#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6t n ASN 7 N 0.00 0.35 -0.14 6.55 5.03 -1.26 -2.93 115.26 122.86 1f6t n ASN 7 Ca 0.00 -0.63 0.07 0.00 0.87 0.00 0.00 54.58 54.89 1f6t n ASN 7 Cb 0.00 -0.16 -0.05 0.00 -1.02 0.00 0.00 39.78 38.55 1f6t n ASN 7 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1f6t n LYS 8 N 0.37 1.85 -1.47 3.52 3.00 -1.26 -3.97 118.16 120.20 1f6t n LYS 8 Ca 0.00 -0.32 -0.40 0.00 -0.00 0.00 0.00 58.31 57.59 1f6t n LYS 8 Cb 0.08 -1.24 0.02 0.00 0.00 0.00 0.00 35.03 33.89 1f6t n LYS 8 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1f6t n GLU 9 N -0.87 0.62 -4.19 1.64 2.13 -1.15 -4.63 120.64 114.19 1f6t n GLU 9 Ca 0.04 0.23 -0.13 0.00 0.66 0.00 0.00 57.16 57.97 1f6t n GLU 9 Cb 0.28 -1.64 -0.10 0.00 0.27 0.00 0.00 31.44 30.24 1f6t n GLU 9 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1f6t s ARG 10 N -1.83 0.90 0.00 5.31 0.52 -1.26 -1.04 118.95 121.55 1f6t s ARG 10 Ca 0.65 -1.30 -0.04 0.00 -0.52 0.00 0.00 55.73 54.52 1f6t s ARG 10 Cb -0.53 -0.45 -0.00 0.00 0.52 0.00 0.00 34.95 34.49 1f6t s ARG 10 CO 0.56 0.05 0.08 -0.08 0.02 0.00 0.00 175.30 175.93 1f6t s THR 11 N -3.08 0.08 -0.03 0.02 -1.32 -0.42 -4.64 115.64 106.26 1f6t s THR 11 Ca 0.11 -0.66 -0.13 0.00 -1.21 0.00 0.00 61.69 59.80 1f6t s THR 11 Cb 0.01 -0.34 -0.05 0.00 -1.51 0.00 0.00 72.50 70.61 1f6t s THR 11 CO -0.01 -0.36 0.34 0.12 -2.21 0.00 0.00 174.62 172.49 1f6t s PHE 12 N -1.20 3.69 -0.04 9.09 5.36 -1.26 -1.80 117.98 131.82 1f6t s PHE 12 Ca -0.13 0.87 -0.08 0.00 -0.96 0.00 0.00 56.93 56.63 1f6t s PHE 12 Cb -0.07 -2.19 0.01 0.00 -0.34 0.00 0.00 43.02 40.42 1f6t s PHE 12 CO 0.01 0.66 0.18 -0.51 -1.46 0.00 0.00 175.22 174.10 1f6t s LEU 13 N -1.11 1.34 -0.04 6.12 1.43 -0.55 -0.99 118.68 124.87 1f6t s LEU 13 Ca 0.22 0.11 -0.03 0.00 -1.03 0.00 0.00 54.13 53.40 1f6t s LEU 13 Cb -0.15 0.73 0.01 0.00 0.03 0.00 0.00 46.19 46.81 1f6t s LEU 13 CO 0.11 -0.23 0.09 0.00 0.23 0.00 0.00 176.35 176.56 1f6t s ALA 14 N -0.66 -0.21 -0.29 4.21 0.00 -0.07 -1.24 121.76 123.50 1f6t s ALA 14 Ca -0.07 0.33 -0.21 0.00 0.00 0.00 0.00 51.96 52.00 1f6t s ALA 14 Cb -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 1f6t s ALA 14 CO 0.01 -0.07 0.65 0.08 0.00 0.00 0.00 175.76 176.43 1f6t s VAL 15 N 0.29 4.94 1.01 0.00 1.01 0.19 -1.04 120.40 126.81 1f6t s VAL 15 Ca -0.02 0.99 -0.13 0.00 0.00 0.00 0.00 61.98 62.82 1f6t s VAL 15 Cb -0.03 -3.99 0.19 0.00 0.00 0.00 0.00 36.38 32.55 1f6t s VAL 15 CO -0.01 -0.09 1.10 -0.54 0.00 0.00 0.00 175.10 175.56 1f6t s LYS 16 N 2.61 0.33 0.32 2.72 1.02 -0.03 -2.11 119.74 124.60 1f6t s LYS 16 Ca 0.26 0.44 0.09 0.00 0.02 0.00 0.00 55.97 56.78 1f6t s LYS 16 Cb -0.15 -1.73 0.86 0.00 -0.52 0.00 0.00 37.83 36.29 1f6t s LYS 16 CO 0.11 -2.78 1.74 -1.35 -0.92 0.00 0.00 175.35 172.15 1f6t h PRO 17 N -1.93 0.60 0.03 -1.68 0.11 -1.83 0.19 132.00 127.50 1f6t h PRO 17 Ca -0.54 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.53 1f6t h PRO 17 Cb 1.33 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1f6t h PRO 17 CO 0.57 0.40 -0.01 0.38 -0.21 0.00 0.00 178.00 179.13 1f6t h ASP 18 N 0.62 -0.03 -0.70 -2.05 2.03 -1.88 0.58 116.42 114.99 1f6t h ASP 18 Ca 0.63 -0.29 0.04 0.00 -0.73 0.00 0.00 57.03 56.67 1f6t h ASP 18 Cb 1.15 0.01 -0.05 0.00 -0.83 0.00 0.00 39.33 39.62 1f6t h ASP 18 CO -0.45 0.27 0.43 1.23 -1.03 0.00 0.00 179.24 179.69 1f6t h GLY 19 N -0.35 1.01 0.76 7.15 0.00 -1.39 0.30 103.07 110.56 1f6t h GLY 19 Ca -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1f6t h GLY 19 CO 0.01 0.25 -0.08 -2.08 0.00 0.00 0.00 176.54 174.64 1f6t h VAL 20 N 0.82 0.94 -0.44 4.60 2.07 -0.58 -1.08 116.25 122.58 1f6t h VAL 20 Ca 0.29 -0.50 0.07 0.00 0.82 0.00 0.00 66.70 67.38 1f6t h VAL 20 Cb 0.07 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1f6t h VAL 20 CO -0.13 0.12 0.30 0.00 0.02 0.00 0.00 177.57 177.88 1f6t h ALA 21 N 0.33 2.05 -0.02 1.67 0.00 0.60 -0.29 119.26 123.59 1f6t h ALA 21 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1f6t h ALA 21 Cb 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1f6t h ALA 21 CO 0.04 -0.14 0.00 0.54 0.00 0.00 0.00 179.25 179.69 1f6t n ARG 22 N -4.47 1.36 -2.90 0.00 1.74 0.10 -4.95 116.66 107.54 1f6t n ARG 22 Ca 0.06 -0.53 -0.11 0.00 -0.77 0.00 0.00 57.85 56.51 1f6t n ARG 22 Cb 0.31 -1.46 0.05 0.00 -1.02 0.00 0.00 32.46 30.33 1f6t n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1f6t n GLY 23 N 1.07 -0.01 0.30 -0.13 0.00 -0.12 -4.97 105.19 101.33 1f6t n GLY 23 Ca 0.20 -0.14 0.03 0.00 0.00 0.00 0.00 46.02 46.12 1f6t n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1f6t n LEU 24 N -2.90 1.97 0.09 0.99 4.77 -0.44 -4.73 117.00 116.75 1f6t n LEU 24 Ca -0.14 -1.44 -0.12 0.00 -0.03 0.00 0.00 56.01 54.28 1f6t n LEU 24 Cb 0.59 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.57 1f6t n LEU 24 CO 0.36 0.46 0.76 0.58 -1.33 0.00 0.00 177.39 178.22 1f6t h VAL 25 N 1.21 0.63 -0.21 4.08 2.07 -1.88 0.02 116.25 122.17 1f6t h VAL 25 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1f6t h VAL 25 Cb 0.43 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1f6t h VAL 25 CO 0.00 0.00 0.07 1.23 0.02 0.00 0.00 177.57 178.89 1f6t h GLY 26 N -0.30 0.35 0.52 2.17 0.00 -1.97 0.42 103.07 104.25 1f6t h GLY 26 Ca 0.03 -0.20 0.08 0.00 0.00 0.00 0.00 47.33 47.24 1f6t h GLY 26 CO -0.11 0.19 0.27 -2.09 0.00 0.00 0.00 176.54 174.80 1f6t h GLU 27 N 0.17 0.48 -0.30 4.80 4.57 -1.83 0.12 114.58 122.60 1f6t h GLU 27 Ca 0.07 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.15 1f6t h GLU 27 Cb 0.21 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1f6t h GLU 27 CO -0.00 0.31 -0.10 0.82 -1.18 0.00 0.00 179.01 178.86 1f6t h ILE 28 N 0.49 1.29 -0.64 2.32 2.04 -0.71 -2.34 117.51 119.95 1f6t h ILE 28 Ca 0.29 -1.17 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 1f6t h ILE 28 Cb 0.29 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1f6t h ILE 28 CO -0.25 0.37 0.38 0.40 0.00 0.00 0.00 178.15 179.05 1f6t h ILE 29 N 0.35 1.19 -0.71 -0.67 2.04 -0.59 -2.75 117.51 116.37 1f6t h ILE 29 Ca 0.07 -0.45 0.04 0.00 1.00 0.00 0.00 64.86 65.52 1f6t h ILE 29 Cb 0.61 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1f6t h ILE 29 CO 0.04 0.20 0.47 0.00 0.00 0.00 0.00 178.15 178.85 1f6t h ALA 30 N 1.19 1.60 -0.81 1.87 0.00 -0.64 -1.38 119.26 121.10 1f6t h ALA 30 Ca 0.23 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1f6t h ALA 30 Cb -0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1f6t h ALA 30 CO -0.04 0.32 0.38 0.00 0.00 0.00 0.00 179.25 179.91 1f6t h ARG 31 N 0.84 1.17 -0.02 0.00 3.08 -1.12 -1.06 114.38 117.28 1f6t h ARG 31 Ca 0.28 -0.18 -0.20 0.00 0.07 0.00 0.00 59.98 59.96 1f6t h ARG 31 Cb 0.07 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1f6t h ARG 31 CO -0.08 0.91 -0.83 1.88 -1.07 0.00 0.00 179.97 180.78 1f6t h TYR 32 N 1.15 0.44 0.02 3.04 0.05 -1.36 -2.70 116.97 117.61 1f6t h TYR 32 Ca 0.28 -0.22 -0.00 0.00 0.05 0.00 0.00 58.73 58.83 1f6t h TYR 32 Cb 0.13 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 37.82 1f6t h TYR 32 CO 0.01 1.01 -0.01 0.93 -1.05 0.00 0.00 178.16 179.05 1f6t h GLU 33 N 0.19 -0.03 -0.90 4.88 5.08 -1.04 -1.75 114.58 121.01 1f6t h GLU 33 Ca -0.05 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.42 1f6t h GLU 33 Cb 1.43 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.62 1f6t h GLU 33 CO 0.14 0.09 0.58 0.87 -1.00 0.00 0.00 179.01 179.69 1f6t h LYS 34 N -0.14 0.86 0.00 2.33 1.57 -1.20 -0.49 116.57 119.50 1f6t h LYS 34 Ca -0.00 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 1f6t h LYS 34 Cb 0.13 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1f6t h LYS 34 CO 0.00 0.57 -0.21 -0.22 -0.57 0.00 0.00 179.45 179.02 1f6t h LYS 35 N 0.88 0.00 0.00 3.15 1.63 -1.32 -3.47 116.57 117.44 1f6t h LYS 35 Ca 0.43 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.23 1f6t h LYS 35 Cb 0.44 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 1f6t h LYS 35 CO -0.19 0.21 0.00 0.41 -3.45 0.00 0.00 179.45 176.43 1f6t n GLY 36 N -0.83 1.08 3.79 5.01 0.00 -0.19 -5.11 105.19 108.94 1f6t n GLY 36 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1f6t n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1f6t s PHE 37 N -2.00 3.70 -0.22 1.61 0.08 -0.68 -4.96 117.98 115.51 1f6t s PHE 37 Ca 0.00 1.73 -0.09 0.00 0.12 0.00 0.00 56.93 58.69 1f6t s PHE 37 Cb 0.00 -2.88 -0.04 0.00 -0.57 0.00 0.00 43.02 39.53 1f6t s PHE 37 CO 0.00 0.24 0.10 0.08 -0.10 0.00 0.00 175.22 175.54 1f6t s VAL 38 N -1.59 4.95 -0.22 -0.44 1.01 -0.43 -4.30 120.40 119.37 1f6t s VAL 38 Ca 0.49 0.03 -0.29 0.00 0.00 0.00 0.00 61.98 62.21 1f6t s VAL 38 Cb -0.19 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 1f6t s VAL 38 CO 0.24 0.40 1.48 -0.22 0.00 0.00 0.00 175.10 176.99 1f6t s LEU 39 N 0.83 3.96 -0.02 3.92 2.96 -1.26 -0.39 118.68 128.68 1f6t s LEU 39 Ca 0.05 1.55 0.08 0.00 -0.22 0.00 0.00 54.13 55.59 1f6t s LEU 39 Cb -0.13 -3.54 0.22 0.00 0.50 0.00 0.00 46.19 43.24 1f6t s LEU 39 CO 0.02 -1.11 1.18 1.33 -1.32 0.00 0.00 176.35 176.45 1f6t n VAL 40 N 6.14 1.15 -3.64 1.68 0.24 0.79 -4.93 118.33 119.75 1f6t n VAL 40 Ca 0.17 -1.13 -0.06 0.00 -2.04 0.00 0.00 64.34 61.28 1f6t n VAL 40 Cb 0.45 0.40 -0.07 0.00 -1.47 0.00 0.00 33.84 33.16 1f6t n VAL 40 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1f6t s GLY 41 N -1.17 0.07 -0.28 7.63 0.00 -1.17 -0.41 107.32 112.00 1f6t s GLY 41 Ca 0.17 3.06 -0.23 0.00 0.00 0.00 0.00 44.72 47.72 1f6t s GLY 41 CO 0.09 2.02 0.83 -2.27 0.00 0.00 0.00 173.10 173.76 1f6t s LEU 42 N 0.35 -0.67 -0.25 0.66 2.96 -1.26 -1.44 118.68 119.03 1f6t s LEU 42 Ca 0.02 1.24 -0.28 0.00 -0.22 0.00 0.00 54.13 54.89 1f6t s LEU 42 Cb -0.05 2.24 0.17 0.00 0.50 0.00 0.00 46.19 49.05 1f6t s LEU 42 CO -0.10 -0.21 1.25 -1.59 -1.32 0.00 0.00 176.35 174.38 1f6t s LYS 43 N 0.53 0.24 0.17 1.98 -2.85 -0.60 -5.00 119.74 114.21 1f6t s LYS 43 Ca -0.01 0.10 0.04 0.00 -1.00 0.00 0.00 55.97 55.11 1f6t s LYS 43 Cb -0.05 0.11 -0.04 0.00 -2.06 0.00 0.00 37.83 35.80 1f6t s LYS 43 CO -0.04 -0.06 0.19 -1.14 0.10 0.00 0.00 175.35 174.39 1f6t s GLN 44 N -0.78 3.08 0.07 1.78 0.74 -1.26 -0.76 119.66 122.53 1f6t s GLN 44 Ca 0.05 -0.80 -0.28 0.00 0.05 0.00 0.00 55.36 54.38 1f6t s GLN 44 Cb -0.02 -2.74 0.09 0.00 1.10 0.00 0.00 33.01 31.44 1f6t s GLN 44 CO -0.06 0.49 1.10 -0.48 -0.55 0.00 0.00 175.29 175.79 1f6t s LEU 45 N -3.24 -0.13 -0.56 3.68 2.34 -0.37 -4.96 118.68 115.45 1f6t s LEU 45 Ca 0.32 -0.27 -0.01 0.00 0.06 0.00 0.00 54.13 54.23 1f6t s LEU 45 Cb -0.10 1.81 0.15 0.00 -0.56 0.00 0.00 46.19 47.48 1f6t s LEU 45 CO 0.25 -0.62 0.36 -0.69 -1.06 0.00 0.00 176.35 174.59 1f6t s VAL 46 N -2.90 3.40 0.38 1.48 1.01 -1.26 0.30 120.40 122.82 1f6t s VAL 46 Ca 0.13 -2.87 -0.23 0.00 0.00 0.00 0.00 61.98 59.01 1f6t s VAL 46 Cb 0.01 -3.26 -0.14 0.00 0.00 0.00 0.00 36.38 32.99 1f6t s VAL 46 CO -0.01 -0.83 0.44 -2.65 0.00 0.00 0.00 175.10 172.06 1f6t n PRO 47 N 3.61 0.39 -2.66 2.72 -0.02 -1.26 -5.01 135.00 132.78 1f6t n PRO 47 Ca 0.06 0.14 -0.26 0.00 -2.02 0.00 0.00 63.50 61.41 1f6t n PRO 47 Cb 0.38 -1.33 0.01 0.00 -0.02 0.00 0.00 33.50 32.53 1f6t n PRO 47 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1f6t s THR 48 N -1.45 4.45 0.29 3.45 -4.23 -1.26 -4.62 115.64 112.27 1f6t s THR 48 Ca 0.62 0.01 -0.02 0.00 -1.18 0.00 0.00 61.69 61.12 1f6t s THR 48 Cb -0.65 -3.70 0.24 0.00 1.34 0.00 0.00 72.50 69.73 1f6t s THR 48 CO 0.59 -0.66 1.94 0.50 -0.54 0.00 0.00 174.62 176.45 1f6t h LYS 49 N 0.17 1.07 -0.00 3.99 3.64 -1.94 -0.16 116.57 123.33 1f6t h LYS 49 Ca -0.47 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 1f6t h LYS 49 Cb 1.23 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1f6t h LYS 49 CO 0.61 0.75 0.00 -0.44 -2.27 0.00 0.00 179.45 178.10 1f6t h ASP 50 N 1.09 0.00 0.60 4.20 3.32 -1.98 1.00 116.42 124.65 1f6t h ASP 50 Ca 0.29 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 1f6t h ASP 50 Cb -0.05 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1f6t h ASP 50 CO -0.05 0.01 -0.33 0.25 -1.72 0.00 0.00 179.24 177.40 1f6t h LEU 51 N -0.01 -0.80 -0.04 1.55 5.85 -1.81 0.10 115.31 120.16 1f6t h LEU 51 Ca 0.00 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1f6t h LEU 51 Cb 0.01 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 1f6t h LEU 51 CO -0.00 -0.53 -0.33 0.00 -0.34 0.00 0.00 178.44 177.24 1f6t h ALA 52 N -0.49 -0.46 -0.56 1.25 0.00 -0.96 0.61 119.26 118.65 1f6t h ALA 52 Ca -0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1f6t h ALA 52 Cb 0.68 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1f6t h ALA 52 CO 0.11 -0.84 0.26 0.93 0.00 0.00 0.00 179.25 179.71 1f6t h GLU 53 N -0.46 0.79 -0.06 0.00 5.08 -0.79 -1.59 114.58 117.56 1f6t h GLU 53 Ca 0.07 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1f6t h GLU 53 Cb 0.57 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1f6t h GLU 53 CO -0.30 0.62 -0.08 1.03 -1.00 0.00 0.00 179.01 179.29 1f6t h SER 54 N 0.79 0.17 -0.24 1.42 0.87 -0.20 -2.86 113.55 113.49 1f6t h SER 54 Ca 0.20 -0.52 0.05 0.00 -1.23 0.00 0.00 61.79 60.29 1f6t h SER 54 Cb 0.10 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 61.96 1f6t h SER 54 CO -0.02 0.65 -0.10 -0.74 -0.53 0.00 0.00 176.83 176.09 1f6t h HIS 55 N -0.32 -0.24 -0.70 2.24 -0.00 0.46 -1.57 115.15 115.02 1f6t h HIS 55 Ca 0.01 0.03 -0.44 0.00 -0.00 0.00 0.00 60.37 59.96 1f6t h HIS 55 Cb 0.62 0.15 -0.18 0.00 -0.00 0.00 0.00 27.41 27.99 1f6t h HIS 55 CO 0.10 -0.16 0.55 0.66 -0.00 0.00 0.00 177.93 179.08 1f6t n TYR 56 N -5.27 2.01 1.39 5.26 4.01 -0.62 -4.58 117.16 119.35 1f6t n TYR 56 Ca -0.01 -2.24 0.11 0.00 -0.16 0.00 0.00 57.90 55.60 1f6t n TYR 56 Cb 0.19 -1.13 0.66 0.00 -0.31 0.00 0.00 39.34 38.75 1f6t n TYR 56 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1f6t n ALA 57 N 0.06 2.33 1.03 -0.72 0.00 -0.59 -2.53 120.51 120.09 1f6t n ALA 57 Ca 0.41 -0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.82 1f6t n ALA 57 Cb 0.59 -1.37 0.04 0.00 0.00 0.00 0.00 19.45 18.72 1f6t n ALA 57 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1f6t n GLU 58 N -1.02 0.50 -2.38 0.00 0.28 -1.26 -4.25 120.64 112.52 1f6t n GLU 58 Ca 0.17 -0.39 -0.27 0.00 -0.16 0.00 0.00 57.16 56.51 1f6t n GLU 58 Cb 0.08 -1.49 0.01 0.00 1.43 0.00 0.00 31.44 31.47 1f6t n GLU 58 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1f6t n HIS 59 N -0.91 3.30 0.09 -1.84 8.25 -1.05 -4.82 115.22 118.23 1f6t n HIS 59 Ca 0.07 -2.95 -0.11 0.00 -0.26 0.00 0.00 57.72 54.48 1f6t n HIS 59 Cb 0.38 -0.17 -0.07 0.00 1.12 0.00 0.00 29.99 31.25 1f6t n HIS 59 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1f6t h LYS 60 N 2.53 -0.28 -0.60 -0.41 2.10 -1.74 -3.33 116.57 114.84 1f6t h LYS 60 Ca 0.32 0.02 -0.10 0.00 -2.00 0.00 0.00 60.65 58.89 1f6t h LYS 60 Cb 0.99 0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 32.36 1f6t h LYS 60 CO 0.86 0.09 -0.01 0.93 -2.00 0.00 0.00 179.45 179.32 1f6t h GLU 61 N -0.90 1.06 -6.22 0.07 5.08 -1.94 -3.45 114.58 108.28 1f6t h GLU 61 Ca -0.03 -0.34 -0.64 0.00 -1.00 0.00 0.00 59.36 57.36 1f6t h GLU 61 Cb 0.50 -0.10 0.12 0.00 0.50 0.00 0.00 28.75 29.77 1f6t h GLU 61 CO 0.05 1.04 -0.29 0.54 -1.00 0.00 0.00 179.01 179.34 1f6t n ARG 62 N -4.18 0.57 0.00 2.33 5.12 -1.25 -4.93 116.66 114.33 1f6t n ARG 62 Ca 0.03 0.20 0.00 0.00 -1.93 0.00 0.00 57.85 56.15 1f6t n ARG 62 Cb 0.35 -1.38 0.00 0.00 -1.16 0.00 0.00 32.46 30.28 1f6t n ARG 62 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1f6t n PRO 63 N 0.86 0.00 0.16 5.56 -0.04 -1.26 -3.22 135.00 137.06 1f6t n PRO 63 Ca 0.14 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 1f6t n PRO 63 Cb 0.30 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 1f6t n PRO 63 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1f6t n PHE 64 N -1.31 0.00 -0.32 0.54 1.16 -1.26 -2.69 117.46 113.58 1f6t n PHE 64 Ca 0.00 0.00 0.21 0.00 -1.87 0.00 0.00 57.45 55.79 1f6t n PHE 64 Cb 0.00 0.00 0.41 0.00 -1.61 0.00 0.00 39.48 38.28 1f6t n PHE 64 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1f6t h PHE 65 N 0.00 0.49 0.80 2.97 3.57 -1.78 0.39 116.94 123.39 1f6t h PHE 65 Ca 0.00 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 1f6t h PHE 65 Cb 1.24 -0.06 0.01 0.00 2.79 0.00 0.00 35.95 39.93 1f6t h PHE 65 CO 0.00 -0.34 -0.38 0.78 -2.23 0.00 0.00 178.31 176.13 1f6t h GLY 66 N 0.11 -1.12 0.86 2.40 0.00 -1.79 0.18 103.07 103.72 1f6t h GLY 66 Ca 0.69 0.42 0.06 0.00 0.00 0.00 0.00 47.33 48.49 1f6t h GLY 66 CO -0.75 -0.41 0.60 -1.33 0.00 0.00 0.00 176.54 174.65 1f6t h GLY 67 N -1.19 1.35 0.27 4.60 0.00 -1.64 0.32 103.07 106.79 1f6t h GLY 67 Ca -0.11 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 1f6t h GLY 67 CO 0.18 0.33 -0.14 -2.00 0.00 0.00 0.00 176.54 174.91 1f6t h LEU 68 N 1.08 -0.32 -0.89 3.11 5.85 -0.15 0.70 115.31 124.69 1f6t h LEU 68 Ca 0.39 0.01 0.24 0.00 0.84 0.00 0.00 57.88 59.36 1f6t h LEU 68 Cb 0.15 0.08 -0.14 0.00 0.37 0.00 0.00 40.66 41.13 1f6t h LEU 68 CO -0.14 -0.23 0.29 0.58 -0.34 0.00 0.00 178.44 178.60 1f6t h VAL 69 N -0.37 0.34 -0.07 1.05 2.07 -0.44 -0.31 116.25 118.51 1f6t h VAL 69 Ca -0.04 -0.09 -0.14 0.00 0.82 0.00 0.00 66.70 67.26 1f6t h VAL 69 Cb 0.29 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1f6t h VAL 69 CO 0.06 0.05 -0.59 -1.28 0.02 0.00 0.00 177.57 175.83 1f6t h SER 70 N 0.25 0.26 -0.12 0.57 0.87 -0.12 -3.10 113.55 112.16 1f6t h SER 70 Ca 0.57 -0.14 -0.07 0.00 -1.23 0.00 0.00 61.79 60.92 1f6t h SER 70 Cb 1.16 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1f6t h SER 70 CO -0.63 0.79 -0.20 0.15 -0.53 0.00 0.00 176.83 176.41 1f6t h PHE 71 N 0.17 0.43 -0.07 2.24 3.57 0.22 -2.75 116.94 120.75 1f6t h PHE 71 Ca -0.00 -0.15 0.02 0.00 3.53 0.00 0.00 57.97 61.37 1f6t h PHE 71 Cb 1.08 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.74 1f6t h PHE 71 CO 0.02 0.81 0.12 0.97 -2.23 0.00 0.00 178.31 178.00 1f6t h ILE 72 N -0.07 0.29 -0.14 1.41 2.10 -1.45 0.40 117.51 120.06 1f6t h ILE 72 Ca 0.01 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.95 1f6t h ILE 72 Cb 0.77 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 37.39 1f6t h ILE 72 CO 0.05 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 177.47 1f6t n THR 73 N -3.49 0.15 0.80 2.19 -2.24 -1.17 -4.38 114.28 106.15 1f6t n THR 73 Ca -0.01 -0.58 0.11 0.00 -2.27 0.00 0.00 64.05 61.30 1f6t n THR 73 Cb 0.21 1.35 0.48 0.00 -2.10 0.00 0.00 70.33 70.27 1f6t n THR 73 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1f6t n SER 74 N 1.39 0.00 0.00 3.42 3.41 0.14 -4.80 113.62 117.18 1f6t n SER 74 Ca 0.16 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 1f6t n SER 74 Cb 0.60 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1f6t n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f6t n GLY 75 N 0.77 -0.97 3.57 5.00 0.00 -1.26 -5.11 105.19 107.20 1f6t n GLY 75 Ca 0.06 -1.04 -0.49 0.00 0.00 0.00 0.00 46.02 44.55 1f6t n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1f6t n PRO 76 N -0.13 1.12 -4.48 1.61 -0.04 -1.26 -4.59 135.00 127.23 1f6t n PRO 76 Ca 0.00 0.40 -0.24 0.00 -0.04 0.00 0.00 63.50 63.62 1f6t n PRO 76 Cb 0.00 -1.89 -0.17 0.00 -0.04 0.00 0.00 33.50 31.40 1f6t n PRO 76 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1f6t s VAL 77 N -0.18 1.04 -0.48 0.52 1.01 0.15 -3.72 120.40 118.74 1f6t s VAL 77 Ca 0.74 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 62.14 1f6t s VAL 77 Cb -0.87 -0.96 0.07 0.00 0.00 0.00 0.00 36.38 34.61 1f6t s VAL 77 CO 0.52 0.34 0.47 -0.69 0.00 0.00 0.00 175.10 175.73 1f6t s VAL 78 N 0.77 5.12 0.23 2.92 1.01 -0.90 -1.23 120.40 128.31 1f6t s VAL 78 Ca -0.13 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 60.93 1f6t s VAL 78 Cb -0.15 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 31.99 1f6t s VAL 78 CO 0.02 -0.64 0.51 0.00 0.00 0.00 0.00 175.10 174.99 1f6t s ALA 79 N 1.97 3.65 0.03 5.51 0.00 0.06 -0.64 121.76 132.34 1f6t s ALA 79 Ca 0.08 -0.45 -0.27 0.00 0.00 0.00 0.00 51.96 51.32 1f6t s ALA 79 Cb -0.22 -2.31 0.09 0.00 0.00 0.00 0.00 23.12 20.68 1f6t s ALA 79 CO 0.09 0.46 0.79 0.00 0.00 0.00 0.00 175.76 177.09 1f6t s MET 80 N -3.03 0.97 -0.11 0.00 0.23 -0.38 -1.55 119.30 115.43 1f6t s MET 80 Ca 0.44 -0.27 0.01 0.00 -1.03 0.00 0.00 55.69 54.84 1f6t s MET 80 Cb -0.11 0.45 0.02 0.00 -1.53 0.00 0.00 34.83 33.66 1f6t s MET 80 CO 0.25 -0.41 -0.11 0.54 -2.03 0.00 0.00 175.02 173.27 1f6t s VAL 81 N -2.99 1.21 -0.03 5.16 0.11 -0.52 -1.49 120.40 121.85 1f6t s VAL 81 Ca 0.02 -0.44 0.02 0.00 -2.93 0.00 0.00 61.98 58.65 1f6t s VAL 81 Cb -0.01 -1.17 -0.03 0.00 -1.53 0.00 0.00 36.38 33.64 1f6t s VAL 81 CO -0.08 0.39 -0.06 -0.36 -3.33 0.00 0.00 175.10 171.67 1f6t s PHE 82 N 1.35 2.94 -0.05 1.54 0.08 -0.75 -0.15 117.98 122.95 1f6t s PHE 82 Ca -0.01 0.01 0.06 0.00 0.12 0.00 0.00 56.93 57.12 1f6t s PHE 82 Cb -0.14 -1.66 -0.01 0.00 -0.57 0.00 0.00 43.02 40.64 1f6t s PHE 82 CO -0.05 0.38 -0.25 -2.00 -0.10 0.00 0.00 175.22 173.20 1f6t s GLU 83 N -1.19 2.46 0.00 0.44 2.12 0.47 -1.30 118.70 121.71 1f6t s GLU 83 Ca 0.15 -0.90 0.00 0.00 0.36 0.00 0.00 54.97 54.58 1f6t s GLU 83 Cb -0.11 -2.15 0.00 0.00 0.26 0.00 0.00 34.13 32.13 1f6t s GLU 83 CO 0.05 0.43 0.00 0.41 -0.54 0.00 0.00 175.26 175.61 1f6t n GLY 84 N 2.82 -0.74 3.64 -1.50 0.00 -0.21 -1.32 105.19 107.89 1f6t n GLY 84 Ca -0.17 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 1f6t n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1f6t s LYS 85 N -2.00 4.02 -1.59 1.61 2.20 -1.25 -3.26 119.74 119.46 1f6t s LYS 85 Ca 0.00 1.44 -0.03 0.00 -0.36 0.00 0.00 55.97 57.02 1f6t s LYS 85 Cb 0.00 -3.86 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 1f6t s LYS 85 CO 0.00 -0.99 0.39 0.41 -0.36 0.00 0.00 175.35 174.80 1f6t n GLY 86 N 4.10 -0.47 0.25 5.54 0.00 -1.26 -4.91 105.19 108.44 1f6t n GLY 86 Ca 0.15 0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.31 1f6t n GLY 86 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1f6t h VAL 87 N -0.88 0.87 0.36 1.61 3.04 -1.83 -2.44 116.25 116.98 1f6t h VAL 87 Ca -0.50 -0.48 -0.02 0.00 -1.01 0.00 0.00 66.70 64.69 1f6t h VAL 87 Cb 1.36 1.27 0.00 0.00 -2.01 0.00 0.00 31.29 31.91 1f6t h VAL 87 CO 0.56 0.13 -0.17 0.58 -1.01 0.00 0.00 177.57 177.65 1f6t h VAL 88 N 0.00 0.59 -0.47 1.51 2.07 -1.89 -2.01 116.25 116.05 1f6t h VAL 88 Ca -0.00 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 1f6t h VAL 88 Cb 0.26 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1f6t h VAL 88 CO 0.02 0.10 0.07 0.00 0.02 0.00 0.00 177.57 177.77 1f6t h ALA 89 N -0.35 0.62 -0.41 1.67 0.00 -1.92 -3.03 119.26 115.84 1f6t h ALA 89 Ca -0.05 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.67 1f6t h ALA 89 Cb 0.53 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1f6t h ALA 89 CO 0.08 0.35 0.17 1.03 0.00 0.00 0.00 179.25 180.88 1f6t h SER 90 N 0.64 0.21 -0.59 0.00 0.87 -1.49 -2.11 113.55 111.09 1f6t h SER 90 Ca 0.14 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 1f6t h SER 90 Cb 0.40 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 1f6t h SER 90 CO 0.01 0.16 0.32 0.00 -0.53 0.00 0.00 176.83 176.78 1f6t h ALA 91 N 1.25 1.40 -0.32 6.23 0.00 -1.34 0.51 119.26 127.00 1f6t h ALA 91 Ca 0.18 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1f6t h ALA 91 Cb 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1f6t h ALA 91 CO -0.17 0.48 -0.40 0.00 0.00 0.00 0.00 179.25 179.17 1f6t h ARG 92 N 0.86 0.76 0.01 0.00 3.08 -1.35 -0.00 114.38 117.73 1f6t h ARG 92 Ca 0.22 -0.39 -0.00 0.00 0.07 0.00 0.00 59.98 59.87 1f6t h ARG 92 Cb 0.05 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1f6t h ARG 92 CO -0.03 1.02 -0.00 1.25 -1.07 0.00 0.00 179.97 181.13 1f6t h LEU 93 N 0.62 -0.01 -2.57 3.04 5.85 -0.87 -0.20 115.31 121.18 1f6t h LEU 93 Ca 0.05 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1f6t h LEU 93 Cb 0.95 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.98 1f6t h LEU 93 CO 0.09 0.01 0.00 0.24 -0.34 0.00 0.00 178.44 178.44 1f6t h MET 94 N -0.03 0.00 0.14 1.25 2.86 -0.70 -2.63 114.93 115.83 1f6t h MET 94 Ca -0.00 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.41 1f6t h MET 94 Cb 0.03 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.70 1f6t h MET 94 CO 0.00 0.00 -1.10 0.82 1.06 0.00 0.00 176.91 177.70 1f6t h ILE 95 N 0.00 1.32 0.00 -1.22 2.04 0.31 -0.78 117.51 119.17 1f6t h ILE 95 Ca 0.00 -2.51 0.00 0.00 1.00 0.00 0.00 64.86 63.35 1f6t h ILE 95 Cb 0.12 3.01 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 1f6t h ILE 95 CO 0.00 0.72 0.00 0.61 0.00 0.00 0.00 178.15 179.48 1f6t n GLY 96 N 1.70 0.11 3.18 5.37 0.00 -0.21 -0.79 105.19 114.54 1f6t n GLY 96 Ca -0.18 -1.46 -0.11 0.00 0.00 0.00 0.00 46.02 44.28 1f6t n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1f6t s VAL 97 N 0.00 0.51 0.29 1.61 -7.23 -1.26 -4.72 120.40 109.60 1f6t s VAL 97 Ca 0.00 -1.93 -0.02 0.00 -1.81 0.00 0.00 61.98 58.23 1f6t s VAL 97 Cb 0.00 -1.86 0.43 0.00 0.56 0.00 0.00 36.38 35.51 1f6t s VAL 97 CO 0.00 -0.69 1.53 0.41 -0.31 0.00 0.00 175.10 176.04 1f6t n THR 98 N -0.09 -0.41 -3.05 5.32 -1.04 -1.26 -3.95 114.28 109.80 1f6t n THR 98 Ca -0.09 2.19 -0.41 0.00 -2.04 0.00 0.00 64.05 63.70 1f6t n THR 98 Cb 0.62 -3.13 -0.06 0.00 -1.82 0.00 0.00 70.33 65.94 1f6t n THR 98 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1f6t s ASN 99 N -5.10 6.64 0.42 8.00 3.04 -1.26 -4.69 114.94 121.99 1f6t s ASN 99 Ca -0.13 0.76 0.13 0.00 0.04 0.00 0.00 52.86 53.66 1f6t s ASN 99 Cb 0.28 -2.36 0.91 0.00 -1.54 0.00 0.00 41.25 38.53 1f6t s ASN 99 CO 0.76 -0.43 1.95 -0.65 -3.04 0.00 0.00 177.10 175.70 1f6t h PRO 100 N 7.88 0.08 0.00 0.43 0.11 -1.82 -2.70 132.00 135.98 1f6t h PRO 100 Ca -0.26 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.75 1f6t h PRO 100 Cb 1.11 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1f6t h PRO 100 CO 0.81 0.26 -0.41 -0.07 -0.21 0.00 0.00 178.00 178.37 1f6t h LEU 101 N 0.07 0.00 -2.05 2.35 3.38 -1.78 -2.81 115.31 114.48 1f6t h LEU 101 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1f6t h LEU 101 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1f6t h LEU 101 CO 0.02 0.41 0.00 0.00 0.09 0.00 0.00 178.44 178.97 1f6t n ALA 102 N -2.32 2.43 -2.71 1.53 0.00 -1.04 -4.88 120.51 113.52 1f6t n ALA 102 Ca -0.00 -0.92 -0.39 0.00 0.00 0.00 0.00 53.44 52.12 1f6t n ALA 102 Cb 0.52 -0.94 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 1f6t n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1f6t s SER 103 N -1.34 6.89 0.37 0.00 0.01 -1.06 -4.80 113.70 113.78 1f6t s SER 103 Ca 0.38 1.07 -0.27 0.00 1.31 0.00 0.00 55.95 58.44 1f6t s SER 103 Cb 0.21 -2.38 -0.10 0.00 0.21 0.00 0.00 66.02 63.97 1f6t s SER 103 CO 0.29 -0.11 1.32 0.00 0.41 0.00 0.00 173.24 175.15 1f6t s ALA 104 N 0.89 3.40 0.24 1.44 0.00 -1.26 -4.18 121.76 122.29 1f6t s ALA 104 Ca 0.34 1.28 -0.31 0.00 0.00 0.00 0.00 51.96 53.28 1f6t s ALA 104 Cb -0.17 -3.50 -0.14 0.00 0.00 0.00 0.00 23.12 19.32 1f6t s ALA 104 CO 0.16 -0.77 1.27 -2.30 0.00 0.00 0.00 175.76 174.12 1f6t n PRO 105 N 0.45 1.72 0.00 0.00 -0.02 -1.26 -1.07 135.00 134.82 1f6t n PRO 105 Ca 0.02 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1f6t n PRO 105 Cb 0.42 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1f6t n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1f6t n GLY 106 N 1.83 2.28 3.87 -1.23 0.00 -1.26 -4.98 105.19 105.70 1f6t n GLY 106 Ca 0.11 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1f6t n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f6t s SER 107 N 0.32 5.81 0.06 1.61 1.04 -0.24 -4.86 113.70 117.45 1f6t s SER 107 Ca 0.00 1.32 -0.22 0.00 0.48 0.00 0.00 55.95 57.53 1f6t s SER 107 Cb 0.00 -2.25 -0.13 0.00 0.10 0.00 0.00 66.02 63.74 1f6t s SER 107 CO 0.00 -1.13 1.55 0.40 0.98 0.00 0.00 173.24 175.04 1f6t h ILE 108 N -0.50 1.20 -0.50 -1.02 2.04 -1.05 0.13 117.51 117.81 1f6t h ILE 108 Ca -0.44 -0.62 -0.11 0.00 1.00 0.00 0.00 64.86 64.69 1f6t h ILE 108 Cb 1.22 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 1f6t h ILE 108 CO 0.62 0.18 -0.11 0.03 0.00 0.00 0.00 178.15 178.88 1f6t h ARG 109 N -0.01 0.95 -0.81 2.37 3.08 -1.23 -1.88 114.38 116.85 1f6t h ARG 109 Ca 0.04 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1f6t h ARG 109 Cb 0.26 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 1f6t h ARG 109 CO 0.00 1.02 0.51 0.78 -1.07 0.00 0.00 179.97 181.21 1f6t h GLY 110 N 0.80 1.15 2.00 0.04 0.00 -1.69 -1.43 103.07 103.95 1f6t h GLY 110 Ca 0.13 -0.45 -0.18 0.00 0.00 0.00 0.00 47.33 46.82 1f6t h GLY 110 CO 0.05 0.44 -0.86 -0.55 0.00 0.00 0.00 176.54 175.61 1f6t h ASP 111 N 1.10 0.00 0.00 0.19 3.32 -0.63 -3.42 116.42 116.98 1f6t h ASP 111 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1f6t h ASP 111 Cb -0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1f6t h ASP 111 CO -0.06 0.86 -0.09 0.49 -1.72 0.00 0.00 179.24 178.72 1f6t n PHE 112 N -3.50 0.00 -4.67 4.55 3.72 -0.72 -5.07 117.46 111.78 1f6t n PHE 112 Ca -0.00 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.09 1f6t n PHE 112 Cb 0.83 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.29 1f6t n PHE 112 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1f6t s GLY 113 N -1.06 2.92 0.00 1.37 0.00 -0.55 -5.05 107.32 104.95 1f6t s GLY 113 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 44.72 44.14 1f6t s GLY 113 CO 0.00 -2.04 0.00 -0.62 0.00 0.00 0.00 173.10 170.44 1f6t n VAL 114 N -1.15 0.00 -3.97 1.40 0.31 -1.26 -4.47 118.33 109.19 1f6t n VAL 114 Ca -0.14 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.84 1f6t n VAL 114 Cb 0.66 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.50 1f6t n VAL 114 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1f6t s ASP 115 N -0.88 5.82 0.47 4.52 -1.08 -1.26 -4.33 116.67 119.93 1f6t s ASP 115 Ca 0.00 0.18 0.32 0.00 -0.52 0.00 0.00 52.55 52.53 1f6t s ASP 115 Cb 0.00 -1.95 1.53 0.00 -1.46 0.00 0.00 42.92 41.03 1f6t s ASP 115 CO 0.00 0.24 1.96 0.58 0.52 0.00 0.00 175.17 178.47 1f6t h VAL 116 N 4.61 0.00 0.20 1.11 2.07 -1.97 -2.10 116.25 120.17 1f6t h VAL 116 Ca -0.42 -0.21 -0.31 0.00 0.82 0.00 0.00 66.70 66.58 1f6t h VAL 116 Cb 1.18 1.04 0.02 0.00 -1.52 0.00 0.00 31.29 32.01 1f6t h VAL 116 CO 0.68 0.00 -1.39 1.23 0.02 0.00 0.00 177.57 178.11 1f6t h GLY 117 N 1.15 0.48 -5.19 2.17 0.00 -1.93 -3.35 103.07 96.39 1f6t h GLY 117 Ca 0.00 -1.22 -0.67 0.00 0.00 0.00 0.00 47.33 45.44 1f6t h GLY 117 CO 0.00 1.07 0.02 0.54 0.00 0.00 0.00 176.54 178.17 1f6t n ARG 118 N -3.63 3.65 -0.53 4.80 5.12 -0.82 -4.86 116.66 120.39 1f6t n ARG 118 Ca -0.14 -4.45 -0.10 0.00 -1.93 0.00 0.00 57.85 51.24 1f6t n ARG 118 Cb 1.07 -2.30 0.05 0.00 -1.16 0.00 0.00 32.46 30.13 1f6t n ARG 118 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1f6t n ASN 119 N -0.34 4.08 0.00 0.55 0.23 -1.02 -4.55 115.26 114.21 1f6t n ASN 119 Ca 0.41 -2.66 0.00 0.00 -0.53 0.00 0.00 54.58 51.81 1f6t n ASN 119 Cb 0.41 -0.75 0.00 0.00 -2.08 0.00 0.00 39.78 37.36 1f6t n ASN 119 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1f6t n ILE 120 N 0.12 0.00 -4.01 1.53 5.41 -1.26 -4.79 119.36 116.36 1f6t n ILE 120 Ca 0.21 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.89 1f6t n ILE 120 Cb 0.81 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.65 1f6t n ILE 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 1f6t s ILE 121 N 0.00 0.18 0.01 1.39 2.07 -1.26 -0.85 121.20 122.75 1f6t s ILE 121 Ca 0.00 -1.52 0.06 0.00 -1.41 0.00 0.00 60.65 57.79 1f6t s ILE 121 Cb 0.00 -1.29 -0.02 0.00 0.13 0.00 0.00 42.46 41.28 1f6t s ILE 121 CO 0.00 -0.84 -0.19 -2.28 -1.91 0.00 0.00 174.94 169.72 1f6t s HIS 122 N -3.52 1.70 -0.01 3.50 5.65 -0.20 -4.92 115.29 117.49 1f6t s HIS 122 Ca 0.03 -0.34 -0.00 0.00 0.25 0.00 0.00 55.06 54.99 1f6t s HIS 122 Cb 0.05 -1.06 0.02 0.00 -1.18 0.00 0.00 32.58 30.40 1f6t s HIS 122 CO -0.09 0.03 0.02 0.20 -0.65 0.00 0.00 174.74 174.25 1f6t s GLY 123 N -0.79 0.04 1.02 1.59 0.00 -1.26 -0.89 107.32 107.02 1f6t s GLY 123 Ca 0.07 0.18 -0.21 0.00 0.00 0.00 0.00 44.72 44.76 1f6t s GLY 123 CO 0.00 0.37 -0.75 1.44 0.00 0.00 0.00 173.10 174.16 1f6t n SER 124 N 3.63 -3.57 0.00 1.64 7.64 -0.16 -4.94 113.62 117.86 1f6t n SER 124 Ca -0.20 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.75 1f6t n SER 124 Cb 0.55 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 1f6t n SER 124 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1f6t n ASP 125 N 1.72 0.94 -3.67 6.43 5.75 -1.26 -4.76 116.55 121.69 1f6t n ASP 125 Ca -0.00 -1.05 -0.05 0.00 -0.01 0.00 0.00 54.79 53.68 1f6t n ASP 125 Cb 0.65 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.73 1f6t n ASP 125 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1f6t s SER 126 N -0.05 -0.17 0.21 -1.12 1.04 -1.26 -4.94 113.70 107.40 1f6t s SER 126 Ca 0.00 -0.56 -0.01 0.00 0.48 0.00 0.00 55.95 55.86 1f6t s SER 126 Cb 0.00 0.59 0.16 0.00 0.10 0.00 0.00 66.02 66.88 1f6t s SER 126 CO 0.00 -1.12 1.53 0.58 0.98 0.00 0.00 173.24 175.21 1f6t h VAL 127 N 2.00 1.34 0.01 5.02 2.07 -1.98 0.49 116.25 125.20 1f6t h VAL 127 Ca -0.24 -1.84 -0.00 0.00 0.82 0.00 0.00 66.70 65.44 1f6t h VAL 127 Cb 1.24 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1f6t h VAL 127 CO 0.27 0.56 -0.01 -0.08 0.02 0.00 0.00 177.57 178.34 1f6t h GLU 128 N 0.35 -0.02 -0.32 1.57 4.81 -1.97 0.76 114.58 119.76 1f6t h GLU 128 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1f6t h GLU 128 Cb 1.09 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1f6t h GLU 128 CO 0.10 0.35 -0.03 0.66 -0.73 0.00 0.00 179.01 179.37 1f6t h SER 129 N -0.39 0.47 0.19 1.04 4.64 -1.95 -0.20 113.55 117.35 1f6t h SER 129 Ca -0.00 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 1f6t h SER 129 Cb 0.38 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1f6t h SER 129 CO 0.00 0.56 -0.09 0.00 -0.87 0.00 0.00 176.83 176.43 1f6t h ALA 130 N 1.50 -0.26 -0.86 5.18 0.00 -0.71 0.57 119.26 124.68 1f6t h ALA 130 Ca 0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1f6t h ALA 130 Cb 0.35 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1f6t h ALA 130 CO 0.01 -0.60 0.46 -0.91 0.00 0.00 0.00 179.25 178.21 1f6t h ASN 131 N -0.34 1.08 -0.13 0.00 2.35 -0.43 -0.04 115.58 118.07 1f6t h ASN 131 Ca -0.03 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 1f6t h ASN 131 Cb 0.26 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1f6t h ASN 131 CO 0.04 0.87 0.03 -0.09 -1.65 0.00 0.00 177.43 176.63 1f6t h ARG 132 N 1.20 0.21 -0.37 0.81 2.43 -0.91 -2.27 114.38 115.47 1f6t h ARG 132 Ca 0.30 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.39 1f6t h ARG 132 Cb 0.04 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1f6t h ARG 132 CO -0.05 0.38 0.13 0.93 -1.51 0.00 0.00 179.97 179.85 1f6t h GLU 133 N 0.00 0.57 -0.57 0.20 5.08 -0.59 -2.15 114.58 117.12 1f6t h GLU 133 Ca 0.04 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1f6t h GLU 133 Cb 0.26 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1f6t h GLU 133 CO 0.00 0.56 0.19 0.82 -1.00 0.00 0.00 179.01 179.59 1f6t h ILE 134 N 0.45 1.23 -0.46 3.13 2.04 -1.02 -0.95 117.51 121.94 1f6t h ILE 134 Ca 0.12 -0.77 0.08 0.00 1.00 0.00 0.00 64.86 65.29 1f6t h ILE 134 Cb 0.22 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1f6t h ILE 134 CO -0.01 0.29 0.31 0.00 0.00 0.00 0.00 178.15 178.75 1f6t h ALA 135 N 1.05 2.04 0.15 1.87 0.00 -1.31 -1.68 119.26 121.40 1f6t h ALA 135 Ca 0.18 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.78 1f6t h ALA 135 Cb 0.26 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.01 1f6t h ALA 135 CO -0.01 -0.14 -1.28 1.25 0.00 0.00 0.00 179.25 179.06 1f6t h LEU 136 N 0.30 0.75 0.00 0.00 5.85 -0.55 -3.38 115.31 118.28 1f6t h LEU 136 Ca 0.21 -0.73 -0.25 0.00 0.84 0.00 0.00 57.88 57.94 1f6t h LEU 136 Cb 0.44 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1f6t h LEU 136 CO -0.05 1.55 -1.61 0.79 -0.34 0.00 0.00 178.44 178.79 1f6t n TRP 137 N -3.72 1.00 -5.06 1.25 7.02 -0.48 -4.94 117.44 112.52 1f6t n TRP 137 Ca -0.13 0.36 -0.28 0.00 -1.02 0.00 0.00 57.50 56.42 1f6t n TRP 137 Cb 1.01 -1.16 -0.16 0.00 -2.42 0.00 0.00 31.31 28.59 1f6t n TRP 137 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1f6t s PHE 138 N -2.70 2.02 0.46 -5.99 0.40 -0.66 -5.11 117.98 106.40 1f6t s PHE 138 Ca -0.04 -0.38 -0.19 0.00 -0.60 0.00 0.00 56.93 55.72 1f6t s PHE 138 Cb 0.08 -1.29 -0.10 0.00 0.51 0.00 0.00 43.02 42.23 1f6t s PHE 138 CO 0.82 -0.01 0.96 0.15 0.70 0.00 0.00 175.22 177.84 1f6t s LYS 139 N -0.64 4.12 0.53 0.44 -0.14 -1.26 -4.60 119.74 118.19 1f6t s LYS 139 Ca 0.09 1.04 0.24 0.00 -1.36 0.00 0.00 55.97 55.99 1f6t s LYS 139 Cb -0.09 -2.17 1.39 0.00 -1.68 0.00 0.00 37.83 35.28 1f6t s LYS 139 CO -0.00 -0.12 2.02 -1.35 -0.76 0.00 0.00 175.35 175.14 1f6t h PRO 140 N 1.54 0.00 0.00 -1.68 0.11 -1.95 -0.14 132.00 129.89 1f6t h PRO 140 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1f6t h PRO 140 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1f6t h PRO 140 CO 0.61 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.55 1f6t n GLU 141 N -4.37 0.19 0.01 1.05 0.00 -1.26 -2.62 120.64 113.64 1f6t n GLU 141 Ca 0.08 0.11 0.11 0.00 0.00 0.00 0.00 57.16 57.47 1f6t n GLU 141 Cb 0.54 -1.50 0.12 0.00 0.00 0.00 0.00 31.44 30.60 1f6t n GLU 141 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1f6t n GLU 142 N -1.37 0.05 -4.08 3.44 1.02 -0.07 -4.90 120.64 114.74 1f6t n GLU 142 Ca 0.08 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.86 1f6t n GLU 142 Cb 0.19 -1.52 -0.07 0.00 -0.02 0.00 0.00 31.44 30.02 1f6t n GLU 142 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1f6t s LEU 143 N -3.18 4.06 0.56 -4.62 1.43 -1.08 -4.48 118.68 111.38 1f6t s LEU 143 Ca 0.09 0.34 -0.19 0.00 -1.03 0.00 0.00 54.13 53.34 1f6t s LEU 143 Cb 0.17 -1.97 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 1f6t s LEU 143 CO 0.76 0.39 1.12 -0.76 0.23 0.00 0.00 176.35 178.09 1f6t s LEU 144 N -0.95 3.68 -0.09 1.79 1.43 0.46 -4.99 118.68 120.01 1f6t s LEU 144 Ca 0.14 2.11 -0.03 0.00 -1.03 0.00 0.00 54.13 55.32 1f6t s LEU 144 Cb -0.12 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.49 1f6t s LEU 144 CO 0.03 -1.26 -0.10 0.41 0.23 0.00 0.00 176.35 175.66 1f6t n THR 145 N -1.50 0.47 -2.97 5.49 -1.04 -1.26 -4.89 114.28 108.58 1f6t n THR 145 Ca 0.11 -0.13 -0.44 0.00 -2.04 0.00 0.00 64.05 61.55 1f6t n THR 145 Cb 0.51 -1.43 -0.03 0.00 -1.82 0.00 0.00 70.33 67.57 1f6t n THR 145 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1f6t s GLU 146 N -2.16 3.43 -0.35 -2.82 -6.30 -1.26 -4.98 118.70 104.26 1f6t s GLU 146 Ca -0.12 -1.58 -0.05 0.00 -2.50 0.00 0.00 54.97 50.72 1f6t s GLU 146 Cb 0.04 -4.66 0.06 0.00 0.00 0.00 0.00 34.13 29.58 1f6t s GLU 146 CO 0.16 -1.71 0.12 0.08 0.02 0.00 0.00 175.26 173.92 1f6t s VAL 147 N 2.75 3.49 0.04 3.70 1.01 -1.26 -5.09 120.40 125.05 1f6t s VAL 147 Ca 0.27 -1.45 -0.31 0.00 0.00 0.00 0.00 61.98 60.49 1f6t s VAL 147 Cb -0.10 -3.10 -0.07 0.00 0.00 0.00 0.00 36.38 33.11 1f6t s VAL 147 CO -0.04 -0.32 1.43 -0.54 0.00 0.00 0.00 175.10 175.64 1f6t s LYS 148 N 1.30 4.28 -0.68 2.72 3.01 -1.26 -4.98 119.74 124.14 1f6t s LYS 148 Ca 0.00 2.05 -0.26 0.00 -1.01 0.00 0.00 55.97 56.75 1f6t s LYS 148 Cb -0.21 -3.48 -0.01 0.00 -1.01 0.00 0.00 37.83 33.12 1f6t s LYS 148 CO -0.00 -0.55 1.75 -1.25 0.51 0.00 0.00 175.35 175.80 1f6t s PRO 149 N 2.04 2.75 -0.16 -1.68 0.04 -1.26 -4.96 135.00 131.78 1f6t s PRO 149 Ca 0.65 0.30 -0.41 0.00 0.04 0.00 0.00 61.00 61.58 1f6t s PRO 149 Cb -0.34 -4.45 -0.19 0.00 0.04 0.00 0.00 34.50 29.56 1f6t s PRO 149 CO 0.28 -2.67 1.34 -1.71 0.04 0.00 0.00 177.00 174.28 1f6t n ASN 150 N 12.12 0.87 0.25 6.66 2.85 -1.26 -4.83 115.26 131.93 1f6t n ASN 150 Ca 0.19 1.15 0.13 0.00 -0.11 0.00 0.00 54.58 55.95 1f6t n ASN 150 Cb 0.51 -0.98 0.60 0.00 1.24 0.00 0.00 39.78 41.15 1f6t n ASN 150 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1f6t h PRO 151 N 4.28 0.00 0.00 1.20 0.13 -1.93 -0.28 132.00 135.40 1f6t h PRO 151 Ca -0.48 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.42 1f6t h PRO 151 Cb 1.39 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.48 1f6t h PRO 151 CO 0.80 0.12 -1.21 -0.91 -0.23 0.00 0.00 178.00 176.57 1f6t h ASN 152 N 0.00 0.00 0.11 1.44 2.35 -2.01 -3.38 115.58 114.10 1f6t h ASN 152 Ca -0.00 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.40 1f6t h ASN 152 Cb 0.58 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 1f6t h ASN 152 CO 0.02 0.97 -1.87 -0.07 -1.65 0.00 0.00 177.43 174.83 1f6t h LEU 153 N 0.00 0.38 -9.30 1.61 3.38 -1.90 -3.47 115.31 106.01 1f6t h LEU 153 Ca -0.10 -0.89 -0.67 0.00 0.09 0.00 0.00 57.88 56.31 1f6t h LEU 153 Cb 1.83 -0.12 -0.15 0.00 0.09 0.00 0.00 40.66 42.30 1f6t h LEU 153 CO 0.11 1.80 -0.68 -0.31 0.09 0.00 0.00 178.44 179.46 1f6t s TYR 154 N -2.53 2.96 -2.00 1.13 2.02 -0.13 -5.07 117.35 113.73 1f6t s TYR 154 Ca -0.23 0.00 0.26 0.00 -0.37 0.00 0.00 57.07 56.74 1f6t s TYR 154 Cb 0.06 -1.62 1.56 0.00 -0.40 0.00 0.00 41.96 41.56 1f6t s TYR 154 CO 0.75 0.42 1.91 -1.91 -1.57 0.00 0.00 175.55 175.15