#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mif n MET 3 N 0.00 -2.50 -5.09 -0.52 2.81 -1.09 -3.78 117.12 106.95 1mif n MET 3 Ca 0.00 2.16 -0.32 0.00 -1.81 0.00 0.00 57.70 57.73 1mif n MET 3 Cb 0.00 -5.29 -0.17 0.00 -0.71 0.00 0.00 33.22 27.06 1mif n MET 3 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 1mif s PHE 4 N -2.34 2.61 -0.02 2.03 5.36 -0.08 -1.83 117.98 123.71 1mif s PHE 4 Ca 0.22 -1.02 0.05 0.00 -0.96 0.00 0.00 56.93 55.21 1mif s PHE 4 Cb -0.06 -1.74 -0.01 0.00 -0.34 0.00 0.00 43.02 40.87 1mif s PHE 4 CO 0.77 -0.41 -0.17 0.42 -1.46 0.00 0.00 175.22 174.37 1mif s ILE 5 N 0.40 1.37 -0.14 3.12 1.01 -0.85 -0.67 121.20 125.44 1mif s ILE 5 Ca -0.16 -0.73 -0.00 0.00 0.00 0.00 0.00 60.65 59.76 1mif s ILE 5 Cb -0.17 -1.15 0.03 0.00 0.01 0.00 0.00 42.46 41.18 1mif s ILE 5 CO 0.07 0.39 -0.08 -0.69 0.00 0.00 0.00 174.94 174.63 1mif s VAL 6 N -0.30 1.16 -0.16 2.92 1.01 -0.32 -2.00 120.40 122.71 1mif s VAL 6 Ca 0.04 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 1mif s VAL 6 Cb -0.08 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 1mif s VAL 6 CO -0.00 0.29 -0.04 0.20 0.00 0.00 0.00 175.10 175.55 1mif s ASN 7 N 1.64 4.78 -0.06 3.32 -0.87 0.03 -0.39 114.94 123.38 1mif s ASN 7 Ca 0.03 -0.14 -0.14 0.00 -1.57 0.00 0.00 52.86 51.04 1mif s ASN 7 Cb -0.14 -1.78 0.03 0.00 -0.02 0.00 0.00 41.25 39.34 1mif s ASN 7 CO -0.08 0.17 0.34 0.28 -2.57 0.00 0.00 177.10 175.23 1mif s THR 8 N 0.37 0.03 -0.89 1.60 -1.32 -0.31 -1.21 115.64 113.91 1mif s THR 8 Ca -0.04 -0.28 0.24 0.00 -1.21 0.00 0.00 61.69 60.40 1mif s THR 8 Cb -0.14 -0.58 0.22 0.00 -1.51 0.00 0.00 72.50 70.49 1mif s THR 8 CO 0.03 -0.15 1.77 -0.46 -2.21 0.00 0.00 174.62 173.59 1mif n ASN 9 N 1.89 0.24 -4.72 8.08 0.23 -1.25 -1.07 115.26 118.65 1mif n ASN 9 Ca -0.18 0.53 -0.40 0.00 -0.53 0.00 0.00 54.58 54.00 1mif n ASN 9 Cb 0.57 -0.59 0.02 0.00 -2.08 0.00 0.00 39.78 37.69 1mif n ASN 9 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1mif n VAL 10 N -1.74 2.78 -1.99 3.53 0.31 -1.26 -4.10 118.33 115.86 1mif n VAL 10 Ca 0.05 -0.50 -0.37 0.00 -0.01 0.00 0.00 64.34 63.51 1mif n VAL 10 Cb 0.31 -1.65 0.03 0.00 -0.91 0.00 0.00 33.84 31.61 1mif n VAL 10 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1mif s PRO 11 N -2.36 3.19 0.31 5.55 0.02 -1.26 -0.56 135.00 139.89 1mif s PRO 11 Ca 0.62 1.95 0.02 0.00 0.02 0.00 0.00 61.00 63.61 1mif s PRO 11 Cb -0.48 -2.14 0.56 0.00 0.02 0.00 0.00 34.50 32.46 1mif s PRO 11 CO 0.57 -1.06 1.90 -0.09 -0.33 0.00 0.00 177.00 177.99 1mif h ARG 12 N 1.33 0.96 0.00 5.54 9.65 -1.92 -1.10 114.38 128.84 1mif h ARG 12 Ca -0.50 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.32 1mif h ARG 12 Cb 1.29 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 29.65 1mif h ARG 12 CO 0.57 0.63 0.00 0.00 2.80 0.00 0.00 179.97 183.97 1mif n ALA 13 N -2.40 1.18 -0.28 2.80 0.00 -1.26 -2.07 120.51 118.49 1mif n ALA 13 Ca 0.14 0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.68 1mif n ALA 13 Cb 0.24 -1.15 0.14 0.00 0.00 0.00 0.00 19.45 18.68 1mif n ALA 13 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1mif n SER 14 N -1.74 2.87 -4.54 0.00 3.41 -0.42 -4.88 113.62 108.32 1mif n SER 14 Ca 0.00 -2.17 -0.42 0.00 -0.26 0.00 0.00 58.87 56.03 1mif n SER 14 Cb 0.06 -0.24 -0.07 0.00 -0.26 0.00 0.00 64.21 63.70 1mif n SER 14 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1mif s VAL 15 N -1.30 4.93 0.50 -3.33 1.01 -0.88 -4.81 120.40 116.52 1mif s VAL 15 Ca 0.22 0.29 -0.22 0.00 0.00 0.00 0.00 61.98 62.27 1mif s VAL 15 Cb 0.13 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 32.36 1mif s VAL 15 CO 0.12 -0.37 1.01 -0.81 0.00 0.00 0.00 175.10 175.05 1mif n PRO 16 N 5.96 1.23 -2.30 2.72 -0.04 -1.26 -4.94 135.00 136.37 1mif n PRO 16 Ca -0.03 0.45 -0.37 0.00 -0.04 0.00 0.00 63.50 63.51 1mif n PRO 16 Cb 0.48 -2.13 -0.01 0.00 -0.04 0.00 0.00 33.50 31.80 1mif n PRO 16 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mif s ASP 17 N -0.92 6.19 0.00 3.54 1.01 -1.26 -2.44 116.67 122.80 1mif s ASP 17 Ca 0.68 2.25 0.00 0.00 0.71 0.00 0.00 52.55 56.19 1mif s ASP 17 Cb -0.49 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 40.84 1mif s ASP 17 CO 0.53 -0.90 0.00 0.61 0.21 0.00 0.00 175.17 175.62 1mif n GLY 18 N 0.38 1.02 0.23 0.21 0.00 -1.26 -4.91 105.19 100.87 1mif n GLY 18 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 1mif n GLY 18 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1mif h PHE 19 N 0.00 0.76 -0.19 1.61 3.57 -1.84 -0.37 116.94 120.47 1mif h PHE 19 Ca 0.00 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 1mif h PHE 19 Cb 0.00 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 1mif h PHE 19 CO 0.00 0.66 0.11 -0.07 -2.23 0.00 0.00 178.31 176.78 1mif h LEU 20 N 0.64 0.24 -0.55 0.59 4.07 -1.91 -0.79 115.31 117.61 1mif h LEU 20 Ca 0.16 -0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.02 1mif h LEU 20 Cb 0.25 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 41.90 1mif h LEU 20 CO -0.01 0.24 0.25 0.28 -1.08 0.00 0.00 178.44 178.12 1mif h SER 21 N 0.22 0.73 -0.64 -0.43 0.02 -1.92 -1.37 113.55 110.16 1mif h SER 21 Ca 0.07 -0.14 0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1mif h SER 21 Cb 0.05 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 1mif h SER 21 CO -0.01 0.67 0.40 -0.08 -1.14 0.00 0.00 176.83 176.67 1mif h GLU 22 N 0.74 0.77 -0.58 3.45 4.81 -0.78 -0.49 114.58 122.50 1mif h GLU 22 Ca 0.19 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1mif h GLU 22 Cb 0.15 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1mif h GLU 22 CO -0.02 0.51 0.34 -0.07 -0.73 0.00 0.00 179.01 179.05 1mif h LEU 23 N 0.80 0.71 -0.52 1.64 3.38 -0.86 -0.43 115.31 120.02 1mif h LEU 23 Ca 0.25 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.22 1mif h LEU 23 Cb -0.01 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 1mif h LEU 23 CO -0.09 0.57 0.20 0.74 0.09 0.00 0.00 178.44 179.95 1mif h THR 24 N 0.79 0.85 -0.09 0.22 2.02 -0.47 0.27 112.91 116.50 1mif h THR 24 Ca 0.21 -0.14 -0.04 0.00 0.77 0.00 0.00 66.41 67.21 1mif h THR 24 Cb -0.00 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1mif h THR 24 CO -0.04 0.07 -0.12 1.56 0.37 0.00 0.00 175.52 177.36 1mif h GLN 25 N 0.40 0.23 -0.71 6.66 1.08 -0.72 -1.94 115.11 120.11 1mif h GLN 25 Ca 0.25 -0.14 0.02 0.00 -1.45 0.00 0.00 58.65 57.33 1mif h GLN 25 Cb 0.25 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.65 1mif h GLN 25 CO -0.23 0.70 0.45 1.96 -0.95 0.00 0.00 178.83 180.76 1mif h GLN 26 N -0.21 0.87 -0.55 1.46 1.08 -0.85 -1.95 115.11 114.96 1mif h GLN 26 Ca 0.01 -0.05 -0.11 0.00 -1.45 0.00 0.00 58.65 57.05 1mif h GLN 26 Cb 0.67 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 1mif h GLN 26 CO 0.03 0.58 -0.08 -0.07 -0.95 0.00 0.00 178.83 178.34 1mif h LEU 27 N 0.90 1.01 -0.46 1.46 3.38 -0.96 -0.61 115.31 120.03 1mif h LEU 27 Ca 0.28 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.96 1mif h LEU 27 Cb -0.02 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 1mif h LEU 27 CO -0.09 1.11 0.24 0.00 0.09 0.00 0.00 178.44 179.78 1mif h ALA 28 N 0.99 0.58 0.00 1.53 0.00 -0.94 0.10 119.26 121.52 1mif h ALA 28 Ca 0.15 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1mif h ALA 28 Cb 0.64 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1mif h ALA 28 CO 0.04 -0.11 -0.00 1.96 0.00 0.00 0.00 179.25 181.15 1mif h GLN 29 N 0.48 -0.00 -1.01 0.00 4.20 -1.22 0.76 115.11 118.32 1mif h GLN 29 Ca 0.20 0.00 0.11 0.00 0.06 0.00 0.00 58.65 59.02 1mif h GLN 29 Cb 0.09 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.79 1mif h GLN 29 CO -0.13 0.26 0.64 0.00 -0.67 0.00 0.00 178.83 178.93 1mif h ALA 30 N 0.73 1.49 0.00 3.87 0.00 -0.79 -2.99 119.26 121.57 1mif h ALA 30 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1mif h ALA 30 Cb 0.27 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1mif h ALA 30 CO 0.00 0.27 -1.19 0.25 0.00 0.00 0.00 179.25 178.58 1mif n THR 31 N -4.59 0.00 -3.19 0.00 -2.24 -0.01 -5.00 114.28 99.24 1mif n THR 31 Ca 0.18 -0.17 -0.15 0.00 -2.27 0.00 0.00 64.05 61.64 1mif n THR 31 Cb 0.32 0.72 0.06 0.00 -2.10 0.00 0.00 70.33 69.34 1mif n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mif n GLY 32 N 1.43 -0.15 3.14 3.38 0.00 0.24 -4.92 105.19 108.30 1mif n GLY 32 Ca 0.02 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1mif n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mif s LYS 33 N -5.53 1.61 0.39 1.61 -0.14 -1.10 -5.07 119.74 111.51 1mif s LYS 33 Ca 0.24 -0.59 -0.25 0.00 -1.36 0.00 0.00 55.97 54.00 1mif s LYS 33 Cb -0.10 -1.45 -0.11 0.00 -1.68 0.00 0.00 37.83 34.49 1mif s LYS 33 CO 0.54 0.28 1.05 -2.30 -0.76 0.00 0.00 175.35 174.16 1mif n PRO 34 N 2.99 1.46 0.16 -1.68 -0.02 -1.26 -4.50 135.00 132.14 1mif n PRO 34 Ca -0.17 0.52 0.16 0.00 -2.02 0.00 0.00 63.50 61.99 1mif n PRO 34 Cb 0.53 -2.06 0.75 0.00 -0.02 0.00 0.00 33.50 32.71 1mif n PRO 34 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1mif h PRO 35 N 1.72 0.00 -0.10 0.52 0.13 -1.91 -2.13 132.00 130.23 1mif h PRO 35 Ca -0.44 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.72 1mif h PRO 35 Cb 1.33 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.46 1mif h PRO 35 CO 0.58 0.00 0.09 1.96 -0.23 0.00 0.00 178.00 180.40 1mif h GLN 36 N 0.00 0.00 -0.00 0.86 7.50 -1.96 -0.05 115.11 121.46 1mif h GLN 36 Ca 0.12 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.27 1mif h GLN 36 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.08 1mif h GLN 36 CO -0.00 0.00 -0.22 0.66 -1.50 0.00 0.00 178.83 177.77 1mif n TYR 37 N -4.24 0.00 -3.05 2.96 4.01 -0.80 -4.88 117.16 111.16 1mif n TYR 37 Ca -0.01 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.33 1mif n TYR 37 Cb 0.20 -0.28 -0.05 0.00 -0.31 0.00 0.00 39.34 38.90 1mif n TYR 37 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1mif s ILE 38 N -2.77 4.98 -0.13 -0.72 1.01 -0.03 -4.58 121.20 118.96 1mif s ILE 38 Ca 0.19 1.32 -0.00 0.00 0.00 0.00 0.00 60.65 62.16 1mif s ILE 38 Cb 0.19 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 38.64 1mif s ILE 38 CO 0.56 0.08 -0.13 0.00 0.00 0.00 0.00 174.94 175.46 1mif s ALA 39 N 1.99 2.62 -0.04 9.38 0.00 -1.26 -4.87 121.76 129.58 1mif s ALA 39 Ca 0.32 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.42 1mif s ALA 39 Cb -0.16 -1.21 -0.00 0.00 0.00 0.00 0.00 23.12 21.75 1mif s ALA 39 CO 0.11 0.26 -0.16 0.08 0.00 0.00 0.00 175.76 176.05 1mif s VAL 40 N 0.31 1.33 -0.11 0.00 1.01 -1.26 -0.90 120.40 120.78 1mif s VAL 40 Ca -0.10 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1mif s VAL 40 Cb -0.16 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.09 1mif s VAL 40 CO 0.06 0.39 -0.11 -2.28 0.00 0.00 0.00 175.10 173.15 1mif s HIS 41 N 0.12 1.72 -0.13 5.22 2.46 0.15 -4.97 115.29 119.86 1mif s HIS 41 Ca -0.05 -0.86 0.01 0.00 0.47 0.00 0.00 55.06 54.63 1mif s HIS 41 Cb -0.12 -1.33 -0.01 0.00 -0.13 0.00 0.00 32.58 31.00 1mif s HIS 41 CO 0.02 -0.51 -0.17 0.08 -2.47 0.00 0.00 174.74 171.69 1mif s VAL 42 N 1.40 2.68 -0.39 0.89 1.01 -1.26 -1.18 120.40 123.54 1mif s VAL 42 Ca 0.01 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.24 1mif s VAL 42 Cb -0.13 -2.10 0.11 0.00 0.00 0.00 0.00 36.38 34.25 1mif s VAL 42 CO -0.06 0.53 0.11 -0.69 0.00 0.00 0.00 175.10 174.99 1mif s VAL 43 N 0.46 2.38 0.79 2.92 1.01 0.47 -4.98 120.40 123.46 1mif s VAL 43 Ca -0.12 -2.64 -0.04 0.00 0.00 0.00 0.00 61.98 59.19 1mif s VAL 43 Cb -0.16 -2.73 0.16 0.00 0.00 0.00 0.00 36.38 33.64 1mif s VAL 43 CO 0.05 -0.66 1.09 -2.16 0.00 0.00 0.00 175.10 173.42 1mif s PRO 44 N 0.55 1.32 -1.83 2.72 0.04 -1.26 -1.16 135.00 135.37 1mif s PRO 44 Ca 0.13 -1.05 0.00 0.00 0.04 0.00 0.00 61.00 60.11 1mif s PRO 44 Cb -0.21 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.11 1mif s PRO 44 CO -0.06 -1.75 0.00 -0.25 0.04 0.00 0.00 177.00 174.98 1mif n ASP 45 N -3.08 -5.47 -4.78 6.66 8.00 0.27 -4.83 116.55 113.32 1mif n ASP 45 Ca 0.16 0.19 -0.37 0.00 0.71 0.00 0.00 54.79 55.49 1mif n ASP 45 Cb 0.60 -4.67 -0.05 0.00 -0.02 0.00 0.00 41.12 36.98 1mif n ASP 45 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1mif s GLN 46 N -4.53 4.40 0.00 -1.24 -1.52 -0.24 -4.92 119.66 111.61 1mif s GLN 46 Ca 0.00 1.41 0.00 0.00 -1.95 0.00 0.00 55.36 54.82 1mif s GLN 46 Cb 0.00 -2.67 0.00 0.00 -0.22 0.00 0.00 33.01 30.12 1mif s GLN 46 CO 0.00 0.09 0.22 -0.11 -0.25 0.00 0.00 175.29 175.24 1mif n LEU 47 N 0.26 0.00 -0.87 2.90 7.94 -1.26 -3.79 117.00 122.17 1mif n LEU 47 Ca 0.03 0.22 0.01 0.00 -1.11 0.00 0.00 56.01 55.17 1mif n LEU 47 Cb 0.50 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.44 1mif n LEU 47 CO 0.45 0.00 -0.09 1.15 -1.11 0.00 0.00 177.39 177.79 1mif n MET 48 N -0.28 -0.59 -3.65 1.96 0.00 -1.26 -4.70 117.12 108.59 1mif n MET 48 Ca 0.00 0.47 -0.15 0.00 0.00 0.00 0.00 57.70 58.02 1mif n MET 48 Cb 0.00 -1.05 -0.08 0.00 0.00 0.00 0.00 33.22 32.09 1mif n MET 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1mif s ALA 49 N -4.56 -1.31 -0.20 3.17 0.00 -1.26 -4.80 121.76 112.79 1mif s ALA 49 Ca 0.00 1.02 -0.17 0.00 0.00 0.00 0.00 51.96 52.81 1mif s ALA 49 Cb 0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 23.12 22.85 1mif s ALA 49 CO 0.00 -0.30 -0.35 0.34 0.00 0.00 0.00 175.76 175.45 1mif n PHE 50 N 1.52 0.00 -2.50 0.00 -0.00 -0.39 -4.76 117.46 111.32 1mif n PHE 50 Ca -0.19 0.00 -0.23 0.00 -0.00 0.00 0.00 57.45 57.04 1mif n PHE 50 Cb 0.56 -0.60 0.01 0.00 -0.00 0.00 0.00 39.48 39.45 1mif n PHE 50 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1mif n GLY 51 N 1.44 5.00 1.29 7.13 0.00 -1.26 -4.80 105.19 113.98 1mif n GLY 51 Ca -0.23 -2.42 0.00 0.00 0.00 0.00 0.00 46.02 43.37 1mif n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mif n GLY 52 N -0.40 2.75 3.87 -0.02 0.00 -1.26 -5.01 105.19 105.11 1mif n GLY 52 Ca 0.32 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1mif n GLY 52 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1mif s SER 53 N 0.53 6.55 0.00 1.61 0.15 -1.26 -5.01 113.70 116.26 1mif s SER 53 Ca 0.00 1.26 0.18 0.00 0.70 0.00 0.00 55.95 58.10 1mif s SER 53 Cb 0.00 -2.38 0.41 0.00 -1.71 0.00 0.00 66.02 62.34 1mif s SER 53 CO 0.00 -0.46 1.33 -1.20 1.20 0.00 0.00 173.24 174.11 1mif n SER 54 N -1.41 3.27 -4.57 5.45 7.64 -1.26 -1.27 113.62 121.48 1mif n SER 54 Ca 0.04 -1.94 -0.30 0.00 1.01 0.00 0.00 58.87 57.68 1mif n SER 54 Cb 0.54 -0.27 0.19 0.00 -1.01 0.00 0.00 64.21 63.66 1mif n SER 54 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1mif n GLU 55 N 1.18 -1.13 -1.55 1.43 4.71 -1.26 -4.80 120.64 119.23 1mif n GLU 55 Ca 0.17 -0.28 -0.56 0.00 -0.01 0.00 0.00 57.16 56.48 1mif n GLU 55 Cb 0.53 -2.24 -0.07 0.00 -1.01 0.00 0.00 31.44 28.65 1mif n GLU 55 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 1mif n PRO 56 N -4.17 0.56 -4.11 3.49 -0.02 -1.26 -4.80 135.00 124.68 1mif n PRO 56 Ca 0.08 0.20 -0.11 0.00 -2.02 0.00 0.00 63.50 61.66 1mif n PRO 56 Cb 0.53 -1.77 -0.08 0.00 -0.02 0.00 0.00 33.50 32.16 1mif n PRO 56 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mif s ALA 58 N -4.08 -0.18 -0.21 0.00 0.00 -0.69 -3.78 121.76 112.82 1mif s ALA 58 Ca 0.30 -0.00 -0.01 0.00 0.00 0.00 0.00 51.96 52.24 1mif s ALA 58 Cb 0.05 -0.03 0.06 0.00 0.00 0.00 0.00 23.12 23.20 1mif s ALA 58 CO 0.08 -0.11 -0.01 -0.51 0.00 0.00 0.00 175.76 175.21 1mif s LEU 59 N -0.59 1.87 0.41 0.00 1.43 -0.35 -2.28 118.68 119.17 1mif s LEU 59 Ca -0.07 -0.97 0.07 0.00 -1.03 0.00 0.00 54.13 52.13 1mif s LEU 59 Cb -0.04 -0.90 -0.07 0.00 0.03 0.00 0.00 46.19 45.21 1mif s LEU 59 CO 0.00 -0.26 0.06 0.00 0.23 0.00 0.00 176.35 176.38 1mif s SER 61 N -3.77 -0.52 -0.12 0.00 1.04 -0.85 -1.27 113.70 108.22 1mif s SER 61 Ca 0.37 0.95 0.02 0.00 0.48 0.00 0.00 55.95 57.77 1mif s SER 61 Cb 0.08 0.97 0.01 0.00 0.10 0.00 0.00 66.02 67.18 1mif s SER 61 CO 0.19 -0.22 -0.17 -0.22 0.98 0.00 0.00 173.24 173.80 1mif s LEU 62 N 0.07 1.82 -0.16 2.42 2.96 0.84 -2.00 118.68 124.64 1mif s LEU 62 Ca -0.02 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 1mif s LEU 62 Cb -0.03 -1.18 0.01 0.00 0.50 0.00 0.00 46.19 45.49 1mif s LEU 62 CO 0.02 0.03 -0.19 -1.00 -1.32 0.00 0.00 176.35 173.89 1mif s HIS 63 N 0.93 2.73 -0.03 5.38 3.76 -0.76 0.04 115.29 127.34 1mif s HIS 63 Ca -0.07 -1.33 -0.05 0.00 -0.15 0.00 0.00 55.06 53.46 1mif s HIS 63 Cb -0.15 -1.87 0.01 0.00 1.11 0.00 0.00 32.58 31.68 1mif s HIS 63 CO -0.01 -0.62 0.11 0.45 -0.85 0.00 0.00 174.74 173.82 1mif s SER 64 N 0.96 -0.05 -0.01 1.40 0.15 -0.29 -4.00 113.70 111.85 1mif s SER 64 Ca -0.03 0.06 -0.05 0.00 0.70 0.00 0.00 55.95 56.63 1mif s SER 64 Cb -0.15 0.23 -0.03 0.00 -1.71 0.00 0.00 66.02 64.36 1mif s SER 64 CO -0.04 -0.16 0.53 0.40 1.20 0.00 0.00 173.24 175.18 1mif h ILE 65 N 4.74 0.00 -2.39 6.45 2.04 -1.85 0.53 117.51 127.04 1mif h ILE 65 Ca -0.27 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 1mif h ILE 65 Cb 1.20 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1mif h ILE 65 CO 0.42 0.00 0.00 0.61 0.00 0.00 0.00 178.15 179.18 1mif n GLY 66 N 0.50 -0.58 2.41 5.37 0.00 -1.26 -3.99 105.19 107.64 1mif n GLY 66 Ca -0.02 -1.75 -0.18 0.00 0.00 0.00 0.00 46.02 44.06 1mif n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mif n LYS 67 N -1.03 -1.55 -4.25 1.61 4.76 -1.26 -4.88 118.16 111.56 1mif n LYS 67 Ca 0.00 1.02 -0.31 0.00 -2.87 0.00 0.00 58.31 56.15 1mif n LYS 67 Cb 0.01 -5.46 -0.09 0.00 -1.84 0.00 0.00 35.03 27.65 1mif n LYS 67 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1mif s ILE 68 N -2.67 3.77 0.00 -0.18 -1.09 -1.26 -4.85 121.20 114.91 1mif s ILE 68 Ca 0.00 -0.97 0.00 0.00 -2.23 0.00 0.00 60.65 57.45 1mif s ILE 68 Cb 0.00 -2.74 0.00 0.00 -1.58 0.00 0.00 42.46 38.14 1mif s ILE 68 CO 0.00 0.21 0.00 0.61 -1.23 0.00 0.00 174.94 174.53 1mif n GLY 69 N 0.93 3.43 0.15 6.18 0.00 -1.26 -4.99 105.19 109.62 1mif n GLY 69 Ca -0.13 -0.45 -0.04 0.00 0.00 0.00 0.00 46.02 45.40 1mif n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mif n GLY 70 N -0.91 -1.23 0.14 -0.02 0.00 -1.26 -1.15 105.19 100.76 1mif n GLY 70 Ca 0.00 0.47 -0.12 0.00 0.00 0.00 0.00 46.02 46.38 1mif n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mif h ALA 71 N 0.07 0.27 -0.55 4.61 0.00 -2.01 -3.07 119.26 118.58 1mif h ALA 71 Ca 0.06 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.80 1mif h ALA 71 Cb 0.14 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1mif h ALA 71 CO -0.33 0.03 0.22 1.96 0.00 0.00 0.00 179.25 181.13 1mif h GLN 72 N 0.11 0.40 -0.61 0.00 7.50 -1.61 -0.70 115.11 120.20 1mif h GLN 72 Ca 0.05 -0.02 0.13 0.00 0.50 0.00 0.00 58.65 59.31 1mif h GLN 72 Cb 0.46 -0.09 -0.03 0.00 0.05 0.00 0.00 27.48 27.86 1mif h GLN 72 CO 0.02 0.27 0.42 -0.91 -1.50 0.00 0.00 178.83 177.12 1mif h ASN 73 N 0.42 0.25 -0.73 1.46 2.35 -1.11 0.68 115.58 118.89 1mif h ASN 73 Ca 0.27 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.99 1mif h ASN 73 Cb 0.28 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 1mif h ASN 73 CO -0.25 0.14 0.31 0.03 -1.65 0.00 0.00 177.43 176.00 1mif h ARG 74 N 0.27 1.07 -0.31 0.81 3.08 -1.03 -1.06 114.38 117.22 1mif h ARG 74 Ca 0.29 -0.19 -0.13 0.00 0.07 0.00 0.00 59.98 60.02 1mif h ARG 74 Cb 0.78 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 1mif h ARG 74 CO -0.06 0.87 -0.33 0.77 -1.07 0.00 0.00 179.97 180.15 1mif h SER 75 N 1.03 0.82 -0.88 7.04 0.02 -0.84 -2.76 113.55 117.99 1mif h SER 75 Ca 0.24 -0.48 0.06 0.00 -0.84 0.00 0.00 61.79 60.78 1mif h SER 75 Cb 0.19 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.44 1mif h SER 75 CO -0.02 1.13 0.58 1.88 -1.14 0.00 0.00 176.83 179.26 1mif h TYR 76 N 0.53 1.02 -0.64 3.45 0.05 -0.73 -1.25 116.97 119.39 1mif h TYR 76 Ca 0.05 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.78 1mif h TYR 76 Cb 0.91 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 38.29 1mif h TYR 76 CO 0.07 0.54 0.12 0.77 -1.05 0.00 0.00 178.16 178.61 1mif h SER 77 N 1.01 1.00 -0.42 3.88 0.02 -0.94 0.21 113.55 118.32 1mif h SER 77 Ca 0.38 -0.25 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 1mif h SER 77 Cb 0.19 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1mif h SER 77 CO -0.14 1.00 0.07 0.11 -1.14 0.00 0.00 176.83 176.73 1mif h LYS 78 N 0.97 0.68 0.10 3.45 1.57 -1.15 -0.19 116.57 122.01 1mif h LYS 78 Ca 0.20 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1mif h LYS 78 Cb 0.41 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1mif h LYS 78 CO 0.01 0.72 -0.05 1.25 -0.57 0.00 0.00 179.45 180.81 1mif h LEU 79 N 0.54 -0.12 -0.83 2.94 5.85 -0.97 -1.90 115.31 120.83 1mif h LEU 79 Ca 0.13 -0.21 -0.08 0.00 0.84 0.00 0.00 57.88 58.55 1mif h LEU 79 Cb 0.37 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1mif h LEU 79 CO 0.01 0.15 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.18 1mif h LEU 80 N -0.39 0.84 -0.64 2.25 4.07 -0.59 -2.48 115.31 118.37 1mif h LEU 80 Ca -0.01 -0.22 -0.14 0.00 0.08 0.00 0.00 57.88 57.59 1mif h LEU 80 Cb 0.32 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 1mif h LEU 80 CO 0.02 0.91 -0.42 0.00 -1.08 0.00 0.00 178.44 177.87 1mif h GLY 82 N 1.04 0.48 0.69 0.00 0.00 -1.22 -1.22 103.07 102.83 1mif h GLY 82 Ca 0.04 -0.36 0.02 0.00 0.00 0.00 0.00 47.33 47.03 1mif h GLY 82 CO 0.08 0.33 -0.11 1.41 0.00 0.00 0.00 176.54 178.25 1mif h LEU 83 N 0.21 -0.32 -0.79 3.11 4.07 -1.30 0.15 115.31 120.44 1mif h LEU 83 Ca 0.07 0.05 -0.10 0.00 0.08 0.00 0.00 57.88 57.98 1mif h LEU 83 Cb 0.43 0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.30 1mif h LEU 83 CO 0.01 -0.16 -0.18 -0.07 -1.08 0.00 0.00 178.44 176.97 1mif h LEU 84 N -0.18 0.72 -0.32 1.67 3.38 -1.37 0.61 115.31 119.83 1mif h LEU 84 Ca 0.05 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 1mif h LEU 84 Cb 0.24 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1mif h LEU 84 CO -0.13 0.90 -0.09 0.00 0.09 0.00 0.00 178.44 179.22 1mif h ALA 85 N 1.16 0.45 0.12 1.53 0.00 -0.92 -0.68 119.26 120.92 1mif h ALA 85 Ca 0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1mif h ALA 85 Cb 0.66 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1mif h ALA 85 CO 0.05 0.29 -0.06 1.49 0.00 0.00 0.00 179.25 181.02 1mif h GLU 86 N 0.41 -0.16 -0.05 0.00 4.81 -0.60 -1.01 114.58 117.97 1mif h GLU 86 Ca 0.08 0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.17 1mif h GLU 86 Cb 0.58 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 1mif h GLU 86 CO 0.03 0.29 -0.67 0.00 -0.73 0.00 0.00 179.01 177.93 1mif h ARG 87 N -0.91 0.20 -0.04 1.92 -0.00 -0.98 -3.34 114.38 111.23 1mif h ARG 87 Ca -0.02 -0.16 0.00 0.00 -0.50 0.00 0.00 59.98 59.31 1mif h ARG 87 Cb 0.52 0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.52 1mif h ARG 87 CO 0.03 0.80 0.00 1.28 0.00 0.00 0.00 179.97 182.08 1mif n LEU 88 N -3.81 1.66 -2.95 3.04 4.77 -0.30 -4.64 117.00 114.77 1mif n LEU 88 Ca -0.02 -1.22 -0.22 0.00 -0.03 0.00 0.00 56.01 54.51 1mif n LEU 88 Cb 0.66 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.76 1mif n LEU 88 CO 0.45 0.37 -0.02 0.54 -1.33 0.00 0.00 177.39 177.40 1mif n ARG 89 N 0.23 -4.66 -3.70 3.23 3.00 -0.39 -4.94 116.66 109.42 1mif n ARG 89 Ca 0.04 0.92 -0.37 0.00 -0.01 0.00 0.00 57.85 58.43 1mif n ARG 89 Cb 0.18 -5.76 -0.07 0.00 0.00 0.00 0.00 32.46 26.81 1mif n ARG 89 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1mif s ILE 90 N -3.17 5.35 0.08 0.55 1.01 -0.99 -4.95 121.20 119.08 1mif s ILE 90 Ca 0.28 0.41 -0.30 0.00 0.00 0.00 0.00 60.65 61.03 1mif s ILE 90 Cb -0.12 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 1mif s ILE 90 CO 0.35 0.53 1.01 -0.55 0.00 0.00 0.00 174.94 176.27 1mif s SER 91 N -0.45 7.39 0.53 3.58 0.15 -1.26 -3.33 113.70 120.30 1mif s SER 91 Ca 0.16 1.82 0.30 0.00 0.70 0.00 0.00 55.95 58.92 1mif s SER 91 Cb -0.13 -2.58 1.44 0.00 -1.71 0.00 0.00 66.02 63.04 1mif s SER 91 CO 0.05 -0.18 1.91 1.55 1.20 0.00 0.00 173.24 177.76 1mif h PRO 92 N 5.98 0.02 0.00 5.44 0.13 -1.97 0.18 132.00 141.78 1mif h PRO 92 Ca -0.42 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1mif h PRO 92 Cb 1.21 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1mif h PRO 92 CO 0.74 0.02 0.00 -0.40 -0.23 0.00 0.00 178.00 178.12 1mif n ASP 93 N -4.30 0.18 -2.06 1.44 5.75 -1.26 -3.33 116.55 112.97 1mif n ASP 93 Ca 0.17 0.52 -0.26 0.00 -0.01 0.00 0.00 54.79 55.21 1mif n ASP 93 Cb 0.88 -0.57 0.10 0.00 -1.03 0.00 0.00 41.12 40.50 1mif n ASP 93 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1mif n ARG 94 N -1.67 2.72 -3.80 0.11 1.74 0.62 -4.95 116.66 111.43 1mif n ARG 94 Ca 0.06 -3.45 -0.16 0.00 -0.77 0.00 0.00 57.85 53.53 1mif n ARG 94 Cb 0.31 -2.20 -0.16 0.00 -1.02 0.00 0.00 32.46 29.39 1mif n ARG 94 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1mif s VAL 95 N -4.32 -0.01 0.01 1.55 1.01 -1.21 -1.71 120.40 115.72 1mif s VAL 95 Ca 0.57 0.21 0.08 0.00 0.00 0.00 0.00 61.98 62.84 1mif s VAL 95 Cb 0.47 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.69 1mif s VAL 95 CO 0.02 0.11 -0.23 -0.31 0.00 0.00 0.00 175.10 174.69 1mif s TYR 96 N 1.16 2.43 -0.12 5.22 2.02 -0.96 -5.01 117.35 122.09 1mif s TYR 96 Ca -0.08 -0.35 -0.02 0.00 -0.37 0.00 0.00 57.07 56.24 1mif s TYR 96 Cb -0.13 -1.48 0.04 0.00 -0.40 0.00 0.00 41.96 39.99 1mif s TYR 96 CO -0.03 0.10 0.03 0.42 -1.57 0.00 0.00 175.55 174.50 1mif s ILE 97 N -0.74 0.30 0.00 2.71 1.01 -1.26 -1.11 121.20 122.11 1mif s ILE 97 Ca 0.12 -0.10 -0.19 0.00 0.00 0.00 0.00 60.65 60.48 1mif s ILE 97 Cb -0.10 -0.65 -0.06 0.00 0.01 0.00 0.00 42.46 41.66 1mif s ILE 97 CO 0.01 0.03 0.53 0.20 0.00 0.00 0.00 174.94 175.71 1mif s ASN 98 N 1.98 6.92 -0.12 3.58 0.02 -0.40 -4.91 114.94 122.02 1mif s ASN 98 Ca 0.03 1.10 -0.03 0.00 -1.02 0.00 0.00 52.86 52.93 1mif s ASN 98 Cb -0.14 -2.33 -0.03 0.00 0.02 0.00 0.00 41.25 38.77 1mif s ASN 98 CO -0.06 0.19 0.01 -0.31 0.02 0.00 0.00 177.10 176.94 1mif s TYR 99 N -0.53 3.15 -0.12 2.20 2.02 -1.26 -0.11 117.35 122.70 1mif s TYR 99 Ca 0.28 0.07 -0.02 0.00 -0.37 0.00 0.00 57.07 57.04 1mif s TYR 99 Cb -0.18 -1.88 0.04 0.00 -0.40 0.00 0.00 41.96 39.54 1mif s TYR 99 CO 0.16 0.31 -0.00 0.71 -1.57 0.00 0.00 175.55 175.16 1mif s TYR 100 N -0.40 0.95 -0.32 2.71 2.02 0.11 -4.94 117.35 117.47 1mif s TYR 100 Ca 0.08 -0.51 -0.23 0.00 -0.37 0.00 0.00 57.07 56.04 1mif s TYR 100 Cb -0.12 -0.96 0.00 0.00 -0.40 0.00 0.00 41.96 40.48 1mif s TYR 100 CO 0.02 -0.46 0.77 0.34 -1.57 0.00 0.00 175.55 174.66 1mif s ASP 101 N 1.88 6.61 -0.12 2.29 -1.08 -1.26 -1.14 116.67 123.86 1mif s ASP 101 Ca 0.03 0.54 -0.08 0.00 -0.52 0.00 0.00 52.55 52.52 1mif s ASP 101 Cb -0.14 -2.40 -0.04 0.00 -1.46 0.00 0.00 42.92 38.88 1mif s ASP 101 CO -0.07 -0.64 0.17 -0.04 0.52 0.00 0.00 175.17 175.12 1mif s MET 102 N 2.96 3.60 0.09 4.34 -1.94 0.19 -4.93 119.30 123.61 1mif s MET 102 Ca 0.31 -0.08 -0.28 0.00 -1.71 0.00 0.00 55.69 53.94 1mif s MET 102 Cb -0.14 -3.23 -0.06 0.00 2.01 0.00 0.00 34.83 33.42 1mif s MET 102 CO 0.14 0.70 0.88 1.21 -0.01 0.00 0.00 175.02 177.93 1mif s ASN 103 N -0.83 7.39 0.63 3.03 3.84 -1.26 -4.05 114.94 123.68 1mif s ASN 103 Ca 0.15 1.66 0.34 0.00 0.21 0.00 0.00 52.86 55.22 1mif s ASN 103 Cb -0.12 -2.54 1.93 0.00 -0.55 0.00 0.00 41.25 39.97 1mif s ASN 103 CO 0.04 -0.01 2.18 0.00 -2.79 0.00 0.00 177.10 176.52 1mif h ALA 104 N 5.50 1.42 0.00 1.71 0.00 -1.93 -0.06 119.26 125.89 1mif h ALA 104 Ca -0.44 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 1mif h ALA 104 Cb 1.21 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1mif h ALA 104 CO 0.71 -0.17 -0.33 0.00 0.00 0.00 0.00 179.25 179.46 1mif h ALA 105 N 1.79 0.88 -0.59 0.00 0.00 -1.92 -1.71 119.26 117.71 1mif h ALA 105 Ca 0.03 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 1mif h ALA 105 Cb 0.30 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 1mif h ALA 105 CO -0.00 0.41 0.16 0.43 0.00 0.00 0.00 179.25 180.25 1mif n SER 106 N -3.32 4.59 -3.80 0.00 7.64 -0.04 -4.79 113.62 113.90 1mif n SER 106 Ca 0.01 -2.95 -0.24 0.00 1.01 0.00 0.00 58.87 56.70 1mif n SER 106 Cb 0.56 -0.70 -0.17 0.00 -1.01 0.00 0.00 64.21 62.89 1mif n SER 106 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1mif s VAL 107 N -2.57 0.52 -0.03 0.44 1.01 -1.20 -4.91 120.40 113.67 1mif s VAL 107 Ca 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.43 1mif s VAL 107 Cb 0.37 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 1mif s VAL 107 CO 0.12 0.26 0.09 -0.83 0.00 0.00 0.00 175.10 174.74 1mif s GLY 108 N 1.91 2.03 -0.21 4.51 0.00 -1.26 -2.01 107.32 112.28 1mif s GLY 108 Ca 0.05 -0.83 -0.27 0.00 0.00 0.00 0.00 44.72 43.67 1mif s GLY 108 CO -0.06 -0.68 0.75 0.66 0.00 0.00 0.00 173.10 173.77 1mif s TRP 109 N -1.16 -0.71 -1.04 1.90 1.48 0.11 -4.95 118.94 114.58 1mif s TRP 109 Ca 0.21 1.60 -0.17 0.00 -1.06 0.00 0.00 56.10 56.68 1mif s TRP 109 Cb -0.12 0.32 0.01 0.00 -1.16 0.00 0.00 33.47 32.52 1mif s TRP 109 CO 0.12 -0.42 0.72 -1.71 -4.06 0.00 0.00 176.95 171.60 1mif n ASN 110 N 2.12 -5.23 -0.21 -2.66 4.05 -1.26 -1.51 115.26 110.57 1mif n ASN 110 Ca -0.15 -0.97 -0.03 0.00 0.45 0.00 0.00 54.58 53.88 1mif n ASN 110 Cb 0.56 -2.80 -0.01 0.00 1.23 0.00 0.00 39.78 38.75 1mif n ASN 110 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1mif n ASN 111 N -2.44 -5.80 -0.60 1.20 4.13 -1.26 -4.87 115.26 105.61 1mif n ASN 111 Ca -0.14 0.07 0.00 0.00 1.68 0.00 0.00 54.58 56.19 1mif n ASN 111 Cb 0.60 -3.54 0.00 0.00 -1.54 0.00 0.00 39.78 35.29 1mif n ASN 111 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1mif n SER 112 N -0.99 0.00 -4.36 6.41 2.88 -0.57 -5.19 113.62 111.81 1mif n SER 112 Ca -0.03 -0.60 -0.19 0.00 -1.33 0.00 0.00 58.87 56.72 1mif n SER 112 Cb 0.50 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.86 1mif n SER 112 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1mif s THR 113 N -2.71 1.52 -1.67 2.46 -4.23 -1.26 0.07 115.64 109.81 1mif s THR 113 Ca 0.00 -2.14 0.14 0.00 -1.18 0.00 0.00 61.69 58.51 1mif s THR 113 Cb 0.00 -2.20 0.31 0.00 1.34 0.00 0.00 72.50 71.95 1mif s THR 113 CO 0.00 -0.47 1.33 0.49 -0.54 0.00 0.00 174.62 175.43 1mif n PHE 114 N -0.43 0.00 1.47 3.99 3.72 -0.69 -4.91 117.46 120.61 1mif n PHE 114 Ca -0.07 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.45 1mif n PHE 114 Cb 0.62 -0.17 0.70 0.00 -0.94 0.00 0.00 39.48 39.69 1mif n PHE 114 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71