 -3.01 117.16 131.45 1wft n TYR 85 Ca 0.17 -1.87 -0.06 0.00 -0.16 0.00 0.00 57.90 55.98 1wft n TYR 85 Cb 0.46 -0.74 -0.14 0.00 -0.31 0.00 0.00 39.34 38.61 1wft n TYR 85 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1wft n THR 86 N -1.09 1.05 0.00 -0.72 5.66 -1.26 -4.85 114.28 113.07 1wft n THR 86 Ca 0.46 -0.71 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 1wft n THR 86 Cb 1.23 -0.44 0.00 0.00 -1.55 0.00 0.00 70.33 69.57 1wft n THR 86 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1wft n SER 87 N -2.59 0.27 -3.68 1.09 7.64 -1.26 -5.10 113.62 109.99 1wft n SER 87 Ca -0.26 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.53 1wft n SER 87 Cb 1.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 64.10 1wft n SER 87 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1wft s ARG 88 N -1.88 0.41 -1.14 1.43 0.52 -1.25 -5.08 118.95 111.95 1wft s ARG 88 Ca 0.00 0.89 -0.23 0.00 -0.52 0.00 0.00 55.73 55.87 1wft s ARG 88 Cb 0.00 0.07 -0.08 0.00 0.52 0.00 0.00 34.95 35.46 1wft s ARG 88 CO 0.00 -0.18 1.94 -1.25 0.02 0.00 0.00 175.30 175.83 1wft s PRO 89 N 1.68 2.51 0.18 3.54 0.04 -1.17 -4.41 135.00 137.36 1wft s PRO 89 Ca -0.08 -1.03 0.01 0.00 0.04 0.00 0.00 61.00 59.93 1wft s PRO 89 Cb -0.09 -5.22 -0.04 0.00 0.04 0.00 0.00 34.50 29.19 1wft s PRO 89 CO -0.14 -3.89 0.05 0.00 0.04 0.00 0.00 177.00 173.06 1wft s ALA 90 N 10.87 1.24 -0.24 8.56 0.00 -1.25 -3.98 121.76 136.96 1wft s ALA 90 Ca 0.69 -1.61 -0.23 0.00 0.00 0.00 0.00 51.96 50.80 1wft s ALA 90 Cb -0.02 0.82 -0.01 0.00 0.00 0.00 0.00 23.12 23.92 1wft s ALA 90 CO 0.11 -0.43 0.78 0.42 0.00 0.00 0.00 175.76 176.64 1wft s ILE 91 N -3.85 4.88 -0.20 0.00 1.01 -0.13 -3.09 121.20 119.82 1wft s ILE 91 Ca 0.28 1.46 -0.17 0.00 0.00 0.00 0.00 60.65 62.22 1wft s ILE 91 Cb 0.07 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 1wft s ILE 91 CO 0.06 -0.04 0.46 -0.69 0.00 0.00 0.00 174.94 174.73 1wft s VAL 92 N 2.69 5.15 0.36 2.92 1.01 -1.26 -2.24 120.40 129.03 1wft s VAL 92 Ca 0.33 0.84 0.08 0.00 0.00 0.00 0.00 61.98 63.23 1wft s VAL 92 Cb -0.15 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 1wft s VAL 92 CO 0.08 0.21 0.07 -0.36 0.00 0.00 0.00 175.10 175.10 1wft s PHE 93 N 1.50 2.59 -0.07 5.22 0.08 -1.19 -3.32 117.98 122.79 1wft s PHE 93 Ca 0.22 -0.46 -0.03 0.00 0.12 0.00 0.00 56.93 56.77 1wft s PHE 93 Cb -0.15 -1.62 0.04 0.00 -0.57 0.00 0.00 43.02 40.72 1wft s PHE 93 CO 0.09 0.39 0.13 1.03 -0.10 0.00 0.00 175.22 176.77 1wft s ARG 94 N -3.78 0.00 0.03 0.44 1.81 -0.43 -3.38 118.95 113.65 1wft s ARG 94 Ca 0.37 0.50 0.05 0.00 -1.72 0.00 0.00 55.73 54.93 1wft s ARG 94 Cb 0.01 -0.37 -0.02 0.00 -0.45 0.00 0.00 34.95 34.12 1wft s ARG 94 CO 0.21 -0.32 -0.16 0.42 -0.68 0.00 0.00 175.30 174.77 1wft s ILE 95 N 2.26 1.24 0.32 1.52 1.01 -1.03 0.06 121.20 126.58 1wft s ILE 95 Ca 0.04 -0.97 -0.14 0.00 0.00 0.00 0.00 60.65 59.57 1wft s ILE 95 Cb -0.12 -1.10 0.02 0.00 0.01 0.00 0.00 42.46 41.28 1wft s ILE 95 CO -0.05 0.11 0.65 -0.55 0.00 0.00 0.00 174.94 175.10 1wft s SER 96 N -0.99 0.05 0.24 3.58 0.15 -1.15 -1.02 113.70 114.57 1wft s SER 96 Ca 0.04 -1.00 0.09 0.00 0.70 0.00 0.00 55.95 55.77 1wft s SER 96 Cb -0.08 0.73 -0.04 0.00 -1.71 0.00 0.00 66.02 64.92 1wft s SER 96 CO 0.01 -1.40 0.02 0.00 1.20 0.00 0.00 173.24 173.06 1wft s ALA 97 N -3.28 3.21 -0.13 5.45 0.00 -1.26 -3.01 121.76 122.74 1wft s ALA 97 Ca 0.18 -1.57 -0.01 0.00 0.00 0.00 0.00 51.96 50.56 1wft s ALA 97 Cb -0.04 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 1wft s ALA 97 CO 0.11 0.31 -0.08 0.21 0.00 0.00 0.00 175.76 176.32 1wft s LYS 98 N -3.53 3.35 0.33 0.00 2.20 -0.78 -4.12 119.74 117.19 1wft s LYS 98 Ca 0.31 -0.58 0.08 0.00 -0.36 0.00 0.00 55.97 55.41 1wft s LYS 98 Cb -0.07 -2.74 -0.06 0.00 -1.51 0.00 0.00 37.83 33.44 1wft s LYS 98 CO 0.20 0.34 -0.05 -0.80 -0.36 0.00 0.00 175.35 174.67 1wft s ASN 99 N 0.07 3.32 0.33 1.43 0.01 -0.74 -3.32 114.94 116.03 1wft s ASN 99 Ca -0.02 -1.24 0.21 0.00 -0.71 0.00 0.00 52.86 51.10 1wft s ASN 99 Cb -0.14 -0.27 1.16 0.00 0.41 0.00 0.00 41.25 42.41 1wft s ASN 99 CO 0.03 -0.32 1.30 1.21 -1.51 0.00 0.00 177.10 177.81 1wft n GLU 100 N -0.74 -0.04 -0.08 -0.60 2.13 -1.26 -0.12 120.64 119.92 1wft n GLU 100 Ca -0.05 1.10 -0.14 0.00 0.66 0.00 0.00 57.16 58.73 1wft n GLU 100 Cb 0.64 -2.04 -0.09 0.00 0.27 0.00 0.00 31.44 30.22 1wft n GLU 100 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1wft h LYS 101 N 0.00 0.00 0.00 5.31 1.63 -1.97 -3.51 116.57 118.03 1wft h LYS 101 Ca 0.71 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.51 1wft h LYS 101 Cb 2.05 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.68 1wft h LYS 101 CO -0.54 0.73 0.00 0.41 -3.45 0.00 0.00 179.45 176.61 1wft n GLY 102 N 1.56 -0.50 3.89 5.01 0.00 0.83 -5.14 105.19 110.83 1wft n GLY 102 Ca -0.17 -1.05 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 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 -3.04 3.54 0.00 1.61 1.51 -1.26 -1.79 117.35 117.92 1wft s TYR 103 Ca 0.00 1.02 0.00 0.00 -1.01 0.00 0.00 57.07 57.08 1wft s TYR 103 Cb 0.00 -2.45 0.00 0.00 -0.11 0.00 0.00 41.96 39.40 1wft s TYR 103 CO 0.00 -0.31 0.00 0.41 -1.11 0.00 0.00 175.55 174.54 1wft n GLY 104 N -2.01 0.92 3.69 0.71 0.00 -1.26 -4.98 105.19 102.26 1wft n GLY 104 Ca 0.03 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 0.51 4.27 0.24 1.61 0.04 -1.26 -5.03 135.00 135.38 1wft s PRO 105 Ca 0.00 2.03 0.10 0.00 0.04 0.00 0.00 61.00 63.16 1wft s PRO 105 Cb 0.00 -3.56 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 1wft s PRO 105 CO 0.00 -0.59 -0.05 0.00 0.04 0.00 0.00 177.00 176.40 1wft s ALA 106 N 2.37 3.06 -0.09 8.56 0.00 -1.26 -4.43 121.76 129.97 1wft s ALA 106 Ca 0.65 -1.62 0.04 0.00 0.00 0.00 0.00 51.96 51.03 1wft s ALA 106 Cb -0.33 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.07 1wft s ALA 106 CO 0.28 0.33 -0.22 0.99 0.00 0.00 0.00 175.76 177.14 1wft s THR 107 N -2.16 2.32 -0.13 0.00 2.01 -0.19 -4.96 115.64 112.53 1wft s THR 107 Ca 0.29 -0.95 -0.01 0.00 0.31 0.00 0.00 61.69 61.34 1wft s THR 107 Cb -0.07 -1.89 -0.02 0.00 0.01 0.00 0.00 72.50 70.53 1wft s THR 107 CO 0.18 0.56 -0.11 -1.58 -0.69 0.00 0.00 174.62 172.98 1wft s GLN 108 N 0.07 3.39 0.30 4.92 0.74 -1.26 -2.45 119.66 125.38 1wft s GLN 108 Ca -0.09 -0.65 0.10 0.00 0.05 0.00 0.00 55.36 54.76 1wft s GLN 108 Cb -0.15 -2.67 -0.06 0.00 1.10 0.00 0.00 33.01 31.23 1wft s GLN 108 CO 0.06 0.24 -0.13 -1.50 -0.55 0.00 0.00 175.29 173.41 1wft s ILE 109 N 0.29 2.22 -0.27 -2.34 2.07 -1.22 -4.98 121.20 116.97 1wft s ILE 109 Ca -0.09 -2.27 -0.00 0.00 -1.41 0.00 0.00 60.65 56.88 1wft s ILE 109 Cb -0.15 -2.46 0.08 0.00 0.13 0.00 0.00 42.46 40.06 1wft s ILE 109 CO 0.05 -0.31 0.04 -0.13 -1.91 0.00 0.00 174.94 172.68 1wft s ARG 110 N -3.59 0.99 -0.47 3.50 0.52 -1.26 -3.19 118.95 115.45 1wft s ARG 110 Ca 0.31 -0.98 -0.14 0.00 -0.52 0.00 0.00 55.73 54.39 1wft s ARG 110 Cb -0.00 -2.28 0.08 0.00 0.52 0.00 0.00 34.95 33.27 1wft s ARG 110 CO 0.15 -0.81 0.39 -0.46 0.02 0.00 0.00 175.30 174.58 1wft s TRP 111 N 1.55 3.26 -0.06 -0.53 -0.00 -0.95 -4.88 118.94 117.34 1wft s TRP 111 Ca 0.04 -1.09 -0.30 0.00 -0.00 0.00 0.00 56.10 54.75 1wft s TRP 111 Cb -0.18 -3.22 -0.04 0.00 -0.00 0.00 0.00 33.47 30.03 1wft s TRP 111 CO -0.15 -0.84 1.37 -0.51 -0.00 0.00 0.00 176.95 176.83 1wft s LEU 112 N 1.60 4.28 0.24 5.86 1.43 -1.26 -0.96 118.68 129.87 1wft s LEU 112 Ca 0.04 1.98 -0.30 0.00 -1.03 0.00 0.00 54.13 54.82 1wft s LEU 112 Cb -0.25 -3.55 -0.14 0.00 0.03 0.00 0.00 46.19 42.28 1wft s LEU 112 CO 0.05 -0.74 1.13 0.00 0.23 0.00 0.00 176.35 177.02 1wft n GLN 113 N 5.92 1.42 -3.20 1.70 6.02 -1.26 -4.91 117.38 123.07 1wft n GLN 113 Ca 0.14 0.50 -0.45 0.00 -0.01 0.00 0.00 57.00 57.17 1wft n GLN 113 Cb 0.44 -1.96 -0.05 0.00 1.02 0.00 0.00 30.24 29.69 1wft n GLN 113 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1wft s GLY 114 N -0.23 1.92 -0.50 1.08 0.00 -1.26 -5.00 107.32 103.32 1wft s GLY 114 Ca 0.65 -2.38 -0.27 0.00 0.00 0.00 0.00 44.72 42.73 1wft s GLY 114 CO 0.56 1.41 2.42 -2.01 0.00 0.00 0.00 173.10 175.48 1wft n ASN 115 N 5.84 2.24 -3.62 1.64 2.85 -1.26 -4.86 115.26 118.09 1wft n ASN 115 Ca -0.11 -0.40 -0.10 0.00 -0.11 0.00 0.00 54.58 53.85 1wft n ASN 115 Cb 0.41 -1.53 -0.06 0.00 1.24 0.00 0.00 39.78 39.83 1wft n ASN 115 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1wft s SER 116 N 11.68 -0.46 -0.54 1.20 1.04 -1.26 -5.12 113.70 120.24 1wft s SER 116 Ca 1.01 0.78 -0.20 0.00 0.48 0.00 0.00 55.95 58.02 1wft s SER 116 Cb -0.27 0.76 0.07 0.00 0.10 0.00 0.00 66.02 66.67 1wft s SER 116 CO 0.29 -0.23 0.70 -0.75 0.98 0.00 0.00 173.24 174.23 1wft s LYS 117 N -0.16 3.13 0.36 4.02 2.20 -1.26 -4.92 119.74 123.11 1wft s LYS 117 Ca 0.01 -0.89 0.16 0.00 -0.36 0.00 0.00 55.97 54.89 1wft s LYS 117 Cb -0.04 -4.13 1.08 0.00 -1.51 0.00 0.00 37.83 33.23 1wft s LYS 117 CO -0.03 -1.36 1.70 0.66 -0.36 0.00 0.00 175.35 175.97 1wft h SER 118 N 9.11 0.51 -3.90 1.43 4.64 -2.00 -3.47 113.55 119.88 1wft h SER 118 Ca -0.28 0.14 0.08 0.00 -0.47 0.00 0.00 61.79 61.27 1wft h SER 118 Cb 1.09 0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 63.22 1wft h SER 118 CO 1.02 -0.02 -0.24 0.61 -0.87 0.00 0.00 176.83 177.33 1wft n GLY 119 N -1.37 -2.42 3.70 -0.77 0.00 -1.26 -4.96 105.19 98.11 1wft n GLY 119 Ca 0.29 -1.39 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.75 0.86 -0.05 1.61 0.04 -1.26 -5.00 135.00 128.45 1wft s PRO 120 Ca 0.00 0.68 0.11 0.00 0.04 0.00 0.00 61.00 61.83 1wft s PRO 120 Cb 0.00 -1.77 0.21 0.00 0.04 0.00 0.00 34.50 32.97 1wft s PRO 120 CO 0.00 -2.48 1.10 -1.13 0.04 0.00 0.00 177.00 174.53 1wft n SER 121 N -4.02 0.94 -3.64 6.66 3.41 -1.26 -5.05 113.62 110.66 1wft n SER 121 Ca 0.06 -2.46 -0.10 0.00 -0.26 0.00 0.00 58.87 56.12 1wft n SER 121 Cb 0.56 -0.31 -0.07 0.00 -0.26 0.00 0.00 64.21 64.13 1wft n SER 121 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wft s SER 122 N -1.90 -0.82 0.00 4.04 0.01 -1.26 -5.36 113.70 108.41 1wft s SER 122 Ca 0.19 1.41 0.00 0.00 1.31 0.00 0.00 55.95 58.86 1wft s SER 122 Cb 0.19 1.38 0.00 0.00 0.21 0.00 0.00 66.02 67.80 1wft s SER 122 CO -0.04 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 173.99