#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wft n SER 2 N 0.00 4.94 -4.14 1.61 7.64 -1.26 -4.89 113.62 117.52 1wft n SER 2 Ca 0.00 -2.88 -0.14 0.00 1.01 0.00 0.00 58.87 56.86 1wft n SER 2 Cb 0.00 -1.59 -0.11 0.00 -1.01 0.00 0.00 64.21 61.50 1wft n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wft s SER 3 N 2.40 1.24 0.00 6.43 1.04 -1.26 -4.82 113.70 118.73 1wft s SER 3 Ca 0.48 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 56.18 1wft s SER 3 Cb 0.14 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1wft s SER 3 CO -0.06 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.51 1wft n GLY 4 N 0.84 1.73 0.00 7.32 0.00 -1.26 -4.51 105.19 109.30 1wft n GLY 4 Ca -0.18 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1wft n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wft n SER 5 N 4.27 0.00 -3.72 1.61 2.88 -1.26 -4.80 113.62 112.60 1wft n SER 5 Ca 0.00 0.44 -0.53 0.00 -1.33 0.00 0.00 58.87 57.46 1wft n SER 5 Cb 0.00 -0.42 -0.10 0.00 -0.75 0.00 0.00 64.21 62.94 1wft n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wft n SER 6 N -1.75 0.68 -2.80 -3.46 7.64 -1.26 -4.90 113.62 107.77 1wft n SER 6 Ca 0.00 0.62 -0.09 0.00 1.01 0.00 0.00 58.87 60.41 1wft n SER 6 Cb 0.00 -0.78 0.05 0.00 -1.01 0.00 0.00 64.21 62.47 1wft n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wft n GLY 7 N 6.32 0.10 3.73 0.23 0.00 -1.26 -4.68 105.19 109.63 1wft n GLY 7 Ca 0.46 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 1wft n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wft s PRO 8 N -3.53 4.37 0.76 1.61 0.04 -1.26 -4.93 135.00 132.06 1wft s PRO 8 Ca 0.24 2.04 -0.16 0.00 0.04 0.00 0.00 61.00 63.16 1wft s PRO 8 Cb -0.01 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.26 1wft s PRO 8 CO 0.16 -0.30 0.31 0.41 0.04 0.00 0.00 177.00 177.62 1wft n GLY 9 N 2.68 -2.10 3.77 0.56 0.00 -1.26 -4.25 105.19 104.59 1wft n GLY 9 Ca 0.08 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 1wft n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wft s ALA 10 N -1.99 2.73 0.46 4.61 0.00 -1.26 -4.71 121.76 121.59 1wft s ALA 10 Ca 0.61 0.84 -0.23 0.00 0.00 0.00 0.00 51.96 53.18 1wft s ALA 10 Cb -0.33 -3.36 -0.07 0.00 0.00 0.00 0.00 23.12 19.35 1wft s ALA 10 CO 0.63 -0.76 1.16 -1.25 0.00 0.00 0.00 175.76 175.54 1wft s PRO 11 N -3.21 3.78 0.39 0.00 0.04 -1.26 -4.60 135.00 130.14 1wft s PRO 11 Ca 0.72 1.78 0.07 0.00 0.04 0.00 0.00 61.00 63.61 1wft s PRO 11 Cb -0.24 -2.42 -0.08 0.00 0.04 0.00 0.00 34.50 31.80 1wft s PRO 11 CO 0.28 -0.54 -0.01 -1.12 0.04 0.00 0.00 177.00 175.65 1wft s SER 12 N -1.35 3.80 -1.21 6.66 0.01 -1.10 -4.80 113.70 115.71 1wft s SER 12 Ca 0.63 -1.34 -0.00 0.00 1.31 0.00 0.00 55.95 56.55 1wft s SER 12 Cb -0.29 -0.38 0.00 0.00 0.21 0.00 0.00 66.02 65.56 1wft s SER 12 CO 0.35 -0.41 0.98 0.41 0.41 0.00 0.00 173.24 174.99 1wft n THR 13 N -0.92 -5.85 -3.35 1.44 -1.04 -1.26 -1.59 114.28 101.71 1wft n THR 13 Ca -0.05 -0.49 -0.42 0.00 -2.04 0.00 0.00 64.05 61.05 1wft n THR 13 Cb 0.66 -4.91 -0.09 0.00 -1.82 0.00 0.00 70.33 64.18 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 -3.38 5.12 0.25 12.58 1.01 -1.26 -3.58 120.40 131.13 1wft s VAL 14 Ca 0.01 -0.21 0.11 0.00 0.00 0.00 0.00 61.98 61.89 1wft s VAL 14 Cb -0.00 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1wft s VAL 14 CO 0.74 -0.31 -0.19 0.00 0.00 0.00 0.00 175.10 175.34 1wft s ARG 15 N 2.09 1.56 -0.15 2.72 1.70 -0.26 -4.99 118.95 121.63 1wft s ARG 15 Ca 0.12 -1.68 -0.00 0.00 -0.47 0.00 0.00 55.73 53.69 1wft s ARG 15 Cb -0.17 -1.61 0.03 0.00 -0.57 0.00 0.00 34.95 32.63 1wft s ARG 15 CO 0.13 0.30 -0.08 0.42 -1.08 0.00 0.00 175.30 174.99 1wft s ILE 16 N -2.50 1.19 0.08 4.99 1.01 -1.26 -2.00 121.20 122.73 1wft s ILE 16 Ca 0.27 -0.53 0.06 0.00 0.00 0.00 0.00 60.65 60.45 1wft s ILE 16 Cb -0.04 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 1wft s ILE 16 CO 0.12 0.28 -0.08 -0.44 0.00 0.00 0.00 174.94 174.82 1wft s SER 17 N 1.62 4.54 0.12 3.58 0.01 -0.91 -4.99 113.70 117.68 1wft s SER 17 Ca 0.03 -0.31 -0.30 0.00 1.31 0.00 0.00 55.95 56.67 1wft s SER 17 Cb -0.14 -0.94 -0.07 0.00 0.21 0.00 0.00 66.02 65.08 1wft s SER 17 CO -0.08 0.19 1.25 -0.75 0.41 0.00 0.00 173.24 174.26 1wft s LYS 18 N -2.09 4.42 0.41 12.44 2.47 -1.26 -0.73 119.74 135.40 1wft s LYS 18 Ca 0.21 1.90 0.08 0.00 -1.56 0.00 0.00 55.97 56.60 1wft s LYS 18 Cb -0.11 -3.28 -0.01 0.00 -1.46 0.00 0.00 37.83 32.97 1wft s LYS 18 CO 0.13 -0.24 0.41 1.21 0.16 0.00 0.00 175.35 177.02 1wft s ASN 19 N 0.71 5.21 0.10 1.43 3.84 -0.17 -4.77 114.94 121.29 1wft s ASN 19 Ca 0.58 -0.65 0.27 0.00 0.21 0.00 0.00 52.86 53.27 1wft s ASN 19 Cb -0.33 -0.63 0.84 0.00 -0.55 0.00 0.00 41.25 40.57 1wft s ASN 19 CO 0.33 -0.65 1.71 0.52 -2.79 0.00 0.00 177.10 176.22 1wft n VAL 20 N -1.60 0.29 -0.28 -5.21 0.31 -1.26 -3.55 118.33 107.04 1wft n VAL 20 Ca 0.04 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1wft n VAL 20 Cb 0.61 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 1wft n VAL 20 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1wft n ASP 21 N -1.90 1.49 0.00 4.52 2.03 -1.26 -3.72 116.55 117.71 1wft n ASP 21 Ca 0.06 -1.76 0.00 0.00 0.52 0.00 0.00 54.79 53.61 1wft n ASP 21 Cb 0.39 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 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 -0.38 -0.13 3.22 0.27 0.00 -1.23 -3.91 105.19 103.03 1wft n GLY 22 Ca 0.00 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 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 1.66 -0.48 -0.61 1.01 -0.35 -1.00 121.20 121.43 1wft s ILE 23 Ca 0.00 -0.89 -0.09 0.00 0.00 0.00 0.00 60.65 59.67 1wft s ILE 23 Cb 0.00 -1.38 0.12 0.00 0.01 0.00 0.00 42.46 41.21 1wft s ILE 23 CO 0.00 0.47 0.35 -2.28 0.00 0.00 0.00 174.94 173.48 1wft s HIS 24 N -0.44 3.44 -0.18 3.97 2.46 0.09 -0.17 115.29 124.46 1wft s HIS 24 Ca 0.07 -1.93 -0.24 0.00 0.47 0.00 0.00 55.06 53.43 1wft s HIS 24 Cb -0.09 -3.48 -0.02 0.00 -0.13 0.00 0.00 32.58 28.86 1wft s HIS 24 CO -0.00 -0.99 0.75 -1.17 -2.47 0.00 0.00 174.74 170.86 1wft s LEU 25 N 1.30 4.16 0.05 8.88 2.96 0.74 -2.14 118.68 134.63 1wft s LEU 25 Ca 0.06 1.04 0.04 0.00 -0.22 0.00 0.00 54.13 55.05 1wft s LEU 25 Cb -0.26 -3.10 -0.02 0.00 0.50 0.00 0.00 46.19 43.31 1wft s LEU 25 CO -0.01 -0.36 -0.12 -0.94 -1.32 0.00 0.00 176.35 173.60 1wft s SER 26 N 1.18 1.40 0.34 3.68 1.04 -0.84 0.00 113.70 120.50 1wft s SER 26 Ca 0.34 -0.50 -0.09 0.00 0.48 0.00 0.00 55.95 56.19 1wft s SER 26 Cb -0.16 -0.05 0.03 0.00 0.10 0.00 0.00 66.02 65.94 1wft s SER 26 CO 0.11 -0.05 0.60 -2.67 0.98 0.00 0.00 173.24 172.21 1wft n TRP 27 N 1.68 -1.88 -4.25 5.02 2.14 -1.03 -1.11 117.44 118.02 1wft n TRP 27 Ca -0.20 -1.85 -0.19 0.00 2.07 0.00 0.00 57.50 57.33 1wft n TRP 27 Cb 0.55 0.70 -0.11 0.00 -0.81 0.00 0.00 31.31 31.63 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 -2.34 1.05 0.87 -2.67 0.41 -0.62 -4.78 118.70 110.62 1wft s GLU 28 Ca 0.19 -1.22 -0.11 0.00 -0.41 0.00 0.00 54.97 53.41 1wft s GLU 28 Cb -0.03 -1.02 0.11 0.00 -1.78 0.00 0.00 34.13 31.41 1wft s GLU 28 CO 0.14 0.21 1.09 -1.25 -0.49 0.00 0.00 175.26 174.96 1wft s PRO 29 N -2.49 1.50 0.51 0.39 0.04 -1.26 -2.71 135.00 130.97 1wft s PRO 29 Ca 0.08 0.91 -0.21 0.00 0.04 0.00 0.00 61.00 61.82 1wft s PRO 29 Cb -0.06 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.58 1wft s PRO 29 CO 0.04 -2.10 1.14 -1.25 0.04 0.00 0.00 177.00 174.87 1wft s PRO 30 N -4.93 3.52 0.23 0.56 0.04 -1.26 -4.41 135.00 128.75 1wft s PRO 30 Ca 0.63 1.68 -0.07 0.00 0.04 0.00 0.00 61.00 63.28 1wft s PRO 30 Cb -0.18 -2.17 0.20 0.00 0.04 0.00 0.00 34.50 32.39 1wft s PRO 30 CO 0.57 -0.73 1.83 0.00 0.04 0.00 0.00 177.00 178.71 1wft h THR 31 N 1.47 1.26 -3.88 1.26 1.03 -1.94 -3.43 112.91 108.69 1wft h THR 31 Ca -0.50 -0.70 -0.49 0.00 -0.01 0.00 0.00 66.41 64.71 1wft h THR 31 Cb 1.26 0.12 0.01 0.00 -1.07 0.00 0.00 68.15 68.46 1wft h THR 31 CO 0.58 0.31 0.41 -0.44 -0.01 0.00 0.00 175.52 176.37 1wft s SER 32 N -6.28 7.13 0.40 0.00 0.01 -1.26 -4.95 113.70 108.74 1wft s SER 32 Ca -0.13 2.05 0.19 0.00 1.31 0.00 0.00 55.95 59.38 1wft s SER 32 Cb 0.17 -2.60 0.82 0.00 0.21 0.00 0.00 66.02 64.62 1wft s SER 32 CO 0.83 -0.23 1.81 1.55 0.41 0.00 0.00 173.24 177.62 1wft h PRO 33 N 3.21 0.00 -5.18 12.44 0.13 -2.03 -3.47 132.00 137.10 1wft h PRO 33 Ca -0.47 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.47 1wft h PRO 33 Cb 1.21 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.27 1wft h PRO 33 CO 0.65 0.34 -0.27 0.45 -0.23 0.00 0.00 178.00 178.94 1wft n SER 34 N -3.69 -2.02 0.00 1.44 2.88 -1.26 -4.18 113.62 106.79 1wft n SER 34 Ca -0.01 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1wft n SER 34 Cb 0.44 -1.79 0.00 0.00 -0.75 0.00 0.00 64.21 62.11 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 -0.73 2.11 3.42 0.46 0.00 -1.26 -4.58 105.19 104.60 1wft n GLY 35 Ca -0.01 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 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 5.85 -0.49 1.61 -0.87 -1.26 -5.05 114.94 110.73 1wft s ASN 36 Ca 0.00 -0.88 -0.25 0.00 -1.57 0.00 0.00 52.86 50.16 1wft s ASN 36 Cb 0.00 -2.07 0.03 0.00 -0.02 0.00 0.00 41.25 39.19 1wft s ASN 36 CO 0.00 -0.38 0.94 -0.63 -2.57 0.00 0.00 177.10 174.46 1wft s ILE 37 N 1.61 4.43 0.86 0.60 -1.09 -1.26 -4.76 121.20 121.59 1wft s ILE 37 Ca 0.03 0.61 -0.13 0.00 -2.23 0.00 0.00 60.65 58.93 1wft s ILE 37 Cb -0.19 -4.48 0.11 0.00 -1.58 0.00 0.00 42.46 36.33 1wft s ILE 37 CO 0.08 -0.94 1.19 -0.76 -1.23 0.00 0.00 174.94 173.28 1wft s LEU 38 N 3.86 2.38 0.83 2.97 1.43 -1.05 -5.00 118.68 124.10 1wft s LEU 38 Ca 0.35 0.76 -0.16 0.00 -1.03 0.00 0.00 54.13 54.05 1wft s LEU 38 Cb -0.11 -3.15 -0.08 0.00 0.03 0.00 0.00 46.19 42.89 1wft s LEU 38 CO 0.24 -2.19 -0.06 -0.62 0.23 0.00 0.00 176.35 173.95 1wft n GLU 39 N -3.50 0.02 -3.11 1.70 1.02 -1.26 -4.47 120.64 111.04 1wft n GLU 39 Ca 0.09 0.03 -0.20 0.00 -0.02 0.00 0.00 57.16 57.05 1wft n GLU 39 Cb 0.60 -1.41 0.01 0.00 -0.02 0.00 0.00 31.44 30.62 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 -2.06 3.06 -0.12 -0.32 2.02 0.20 -3.96 117.35 116.17 1wft s TYR 40 Ca 0.54 -0.07 -0.09 0.00 -0.37 0.00 0.00 57.07 57.07 1wft s TYR 40 Cb -0.29 -2.28 0.04 0.00 -0.40 0.00 0.00 41.96 39.03 1wft s TYR 40 CO 0.70 -0.33 0.31 0.45 -1.57 0.00 0.00 175.55 175.11 1wft s SER 41 N -4.26 -0.34 -0.12 2.29 0.15 -1.25 -3.20 113.70 106.99 1wft s SER 41 Ca 0.50 0.64 0.02 0.00 0.70 0.00 0.00 55.95 57.80 1wft s SER 41 Cb -0.10 0.60 -0.01 0.00 -1.71 0.00 0.00 66.02 64.80 1wft s SER 41 CO 0.35 -0.13 -0.17 0.00 1.20 0.00 0.00 173.24 174.48 1wft s ALA 42 N 0.61 2.44 0.23 5.45 0.00 -1.14 -3.50 121.76 125.85 1wft s ALA 42 Ca -0.04 -0.92 0.09 0.00 0.00 0.00 0.00 51.96 51.09 1wft s ALA 42 Cb -0.05 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 1wft s ALA 42 CO -0.04 0.27 -0.02 0.71 0.00 0.00 0.00 175.76 176.68 1wft s TYR 43 N 0.33 2.70 -0.03 0.00 1.51 -0.59 -1.20 117.35 120.07 1wft s TYR 43 Ca -0.14 -0.21 -0.00 0.00 -1.01 0.00 0.00 57.07 55.71 1wft s TYR 43 Cb -0.17 -1.24 0.03 0.00 -0.11 0.00 0.00 41.96 40.47 1wft s TYR 43 CO 0.07 0.58 0.01 -1.17 -1.11 0.00 0.00 175.55 173.94 1wft s LEU 44 N -3.39 0.97 0.28 -1.29 2.96 -0.87 -2.62 118.68 114.72 1wft s LEU 44 Ca 0.29 -0.01 -0.30 0.00 -0.22 0.00 0.00 54.13 53.90 1wft s LEU 44 Cb -0.07 -0.20 -0.13 0.00 0.50 0.00 0.00 46.19 46.28 1wft s LEU 44 CO 0.19 -0.13 1.33 0.00 -1.32 0.00 0.00 176.35 176.41 1wft n ALA 45 N 4.38 1.04 -2.30 5.97 0.00 -1.26 -1.73 120.51 126.62 1wft n ALA 45 Ca -0.22 0.39 -0.16 0.00 0.00 0.00 0.00 53.44 53.45 1wft n ALA 45 Cb 0.50 -2.24 -0.10 0.00 0.00 0.00 0.00 19.45 17.61 1wft n ALA 45 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1wft s ILE 46 N -0.52 0.43 -0.13 0.00 -4.36 0.16 -2.96 121.20 113.82 1wft s ILE 46 Ca 0.63 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.97 1wft s ILE 46 Cb -0.63 -2.59 0.06 0.00 1.25 0.00 0.00 42.46 40.55 1wft s ILE 46 CO 0.55 0.00 0.27 -0.13 0.24 0.00 0.00 174.94 175.87 1wft s ARG 47 N -4.01 0.18 -0.01 0.37 1.81 -1.25 -4.21 118.95 111.84 1wft s ARG 47 Ca 0.38 0.71 -0.21 0.00 -1.72 0.00 0.00 55.73 54.89 1wft s ARG 47 Cb 0.07 -0.04 -0.24 0.00 -0.45 0.00 0.00 34.95 34.30 1wft s ARG 47 CO 0.14 -0.25 1.07 0.00 -0.68 0.00 0.00 175.30 175.59 1wft h THR 48 N 6.14 1.45 -3.90 0.02 1.03 -1.99 -3.48 112.91 112.17 1wft h THR 48 Ca -0.22 -2.10 -0.14 0.00 -0.01 0.00 0.00 66.41 63.94 1wft h THR 48 Cb 1.13 2.66 -0.09 0.00 -1.07 0.00 0.00 68.15 70.78 1wft h THR 48 CO 0.20 0.60 -0.20 0.00 -0.01 0.00 0.00 175.52 176.12 1wft s ALA 49 N -3.14 0.23 -0.22 0.00 0.00 -1.26 -5.11 121.76 112.26 1wft s ALA 49 Ca -0.14 -1.17 -0.36 0.00 0.00 0.00 0.00 51.96 50.29 1wft s ALA 49 Cb 0.03 1.13 -0.13 0.00 0.00 0.00 0.00 23.12 24.15 1wft s ALA 49 CO 0.81 -0.80 1.93 1.04 0.00 0.00 0.00 175.76 178.74 1wft n GLN 50 N -0.42 1.55 -1.36 0.00 6.02 -1.26 -4.88 117.38 117.03 1wft n GLN 50 Ca -0.01 0.54 -0.36 0.00 -0.01 0.00 0.00 57.00 57.16 1wft n GLN 50 Cb 0.62 -2.43 0.07 0.00 1.02 0.00 0.00 30.24 29.52 1wft n GLN 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wft n MET 51 N 6.70 0.48 -0.11 -1.09 0.00 -1.26 -4.97 117.12 116.87 1wft n MET 51 Ca 0.29 0.21 -0.23 0.00 0.00 0.00 0.00 57.70 57.97 1wft n MET 51 Cb 0.23 -2.05 -0.08 0.00 0.00 0.00 0.00 33.22 31.31 1wft n MET 51 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 1wft n GLN 52 N -1.29 0.46 -2.54 3.17 0.00 -1.26 -5.02 117.38 110.91 1wft n GLN 52 Ca 0.12 0.20 -0.27 0.00 -0.00 0.00 0.00 57.00 57.05 1wft n GLN 52 Cb 0.49 -1.28 0.01 0.00 0.00 0.00 0.00 30.24 29.46 1wft n GLN 52 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.06 177.22 1wft s ASP 53 N -6.94 6.11 0.31 1.69 -4.77 -1.26 -5.00 116.67 106.82 1wft s ASP 53 Ca -0.30 0.91 -0.25 0.00 -3.30 0.00 0.00 52.55 49.60 1wft s ASP 53 Cb 0.12 -2.14 -0.15 0.00 -1.09 0.00 0.00 42.92 39.65 1wft s ASP 53 CO 0.38 -0.70 0.46 -0.46 0.70 0.00 0.00 175.17 175.55 1wft n ASN 54 N -2.36 -1.35 -4.56 2.11 6.94 -1.26 -4.74 115.26 110.04 1wft n ASN 54 Ca 0.02 1.00 -0.27 0.00 -0.02 0.00 0.00 54.58 55.31 1wft n ASN 54 Cb 0.56 -1.00 -0.05 0.00 -2.36 0.00 0.00 39.78 36.92 1wft n ASN 54 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1wft s PRO 55 N -1.18 2.54 0.17 -0.53 0.04 -1.26 -4.49 135.00 130.28 1wft s PRO 55 Ca 0.62 -0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.16 1wft s PRO 55 Cb -0.75 -5.11 0.00 0.00 0.04 0.00 0.00 34.50 28.68 1wft s PRO 55 CO 0.59 -3.52 0.00 -1.13 0.04 0.00 0.00 177.00 172.97 1wft n SER 56 N 14.07 0.67 -4.80 6.66 3.41 -1.26 -5.08 113.62 127.29 1wft n SER 56 Ca 0.41 0.26 -0.35 0.00 -0.26 0.00 0.00 58.87 58.93 1wft n SER 56 Cb 0.47 -0.08 -0.07 0.00 -0.26 0.00 0.00 64.21 64.27 1wft n SER 56 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1wft s GLN 57 N -1.99 4.38 0.17 4.33 -0.21 -1.26 -5.08 119.66 120.00 1wft s GLN 57 Ca 0.00 1.15 0.05 0.00 0.02 0.00 0.00 55.36 56.58 1wft s GLN 57 Cb 0.00 -2.57 -0.05 0.00 1.00 0.00 0.00 33.01 31.40 1wft s GLN 57 CO 0.00 0.18 -0.10 -0.51 -2.12 0.00 0.00 175.29 172.74 1wft s LEU 58 N -2.50 2.50 -0.31 2.90 1.43 -1.26 -5.13 118.68 116.31 1wft s LEU 58 Ca 0.54 -1.04 0.03 0.00 -1.03 0.00 0.00 54.13 52.63 1wft s LEU 58 Cb -0.14 -0.43 0.08 0.00 0.03 0.00 0.00 46.19 45.73 1wft s LEU 58 CO 0.19 -0.31 -0.01 -0.69 0.23 0.00 0.00 176.35 175.76 1wft s VAL 59 N -3.24 2.31 -0.14 -1.59 1.01 -1.26 -5.02 120.40 112.47 1wft s VAL 59 Ca 0.20 -2.01 -0.18 0.00 0.00 0.00 0.00 61.98 59.99 1wft s VAL 59 Cb 0.02 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1wft s VAL 59 CO 0.03 -0.35 0.47 -0.36 0.00 0.00 0.00 175.10 174.89 1wft s PHE 60 N 1.00 3.47 -0.08 5.22 0.40 -1.26 0.36 117.98 127.09 1wft s PHE 60 Ca 0.02 0.83 0.03 0.00 -0.60 0.00 0.00 56.93 57.22 1wft s PHE 60 Cb -0.20 -2.56 -0.01 0.00 0.51 0.00 0.00 43.02 40.76 1wft s PHE 60 CO -0.06 0.10 -0.19 0.00 0.70 0.00 0.00 175.22 175.77 1wft s MET 61 N 0.88 2.86 0.07 0.44 0.23 -0.70 -4.74 119.30 118.34 1wft s MET 61 Ca 0.25 -0.79 -0.36 0.00 -1.03 0.00 0.00 55.69 53.76 1wft s MET 61 Cb -0.15 -2.37 -0.16 0.00 -1.53 0.00 0.00 34.83 30.62 1wft s MET 61 CO 0.10 0.36 1.46 -2.13 -2.03 0.00 0.00 175.02 172.78 1wft n ARG 62 N 3.06 1.49 -0.01 3.16 0.00 -1.26 -2.05 116.66 121.05 1wft n ARG 62 Ca -0.18 0.54 -0.01 0.00 -0.00 0.00 0.00 57.85 58.20 1wft n ARG 62 Cb 0.52 -2.23 -0.02 0.00 0.00 0.00 0.00 32.46 30.73 1wft n ARG 62 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 1wft n ILE 63 N 3.06 0.18 -4.40 5.15 -5.35 -0.34 -4.91 119.36 112.74 1wft n ILE 63 Ca 0.19 -0.11 -0.26 0.00 -0.27 0.00 0.00 62.75 62.30 1wft n ILE 63 Cb 0.22 -0.91 -0.17 0.00 -1.74 0.00 0.00 39.64 37.04 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 -2.06 1.59 -0.29 4.28 5.04 -1.18 -5.04 117.35 119.68 1wft s TYR 64 Ca -0.01 -0.68 0.03 0.00 -2.44 0.00 0.00 57.07 53.97 1wft s TYR 64 Cb 0.01 -1.19 0.07 0.00 0.35 0.00 0.00 41.96 41.20 1wft s TYR 64 CO 0.10 -0.38 -0.04 0.00 -1.34 0.00 0.00 175.55 173.89 1wft n GLY 66 N 4.40 0.74 0.03 0.00 0.00 -1.19 -5.04 105.19 104.13 1wft n GLY 66 Ca -0.08 -0.77 -0.02 0.00 0.00 0.00 0.00 46.02 45.15 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 -4.46 0.99 -0.00 -1.26 -0.63 117.00 111.64 1wft n LEU 67 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.59 1wft n LEU 67 Cb 0.00 0.15 0.01 0.00 -0.00 0.00 0.00 43.42 43.58 1wft n LEU 67 CO 0.00 0.15 0.11 1.17 -0.00 0.00 0.00 177.39 178.82 1wft n LYS 68 N -2.18 0.62 -1.01 1.47 3.00 -1.26 -4.51 118.16 114.29 1wft n LYS 68 Ca -0.11 0.23 -0.22 0.00 -0.00 0.00 0.00 58.31 58.21 1wft n LYS 68 Cb 0.63 -1.54 0.06 0.00 0.00 0.00 0.00 35.03 34.18 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 -0.84 2.98 -3.56 3.15 -2.24 -1.26 -4.80 114.28 107.71 1wft n THR 69 Ca 0.11 -1.96 -0.00 0.00 -2.27 0.00 0.00 64.05 59.93 1wft n THR 69 Cb 0.39 -1.19 -0.06 0.00 -2.10 0.00 0.00 70.33 67.38 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 -0.50 -0.42 0.28 3.42 1.04 -1.26 -2.45 113.70 113.81 1wft s SER 70 Ca 0.42 0.64 0.04 0.00 0.48 0.00 0.00 55.95 57.52 1wft s SER 70 Cb 0.33 1.28 -0.06 0.00 0.10 0.00 0.00 66.02 67.67 1wft s SER 70 CO 0.00 -0.10 0.03 0.00 0.98 0.00 0.00 173.24 174.16 1wft s THR 72 N -3.37 1.54 -0.24 0.00 2.01 -1.26 -0.18 115.64 114.14 1wft s THR 72 Ca 0.33 -0.78 -0.04 0.00 0.31 0.00 0.00 61.69 61.50 1wft s THR 72 Cb 0.07 -1.32 -0.00 0.00 0.01 0.00 0.00 72.50 71.26 1wft s THR 72 CO 0.12 0.44 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.79 1wft s VAL 73 N -0.03 3.49 0.57 3.82 1.01 0.76 -4.94 120.40 125.07 1wft s VAL 73 Ca -0.03 -0.57 -0.15 0.00 0.00 0.00 0.00 61.98 61.23 1wft s VAL 73 Cb -0.12 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 1wft s VAL 73 CO 0.02 0.33 1.02 0.42 0.00 0.00 0.00 175.10 176.89 1wft s THR 74 N 1.47 4.26 0.10 3.92 -4.23 -1.26 -1.21 115.64 118.69 1wft s THR 74 Ca 0.05 1.02 -0.31 0.00 -1.18 0.00 0.00 61.69 61.26 1wft s THR 74 Cb -0.15 -3.60 -0.12 0.00 1.34 0.00 0.00 72.50 69.97 1wft s THR 74 CO -0.02 -0.69 1.50 0.00 -0.54 0.00 0.00 174.62 174.87 1wft h ALA 75 N 0.50 -0.89 -1.14 3.99 0.00 -1.96 -0.57 119.26 119.19 1wft h ALA 75 Ca -0.46 -0.07 0.42 0.00 0.00 0.00 0.00 54.91 54.80 1wft h ALA 75 Cb 1.20 0.93 -0.15 0.00 0.00 0.00 0.00 17.79 19.77 1wft h ALA 75 CO 0.60 -1.05 0.69 0.41 0.00 0.00 0.00 179.25 179.90 1wft n GLY 76 N -1.41 -0.75 0.19 0.00 0.00 -1.26 0.16 105.19 102.12 1wft n GLY 76 Ca -0.06 0.73 -0.18 0.00 0.00 0.00 0.00 46.02 46.51 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 0.66 -0.57 1.61 1.08 -1.51 -3.19 115.11 113.19 1wft h GLN 77 Ca 0.81 -0.58 0.07 0.00 -1.45 0.00 0.00 58.65 57.50 1wft h GLN 77 Cb 2.42 0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 29.95 1wft h GLN 77 CO -0.55 1.20 0.38 -0.07 -0.95 0.00 0.00 178.83 178.83 1wft h LEU 78 N 0.32 0.43 -0.82 1.46 3.38 0.23 0.30 115.31 120.60 1wft h LEU 78 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1wft h LEU 78 Cb 1.38 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1wft h LEU 78 CO 0.15 0.28 0.11 0.00 0.09 0.00 0.00 178.44 179.06 1wft n ALA 79 N -2.50 0.86 -0.00 1.53 0.00 -0.64 0.08 120.51 119.84 1wft n ALA 79 Ca 0.08 0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.70 1wft n ALA 79 Cb 0.27 -1.02 -0.13 0.00 0.00 0.00 0.00 19.45 18.57 1wft n ALA 79 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wft n ASN 80 N -1.93 0.23 -4.74 0.00 3.02 0.09 -4.94 115.26 106.99 1wft n ASN 80 Ca -0.01 0.09 -0.42 0.00 -0.03 0.00 0.00 54.58 54.22 1wft n ASN 80 Cb 0.13 1.40 -0.02 0.00 -0.61 0.00 0.00 39.78 40.67 1wft n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wft s ALA 81 N -3.27 3.73 -0.50 5.41 0.00 0.11 -3.81 121.76 123.44 1wft s ALA 81 Ca -0.07 1.46 -0.18 0.00 0.00 0.00 0.00 51.96 53.18 1wft s ALA 81 Cb 0.11 -3.62 0.06 0.00 0.00 0.00 0.00 23.12 19.68 1wft s ALA 81 CO 0.87 -0.87 0.56 -1.58 0.00 0.00 0.00 175.76 174.74 1wft s HIS 82 N 0.29 3.11 0.11 0.00 2.46 -1.15 -4.99 115.29 115.12 1wft s HIS 82 Ca 0.64 -0.68 -0.28 0.00 0.47 0.00 0.00 55.06 55.21 1wft s HIS 82 Cb -0.45 -3.44 -0.06 0.00 -0.13 0.00 0.00 32.58 28.49 1wft s HIS 82 CO 0.42 -0.97 0.88 0.42 -2.47 0.00 0.00 174.74 173.03 1wft s ILE 83 N 2.32 4.51 -0.47 0.89 1.01 -1.26 -4.63 121.20 123.56 1wft s ILE 83 Ca 0.11 1.91 -0.27 0.00 0.00 0.00 0.00 60.65 62.40 1wft s ILE 83 Cb -0.21 -4.25 0.03 0.00 0.01 0.00 0.00 42.46 38.04 1wft s ILE 83 CO 0.10 0.37 1.02 -0.62 0.00 0.00 0.00 174.94 175.81 1wft s ASP 84 N -0.25 6.55 -0.48 3.58 2.15 -1.23 -4.90 116.67 122.10 1wft s ASP 84 Ca 0.43 0.26 0.01 0.00 0.43 0.00 0.00 52.55 53.68 1wft s ASP 84 Cb -0.23 -2.50 0.51 0.00 -0.30 0.00 0.00 42.92 40.41 1wft s ASP 84 CO 0.28 -1.15 1.90 -1.22 -0.17 0.00 0.00 175.17 174.81 1wft n TYR 85 N 7.49 2.78 -0.06 -5.34 4.01 -1.26 -3.64 117.16 121.13 1wft n TYR 85 Ca 0.09 -2.15 -0.02 0.00 -0.16 0.00 0.00 57.90 55.66 1wft n TYR 85 Cb 0.49 -1.06 -0.01 0.00 -0.31 0.00 0.00 39.34 38.45 1wft n TYR 85 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1wft h THR 86 N 0.93 0.00 0.00 -0.72 2.02 -2.01 -3.46 112.91 109.68 1wft h THR 86 Ca 0.55 -1.00 -0.15 0.00 0.77 0.00 0.00 66.41 66.59 1wft h THR 86 Cb 1.91 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 1wft h THR 86 CO 1.16 0.00 -1.48 -1.20 0.37 0.00 0.00 175.52 174.36 1wft n SER 87 N -4.70 0.69 -3.76 4.18 7.64 -1.26 -5.06 113.62 111.35 1wft n SER 87 Ca -0.03 0.10 -0.13 0.00 1.01 0.00 0.00 58.87 59.82 1wft n SER 87 Cb 0.11 -0.25 -0.14 0.00 -1.01 0.00 0.00 64.21 62.92 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 -2.16 0.13 -0.74 1.43 0.52 -1.26 -5.10 118.95 111.78 1wft s ARG 88 Ca -0.12 0.35 -0.26 0.00 -0.52 0.00 0.00 55.73 55.19 1wft s ARG 88 Cb 0.05 -0.11 -0.03 0.00 0.52 0.00 0.00 34.95 35.38 1wft s ARG 88 CO 0.15 -0.13 1.90 -1.25 0.02 0.00 0.00 175.30 175.99 1wft s PRO 89 N 0.92 2.60 0.05 3.54 0.04 -1.24 -4.65 135.00 136.25 1wft s PRO 89 Ca -0.07 0.23 0.01 0.00 0.04 0.00 0.00 61.00 61.21 1wft s PRO 89 Cb -0.09 -4.67 -0.03 0.00 0.04 0.00 0.00 34.50 29.75 1wft s PRO 89 CO -0.05 -3.01 -0.05 0.00 0.04 0.00 0.00 177.00 173.93 1wft s ALA 90 N 9.50 0.52 -0.09 8.56 0.00 -1.26 -4.01 121.76 134.98 1wft s ALA 90 Ca 0.68 -0.93 -0.21 0.00 0.00 0.00 0.00 51.96 51.50 1wft s ALA 90 Cb -0.10 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1wft s ALA 90 CO 0.12 -0.17 0.62 0.42 0.00 0.00 0.00 175.76 176.74 1wft s ILE 91 N -2.37 5.09 -0.32 0.00 1.01 -0.75 -3.52 121.20 120.35 1wft s ILE 91 Ca -0.04 1.26 -0.15 0.00 0.00 0.00 0.00 60.65 61.72 1wft s ILE 91 Cb -0.03 -3.96 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 1wft s ILE 91 CO -0.03 0.27 0.37 -0.69 0.00 0.00 0.00 174.94 174.86 1wft s VAL 92 N 0.82 5.16 0.05 2.92 1.01 -1.26 -1.69 120.40 127.42 1wft s VAL 92 Ca 0.33 0.23 0.05 0.00 0.00 0.00 0.00 61.98 62.59 1wft s VAL 92 Cb -0.17 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1wft s VAL 92 CO 0.15 -0.01 -0.06 -0.36 0.00 0.00 0.00 175.10 174.81 1wft s PHE 93 N 2.06 2.87 -0.04 5.22 0.08 -1.07 -4.16 117.98 122.93 1wft s PHE 93 Ca 0.13 -0.07 0.05 0.00 0.12 0.00 0.00 56.93 57.16 1wft s PHE 93 Cb -0.16 -1.54 -0.01 0.00 -0.57 0.00 0.00 43.02 40.74 1wft s PHE 93 CO 0.11 0.41 -0.20 0.50 -0.10 0.00 0.00 175.22 175.95 1wft s ARG 94 N -1.86 1.94 -0.00 0.44 3.52 -1.08 -2.72 118.95 119.20 1wft s ARG 94 Ca 0.20 -0.70 -0.04 0.00 -0.13 0.00 0.00 55.73 55.07 1wft s ARG 94 Cb -0.11 -1.70 -0.00 0.00 -1.56 0.00 0.00 34.95 31.57 1wft s ARG 94 CO 0.12 0.31 0.07 0.42 -0.81 0.00 0.00 175.30 175.41 1wft s ILE 95 N -0.10 0.07 0.36 4.11 1.01 -1.24 -1.54 121.20 123.86 1wft s ILE 95 Ca -0.02 -0.56 -0.13 0.00 0.00 0.00 0.00 60.65 59.95 1wft s ILE 95 Cb -0.11 -0.29 0.04 0.00 0.01 0.00 0.00 42.46 42.10 1wft s ILE 95 CO 0.02 -0.31 0.69 -0.55 0.00 0.00 0.00 174.94 174.79 1wft s SER 96 N -0.99 0.22 -0.05 3.58 0.15 -1.23 -2.54 113.70 112.85 1wft s SER 96 Ca -0.11 -1.19 0.04 0.00 0.70 0.00 0.00 55.95 55.39 1wft s SER 96 Cb -0.06 0.78 0.00 0.00 -1.71 0.00 0.00 66.02 65.03 1wft s SER 96 CO 0.00 -1.54 -0.16 0.00 1.20 0.00 0.00 173.24 172.75 1wft s ALA 97 N -2.70 1.44 0.09 5.45 0.00 -1.26 -3.77 121.76 121.00 1wft s ALA 97 Ca 0.19 -0.61 -0.26 0.00 0.00 0.00 0.00 51.96 51.28 1wft s ALA 97 Cb -0.04 -0.51 -0.06 0.00 0.00 0.00 0.00 23.12 22.51 1wft s ALA 97 CO 0.13 0.23 0.81 0.21 0.00 0.00 0.00 175.76 177.14 1wft s LYS 98 N 0.19 4.56 -0.19 0.00 2.20 -1.25 -2.13 119.74 123.12 1wft s LYS 98 Ca -0.07 1.17 -0.17 0.00 -0.36 0.00 0.00 55.97 56.54 1wft s LYS 98 Cb -0.12 -3.34 -0.07 0.00 -1.51 0.00 0.00 37.83 32.78 1wft s LYS 98 CO 0.03 0.33 -0.34 0.27 -0.36 0.00 0.00 175.35 175.28 1wft n ASN 99 N 2.52 1.94 0.06 1.43 6.94 -0.30 -2.52 115.26 125.32 1wft n ASN 99 Ca -0.02 0.35 0.00 0.00 -0.02 0.00 0.00 54.58 54.88 1wft n ASN 99 Cb 0.50 -0.76 0.00 0.00 -2.36 0.00 0.00 39.78 37.15 1wft n ASN 99 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1wft n GLU 100 N -4.43 0.00 0.00 -3.83 1.02 -1.26 -4.64 120.64 107.49 1wft n GLU 100 Ca -0.21 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 1wft n GLU 100 Cb 0.57 -0.09 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 1wft n GLU 100 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1wft n LYS 101 N -3.00 5.49 -3.90 3.49 4.76 -1.26 -5.09 118.16 118.66 1wft n LYS 101 Ca 0.00 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.27 1wft n LYS 101 Cb 0.00 -0.42 -0.07 0.00 -1.84 0.00 0.00 35.03 32.70 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 0.85 3.06 3.70 0.72 0.00 -1.26 -5.14 105.19 107.12 1wft n GLY 102 Ca 0.00 -1.86 -0.24 0.00 0.00 0.00 0.00 46.02 43.93 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 -3.16 2.65 0.00 1.61 1.51 -1.26 -1.15 117.35 117.55 1wft s TYR 103 Ca 0.34 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 56.00 1wft s TYR 103 Cb 0.02 -1.59 0.00 0.00 -0.11 0.00 0.00 41.96 40.28 1wft s TYR 103 CO 0.24 0.39 0.00 0.41 -1.11 0.00 0.00 175.55 175.48 1wft n GLY 104 N -1.08 0.92 3.69 0.71 0.00 -0.90 -4.91 105.19 103.61 1wft n GLY 104 Ca -0.03 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 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 1.17 4.26 0.38 1.61 0.04 -1.26 -4.82 135.00 136.39 1wft s PRO 105 Ca 0.00 2.02 -0.20 0.00 0.04 0.00 0.00 61.00 62.86 1wft s PRO 105 Cb 0.00 -3.60 -0.10 0.00 0.04 0.00 0.00 34.50 30.84 1wft s PRO 105 CO 0.00 -0.61 0.89 0.00 0.04 0.00 0.00 177.00 177.31 1wft s ALA 106 N 2.53 3.15 -0.15 8.56 0.00 -1.26 -4.47 121.76 130.11 1wft s ALA 106 Ca 0.65 0.31 -0.06 0.00 0.00 0.00 0.00 51.96 52.87 1wft s ALA 106 Cb -0.32 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1wft s ALA 106 CO 0.27 0.20 0.05 0.99 0.00 0.00 0.00 175.76 177.26 1wft s THR 107 N -2.03 4.68 -0.37 0.00 2.01 -1.05 -4.94 115.64 113.94 1wft s THR 107 Ca 0.58 -0.08 -0.15 0.00 0.31 0.00 0.00 61.69 62.34 1wft s THR 107 Cb -0.11 -3.07 -0.00 0.00 0.01 0.00 0.00 72.50 69.33 1wft s THR 107 CO 0.16 0.51 0.34 -1.58 -0.69 0.00 0.00 174.62 173.36 1wft s GLN 108 N -0.05 3.36 0.10 4.92 0.74 -1.26 -3.72 119.66 123.76 1wft s GLN 108 Ca 0.06 -0.63 0.07 0.00 0.05 0.00 0.00 55.36 54.90 1wft s GLN 108 Cb -0.12 -3.87 -0.04 0.00 1.10 0.00 0.00 33.01 30.08 1wft s GLN 108 CO 0.01 -0.61 -0.09 -1.50 -0.55 0.00 0.00 175.29 172.56 1wft s ILE 109 N 1.92 3.45 -0.20 -2.34 2.07 -1.10 -4.99 121.20 120.01 1wft s ILE 109 Ca 0.09 -1.23 0.02 0.00 -1.41 0.00 0.00 60.65 58.12 1wft s ILE 109 Cb -0.17 -2.62 0.03 0.00 0.13 0.00 0.00 42.46 39.83 1wft s ILE 109 CO 0.12 0.12 -0.17 -0.13 -1.91 0.00 0.00 174.94 172.96 1wft s ARG 110 N -2.21 2.74 -0.38 3.50 0.52 -1.26 -2.60 118.95 119.27 1wft s ARG 110 Ca 0.22 -0.96 -0.14 0.00 -0.52 0.00 0.00 55.73 54.33 1wft s ARG 110 Cb -0.11 -2.64 0.01 0.00 0.52 0.00 0.00 34.95 32.73 1wft s ARG 110 CO 0.14 -0.31 0.27 -0.46 0.02 0.00 0.00 175.30 174.96 1wft s TRP 111 N 1.25 3.23 -0.33 -0.53 -0.00 -0.68 -4.90 118.94 116.98 1wft s TRP 111 Ca 0.01 -0.51 -0.26 0.00 -0.00 0.00 0.00 56.10 55.34 1wft s TRP 111 Cb -0.15 -2.53 0.01 0.00 -0.00 0.00 0.00 33.47 30.80 1wft s TRP 111 CO -0.11 -0.52 0.93 -0.51 -0.00 0.00 0.00 176.95 176.74 1wft s LEU 112 N 1.68 4.01 0.12 5.86 1.43 -1.26 -1.81 118.68 128.70 1wft s LEU 112 Ca 0.05 0.76 -0.23 0.00 -1.03 0.00 0.00 54.13 53.68 1wft s LEU 112 Cb -0.18 -3.29 -0.05 0.00 0.03 0.00 0.00 46.19 42.69 1wft s LEU 112 CO 0.10 -0.79 1.20 0.00 0.23 0.00 0.00 176.35 177.09 1wft n GLN 113 N 6.62 -0.33 0.00 1.70 6.02 -1.26 -4.93 117.38 125.21 1wft n GLN 113 Ca 0.08 1.17 0.00 0.00 -0.01 0.00 0.00 57.00 58.24 1wft n GLN 113 Cb 0.48 -1.73 0.00 0.00 1.02 0.00 0.00 30.24 30.01 1wft n GLN 113 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wft n GLY 114 N -1.19 0.77 0.44 1.08 0.00 -1.26 -4.97 105.19 100.07 1wft n GLY 114 Ca 0.01 -2.27 -0.01 0.00 0.00 0.00 0.00 46.02 43.75 1wft n GLY 114 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wft n ASN 115 N 0.00 2.16 -4.94 1.61 6.94 -1.26 -5.07 115.26 114.70 1wft n ASN 115 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 54.58 54.32 1wft n ASN 115 Cb 0.00 -0.03 0.02 0.00 -2.36 0.00 0.00 39.78 37.40 1wft n ASN 115 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1wft s SER 116 N -4.60 5.75 -0.01 0.53 0.15 -1.26 -5.12 113.70 109.15 1wft s SER 116 Ca -0.02 0.45 -0.06 0.00 0.70 0.00 0.00 55.95 57.02 1wft s SER 116 Cb 0.01 -1.61 0.00 0.00 -1.71 0.00 0.00 66.02 62.71 1wft s SER 116 CO 0.03 -0.83 0.12 -0.75 1.20 0.00 0.00 173.24 173.01 1wft s LYS 117 N -4.72 0.39 0.00 5.44 2.20 -1.26 -5.06 119.74 116.72 1wft s LYS 117 Ca 0.50 -0.28 -0.24 0.00 -0.36 0.00 0.00 55.97 55.60 1wft s LYS 117 Cb -0.10 0.16 -0.18 0.00 -1.51 0.00 0.00 37.83 36.20 1wft s LYS 117 CO 0.41 -0.08 1.32 0.77 -0.36 0.00 0.00 175.35 177.40 1wft h SER 118 N 4.73 0.10 -0.07 1.43 0.02 -2.04 -3.49 113.55 114.22 1wft h SER 118 Ca -0.29 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.20 1wft h SER 118 Cb 1.20 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1wft h SER 118 CO 0.41 0.53 0.00 0.61 -1.14 0.00 0.00 176.83 177.24 1wft n GLY 119 N 0.12 0.73 3.77 -3.77 0.00 -1.26 -5.16 105.19 99.62 1wft n GLY 119 Ca -0.08 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.88 3.02 0.10 1.61 0.04 -1.26 -5.07 135.00 132.57 1wft s PRO 120 Ca 0.00 1.48 -0.03 0.00 0.04 0.00 0.00 61.00 62.49 1wft s PRO 120 Cb 0.00 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 1wft s PRO 120 CO 0.00 -1.09 0.08 -1.12 0.04 0.00 0.00 177.00 174.91 1wft s SER 121 N -2.26 0.31 -0.17 6.66 0.01 -1.26 -5.12 113.70 111.87 1wft s SER 121 Ca 0.69 -1.03 -0.12 0.00 1.31 0.00 0.00 55.95 56.80 1wft s SER 121 Cb -0.22 0.29 -0.05 0.00 0.21 0.00 0.00 66.02 66.25 1wft s SER 121 CO 0.36 -0.71 0.23 -0.55 0.41 0.00 0.00 173.24 172.98 1wft s SER 122 N -2.98 6.36 0.00 2.44 0.15 -1.24 -5.13 113.70 113.30 1wft s SER 122 Ca 0.16 0.42 0.29 0.00 0.70 0.00 0.00 55.95 57.51 1wft s SER 122 Cb 0.07 -2.15 1.30 0.00 -1.71 0.00 0.00 66.02 63.53 1wft s SER 122 CO -0.04 0.14 1.89 0.61 1.20 0.00 0.00 173.24 177.05