#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 4.43 -0.39 1.61 0.15 -1.26 -5.09 113.70 113.15 1wft s SER 2 Ca 0.00 -0.12 -0.19 0.00 0.70 0.00 0.00 55.95 56.34 1wft s SER 2 Cb 0.00 -1.03 0.01 0.00 -1.71 0.00 0.00 66.02 63.29 1wft s SER 2 CO 0.00 0.34 0.54 -0.94 1.20 0.00 0.00 173.24 174.38 1wft s SER 3 N -0.96 6.30 0.00 5.45 1.04 -1.26 -4.79 113.70 119.49 1wft s SER 3 Ca 0.13 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1wft s SER 3 Cb -0.11 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1wft s SER 3 CO 0.03 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.27 1wft n GLY 4 N 4.91 0.54 3.15 7.32 0.00 -1.26 -5.18 105.19 114.67 1wft n GLY 4 Ca -0.04 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 1wft n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wft s SER 5 N 0.00 0.01 -1.10 1.61 0.15 -1.26 -5.07 113.70 108.04 1wft s SER 5 Ca 0.00 -0.23 -0.24 0.00 0.70 0.00 0.00 55.95 56.18 1wft s SER 5 Cb 0.00 0.24 -0.09 0.00 -1.71 0.00 0.00 66.02 64.46 1wft s SER 5 CO 0.00 -0.45 1.97 -0.44 1.20 0.00 0.00 173.24 175.52 1wft s SER 6 N -1.63 4.89 0.27 5.45 0.01 -1.26 -4.91 113.70 116.52 1wft s SER 6 Ca -0.11 -1.33 0.00 0.00 1.31 0.00 0.00 55.95 55.82 1wft s SER 6 Cb -0.05 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1wft s SER 6 CO 0.00 -3.17 0.00 0.61 0.41 0.00 0.00 173.24 171.09 1wft n GLY 7 N 6.11 0.98 0.00 3.44 0.00 -1.26 -4.96 105.19 109.50 1wft n GLY 7 Ca 0.43 -1.97 0.07 0.00 0.00 0.00 0.00 46.02 44.55 1wft n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wft n PRO 8 N -0.84 0.07 0.00 1.61 -0.04 -1.26 -4.75 135.00 129.79 1wft n PRO 8 Ca 0.00 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1wft n PRO 8 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 -0.04 -1.01 3.79 0.55 0.00 -1.26 -4.79 105.19 102.44 1wft n GLY 9 Ca 0.05 -1.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 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 -3.17 3.59 0.77 4.61 0.00 -1.26 -4.36 121.76 121.94 1wft s ALA 10 Ca 0.00 -1.05 -0.11 0.00 0.00 0.00 0.00 51.96 50.81 1wft s ALA 10 Cb 0.00 -1.44 0.06 0.00 0.00 0.00 0.00 23.12 21.73 1wft s ALA 10 CO 0.00 0.70 1.09 -1.25 0.00 0.00 0.00 175.76 176.30 1wft s PRO 11 N -2.56 2.27 0.19 0.00 0.04 -1.26 -4.35 135.00 129.33 1wft s PRO 11 Ca 0.30 1.18 -0.00 0.00 0.04 0.00 0.00 61.00 62.51 1wft s PRO 11 Cb -0.12 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1wft s PRO 11 CO 0.23 -1.63 0.10 -1.12 0.04 0.00 0.00 177.00 174.61 1wft s SER 12 N -3.37 0.45 -1.33 6.66 0.01 -1.18 -4.89 113.70 110.05 1wft s SER 12 Ca 0.61 -1.33 -0.03 0.00 1.31 0.00 0.00 55.95 56.51 1wft s SER 12 Cb -0.17 0.30 0.01 0.00 0.21 0.00 0.00 66.02 66.37 1wft s SER 12 CO 0.56 -0.77 0.82 0.41 0.41 0.00 0.00 173.24 174.66 1wft n THR 13 N -0.26 -4.23 -2.42 1.44 -1.04 -1.26 -2.30 114.28 104.21 1wft n THR 13 Ca -0.01 -0.39 -0.43 0.00 -2.04 0.00 0.00 64.05 61.18 1wft n THR 13 Cb 0.65 -3.84 -0.02 0.00 -1.82 0.00 0.00 70.33 65.30 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 -3.54 4.02 0.12 12.58 1.01 -1.26 -4.27 120.40 129.06 1wft s VAL 14 Ca 0.14 1.06 0.04 0.00 0.00 0.00 0.00 61.98 63.23 1wft s VAL 14 Cb -0.07 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 1wft s VAL 14 CO 0.80 -0.76 0.08 -0.13 0.00 0.00 0.00 175.10 175.08 1wft s ARG 15 N 4.68 2.78 -0.07 2.72 1.81 -0.71 -4.96 118.95 125.20 1wft s ARG 15 Ca 0.57 -0.82 -0.01 0.00 -1.72 0.00 0.00 55.73 53.75 1wft s ARG 15 Cb -0.13 -2.63 0.03 0.00 -0.45 0.00 0.00 34.95 31.77 1wft s ARG 15 CO 0.30 0.52 -0.01 0.42 -0.68 0.00 0.00 175.30 175.85 1wft s ILE 16 N -1.53 0.44 0.09 1.52 1.01 -1.26 -0.85 121.20 120.62 1wft s ILE 16 Ca 0.29 0.04 0.09 0.00 0.00 0.00 0.00 60.65 61.07 1wft s ILE 16 Cb -0.11 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 1wft s ILE 16 CO 0.21 0.25 -0.21 -0.44 0.00 0.00 0.00 174.94 174.75 1wft s SER 17 N 1.67 3.64 0.13 3.58 0.01 -0.96 -5.01 113.70 116.77 1wft s SER 17 Ca 0.01 -0.57 -0.31 0.00 1.31 0.00 0.00 55.95 56.39 1wft s SER 17 Cb -0.13 -0.45 -0.08 0.00 0.21 0.00 0.00 66.02 65.57 1wft s SER 17 CO -0.04 0.21 1.30 -0.75 0.41 0.00 0.00 173.24 174.37 1wft s LYS 18 N -1.81 4.39 0.02 12.44 2.47 -1.26 -0.80 119.74 135.19 1wft s LYS 18 Ca 0.15 1.97 0.01 0.00 -1.56 0.00 0.00 55.97 56.54 1wft s LYS 18 Cb -0.10 -3.25 -0.04 0.00 -1.46 0.00 0.00 37.83 32.97 1wft s LYS 18 CO 0.07 -0.30 0.08 1.21 0.16 0.00 0.00 175.35 176.57 1wft s ASN 19 N 0.75 5.63 0.64 1.43 2.47 0.15 -4.76 114.94 121.25 1wft s ASN 19 Ca 0.59 0.10 0.41 0.00 0.42 0.00 0.00 52.86 54.39 1wft s ASN 19 Cb -0.34 -1.59 2.23 0.00 -1.45 0.00 0.00 41.25 40.10 1wft s ASN 19 CO 0.33 0.25 2.31 -0.37 -3.72 0.00 0.00 177.10 175.90 1wft h VAL 20 N 3.04 0.08 -0.05 -5.21 -1.51 -1.98 -0.99 116.25 109.63 1wft h VAL 20 Ca -0.48 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 1wft h VAL 20 Cb 1.18 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 1wft h VAL 20 CO 0.63 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.45 1wft n ASP 21 N -3.19 1.77 0.00 4.19 8.00 -1.26 -5.08 116.55 120.99 1wft n ASP 21 Ca -0.03 -1.44 0.00 0.00 0.71 0.00 0.00 54.79 54.04 1wft n ASP 21 Cb 0.10 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 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 0.31 -0.58 3.05 0.44 0.00 -0.37 -4.60 105.19 103.44 1wft n GLY 22 Ca 0.05 0.14 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 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 0.93 -0.46 -0.61 1.01 -0.88 0.30 121.20 121.50 1wft s ILE 23 Ca 0.00 -0.48 -0.07 0.00 0.00 0.00 0.00 60.65 60.10 1wft s ILE 23 Cb 0.00 -0.80 0.12 0.00 0.01 0.00 0.00 42.46 41.79 1wft s ILE 23 CO 0.00 0.27 0.31 -2.28 0.00 0.00 0.00 174.94 173.24 1wft s HIS 24 N -0.08 3.48 0.16 3.97 2.46 0.02 -0.47 115.29 124.83 1wft s HIS 24 Ca 0.01 -2.04 -0.30 0.00 0.47 0.00 0.00 55.06 53.20 1wft s HIS 24 Cb -0.07 -3.42 -0.07 0.00 -0.13 0.00 0.00 32.58 28.89 1wft s HIS 24 CO 0.00 -0.99 0.95 -1.17 -2.47 0.00 0.00 174.74 171.06 1wft s LEU 25 N 1.26 4.56 0.10 8.88 2.96 0.16 -2.25 118.68 134.35 1wft s LEU 25 Ca 0.07 1.85 -0.00 0.00 -0.22 0.00 0.00 54.13 55.83 1wft s LEU 25 Cb -0.25 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.81 1wft s LEU 25 CO -0.02 0.03 -0.01 -0.55 -1.32 0.00 0.00 176.35 174.48 1wft s SER 26 N -0.48 0.67 0.14 3.68 0.15 -0.02 0.16 113.70 117.99 1wft s SER 26 Ca 0.44 -1.08 -0.14 0.00 0.70 0.00 0.00 55.95 55.87 1wft s SER 26 Cb -0.24 0.19 0.05 0.00 -1.71 0.00 0.00 66.02 64.31 1wft s SER 26 CO 0.31 -0.61 0.69 -2.67 1.20 0.00 0.00 173.24 172.16 1wft n TRP 27 N -0.03 -1.17 -4.30 3.44 2.14 -0.69 -1.74 117.44 115.10 1wft n TRP 27 Ca -0.10 -0.89 -0.20 0.00 2.07 0.00 0.00 57.50 58.38 1wft n TRP 27 Cb 0.62 0.44 -0.11 0.00 -0.81 0.00 0.00 31.31 31.45 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 -2.04 1.18 0.59 -2.67 0.41 -0.97 -4.77 118.70 110.43 1wft s GLU 28 Ca 0.15 -1.36 -0.18 0.00 -0.41 0.00 0.00 54.97 53.17 1wft s GLU 28 Cb -0.02 -1.12 -0.03 0.00 -1.78 0.00 0.00 34.13 31.17 1wft s GLU 28 CO 0.04 0.22 1.12 -1.25 -0.49 0.00 0.00 175.26 174.90 1wft s PRO 29 N -2.86 3.13 -0.42 0.39 0.04 -1.26 -3.09 135.00 130.93 1wft s PRO 29 Ca 0.14 1.52 -0.28 0.00 0.04 0.00 0.00 61.00 62.42 1wft s PRO 29 Cb -0.05 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 1wft s PRO 29 CO 0.05 -1.01 1.74 -1.25 0.04 0.00 0.00 177.00 176.57 1wft s PRO 30 N -3.62 3.20 -0.82 0.56 0.04 -1.26 -4.61 135.00 128.48 1wft s PRO 30 Ca 0.70 1.12 -0.22 0.00 0.04 0.00 0.00 61.00 62.65 1wft s PRO 30 Cb -0.22 -4.21 -0.14 0.00 0.04 0.00 0.00 34.50 29.96 1wft s PRO 30 CO 0.33 -2.02 1.94 -2.37 0.04 0.00 0.00 177.00 174.92 1wft n THR 31 N 7.30 1.92 -4.01 1.26 5.66 -1.26 -4.82 114.28 120.32 1wft n THR 31 Ca 0.21 -1.69 -0.08 0.00 -3.05 0.00 0.00 64.05 59.44 1wft n THR 31 Cb 0.48 -2.33 -0.09 0.00 -1.55 0.00 0.00 70.33 66.84 1wft n THR 31 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1wft s SER 32 N 4.97 0.34 0.00 1.09 0.01 -1.26 -5.02 113.70 113.83 1wft s SER 32 Ca 0.57 -0.82 0.11 0.00 1.31 0.00 0.00 55.95 57.12 1wft s SER 32 Cb 0.14 0.23 0.65 0.00 0.21 0.00 0.00 66.02 67.24 1wft s SER 32 CO 0.11 -0.60 1.08 -0.81 0.41 0.00 0.00 173.24 173.43 1wft n PRO 33 N 0.26 0.49 -1.00 12.44 -0.04 -1.26 -4.89 135.00 141.00 1wft n PRO 33 Ca -0.16 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.96 1wft n PRO 33 Cb 0.61 -1.35 -0.02 0.00 -0.04 0.00 0.00 33.50 32.70 1wft n PRO 33 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wft n SER 34 N -0.85 -0.92 0.00 3.54 3.41 -1.26 -4.84 113.62 112.71 1wft n SER 34 Ca 0.08 0.80 0.00 0.00 -0.26 0.00 0.00 58.87 59.49 1wft n SER 34 Cb 0.04 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 1wft n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wft n GLY 35 N 1.43 0.00 3.29 5.00 0.00 -1.26 -4.88 105.19 108.78 1wft n GLY 35 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 1wft n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wft s ASN 36 N -2.25 0.64 -0.35 1.61 2.20 -1.26 -5.14 114.94 110.40 1wft s ASN 36 Ca 0.00 -1.46 -0.00 0.00 -0.94 0.00 0.00 52.86 50.45 1wft s ASN 36 Cb 0.00 0.48 0.12 0.00 -2.00 0.00 0.00 41.25 39.85 1wft s ASN 36 CO 0.00 -0.98 0.16 -0.63 -2.94 0.00 0.00 177.10 172.71 1wft s ILE 37 N -3.83 0.70 0.01 0.54 -1.09 -1.26 -4.75 121.20 111.52 1wft s ILE 37 Ca 0.37 -1.63 -0.07 0.00 -2.23 0.00 0.00 60.65 57.09 1wft s ILE 37 Cb 0.04 -1.52 -0.03 0.00 -1.58 0.00 0.00 42.46 39.37 1wft s ILE 37 CO 0.17 -0.80 1.10 -0.07 -1.23 0.00 0.00 174.94 174.11 1wft h LEU 38 N 7.60 -0.25 -8.37 2.97 3.38 -1.97 -3.47 115.31 115.21 1wft h LEU 38 Ca -0.08 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 1wft h LEU 38 Cb 0.98 0.08 -0.11 0.00 0.09 0.00 0.00 40.66 41.70 1wft h LEU 38 CO 0.43 -0.13 -0.27 -1.61 0.09 0.00 0.00 178.44 176.95 1wft s GLU 39 N -3.53 1.48 0.30 1.13 2.02 -1.26 -4.96 118.70 113.88 1wft s GLU 39 Ca -0.03 -1.40 0.08 0.00 0.02 0.00 0.00 54.97 53.63 1wft s GLU 39 Cb 0.01 0.41 -0.04 0.00 0.10 0.00 0.00 34.13 34.61 1wft s GLU 39 CO 0.11 -0.58 0.18 0.71 0.02 0.00 0.00 175.26 175.69 1wft s TYR 40 N -3.98 2.88 -0.17 1.61 2.02 0.17 -3.10 117.35 116.78 1wft s TYR 40 Ca 0.28 -0.26 -0.06 0.00 -0.37 0.00 0.00 57.07 56.66 1wft s TYR 40 Cb 0.02 -1.54 0.08 0.00 -0.40 0.00 0.00 41.96 40.11 1wft s TYR 40 CO 0.11 0.39 0.36 0.45 -1.57 0.00 0.00 175.55 175.29 1wft s SER 41 N -3.86 -0.04 -0.02 2.29 0.15 -1.21 -2.83 113.70 108.19 1wft s SER 41 Ca 0.36 0.84 -0.02 0.00 0.70 0.00 0.00 55.95 57.83 1wft s SER 41 Cb -0.06 1.08 -0.04 0.00 -1.71 0.00 0.00 66.02 65.30 1wft s SER 41 CO 0.24 -0.23 0.11 0.00 1.20 0.00 0.00 173.24 174.56 1wft s ALA 42 N 2.49 3.69 0.14 5.45 0.00 -1.11 -3.34 121.76 129.08 1wft s ALA 42 Ca -0.01 -0.82 0.05 0.00 0.00 0.00 0.00 51.96 51.18 1wft s ALA 42 Cb -0.12 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 1wft s ALA 42 CO -0.11 0.70 -0.11 0.71 0.00 0.00 0.00 175.76 176.94 1wft s TYR 43 N -1.21 1.30 -0.14 0.00 1.51 -0.11 -2.05 117.35 116.65 1wft s TYR 43 Ca 0.23 -0.67 -0.00 0.00 -1.01 0.00 0.00 57.07 55.62 1wft s TYR 43 Cb -0.12 -0.67 0.03 0.00 -0.11 0.00 0.00 41.96 41.09 1wft s TYR 43 CO 0.14 0.11 -0.10 -1.17 -1.11 0.00 0.00 175.55 173.42 1wft s LEU 44 N -2.88 1.53 -0.01 -1.29 2.96 -0.61 -1.85 118.68 116.54 1wft s LEU 44 Ca 0.13 -0.48 -0.36 0.00 -0.22 0.00 0.00 54.13 53.21 1wft s LEU 44 Cb -0.01 -1.02 -0.14 0.00 0.50 0.00 0.00 46.19 45.53 1wft s LEU 44 CO 0.02 -0.11 1.66 0.00 -1.32 0.00 0.00 176.35 176.60 1wft n ALA 45 N 4.84 0.50 -2.27 5.97 0.00 -1.05 -2.74 120.51 125.77 1wft n ALA 45 Ca -0.14 0.40 -0.15 0.00 0.00 0.00 0.00 53.44 53.55 1wft n ALA 45 Cb 0.49 -2.32 -0.10 0.00 0.00 0.00 0.00 19.45 17.52 1wft n ALA 45 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1wft s ILE 46 N 2.29 1.14 0.12 0.00 -4.36 -0.62 -0.79 121.20 118.98 1wft s ILE 46 Ca 0.88 -2.06 0.08 0.00 -0.26 0.00 0.00 60.65 59.28 1wft s ILE 46 Cb -0.80 -1.96 -0.04 0.00 1.25 0.00 0.00 42.46 40.91 1wft s ILE 46 CO 0.49 -0.65 -0.18 0.00 0.24 0.00 0.00 174.94 174.83 1wft s ARG 47 N -3.77 1.11 -0.30 0.37 1.04 -1.24 -4.49 118.95 111.67 1wft s ARG 47 Ca 0.19 -1.21 -0.07 0.00 -1.04 0.00 0.00 55.73 53.60 1wft s ARG 47 Cb 0.03 -1.22 0.15 0.00 -2.04 0.00 0.00 34.95 31.87 1wft s ARG 47 CO 0.02 0.27 0.65 -0.08 -0.04 0.00 0.00 175.30 176.12 1wft s THR 48 N -1.56 -0.98 -1.53 4.99 -1.32 -1.26 -4.93 115.64 109.06 1wft s THR 48 Ca 0.08 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.53 1wft s THR 48 Cb -0.08 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.91 1wft s THR 48 CO 0.04 0.00 0.45 0.00 -2.21 0.00 0.00 174.62 172.90 1wft n ALA 49 N 5.43 -0.84 -3.51 11.08 0.00 -1.26 -4.94 120.51 126.47 1wft n ALA 49 Ca -0.09 0.25 -0.41 0.00 0.00 0.00 0.00 53.44 53.20 1wft n ALA 49 Cb 0.50 -3.37 -0.04 0.00 0.00 0.00 0.00 19.45 16.54 1wft n ALA 49 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1wft s GLN 50 N -5.49 3.51 -0.35 0.00 -1.52 -1.26 -5.02 119.66 109.53 1wft s GLN 50 Ca 0.22 -3.03 -0.08 0.00 -1.95 0.00 0.00 55.36 50.52 1wft s GLN 50 Cb -0.10 -4.18 0.03 0.00 -0.22 0.00 0.00 33.01 28.54 1wft s GLN 50 CO 0.28 -1.25 0.15 -1.64 -0.25 0.00 0.00 175.29 172.57 1wft s MET 51 N -0.91 2.72 -1.39 2.91 -1.94 -1.26 -4.59 119.30 114.83 1wft s MET 51 Ca 0.25 -1.13 -0.05 0.00 -1.71 0.00 0.00 55.69 53.05 1wft s MET 51 Cb -0.10 -3.57 0.03 0.00 2.01 0.00 0.00 34.83 33.20 1wft s MET 51 CO -0.09 -0.67 0.81 0.94 -0.01 0.00 0.00 175.02 176.00 1wft n GLN 52 N 4.89 -5.19 -3.68 2.03 -0.06 -1.26 -4.98 117.38 109.13 1wft n GLN 52 Ca -0.12 0.61 -0.22 0.00 -2.00 0.00 0.00 57.00 55.27 1wft n GLN 52 Cb 0.45 -5.30 -0.02 0.00 -4.06 0.00 0.00 30.24 21.32 1wft n GLN 52 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1wft s ASP 53 N -3.95 6.29 0.46 1.69 2.15 -1.26 -5.07 116.67 116.98 1wft s ASP 53 Ca 0.26 0.23 -0.24 0.00 0.43 0.00 0.00 52.55 53.23 1wft s ASP 53 Cb -0.13 -1.90 -0.07 0.00 -0.30 0.00 0.00 42.92 40.51 1wft s ASP 53 CO 0.82 -0.19 1.32 0.54 -0.17 0.00 0.00 175.17 177.49 1wft s ASN 54 N -4.02 5.91 -0.20 -0.34 2.20 -1.26 -4.93 114.94 112.31 1wft s ASN 54 Ca 0.37 2.69 -0.29 0.00 -0.94 0.00 0.00 52.86 54.69 1wft s ASN 54 Cb -0.09 -2.64 -0.03 0.00 -2.00 0.00 0.00 41.25 36.49 1wft s ASN 54 CO 0.32 -1.13 1.60 -2.16 -2.94 0.00 0.00 177.10 172.79 1wft s PRO 55 N -2.53 3.86 0.06 3.55 0.04 -1.26 -5.00 135.00 133.72 1wft s PRO 55 Ca 0.63 1.71 0.03 0.00 0.04 0.00 0.00 61.00 63.41 1wft s PRO 55 Cb -0.38 -4.01 -0.03 0.00 0.04 0.00 0.00 34.50 30.11 1wft s PRO 55 CO 0.48 -1.22 -0.09 0.45 0.04 0.00 0.00 177.00 176.66 1wft s SER 56 N 4.00 1.13 -0.73 6.66 0.15 -1.26 -5.04 113.70 118.60 1wft s SER 56 Ca 0.70 -0.64 -0.16 0.00 0.70 0.00 0.00 55.95 56.56 1wft s SER 56 Cb -0.25 0.02 -0.19 0.00 -1.71 0.00 0.00 66.02 63.88 1wft s SER 56 CO 0.28 -0.21 1.82 1.67 1.20 0.00 0.00 173.24 178.01 1wft n GLN 57 N 1.18 0.00 -1.03 5.44 7.27 -1.26 -4.65 117.38 124.34 1wft n GLN 57 Ca -0.21 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.49 1wft n GLN 57 Cb 0.55 -0.96 -0.04 0.00 2.41 0.00 0.00 30.24 32.21 1wft n GLN 57 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1wft n LEU 58 N 6.26 -0.50 -4.78 1.69 4.77 -1.26 -4.87 117.00 118.31 1wft n LEU 58 Ca 0.49 0.81 -0.39 0.00 -0.03 0.00 0.00 56.01 56.89 1wft n LEU 58 Cb 0.05 -0.67 -0.06 0.00 -2.33 0.00 0.00 43.42 40.42 1wft n LEU 58 CO 0.73 -1.79 0.37 -0.69 -1.33 0.00 0.00 177.39 174.68 1wft s VAL 59 N -0.40 4.68 0.16 4.08 1.01 -1.26 -5.00 120.40 123.66 1wft s VAL 59 Ca 0.54 1.43 0.09 0.00 0.00 0.00 0.00 61.98 64.04 1wft s VAL 59 Cb -0.77 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 31.56 1wft s VAL 59 CO 0.40 0.48 -0.10 -0.36 0.00 0.00 0.00 175.10 175.52 1wft s PHE 60 N -0.71 2.65 -0.02 5.22 0.08 -1.26 -1.59 117.98 122.34 1wft s PHE 60 Ca 0.33 -0.21 0.05 0.00 0.12 0.00 0.00 56.93 57.22 1wft s PHE 60 Cb -0.20 -1.32 -0.01 0.00 -0.57 0.00 0.00 43.02 40.91 1wft s PHE 60 CO 0.21 0.48 -0.17 0.00 -0.10 0.00 0.00 175.22 175.64 1wft s MET 61 N -2.63 1.53 0.03 0.44 0.23 -1.11 -4.85 119.30 112.94 1wft s MET 61 Ca 0.23 -0.61 -0.30 0.00 -1.03 0.00 0.00 55.69 53.98 1wft s MET 61 Cb -0.09 -1.42 -0.09 0.00 -1.53 0.00 0.00 34.83 31.70 1wft s MET 61 CO 0.14 0.32 1.99 0.50 -2.03 0.00 0.00 175.02 175.95 1wft s ARG 62 N -0.24 4.10 -0.00 3.16 3.52 -1.26 -1.57 118.95 126.65 1wft s ARG 62 Ca 0.03 2.60 0.04 0.00 -0.13 0.00 0.00 55.73 58.27 1wft s ARG 62 Cb -0.08 -4.18 -0.06 0.00 -1.56 0.00 0.00 34.95 29.07 1wft s ARG 62 CO 0.00 -1.01 0.14 0.44 -0.81 0.00 0.00 175.30 174.07 1wft n ILE 63 N 5.65 0.00 -3.72 4.11 -5.35 -0.87 -4.95 119.36 114.23 1wft n ILE 63 Ca 0.20 -0.26 -0.12 0.00 -0.27 0.00 0.00 62.75 62.31 1wft n ILE 63 Cb 0.41 0.71 -0.11 0.00 -1.74 0.00 0.00 39.64 38.91 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 -1.84 -0.48 -0.38 4.28 5.04 -1.21 -5.05 117.35 117.71 1wft s TYR 64 Ca 0.00 1.08 0.03 0.00 -2.44 0.00 0.00 57.07 55.74 1wft s TYR 64 Cb 0.03 0.18 0.11 0.00 0.35 0.00 0.00 41.96 42.63 1wft s TYR 64 CO 0.18 -0.28 0.12 0.00 -1.34 0.00 0.00 175.55 174.24 1wft n GLY 66 N 4.09 2.81 0.00 0.00 0.00 -1.13 -5.05 105.19 105.91 1wft n GLY 66 Ca 0.03 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 -4.60 0.99 -0.00 -1.26 0.45 117.00 112.58 1wft n LEU 67 Ca 0.00 -0.04 -0.39 0.00 -0.00 0.00 0.00 56.01 55.58 1wft n LEU 67 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.45 1wft n LEU 67 CO 0.00 0.00 0.53 1.17 -0.00 0.00 0.00 177.39 179.09 1wft n LYS 68 N -1.16 1.09 -0.22 1.47 0.00 -1.26 -4.64 118.16 113.44 1wft n LYS 68 Ca 0.00 0.40 -0.03 0.00 0.00 0.00 0.00 58.31 58.69 1wft n LYS 68 Cb 0.00 -2.09 0.05 0.00 0.00 0.00 0.00 35.03 32.99 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 -1.18 1.17 -3.64 3.15 -2.24 -1.26 -4.73 114.28 105.54 1wft n THR 69 Ca 0.11 -0.34 -0.04 0.00 -2.27 0.00 0.00 64.05 61.51 1wft n THR 69 Cb 0.44 -0.77 -0.07 0.00 -2.10 0.00 0.00 70.33 67.83 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 0.35 -0.55 0.28 3.42 1.04 -1.26 -1.70 113.70 115.28 1wft s SER 70 Ca 0.11 0.90 0.04 0.00 0.48 0.00 0.00 55.95 57.48 1wft s SER 70 Cb 0.09 1.17 -0.06 0.00 0.10 0.00 0.00 66.02 67.32 1wft s SER 70 CO 0.02 -0.15 0.03 0.00 0.98 0.00 0.00 173.24 174.13 1wft s THR 72 N -3.38 2.39 -0.10 0.00 2.01 -1.26 0.36 115.64 115.66 1wft s THR 72 Ca 0.33 -0.96 0.02 0.00 0.31 0.00 0.00 61.69 61.39 1wft s THR 72 Cb 0.07 -1.88 -0.02 0.00 0.01 0.00 0.00 72.50 70.68 1wft s THR 72 CO 0.13 0.58 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.79 1wft s VAL 73 N -0.46 2.87 0.45 3.82 1.01 0.38 -4.96 120.40 123.51 1wft s VAL 73 Ca 0.05 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 1wft s VAL 73 Cb -0.12 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 1wft s VAL 73 CO 0.01 0.55 0.71 0.42 0.00 0.00 0.00 175.10 176.79 1wft s THR 74 N 0.03 4.63 0.10 3.92 -4.23 -1.26 -2.07 115.64 116.76 1wft s THR 74 Ca -0.06 -0.17 -0.19 0.00 -1.18 0.00 0.00 61.69 60.10 1wft s THR 74 Cb -0.15 -3.73 -0.07 0.00 1.34 0.00 0.00 72.50 69.89 1wft s THR 74 CO 0.05 -0.61 1.63 0.00 -0.54 0.00 0.00 174.62 175.15 1wft h ALA 75 N 0.37 0.31 -1.05 3.99 0.00 -1.98 -2.50 119.26 118.39 1wft h ALA 75 Ca -0.47 -0.12 0.37 0.00 0.00 0.00 0.00 54.91 54.68 1wft h ALA 75 Cb 1.22 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.77 1wft h ALA 75 CO 0.60 -0.08 0.61 0.78 0.00 0.00 0.00 179.25 181.16 1wft h GLY 76 N 0.23 1.99 1.40 0.00 0.00 -1.98 0.43 103.07 105.15 1wft h GLY 76 Ca 0.08 -0.19 -0.31 0.00 0.00 0.00 0.00 47.33 46.90 1wft h GLY 76 CO -0.01 -0.56 -1.39 1.46 0.00 0.00 0.00 176.54 176.05 1wft h GLN 77 N 0.20 0.45 -0.82 4.80 4.20 -1.92 -3.29 115.11 118.73 1wft h GLN 77 Ca 0.78 -0.76 0.14 0.00 0.06 0.00 0.00 58.65 58.87 1wft h GLN 77 Cb 1.97 0.28 -0.06 0.00 0.30 0.00 0.00 27.48 29.97 1wft h GLN 77 CO -0.62 1.36 0.54 -0.07 -0.67 0.00 0.00 178.83 179.37 1wft h LEU 78 N 0.13 0.54 -2.00 1.46 3.38 0.26 0.99 115.31 120.07 1wft h LEU 78 Ca -0.21 0.03 0.10 0.00 0.09 0.00 0.00 57.88 57.89 1wft h LEU 78 Cb 2.09 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.75 1wft h LEU 78 CO 0.25 0.29 0.24 0.00 0.09 0.00 0.00 178.44 179.31 1wft h ALA 79 N 1.62 2.32 0.00 1.53 0.00 -1.34 0.22 119.26 123.60 1wft h ALA 79 Ca 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1wft h ALA 79 Cb 0.73 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1wft h ALA 79 CO -0.16 -0.42 -0.42 -0.91 0.00 0.00 0.00 179.25 177.34 1wft h ASN 80 N 0.00 0.00 -2.56 0.00 2.35 -0.97 -3.46 115.58 110.93 1wft h ASN 80 Ca 0.16 -0.12 -0.53 0.00 -0.55 0.00 0.00 56.30 55.26 1wft h ASN 80 Cb 0.65 0.00 0.05 0.00 0.05 0.00 0.00 38.32 39.07 1wft h ASN 80 CO -0.00 0.06 1.02 0.00 -1.65 0.00 0.00 177.43 176.86 1wft n ALA 81 N -1.86 2.49 -2.44 -0.83 0.00 0.76 -3.64 120.51 114.99 1wft n ALA 81 Ca 0.04 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.43 1wft n ALA 81 Cb 0.45 -2.53 -0.03 0.00 0.00 0.00 0.00 19.45 17.35 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 1.64 3.16 -0.22 0.00 2.46 0.03 -4.90 115.29 117.46 1wft s HIS 82 Ca 0.78 1.18 -0.11 0.00 0.47 0.00 0.00 55.06 57.37 1wft s HIS 82 Cb -0.52 -3.44 -0.05 0.00 -0.13 0.00 0.00 32.58 28.44 1wft s HIS 82 CO 0.34 -1.42 0.19 0.42 -2.47 0.00 0.00 174.74 171.81 1wft s ILE 83 N 2.25 5.35 -0.70 0.89 -1.09 -1.26 -4.43 121.20 122.21 1wft s ILE 83 Ca 0.56 0.28 -0.16 0.00 -2.23 0.00 0.00 60.65 59.11 1wft s ILE 83 Cb -0.25 -3.53 0.17 0.00 -1.58 0.00 0.00 42.46 37.26 1wft s ILE 83 CO 0.22 0.36 0.67 -0.62 -1.23 0.00 0.00 174.94 174.35 1wft s ASP 84 N 0.84 6.48 0.09 3.58 2.15 -1.26 -4.87 116.67 123.69 1wft s ASP 84 Ca 0.10 -2.18 0.08 0.00 0.43 0.00 0.00 52.55 50.97 1wft s ASP 84 Cb -0.13 -2.23 -0.21 0.00 -0.30 0.00 0.00 42.92 40.05 1wft s ASP 84 CO 0.03 -0.76 1.18 1.88 -0.17 0.00 0.00 175.17 177.33 1wft h TYR 85 N 8.41 0.00 -0.48 -5.34 0.05 -1.95 -2.69 116.97 114.97 1wft h TYR 85 Ca -0.09 -0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.73 1wft h TYR 85 Cb 1.07 -0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.75 1wft h TYR 85 CO 0.90 1.00 -0.28 2.41 -1.05 0.00 0.00 178.16 181.14 1wft n THR 86 N -3.30 -0.33 -0.02 -2.88 -1.04 -1.26 -3.82 114.28 101.63 1wft n THR 86 Ca -0.03 1.70 -0.02 0.00 -2.04 0.00 0.00 64.05 63.67 1wft n THR 86 Cb 0.96 -2.16 -0.01 0.00 -1.82 0.00 0.00 70.33 67.31 1wft n THR 86 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1wft n SER 87 N -4.10 0.51 -3.73 8.00 7.64 -1.26 -5.03 113.62 115.65 1wft n SER 87 Ca 0.01 0.31 -0.12 0.00 1.01 0.00 0.00 58.87 60.07 1wft n SER 87 Cb 0.12 -0.60 -0.12 0.00 -1.01 0.00 0.00 64.21 62.61 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 -1.38 0.31 -0.83 1.43 3.52 -1.19 -5.10 118.95 115.72 1wft s ARG 88 Ca -0.05 0.57 -0.25 0.00 -0.13 0.00 0.00 55.73 55.87 1wft s ARG 88 Cb 0.01 0.01 -0.04 0.00 -1.56 0.00 0.00 34.95 33.36 1wft s ARG 88 CO 0.07 -0.12 1.93 -1.25 -0.81 0.00 0.00 175.30 175.12 1wft s PRO 89 N 0.92 2.57 0.07 5.12 0.04 -1.02 -4.44 135.00 138.26 1wft s PRO 89 Ca -0.06 -0.05 -0.03 0.00 0.04 0.00 0.00 61.00 60.90 1wft s PRO 89 Cb -0.07 -4.89 -0.03 0.00 0.04 0.00 0.00 34.50 29.55 1wft s PRO 89 CO -0.07 -3.22 0.03 0.00 0.04 0.00 0.00 177.00 173.78 1wft s ALA 90 N 9.87 0.40 -0.11 8.56 0.00 -1.26 -3.98 121.76 135.23 1wft s ALA 90 Ca 0.70 -1.12 -0.23 0.00 0.00 0.00 0.00 51.96 51.30 1wft s ALA 90 Cb -0.08 0.38 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 1wft s ALA 90 CO 0.05 -0.41 0.70 0.42 0.00 0.00 0.00 175.76 176.52 1wft s ILE 91 N -3.92 5.01 -0.58 0.00 1.01 0.14 -4.06 121.20 118.79 1wft s ILE 91 Ca 0.09 1.41 -0.23 0.00 0.00 0.00 0.00 60.65 61.92 1wft s ILE 91 Cb 0.07 -4.03 0.05 0.00 0.01 0.00 0.00 42.46 38.56 1wft s ILE 91 CO -0.09 0.18 0.93 -0.69 0.00 0.00 0.00 174.94 175.27 1wft s VAL 92 N 1.28 4.40 -0.17 2.92 1.01 -1.26 -1.11 120.40 127.48 1wft s VAL 92 Ca 0.35 0.01 -0.08 0.00 0.00 0.00 0.00 61.98 62.27 1wft s VAL 92 Cb -0.17 -4.57 -0.05 0.00 0.00 0.00 0.00 36.38 31.59 1wft s VAL 92 CO 0.15 -1.21 0.12 -0.36 0.00 0.00 0.00 175.10 173.81 1wft s PHE 93 N 3.91 3.46 -0.08 5.22 0.08 -0.59 -2.52 117.98 127.46 1wft s PHE 93 Ca 0.27 0.37 0.04 0.00 0.12 0.00 0.00 56.93 57.73 1wft s PHE 93 Cb -0.14 -2.06 -0.01 0.00 -0.57 0.00 0.00 43.02 40.23 1wft s PHE 93 CO 0.16 0.44 -0.21 0.50 -0.10 0.00 0.00 175.22 176.00 1wft s ARG 94 N -0.17 2.77 -0.01 0.44 3.00 -0.77 -1.81 118.95 122.40 1wft s ARG 94 Ca 0.10 -0.84 0.01 0.00 -1.00 0.00 0.00 55.73 54.00 1wft s ARG 94 Cb -0.11 -2.29 0.00 0.00 0.00 0.00 0.00 34.95 32.55 1wft s ARG 94 CO 0.00 0.35 -0.01 0.42 0.00 0.00 0.00 175.30 176.06 1wft s ILE 95 N -0.07 0.15 0.28 4.11 1.01 -1.14 -0.94 121.20 124.60 1wft s ILE 95 Ca -0.05 -0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.44 1wft s ILE 95 Cb -0.14 -0.16 0.00 0.00 0.01 0.00 0.00 42.46 42.17 1wft s ILE 95 CO 0.04 0.06 0.51 -0.55 0.00 0.00 0.00 174.94 175.00 1wft s SER 96 N 0.15 0.10 0.12 3.58 0.15 -1.21 -2.23 113.70 114.36 1wft s SER 96 Ca -0.01 -1.04 0.08 0.00 0.70 0.00 0.00 55.95 55.68 1wft s SER 96 Cb -0.03 0.63 -0.04 0.00 -1.71 0.00 0.00 66.02 64.86 1wft s SER 96 CO -0.00 -1.22 -0.13 0.00 1.20 0.00 0.00 173.24 173.09 1wft s ALA 97 N -3.70 2.85 -0.21 5.45 0.00 -1.26 -3.35 121.76 121.54 1wft s ALA 97 Ca 0.23 -1.33 -0.03 0.00 0.00 0.00 0.00 51.96 50.83 1wft s ALA 97 Cb -0.01 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 1wft s ALA 97 CO 0.11 0.59 -0.05 0.21 0.00 0.00 0.00 175.76 176.62 1wft s LYS 98 N -2.31 3.38 0.45 0.00 2.20 -1.18 -4.26 119.74 118.02 1wft s LYS 98 Ca 0.21 -0.63 0.04 0.00 -0.36 0.00 0.00 55.97 55.23 1wft s LYS 98 Cb -0.10 -2.97 -0.05 0.00 -1.51 0.00 0.00 37.83 33.20 1wft s LYS 98 CO 0.13 -0.15 0.01 0.54 -0.36 0.00 0.00 175.35 175.52 1wft s ASN 99 N 1.35 3.84 0.29 1.43 4.22 -0.34 -3.39 114.94 122.34 1wft s ASN 99 Ca 0.04 -1.50 0.17 0.00 -2.14 0.00 0.00 52.86 49.44 1wft s ASN 99 Cb -0.14 0.03 1.04 0.00 1.28 0.00 0.00 41.25 43.46 1wft s ASN 99 CO -0.03 -0.64 1.19 -0.62 -2.04 0.00 0.00 177.10 174.96 1wft n GLU 100 N -1.07 -0.04 0.01 3.55 1.02 -1.26 -0.18 120.64 122.66 1wft n GLU 100 Ca -0.11 1.02 -0.03 0.00 -0.02 0.00 0.00 57.16 58.03 1wft n GLU 100 Cb 0.67 -1.87 -0.01 0.00 -0.02 0.00 0.00 31.44 30.20 1wft n GLU 100 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1wft h LYS 101 N 0.00 -0.13 0.00 3.49 1.79 -2.00 -3.51 116.57 116.21 1wft h LYS 101 Ca 0.65 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.12 1wft h LYS 101 Cb 1.78 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.46 1wft h LYS 101 CO -0.54 -0.05 0.00 0.41 -1.08 0.00 0.00 179.45 178.19 1wft n GLY 102 N 1.42 -0.48 3.32 3.86 0.00 0.74 -5.11 105.19 108.95 1wft n GLY 102 Ca -0.02 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 2.82 0.00 1.61 2.02 -1.26 -1.20 117.35 121.33 1wft s TYR 103 Ca 0.00 -0.83 0.00 0.00 -0.37 0.00 0.00 57.07 55.87 1wft s TYR 103 Cb 0.00 -1.89 0.00 0.00 -0.40 0.00 0.00 41.96 39.67 1wft s TYR 103 CO 0.00 -0.35 0.00 0.41 -1.57 0.00 0.00 175.55 174.04 1wft n GLY 104 N 3.87 0.68 3.75 0.71 0.00 -1.26 -5.06 105.19 107.87 1wft n GLY 104 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 0.59 4.42 0.28 1.61 0.04 -1.26 -5.04 135.00 135.63 1wft s PRO 105 Ca 0.00 2.05 0.06 0.00 0.04 0.00 0.00 61.00 63.15 1wft s PRO 105 Cb 0.00 -3.17 -0.06 0.00 0.04 0.00 0.00 34.50 31.31 1wft s PRO 105 CO 0.00 -0.18 -0.03 0.00 0.04 0.00 0.00 177.00 176.84 1wft s ALA 106 N -0.32 2.26 -0.11 8.56 0.00 -1.26 -4.48 121.76 126.40 1wft s ALA 106 Ca 0.53 -1.91 0.01 0.00 0.00 0.00 0.00 51.96 50.59 1wft s ALA 106 Cb -0.36 0.32 0.02 0.00 0.00 0.00 0.00 23.12 23.09 1wft s ALA 106 CO 0.42 -0.14 -0.12 0.99 0.00 0.00 0.00 175.76 176.91 1wft s THR 107 N -3.13 1.26 -0.30 0.00 2.01 -0.95 -4.98 115.64 109.56 1wft s THR 107 Ca 0.30 -0.48 -0.09 0.00 0.31 0.00 0.00 61.69 61.73 1wft s THR 107 Cb 0.05 -1.20 -0.01 0.00 0.01 0.00 0.00 72.50 71.35 1wft s THR 107 CO 0.12 0.40 0.14 -1.58 -0.69 0.00 0.00 174.62 173.01 1wft s GLN 108 N 1.27 3.39 0.25 4.92 0.74 -1.26 -2.88 119.66 126.07 1wft s GLN 108 Ca -0.02 -0.68 0.11 0.00 0.05 0.00 0.00 55.36 54.81 1wft s GLN 108 Cb -0.14 -3.52 -0.05 0.00 1.10 0.00 0.00 33.01 30.40 1wft s GLN 108 CO -0.04 -0.38 -0.13 -1.50 -0.55 0.00 0.00 175.29 172.69 1wft s ILE 109 N 1.61 2.88 -0.14 -2.34 2.07 -0.75 -4.98 121.20 119.56 1wft s ILE 109 Ca 0.05 -2.08 0.00 0.00 -1.41 0.00 0.00 60.65 57.21 1wft s ILE 109 Cb -0.17 -2.50 0.02 0.00 0.13 0.00 0.00 42.46 39.95 1wft s ILE 109 CO 0.06 -0.31 -0.13 -0.13 -1.91 0.00 0.00 174.94 172.51 1wft s ARG 110 N -3.35 2.21 -0.22 3.50 0.52 -1.26 -1.54 118.95 118.81 1wft s ARG 110 Ca 0.28 -0.52 -0.09 0.00 -0.52 0.00 0.00 55.73 54.88 1wft s ARG 110 Cb -0.06 -2.03 -0.05 0.00 0.52 0.00 0.00 34.95 33.33 1wft s ARG 110 CO 0.16 -0.23 0.12 -0.46 0.02 0.00 0.00 175.30 174.91 1wft s TRP 111 N 1.48 3.28 -0.81 -0.53 -0.00 -0.26 -4.82 118.94 117.28 1wft s TRP 111 Ca 0.04 0.13 -0.25 0.00 -0.00 0.00 0.00 56.10 56.02 1wft s TRP 111 Cb -0.13 -2.19 0.05 0.00 -0.00 0.00 0.00 33.47 31.19 1wft s TRP 111 CO -0.10 0.08 1.27 -0.51 -0.00 0.00 0.00 176.95 177.69 1wft s LEU 112 N 0.82 3.53 0.07 5.86 1.43 -1.26 0.23 118.68 129.36 1wft s LEU 112 Ca 0.06 -0.86 0.01 0.00 -1.03 0.00 0.00 54.13 52.31 1wft s LEU 112 Cb -0.13 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 1wft s LEU 112 CO 0.02 -1.66 0.16 0.00 0.23 0.00 0.00 176.35 175.11 1wft s GLN 113 N 5.14 3.22 0.00 1.70 1.03 -1.26 -5.02 119.66 124.47 1wft s GLN 113 Ca 0.36 -0.54 0.00 0.00 0.04 0.00 0.00 55.36 55.21 1wft s GLN 113 Cb -0.07 -2.91 0.00 0.00 0.03 0.00 0.00 33.01 30.05 1wft s GLN 113 CO 0.07 0.59 0.67 0.41 -2.54 0.00 0.00 175.29 174.49 1wft n GLY 114 N 0.32 -2.19 3.63 2.60 0.00 -1.26 -4.88 105.19 103.41 1wft n GLY 114 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 1wft n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wft s ASN 115 N -2.03 -0.43 -0.89 1.61 4.22 -1.26 -5.10 114.94 111.06 1wft s ASN 115 Ca 0.00 0.69 -0.23 0.00 -2.14 0.00 0.00 52.86 51.18 1wft s ASN 115 Cb 0.00 1.20 0.07 0.00 1.28 0.00 0.00 41.25 43.79 1wft s ASN 115 CO 0.00 -0.11 1.28 -0.55 -2.04 0.00 0.00 177.10 175.68 1wft s SER 116 N 1.34 6.41 -0.66 3.54 0.15 -1.26 -4.96 113.70 118.25 1wft s SER 116 Ca -0.09 -1.30 -0.27 0.00 0.70 0.00 0.00 55.95 55.00 1wft s SER 116 Cb -0.03 -2.51 0.01 0.00 -1.71 0.00 0.00 66.02 61.77 1wft s SER 116 CO -0.14 -1.48 1.53 -0.75 1.20 0.00 0.00 173.24 173.60 1wft s LYS 117 N 4.52 2.99 -0.28 5.44 2.36 -1.26 -4.91 119.74 128.60 1wft s LYS 117 Ca 0.37 0.20 -0.25 0.00 -2.55 0.00 0.00 55.97 53.74 1wft s LYS 117 Cb -0.05 -4.25 0.13 0.00 -1.05 0.00 0.00 37.83 32.60 1wft s LYS 117 CO -0.02 -2.34 1.06 -1.54 1.55 0.00 0.00 175.35 174.06 1wft s SER 118 N 5.54 -0.43 0.25 1.43 1.04 -1.26 -5.18 113.70 115.09 1wft s SER 118 Ca 0.50 0.82 0.08 0.00 0.48 0.00 0.00 55.95 57.84 1wft s SER 118 Cb -0.10 0.84 -0.04 0.00 0.10 0.00 0.00 66.02 66.81 1wft s SER 118 CO 0.19 -0.14 0.07 -0.83 0.98 0.00 0.00 173.24 173.51 1wft s GLY 119 N 0.23 1.57 0.91 7.32 0.00 -1.26 -5.11 107.32 110.98 1wft s GLY 119 Ca 0.03 -1.53 -0.12 0.00 0.00 0.00 0.00 44.72 43.11 1wft s GLY 119 CO -0.07 -1.57 1.09 2.56 0.00 0.00 0.00 173.10 175.11 1wft s PRO 120 N -3.64 1.17 -0.24 2.90 0.04 -1.26 -5.00 135.00 128.97 1wft s PRO 120 Ca 0.31 0.78 0.11 0.00 0.04 0.00 0.00 61.00 62.25 1wft s PRO 120 Cb -0.07 -1.80 0.45 0.00 0.04 0.00 0.00 34.50 33.12 1wft s PRO 120 CO 0.22 -2.29 1.19 -1.13 0.04 0.00 0.00 177.00 175.02 1wft n SER 121 N -3.91 3.30 -3.68 6.66 3.41 -1.26 -5.00 113.62 113.14 1wft n SER 121 Ca 0.07 -3.46 -0.10 0.00 -0.26 0.00 0.00 58.87 55.12 1wft n SER 121 Cb 0.55 -0.41 -0.11 0.00 -0.26 0.00 0.00 64.21 63.99 1wft n SER 121 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wft s SER 122 N -3.41 -0.26 0.00 4.04 1.04 -1.26 -5.40 113.70 108.45 1wft s SER 122 Ca 0.43 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.72 1wft s SER 122 Cb 0.39 0.96 0.00 0.00 0.10 0.00 0.00 66.02 67.47 1wft s SER 122 CO -0.02 -0.21 0.43 0.61 0.98 0.00 0.00 173.24 175.03