#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 0.00 -0.68 6.55 5.03 -1.26 0.05 115.26 124.94 1f6t n ASN 7 Ca 0.00 0.00 0.13 0.00 0.87 0.00 0.00 54.58 55.58 1f6t n ASN 7 Cb 0.00 0.00 0.25 0.00 -1.02 0.00 0.00 39.78 39.01 1f6t n ASN 7 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1f6t n LYS 8 N -0.87 1.84 -1.65 3.52 4.76 -1.26 -3.22 118.16 121.29 1f6t n LYS 8 Ca 0.00 -1.37 -0.44 0.00 -2.87 0.00 0.00 58.31 53.63 1f6t n LYS 8 Cb 0.00 -1.47 -0.02 0.00 -1.84 0.00 0.00 35.03 31.70 1f6t n LYS 8 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1f6t n GLU 9 N 0.62 1.79 -4.51 1.97 2.13 0.11 -4.60 120.64 118.14 1f6t n GLU 9 Ca 0.15 0.63 -0.25 0.00 0.66 0.00 0.00 57.16 58.35 1f6t n GLU 9 Cb 0.48 -2.17 -0.10 0.00 0.27 0.00 0.00 31.44 29.92 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 -1.26 1.75 0.05 5.31 0.52 -1.26 -0.69 118.95 123.38 1f6t s ARG 10 Ca 0.61 -1.89 -0.06 0.00 -0.52 0.00 0.00 55.73 53.87 1f6t s ARG 10 Cb -0.65 -1.63 -0.01 0.00 0.52 0.00 0.00 34.95 33.17 1f6t s ARG 10 CO 0.57 0.16 0.12 -0.08 0.02 0.00 0.00 175.30 176.09 1f6t s THR 11 N -2.65 0.14 -0.12 0.02 -1.32 -0.19 -4.63 115.64 106.88 1f6t s THR 11 Ca 0.32 -1.15 -0.02 0.00 -1.21 0.00 0.00 61.69 59.63 1f6t s THR 11 Cb 0.01 -1.05 -0.03 0.00 -1.51 0.00 0.00 72.50 69.93 1f6t s THR 11 CO 0.15 -0.63 -0.05 0.12 -2.21 0.00 0.00 174.62 172.00 1f6t s PHE 12 N -2.98 2.99 0.10 9.09 5.36 -1.26 -2.10 117.98 129.18 1f6t s PHE 12 Ca -0.02 -0.21 0.05 0.00 -0.96 0.00 0.00 56.93 55.79 1f6t s PHE 12 Cb 0.01 -1.87 -0.04 0.00 -0.34 0.00 0.00 43.02 40.79 1f6t s PHE 12 CO -0.06 0.09 -0.12 -0.51 -1.46 0.00 0.00 175.22 173.15 1f6t s LEU 13 N -0.05 2.38 -0.20 6.12 1.43 0.66 -1.21 118.68 127.81 1f6t s LEU 13 Ca 0.01 -0.78 -0.11 0.00 -1.03 0.00 0.00 54.13 52.22 1f6t s LEU 13 Cb -0.13 -0.43 0.07 0.00 0.03 0.00 0.00 46.19 45.72 1f6t s LEU 13 CO 0.03 -0.19 0.49 0.00 0.23 0.00 0.00 176.35 176.91 1f6t s ALA 14 N -2.12 -1.30 -0.41 4.21 0.00 -0.47 0.23 121.76 121.90 1f6t s ALA 14 Ca 0.05 1.79 -0.26 0.00 0.00 0.00 0.00 51.96 53.54 1f6t s ALA 14 Cb -0.05 -1.10 0.02 0.00 0.00 0.00 0.00 23.12 22.00 1f6t s ALA 14 CO 0.02 -0.32 0.96 0.08 0.00 0.00 0.00 175.76 176.49 1f6t s VAL 15 N 1.53 4.49 1.14 0.00 1.01 0.35 -0.07 120.40 128.85 1f6t s VAL 15 Ca -0.09 1.06 -0.15 0.00 0.00 0.00 0.00 61.98 62.80 1f6t s VAL 15 Cb -0.08 -4.41 0.26 0.00 0.00 0.00 0.00 36.38 32.16 1f6t s VAL 15 CO -0.15 -0.70 1.06 -0.54 0.00 0.00 0.00 175.10 174.77 1f6t s LYS 16 N 3.71 -0.68 0.34 2.72 1.02 0.17 -2.02 119.74 125.00 1f6t s LYS 16 Ca 0.39 0.47 0.09 0.00 0.02 0.00 0.00 55.97 56.94 1f6t s LYS 16 Cb -0.11 -1.61 0.83 0.00 -0.52 0.00 0.00 37.83 36.42 1f6t s LYS 16 CO 0.23 -3.47 1.82 -1.35 -0.92 0.00 0.00 175.35 171.66 1f6t h PRO 17 N -2.42 0.66 -0.40 -1.68 0.11 -1.86 -0.87 132.00 125.53 1f6t h PRO 17 Ca -0.55 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.38 1f6t h PRO 17 Cb 1.33 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1f6t h PRO 17 CO 0.49 0.44 -0.30 0.38 -0.21 0.00 0.00 178.00 178.80 1f6t h ASP 18 N 0.68 0.92 -0.48 -2.05 2.03 -1.88 0.27 116.42 115.91 1f6t h ASP 18 Ca 0.51 -0.38 -0.04 0.00 -0.73 0.00 0.00 57.03 56.40 1f6t h ASP 18 Cb 0.90 -0.26 -0.02 0.00 -0.83 0.00 0.00 39.33 39.12 1f6t h ASP 18 CO -0.28 1.15 0.17 1.23 -1.03 0.00 0.00 179.24 180.48 1f6t h GLY 19 N 0.88 0.80 0.65 7.15 0.00 -1.42 0.11 103.07 111.24 1f6t h GLY 19 Ca 0.08 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1f6t h GLY 19 CO 0.08 0.43 -0.10 -2.08 0.00 0.00 0.00 176.54 174.87 1f6t h VAL 20 N 0.65 0.87 -0.41 4.60 2.07 -1.11 -0.98 116.25 121.94 1f6t h VAL 20 Ca 0.16 -0.68 0.07 0.00 0.82 0.00 0.00 66.70 67.07 1f6t h VAL 20 Cb 0.25 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1f6t h VAL 20 CO -0.01 0.15 0.28 0.00 0.02 0.00 0.00 177.57 178.01 1f6t h ALA 21 N 0.04 2.06 -0.09 1.67 0.00 -0.33 -1.22 119.26 121.38 1f6t h ALA 21 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1f6t h ALA 21 Cb 0.46 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1f6t h ALA 21 CO 0.05 -0.15 0.00 0.54 0.00 0.00 0.00 179.25 179.69 1f6t n ARG 22 N -4.47 1.38 -2.81 0.00 1.74 0.36 -4.92 116.66 107.94 1f6t n ARG 22 Ca 0.06 -0.57 -0.13 0.00 -0.77 0.00 0.00 57.85 56.44 1f6t n ARG 22 Cb 0.30 -1.32 0.03 0.00 -1.02 0.00 0.00 32.46 30.45 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 0.94 0.04 0.89 -0.13 0.00 -0.46 -4.95 105.19 101.52 1f6t n GLY 23 Ca 0.14 -0.24 0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.56 2.98 -0.09 0.99 4.77 -0.39 -4.69 117.00 118.01 1f6t n LEU 24 Ca -0.04 -1.39 -0.07 0.00 -0.03 0.00 0.00 56.01 54.47 1f6t n LEU 24 Cb 0.56 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1f6t n LEU 24 CO 0.29 0.62 0.90 0.58 -1.33 0.00 0.00 177.39 178.45 1f6t h VAL 25 N 3.62 0.85 -0.30 4.08 2.07 -1.88 -1.42 116.25 123.27 1f6t h VAL 25 Ca 0.00 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 1f6t h VAL 25 Cb 0.83 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1f6t h VAL 25 CO 0.00 0.03 -0.00 1.23 0.02 0.00 0.00 177.57 178.85 1f6t h GLY 26 N 0.17 0.58 0.25 2.17 0.00 -1.97 -1.76 103.07 102.51 1f6t h GLY 26 Ca 0.15 -0.43 0.10 0.00 0.00 0.00 0.00 47.33 47.15 1f6t h GLY 26 CO -0.19 0.40 0.11 -2.09 0.00 0.00 0.00 176.54 174.76 1f6t h GLU 27 N 0.33 0.24 -0.25 4.80 4.57 -1.84 0.20 114.58 122.63 1f6t h GLU 27 Ca 0.09 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.19 1f6t h GLU 27 Cb 0.44 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 1f6t h GLU 27 CO 0.02 0.16 -0.09 0.82 -1.18 0.00 0.00 179.01 178.74 1f6t h ILE 28 N 0.25 1.29 -0.64 2.32 2.04 -1.09 -1.99 117.51 119.69 1f6t h ILE 28 Ca 0.29 -1.13 -0.04 0.00 1.00 0.00 0.00 64.86 64.98 1f6t h ILE 28 Cb 0.41 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 1f6t h ILE 28 CO -0.37 0.35 0.26 0.40 0.00 0.00 0.00 178.15 178.79 1f6t h ILE 29 N 0.23 1.24 -0.89 -0.67 2.04 -0.94 -2.58 117.51 115.94 1f6t h ILE 29 Ca 0.06 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 1f6t h ILE 29 Cb 0.57 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 1f6t h ILE 29 CO 0.03 0.29 0.49 0.00 0.00 0.00 0.00 178.15 178.96 1f6t h ALA 30 N 1.11 1.14 -0.96 1.87 0.00 -0.57 -0.04 119.26 121.82 1f6t h ALA 30 Ca 0.22 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1f6t h ALA 30 Cb 0.20 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 1f6t h ALA 30 CO -0.02 0.65 0.62 0.00 0.00 0.00 0.00 179.25 180.51 1f6t h ARG 31 N 1.25 1.12 0.03 0.00 3.08 -0.95 0.73 114.38 119.64 1f6t h ARG 31 Ca 0.31 -0.07 -0.22 0.00 0.07 0.00 0.00 59.98 60.08 1f6t h ARG 31 Cb 0.03 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 1f6t h ARG 31 CO -0.05 0.74 -0.99 1.88 -1.07 0.00 0.00 179.97 180.48 1f6t h TYR 32 N 1.15 0.38 -0.53 3.04 0.05 -1.26 -2.67 116.97 117.12 1f6t h TYR 32 Ca 0.40 -0.23 -0.06 0.00 0.05 0.00 0.00 58.73 58.90 1f6t h TYR 32 Cb 0.11 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 37.80 1f6t h TYR 32 CO -0.00 1.08 0.11 0.93 -1.05 0.00 0.00 178.16 179.23 1f6t h GLU 33 N 0.11 0.87 -0.23 4.88 5.08 -0.58 -2.54 114.58 122.18 1f6t h GLU 33 Ca -0.07 -0.22 -0.12 0.00 -1.00 0.00 0.00 59.36 57.95 1f6t h GLU 33 Cb 1.65 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 1f6t h GLU 33 CO 0.16 0.84 -0.35 0.87 -1.00 0.00 0.00 179.01 179.52 1f6t h LYS 34 N 0.76 0.49 0.00 2.33 1.57 -0.91 -3.11 116.57 117.70 1f6t h LYS 34 Ca 0.17 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 1f6t h LYS 34 Cb 0.37 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1f6t h LYS 34 CO 0.01 0.78 -0.20 -0.22 -0.57 0.00 0.00 179.45 179.24 1f6t h LYS 35 N 0.41 0.00 0.00 3.15 1.63 -1.33 -3.46 116.57 116.97 1f6t h LYS 35 Ca 0.05 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1f6t h LYS 35 Cb 0.81 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.44 1f6t h LYS 35 CO 0.07 0.20 0.00 0.41 -3.45 0.00 0.00 179.45 176.67 1f6t n GLY 36 N -0.88 1.21 3.78 5.01 0.00 -1.16 -5.11 105.19 108.05 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 3.43 -0.15 1.61 0.08 -0.97 -4.97 117.98 115.00 1f6t s PHE 37 Ca 0.00 1.69 -0.08 0.00 0.12 0.00 0.00 56.93 58.66 1f6t s PHE 37 Cb 0.00 -3.06 -0.04 0.00 -0.57 0.00 0.00 43.02 39.34 1f6t s PHE 37 CO 0.00 -0.33 0.14 0.08 -0.10 0.00 0.00 175.22 175.01 1f6t s VAL 38 N -1.63 5.46 -0.66 -0.44 1.01 -0.93 -4.31 120.40 118.91 1f6t s VAL 38 Ca 0.55 0.21 -0.27 0.00 0.00 0.00 0.00 61.98 62.47 1f6t s VAL 38 Cb -0.21 -3.44 0.03 0.00 0.00 0.00 0.00 36.38 32.77 1f6t s VAL 38 CO 0.27 0.54 1.19 -0.22 0.00 0.00 0.00 175.10 176.88 1f6t s LEU 39 N -0.40 3.45 0.00 3.92 2.96 -1.26 -1.15 118.68 126.19 1f6t s LEU 39 Ca 0.12 -0.28 0.20 0.00 -0.22 0.00 0.00 54.13 53.95 1f6t s LEU 39 Cb -0.12 -2.80 0.32 0.00 0.50 0.00 0.00 46.19 44.09 1f6t s LEU 39 CO 0.01 -1.62 1.27 1.33 -1.32 0.00 0.00 176.35 176.03 1f6t n VAL 40 N 6.44 0.39 -3.64 1.68 0.24 -0.13 -4.94 118.33 118.36 1f6t n VAL 40 Ca 0.04 -0.69 -0.05 0.00 -2.04 0.00 0.00 64.34 61.60 1f6t n VAL 40 Cb 0.49 1.07 -0.07 0.00 -1.47 0.00 0.00 33.84 33.86 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 -1.44 0.01 -0.23 7.63 0.00 -1.17 -1.36 107.32 110.77 1f6t s GLY 41 Ca 0.31 3.03 -0.19 0.00 0.00 0.00 0.00 44.72 47.87 1f6t s GLY 41 CO 0.27 2.18 0.59 -2.27 0.00 0.00 0.00 173.10 173.87 1f6t s LEU 42 N 0.65 -0.37 -0.24 0.66 2.96 -1.26 -1.45 118.68 119.63 1f6t s LEU 42 Ca -0.01 1.22 -0.28 0.00 -0.22 0.00 0.00 54.13 54.84 1f6t s LEU 42 Cb -0.04 2.04 0.16 0.00 0.50 0.00 0.00 46.19 48.85 1f6t s LEU 42 CO -0.11 -0.21 1.21 -1.59 -1.32 0.00 0.00 176.35 174.33 1f6t s LYS 43 N 0.63 0.30 -0.04 1.98 -2.85 -0.80 -5.02 119.74 113.94 1f6t s LYS 43 Ca -0.03 0.13 0.01 0.00 -1.00 0.00 0.00 55.97 55.09 1f6t s LYS 43 Cb -0.05 0.14 -0.03 0.00 -2.06 0.00 0.00 37.83 35.83 1f6t s LYS 43 CO -0.04 -0.08 -0.04 -1.14 0.10 0.00 0.00 175.35 174.15 1f6t s GLN 44 N -0.76 2.75 -0.08 1.78 0.74 -1.26 -0.76 119.66 122.07 1f6t s GLN 44 Ca 0.04 -0.57 -0.30 0.00 0.05 0.00 0.00 55.36 54.58 1f6t s GLN 44 Cb -0.02 -2.62 0.11 0.00 1.10 0.00 0.00 33.01 31.58 1f6t s GLN 44 CO -0.05 0.65 0.92 -0.48 -0.55 0.00 0.00 175.29 175.78 1f6t s LEU 45 N -1.11 -0.39 -0.43 3.68 2.34 -0.15 -4.95 118.68 117.67 1f6t s LEU 45 Ca 0.15 0.24 -0.22 0.00 0.06 0.00 0.00 54.13 54.37 1f6t s LEU 45 Cb -0.11 1.99 0.02 0.00 -0.56 0.00 0.00 46.19 47.53 1f6t s LEU 45 CO 0.05 -0.49 0.71 -0.69 -1.06 0.00 0.00 176.35 174.86 1f6t s VAL 46 N -2.05 4.76 0.23 1.48 1.01 -1.26 -1.03 120.40 123.55 1f6t s VAL 46 Ca 0.01 0.35 -0.31 0.00 0.00 0.00 0.00 61.98 62.02 1f6t s VAL 46 Cb -0.01 -4.24 -0.14 0.00 0.00 0.00 0.00 36.38 32.00 1f6t s VAL 46 CO -0.03 -0.60 1.39 -2.65 0.00 0.00 0.00 175.10 173.22 1f6t n PRO 47 N 6.43 1.97 -2.57 2.72 -0.02 -1.26 -4.99 135.00 137.28 1f6t n PRO 47 Ca 0.00 0.70 -0.33 0.00 -2.02 0.00 0.00 63.50 61.85 1f6t n PRO 47 Cb 0.48 -2.35 -0.05 0.00 -0.02 0.00 0.00 33.50 31.57 1f6t n PRO 47 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1f6t s THR 48 N -0.06 4.28 0.24 3.45 -1.32 -1.26 -4.47 115.64 116.51 1f6t s THR 48 Ca 0.69 1.28 -0.05 0.00 -1.21 0.00 0.00 61.69 62.40 1f6t s THR 48 Cb -0.67 -3.59 0.21 0.00 -1.51 0.00 0.00 72.50 66.94 1f6t s THR 48 CO 0.50 -0.44 1.81 0.50 -2.21 0.00 0.00 174.62 174.78 1f6t h LYS 49 N 1.40 0.77 -0.29 7.08 3.64 -1.94 -0.50 116.57 126.74 1f6t h LYS 49 Ca -0.48 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 58.82 1f6t h LYS 49 Cb 1.19 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1f6t h LYS 49 CO 0.60 0.51 0.06 -0.44 -2.27 0.00 0.00 179.45 177.92 1f6t h ASP 50 N 0.80 0.45 0.28 4.20 3.32 -1.98 0.01 116.42 123.50 1f6t h ASP 50 Ca 0.39 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1f6t h ASP 50 Cb 0.34 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 1f6t h ASP 50 CO -0.24 0.57 -0.48 0.25 -1.72 0.00 0.00 179.24 177.62 1f6t h LEU 51 N 0.31 -1.38 -0.68 1.55 5.85 -1.80 0.25 115.31 119.40 1f6t h LEU 51 Ca 0.09 0.13 0.13 0.00 0.84 0.00 0.00 57.88 59.08 1f6t h LEU 51 Cb 0.31 0.49 -0.09 0.00 0.37 0.00 0.00 40.66 41.73 1f6t h LEU 51 CO 0.00 -0.58 0.20 0.00 -0.34 0.00 0.00 178.44 177.72 1f6t h ALA 52 N -0.55 0.88 -0.18 1.25 0.00 -1.02 0.23 119.26 119.86 1f6t h ALA 52 Ca -0.02 0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1f6t h ALA 52 Cb 0.78 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1f6t h ALA 52 CO -0.18 -0.28 -0.45 0.93 0.00 0.00 0.00 179.25 179.27 1f6t h GLU 53 N 0.32 0.46 -0.12 0.00 5.08 -0.38 -1.99 114.58 117.95 1f6t h GLU 53 Ca 0.37 -0.25 -0.14 0.00 -1.00 0.00 0.00 59.36 58.34 1f6t h GLU 53 Cb 0.57 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1f6t h GLU 53 CO -0.42 0.82 -0.54 0.77 -1.00 0.00 0.00 179.01 178.64 1f6t h SER 54 N 0.37 0.38 0.04 1.42 0.02 0.51 -0.36 113.55 115.93 1f6t h SER 54 Ca 0.02 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1f6t h SER 54 Cb 0.94 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1f6t h SER 54 CO 0.08 0.85 -0.02 -0.74 -1.14 0.00 0.00 176.83 175.86 1f6t h HIS 55 N 0.27 -0.04 -0.46 3.45 -0.00 -0.30 -3.04 115.15 115.02 1f6t h HIS 55 Ca 0.01 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.33 1f6t h HIS 55 Cb 1.04 0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 28.44 1f6t h HIS 55 CO 0.03 0.21 0.05 0.66 -0.00 0.00 0.00 177.93 178.88 1f6t n TYR 56 N -4.99 1.64 -0.23 5.26 4.01 -0.77 -4.59 117.16 117.48 1f6t n TYR 56 Ca -0.08 -0.64 0.31 0.00 -0.16 0.00 0.00 57.90 57.33 1f6t n TYR 56 Cb 0.15 -0.45 0.73 0.00 -0.31 0.00 0.00 39.34 39.47 1f6t n TYR 56 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1f6t h ALA 57 N 3.27 2.93 0.00 -0.72 0.00 -0.93 0.36 119.26 124.16 1f6t h ALA 57 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1f6t h ALA 57 Cb 1.70 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1f6t h ALA 57 CO 0.42 -1.28 0.00 1.05 0.00 0.00 0.00 179.25 179.44 1f6t h GLU 58 N 0.00 0.00 -0.42 0.00 4.11 -1.86 -2.85 114.58 113.55 1f6t h GLU 58 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.91 1f6t h GLU 58 Cb 1.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.24 1f6t h GLU 58 CO -0.01 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.79 1f6t n HIS 59 N -2.73 0.70 0.21 2.06 8.25 0.12 -4.73 115.22 119.10 1f6t n HIS 59 Ca 0.01 -0.56 0.11 0.00 -0.26 0.00 0.00 57.72 57.02 1f6t n HIS 59 Cb 0.26 -0.08 0.60 0.00 1.12 0.00 0.00 29.99 31.89 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 0.00 0.00 -0.41 2.10 -1.48 -0.58 116.57 118.73 1f6t h LYS 60 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1f6t h LYS 60 Cb 0.93 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.26 1f6t h LYS 60 CO 0.05 0.00 -1.79 0.39 -2.00 0.00 0.00 179.45 176.10 1f6t n GLU 61 N -2.36 0.55 -2.11 0.07 -0.58 -1.26 -4.94 120.64 110.01 1f6t n GLU 61 Ca -0.01 -0.16 -0.41 0.00 -0.42 0.00 0.00 57.16 56.16 1f6t n GLU 61 Cb 0.19 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.54 1f6t n GLU 61 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1f6t s ARG 62 N -3.39 4.35 0.23 3.49 1.81 -0.23 -4.93 118.95 120.28 1f6t s ARG 62 Ca -0.05 2.22 -0.07 0.00 -1.72 0.00 0.00 55.73 56.12 1f6t s ARG 62 Cb 0.14 -3.08 0.36 0.00 -0.45 0.00 0.00 34.95 31.92 1f6t s ARG 62 CO 0.89 -0.21 1.74 -1.00 -0.68 0.00 0.00 175.30 176.04 1f6t h PRO 63 N 3.57 0.44 0.00 3.54 0.13 -1.93 -2.16 132.00 135.60 1f6t h PRO 63 Ca -0.49 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1f6t h PRO 63 Cb 1.23 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1f6t h PRO 63 CO 0.67 0.29 0.00 1.97 -0.23 0.00 0.00 178.00 180.70 1f6t n PHE 64 N -4.98 0.24 -0.15 1.56 1.16 -1.26 -3.84 117.46 110.20 1f6t n PHE 64 Ca 0.11 0.11 -0.03 0.00 -1.87 0.00 0.00 57.45 55.77 1f6t n PHE 64 Cb 0.33 -0.67 0.03 0.00 -1.61 0.00 0.00 39.48 37.56 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 -0.23 -0.25 2.97 3.57 -1.61 -0.63 116.94 120.76 1f6t h PHE 65 Ca 0.00 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1f6t h PHE 65 Cb 0.16 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 1f6t h PHE 65 CO 0.00 -0.20 0.02 0.78 -2.23 0.00 0.00 178.31 176.69 1f6t h GLY 66 N 0.01 0.26 1.20 2.40 0.00 -1.81 0.24 103.07 105.37 1f6t h GLY 66 Ca 0.23 0.01 -0.10 0.00 0.00 0.00 0.00 47.33 47.47 1f6t h GLY 66 CO -0.48 -0.03 -0.05 -1.33 0.00 0.00 0.00 176.54 174.64 1f6t h GLY 67 N 0.11 1.03 0.98 4.60 0.00 -1.79 -0.26 103.07 107.74 1f6t h GLY 67 Ca 0.12 -0.77 -0.02 0.00 0.00 0.00 0.00 47.33 46.66 1f6t h GLY 67 CO -0.18 0.70 -0.22 -2.00 0.00 0.00 0.00 176.54 174.85 1f6t h LEU 68 N 0.86 -0.51 -0.92 3.11 5.85 -0.72 -0.36 115.31 122.62 1f6t h LEU 68 Ca 0.15 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.94 1f6t h LEU 68 Cb 0.58 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.68 1f6t h LEU 68 CO 0.04 -0.34 0.58 0.58 -0.34 0.00 0.00 178.44 178.95 1f6t h VAL 69 N -0.63 1.05 -0.58 1.05 2.07 -0.39 -0.24 116.25 118.57 1f6t h VAL 69 Ca -0.06 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1f6t h VAL 69 Cb 0.48 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 1f6t h VAL 69 CO 0.10 0.19 0.30 0.28 0.02 0.00 0.00 177.57 178.46 1f6t h SER 70 N 1.05 0.75 -0.11 0.57 0.02 -0.78 -2.87 113.55 112.18 1f6t h SER 70 Ca 0.40 -0.12 -0.19 0.00 -0.84 0.00 0.00 61.79 61.05 1f6t h SER 70 Cb 0.19 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1f6t h SER 70 CO -0.18 0.66 -0.64 0.15 -1.14 0.00 0.00 176.83 175.68 1f6t h PHE 71 N 0.79 0.94 0.00 3.45 3.57 -0.38 -2.86 116.94 122.45 1f6t h PHE 71 Ca 0.20 -0.37 0.00 0.00 3.53 0.00 0.00 57.97 61.34 1f6t h PHE 71 Cb 0.09 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.67 1f6t h PHE 71 CO -0.01 1.17 0.00 0.97 -2.23 0.00 0.00 178.31 178.21 1f6t h ILE 72 N 0.53 0.00 -0.45 1.41 6.09 -1.00 -1.59 117.51 122.50 1f6t h ILE 72 Ca -0.01 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 63.27 1f6t h ILE 72 Cb 1.23 1.06 0.00 0.00 0.47 0.00 0.00 36.82 39.58 1f6t h ILE 72 CO 0.13 0.00 0.00 0.35 -3.07 0.00 0.00 178.15 175.56 1f6t n THR 73 N -2.77 0.93 1.19 2.19 -2.24 -1.09 -4.23 114.28 108.26 1f6t n THR 73 Ca -0.01 -0.96 0.14 0.00 -2.27 0.00 0.00 64.05 60.95 1f6t n THR 73 Cb 0.17 0.56 0.51 0.00 -2.10 0.00 0.00 70.33 69.47 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 0.90 0.39 -2.40 3.42 3.41 -0.60 -4.78 113.62 113.96 1f6t n SER 74 Ca 0.15 -0.24 -0.01 0.00 -0.26 0.00 0.00 58.87 58.51 1f6t n SER 74 Cb 0.49 -0.09 0.01 0.00 -0.26 0.00 0.00 64.21 64.36 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 1.39 0.80 3.74 5.00 0.00 -1.26 -5.11 105.19 109.76 1f6t n GLY 75 Ca 0.10 -1.04 -0.37 0.00 0.00 0.00 0.00 46.02 44.72 1f6t n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1f6t s PRO 76 N -2.03 2.78 0.02 1.61 0.04 -1.26 -4.22 135.00 131.94 1f6t s PRO 76 Ca 0.14 1.99 0.03 0.00 0.04 0.00 0.00 61.00 63.21 1f6t s PRO 76 Cb -0.01 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.59 1f6t s PRO 76 CO 0.03 -1.40 -0.10 0.08 0.04 0.00 0.00 177.00 175.64 1f6t s VAL 77 N -1.46 0.76 -0.38 -0.36 1.01 -0.19 -3.70 120.40 116.08 1f6t s VAL 77 Ca 0.80 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 62.00 1f6t s VAL 77 Cb -0.35 -0.70 0.08 0.00 0.00 0.00 0.00 36.38 35.41 1f6t s VAL 77 CO 0.38 -0.02 0.15 -0.69 0.00 0.00 0.00 175.10 174.92 1f6t s VAL 78 N -0.69 3.43 0.09 2.92 1.01 -0.86 -0.97 120.40 125.32 1f6t s VAL 78 Ca -0.01 -1.69 -0.18 0.00 0.00 0.00 0.00 61.98 60.10 1f6t s VAL 78 Cb -0.06 -3.17 -0.07 0.00 0.00 0.00 0.00 36.38 33.08 1f6t s VAL 78 CO 0.00 -0.47 0.56 0.00 0.00 0.00 0.00 175.10 175.20 1f6t s ALA 79 N 1.24 3.59 0.15 5.51 0.00 0.06 -0.49 121.76 131.81 1f6t s ALA 79 Ca 0.03 -0.01 -0.17 0.00 0.00 0.00 0.00 51.96 51.81 1f6t s ALA 79 Cb -0.22 -2.60 0.04 0.00 0.00 0.00 0.00 23.12 20.34 1f6t s ALA 79 CO -0.02 0.41 0.45 0.00 0.00 0.00 0.00 175.76 176.60 1f6t s MET 80 N -1.30 1.16 -0.06 0.00 0.23 0.14 -1.91 119.30 117.56 1f6t s MET 80 Ca 0.31 -0.73 0.01 0.00 -1.03 0.00 0.00 55.69 54.24 1f6t s MET 80 Cb -0.18 0.49 0.02 0.00 -1.53 0.00 0.00 34.83 33.63 1f6t s MET 80 CO 0.19 -0.47 -0.07 0.54 -2.03 0.00 0.00 175.02 173.18 1f6t s VAL 81 N -3.82 0.79 0.06 5.16 0.11 -0.53 -0.25 120.40 121.92 1f6t s VAL 81 Ca 0.05 -0.24 0.08 0.00 -2.93 0.00 0.00 61.98 58.93 1f6t s VAL 81 Cb 0.01 -0.78 -0.03 0.00 -1.53 0.00 0.00 36.38 34.04 1f6t s VAL 81 CO -0.10 0.29 -0.19 -0.36 -3.33 0.00 0.00 175.10 171.41 1f6t s PHE 82 N 1.02 2.53 -0.03 1.54 0.08 -0.89 -0.96 117.98 121.27 1f6t s PHE 82 Ca -0.09 -0.27 0.07 0.00 0.12 0.00 0.00 56.93 56.76 1f6t s PHE 82 Cb -0.14 -1.43 -0.02 0.00 -0.57 0.00 0.00 43.02 40.86 1f6t s PHE 82 CO -0.00 0.27 -0.24 -2.00 -0.10 0.00 0.00 175.22 173.15 1f6t s GLU 83 N -1.59 2.18 0.00 0.44 2.12 -0.30 -1.02 118.70 120.53 1f6t s GLU 83 Ca 0.15 -0.88 0.00 0.00 0.36 0.00 0.00 54.97 54.60 1f6t s GLU 83 Cb -0.10 -2.00 0.00 0.00 0.26 0.00 0.00 34.13 32.29 1f6t s GLU 83 CO 0.06 0.47 0.00 0.41 -0.54 0.00 0.00 175.26 175.66 1f6t n GLY 84 N 2.67 3.25 3.47 -1.50 0.00 0.14 -2.18 105.19 111.03 1f6t n GLY 84 Ca -0.16 -0.94 -0.57 0.00 0.00 0.00 0.00 46.02 44.35 1f6t n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1f6t n LYS 85 N -1.09 0.65 -1.84 1.61 4.81 -1.23 -0.75 118.16 120.32 1f6t n LYS 85 Ca 0.00 0.20 -0.18 0.00 -0.87 0.00 0.00 58.31 57.46 1f6t n LYS 85 Cb 0.00 -1.98 -0.05 0.00 0.02 0.00 0.00 35.03 33.02 1f6t n LYS 85 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1f6t n GLY 86 N 6.13 0.93 0.34 3.14 0.00 -1.26 -4.89 105.19 109.57 1f6t n GLY 86 Ca 0.42 -0.15 0.19 0.00 0.00 0.00 0.00 46.02 46.47 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 0.00 0.15 -0.01 1.61 3.04 -1.20 -1.56 116.25 118.28 1f6t h VAL 87 Ca -0.39 0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.20 1f6t h VAL 87 Cb 1.23 0.83 0.01 0.00 -2.01 0.00 0.00 31.29 31.35 1f6t h VAL 87 CO 0.52 0.00 -0.37 0.58 -1.01 0.00 0.00 177.57 177.30 1f6t h VAL 88 N 0.00 1.49 0.00 1.51 2.07 -1.84 -2.20 116.25 117.28 1f6t h VAL 88 Ca 0.03 -1.96 -0.17 0.00 0.82 0.00 0.00 66.70 65.41 1f6t h VAL 88 Cb 0.39 2.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.80 1f6t h VAL 88 CO -0.00 0.55 -0.83 0.00 0.02 0.00 0.00 177.57 177.31 1f6t h ALA 89 N 0.30 0.59 -0.04 1.67 0.00 -1.81 -3.11 119.26 116.85 1f6t h ALA 89 Ca -0.04 -0.76 -0.22 0.00 0.00 0.00 0.00 54.91 53.89 1f6t h ALA 89 Cb 1.10 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1f6t h ALA 89 CO 0.07 1.04 -0.87 1.03 0.00 0.00 0.00 179.25 180.52 1f6t h SER 90 N 0.00 0.62 0.05 0.00 0.87 -1.36 -2.23 113.55 111.48 1f6t h SER 90 Ca -0.01 -0.45 -0.08 0.00 -1.23 0.00 0.00 61.79 60.02 1f6t h SER 90 Cb 1.51 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 63.27 1f6t h SER 90 CO 0.11 1.24 -0.23 0.00 -0.53 0.00 0.00 176.83 177.41 1f6t h ALA 91 N 0.74 1.28 -0.39 6.23 0.00 -1.47 -0.00 119.26 125.64 1f6t h ALA 91 Ca -0.07 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 1f6t h ALA 91 Cb 1.49 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1f6t h ALA 91 CO 0.16 0.48 -0.01 0.00 0.00 0.00 0.00 179.25 179.87 1f6t h ARG 92 N 0.29 0.70 -0.64 0.00 2.47 -1.46 -1.55 114.38 114.20 1f6t h ARG 92 Ca 0.05 -0.23 -0.04 0.00 -1.26 0.00 0.00 59.98 58.49 1f6t h ARG 92 Cb 0.57 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.81 1f6t h ARG 92 CO 0.04 0.80 0.23 1.25 0.56 0.00 0.00 179.97 182.86 1f6t h LEU 93 N 0.52 0.90 -0.57 3.04 5.85 -0.89 -2.06 115.31 122.10 1f6t h LEU 93 Ca 0.11 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1f6t h LEU 93 Cb 0.50 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1f6t h LEU 93 CO 0.02 0.84 0.00 0.23 -0.34 0.00 0.00 178.44 179.19 1f6t n MET 94 N -4.40 0.17 -0.03 1.25 2.81 -0.06 -2.92 117.12 113.93 1f6t n MET 94 Ca 0.04 0.39 -0.22 0.00 -1.81 0.00 0.00 57.70 56.10 1f6t n MET 94 Cb 0.19 -1.81 -0.13 0.00 -0.71 0.00 0.00 33.22 30.75 1f6t n MET 94 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1f6t n ILE 95 N -2.13 1.70 0.00 2.02 5.41 -0.61 -1.24 119.36 124.52 1f6t n ILE 95 Ca 0.02 -0.46 0.00 0.00 1.00 0.00 0.00 62.75 63.32 1f6t n ILE 95 Cb 0.23 -1.82 0.00 0.00 -0.71 0.00 0.00 39.64 37.33 1f6t n ILE 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1f6t n GLY 96 N 1.81 0.29 3.42 7.39 0.00 -0.83 -0.92 105.19 116.36 1f6t n GLY 96 Ca -0.33 -1.52 -0.20 0.00 0.00 0.00 0.00 46.02 43.96 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 0.96 0.16 1.61 -7.23 -1.26 -4.72 120.40 109.92 1f6t s VAL 97 Ca 0.00 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.88 1f6t s VAL 97 Cb 0.00 -2.71 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 1f6t s VAL 97 CO 0.00 0.00 1.55 0.74 -0.31 0.00 0.00 175.10 177.08 1f6t h THR 98 N 2.16 0.03 -3.71 5.32 2.02 -1.97 -3.35 112.91 113.40 1f6t h THR 98 Ca -0.40 0.00 -0.56 0.00 0.77 0.00 0.00 66.41 66.22 1f6t h THR 98 Cb 1.25 0.03 -0.07 0.00 -1.74 0.00 0.00 68.15 67.61 1f6t h THR 98 CO 0.66 0.00 0.92 0.21 0.37 0.00 0.00 175.52 177.68 1f6t s ASN 99 N -5.24 6.63 0.49 4.18 3.04 -1.26 -4.73 114.94 118.06 1f6t s ASN 99 Ca -0.14 0.46 0.21 0.00 0.04 0.00 0.00 52.86 53.44 1f6t s ASN 99 Cb 0.12 -2.55 1.27 0.00 -1.54 0.00 0.00 41.25 38.55 1f6t s ASN 99 CO 0.64 -1.25 1.99 -0.65 -3.04 0.00 0.00 177.10 174.78 1f6t h PRO 100 N 9.22 0.14 0.00 0.43 0.11 -1.83 -1.63 132.00 138.44 1f6t h PRO 100 Ca -0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1f6t h PRO 100 Cb 1.06 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1f6t h PRO 100 CO 1.13 0.09 0.00 -0.07 -0.21 0.00 0.00 178.00 178.94 1f6t h LEU 101 N 0.15 0.00 -2.36 2.35 3.38 -1.82 -2.66 115.31 114.35 1f6t h LEU 101 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1f6t h LEU 101 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1f6t h LEU 101 CO -0.04 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.49 1f6t n ALA 102 N -2.06 2.28 -2.51 1.53 0.00 -0.63 -4.97 120.51 114.16 1f6t n ALA 102 Ca -0.00 -0.94 -0.40 0.00 0.00 0.00 0.00 53.44 52.10 1f6t n ALA 102 Cb 0.22 -0.39 -0.05 0.00 0.00 0.00 0.00 19.45 19.24 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 -0.96 7.21 0.61 0.00 0.01 -1.00 -4.81 113.70 114.76 1f6t s SER 103 Ca 0.18 1.45 -0.18 0.00 1.31 0.00 0.00 55.95 58.71 1f6t s SER 103 Cb 0.10 -2.48 -0.03 0.00 0.21 0.00 0.00 66.02 63.83 1f6t s SER 103 CO 0.14 -0.07 1.22 0.00 0.41 0.00 0.00 173.24 174.95 1f6t s ALA 104 N 0.32 2.48 0.46 1.44 0.00 -1.26 -4.19 121.76 121.01 1f6t s ALA 104 Ca 0.41 1.03 -0.25 0.00 0.00 0.00 0.00 51.96 53.15 1f6t s ALA 104 Cb -0.20 -3.47 -0.08 0.00 0.00 0.00 0.00 23.12 19.37 1f6t s ALA 104 CO 0.23 -1.29 1.44 -2.14 0.00 0.00 0.00 175.76 174.00 1f6t s PRO 105 N -3.40 3.63 0.00 0.00 0.02 -1.26 -1.82 135.00 132.17 1f6t s PRO 105 Ca 0.78 2.44 0.00 0.00 0.02 0.00 0.00 61.00 64.24 1f6t s PRO 105 Cb -0.31 -2.63 0.00 0.00 0.02 0.00 0.00 34.50 31.58 1f6t s PRO 105 CO 0.35 -0.87 0.00 0.41 -0.33 0.00 0.00 177.00 176.56 1f6t n GLY 106 N 0.58 2.70 3.95 0.52 0.00 -1.26 -4.97 105.19 106.69 1f6t n GLY 106 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 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 0.13 5.26 0.01 1.61 1.04 -0.76 -4.92 113.70 116.07 1f6t s SER 107 Ca 0.00 0.31 -0.25 0.00 0.48 0.00 0.00 55.95 56.49 1f6t s SER 107 Cb 0.00 -1.19 -0.18 0.00 0.10 0.00 0.00 66.02 64.75 1f6t s SER 107 CO 0.00 -1.21 1.38 0.40 0.98 0.00 0.00 173.24 174.79 1f6t h ILE 108 N -0.14 1.11 -0.17 -1.02 2.04 -1.06 -0.95 117.51 117.32 1f6t h ILE 108 Ca -0.44 -0.71 -0.12 0.00 1.00 0.00 0.00 64.86 64.59 1f6t h ILE 108 Cb 1.29 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 1f6t h ILE 108 CO 0.57 0.18 -0.42 0.03 0.00 0.00 0.00 178.15 178.51 1f6t h ARG 109 N -0.44 0.39 -0.56 2.37 3.08 -1.30 -2.09 114.38 115.83 1f6t h ARG 109 Ca -0.01 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.81 1f6t h ARG 109 Cb 0.37 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1f6t h ARG 109 CO 0.02 0.75 0.25 0.78 -1.07 0.00 0.00 179.97 180.69 1f6t h GLY 110 N 1.16 0.89 2.00 0.04 0.00 -1.70 0.21 103.07 105.66 1f6t h GLY 110 Ca 0.03 -0.46 -0.16 0.00 0.00 0.00 0.00 47.33 46.74 1f6t h GLY 110 CO 0.07 0.44 -0.74 -0.55 0.00 0.00 0.00 176.54 175.76 1f6t h ASP 111 N 0.76 0.00 0.00 0.19 3.32 -1.12 -3.41 116.42 116.17 1f6t h ASP 111 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1f6t h ASP 111 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1f6t h ASP 111 CO -0.02 0.74 0.00 0.49 -1.72 0.00 0.00 179.24 178.73 1f6t n PHE 112 N -3.54 0.00 -4.42 4.55 3.72 -0.79 -5.07 117.46 111.92 1f6t n PHE 112 Ca -0.00 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.15 1f6t n PHE 112 Cb 0.75 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 39.20 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 -0.80 2.06 0.00 1.37 0.00 0.74 -5.02 107.32 105.67 1f6t s GLY 113 Ca 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 44.72 42.75 1f6t s GLY 113 CO 0.00 -1.94 0.00 3.33 0.00 0.00 0.00 173.10 174.49 1f6t n VAL 114 N -0.86 0.00 -4.63 1.40 0.24 -1.26 -4.27 118.33 108.95 1f6t n VAL 114 Ca -0.05 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.02 1f6t n VAL 114 Cb 0.62 1.03 -0.16 0.00 -1.47 0.00 0.00 33.84 33.87 1f6t n VAL 114 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1f6t s ASP 115 N 0.00 1.71 0.22 -1.34 2.15 -1.26 -4.61 116.67 113.54 1f6t s ASP 115 Ca 0.00 -0.27 -0.09 0.00 0.43 0.00 0.00 52.55 52.62 1f6t s ASP 115 Cb 0.00 -0.45 0.20 0.00 -0.30 0.00 0.00 42.92 42.38 1f6t s ASP 115 CO 0.00 0.12 1.87 0.58 -0.17 0.00 0.00 175.17 177.56 1f6t h VAL 116 N 5.28 1.14 0.00 1.11 2.07 -1.96 -0.63 116.25 123.25 1f6t h VAL 116 Ca -0.33 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1f6t h VAL 116 Cb 1.17 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1f6t h VAL 116 CO 0.48 0.18 0.00 0.61 0.02 0.00 0.00 177.57 178.86 1f6t n GLY 117 N -1.31 -1.37 2.62 2.17 0.00 -1.26 -3.25 105.19 102.78 1f6t n GLY 117 Ca 0.08 0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1f6t n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f6t n ARG 118 N -2.06 2.42 -1.07 1.61 5.12 -0.27 -4.90 116.66 117.51 1f6t n ARG 118 Ca 0.04 -4.38 -0.14 0.00 -1.93 0.00 0.00 57.85 51.43 1f6t n ARG 118 Cb 0.29 -2.05 0.22 0.00 -1.16 0.00 0.00 32.46 29.76 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 0.22 3.82 0.00 0.55 0.23 -1.03 -4.19 115.26 114.85 1f6t n ASN 119 Ca 0.29 -3.52 0.00 0.00 -0.53 0.00 0.00 54.58 50.82 1f6t n ASN 119 Cb 0.46 -0.77 0.00 0.00 -2.08 0.00 0.00 39.78 37.39 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 -0.86 0.00 -3.81 1.53 5.41 -1.26 -4.79 119.36 115.59 1f6t n ILE 120 Ca 0.49 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 64.12 1f6t n ILE 120 Cb 1.46 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 40.30 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 0.09 -0.04 1.39 2.07 -1.26 -0.65 121.20 122.79 1f6t s ILE 121 Ca 0.00 -0.71 0.04 0.00 -1.41 0.00 0.00 60.65 58.57 1f6t s ILE 121 Cb 0.00 -0.75 -0.03 0.00 0.13 0.00 0.00 42.46 41.81 1f6t s ILE 121 CO 0.00 -0.39 -0.16 -2.28 -1.91 0.00 0.00 174.94 170.20 1f6t s HIS 122 N -2.02 2.66 -0.03 3.50 5.65 0.90 -4.90 115.29 121.04 1f6t s HIS 122 Ca -0.09 -0.19 0.01 0.00 0.25 0.00 0.00 55.06 55.04 1f6t s HIS 122 Cb -0.03 -1.60 0.01 0.00 -1.18 0.00 0.00 32.58 29.78 1f6t s HIS 122 CO -0.01 0.17 -0.05 0.20 -0.65 0.00 0.00 174.74 174.41 1f6t s GLY 123 N -0.79 0.41 0.45 1.59 0.00 -1.26 -1.37 107.32 106.34 1f6t s GLY 123 Ca 0.12 -0.12 -0.25 0.00 0.00 0.00 0.00 44.72 44.47 1f6t s GLY 123 CO 0.01 0.22 1.25 1.44 0.00 0.00 0.00 173.10 176.01 1f6t n SER 124 N 3.68 2.39 -0.65 1.64 7.64 -0.35 -4.95 113.62 123.02 1f6t n SER 124 Ca -0.22 1.07 0.11 0.00 1.01 0.00 0.00 58.87 60.85 1f6t n SER 124 Cb 0.53 -1.49 0.05 0.00 -1.01 0.00 0.00 64.21 62.28 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 0.02 2.33 -3.54 6.43 5.75 -1.26 -4.80 116.55 121.49 1f6t n ASP 125 Ca 0.08 -1.67 -0.11 0.00 -0.01 0.00 0.00 54.79 53.08 1f6t n ASP 125 Cb 0.41 0.30 -0.03 0.00 -1.03 0.00 0.00 41.12 40.78 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 -2.31 -0.45 0.36 -1.12 1.04 -1.26 -4.91 113.70 105.04 1f6t s SER 126 Ca 0.22 -0.17 0.03 0.00 0.48 0.00 0.00 55.95 56.51 1f6t s SER 126 Cb 0.19 0.59 0.68 0.00 0.10 0.00 0.00 66.02 67.58 1f6t s SER 126 CO 0.48 -1.01 2.00 0.58 0.98 0.00 0.00 173.24 176.27 1f6t h VAL 127 N 2.07 1.12 0.19 5.02 2.07 -1.93 0.29 116.25 125.08 1f6t h VAL 127 Ca -0.32 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1f6t h VAL 127 Cb 1.29 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1f6t h VAL 127 CO 0.37 0.15 -0.09 -0.33 0.02 0.00 0.00 177.57 177.69 1f6t h GLU 128 N 0.82 -0.25 0.00 1.57 3.07 -1.97 -0.19 114.58 117.63 1f6t h GLU 128 Ca 0.26 0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 59.04 1f6t h GLU 128 Cb 0.02 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 1f6t h GLU 128 CO -0.07 -0.07 -0.44 0.66 -1.40 0.00 0.00 179.01 177.69 1f6t h SER 129 N -0.38 0.00 0.36 1.42 4.64 -1.85 -2.14 113.55 115.60 1f6t h SER 129 Ca -0.03 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 1f6t h SER 129 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1f6t h SER 129 CO 0.04 0.44 -0.17 0.00 -0.87 0.00 0.00 176.83 176.27 1f6t h ALA 130 N 1.56 -0.48 -0.96 5.18 0.00 -0.15 0.28 119.26 124.69 1f6t h ALA 130 Ca -0.00 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1f6t h ALA 130 Cb 0.84 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 1f6t h ALA 130 CO 0.06 -0.70 0.63 -0.91 0.00 0.00 0.00 179.25 178.33 1f6t h ASN 131 N -0.62 1.06 0.64 0.00 2.35 -0.96 0.14 115.58 118.19 1f6t h ASN 131 Ca -0.05 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.65 1f6t h ASN 131 Cb 0.45 -0.25 0.01 0.00 0.05 0.00 0.00 38.32 38.58 1f6t h ASN 131 CO 0.08 0.75 -0.31 -0.09 -1.65 0.00 0.00 177.43 176.21 1f6t h ARG 132 N 1.24 -0.83 -0.27 0.81 1.12 -1.20 -2.55 114.38 112.71 1f6t h ARG 132 Ca 0.37 0.06 -0.05 0.00 -1.11 0.00 0.00 59.98 59.24 1f6t h ARG 132 Cb -0.06 0.19 -0.02 0.00 -0.01 0.00 0.00 29.97 30.07 1f6t h ARG 132 CO -0.10 -0.55 -0.05 0.93 -3.11 0.00 0.00 179.97 177.09 1f6t h GLU 133 N -0.86 0.42 -0.15 0.20 5.08 -0.12 -1.99 114.58 117.16 1f6t h GLU 133 Ca -0.09 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1f6t h GLU 133 Cb 0.66 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1f6t h GLU 133 CO 0.14 0.49 -0.01 0.82 -1.00 0.00 0.00 179.01 179.45 1f6t h ILE 134 N 0.40 1.27 -0.82 3.13 2.04 -0.64 -0.98 117.51 121.91 1f6t h ILE 134 Ca 0.08 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 1f6t h ILE 134 Cb 0.35 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 1f6t h ILE 134 CO 0.02 0.26 0.42 0.00 0.00 0.00 0.00 178.15 178.85 1f6t h ALA 135 N 0.74 1.19 -0.41 1.87 0.00 -1.37 0.80 119.26 122.08 1f6t h ALA 135 Ca 0.04 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.86 1f6t h ALA 135 Cb 0.41 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1f6t h ALA 135 CO 0.01 0.63 0.12 1.25 0.00 0.00 0.00 179.25 181.26 1f6t h LEU 136 N 1.16 0.09 0.00 0.00 7.12 -0.98 -3.16 115.31 119.54 1f6t h LEU 136 Ca 0.29 0.06 -0.05 0.00 0.13 0.00 0.00 57.88 58.30 1f6t h LEU 136 Cb 0.08 0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.26 1f6t h LEU 136 CO -0.04 0.08 -1.45 0.79 -0.13 0.00 0.00 178.44 177.69 1f6t n TRP 137 N -5.05 0.63 -4.62 1.25 7.02 -0.41 -4.94 117.44 111.32 1f6t n TRP 137 Ca 0.03 0.19 -0.25 0.00 -1.02 0.00 0.00 57.50 56.45 1f6t n TRP 137 Cb 0.17 -0.85 -0.17 0.00 -2.42 0.00 0.00 31.31 28.05 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 -3.29 1.50 0.83 -5.99 0.40 0.28 -5.09 117.98 106.62 1f6t s PHE 138 Ca -0.04 -0.55 -0.12 0.00 -0.60 0.00 0.00 56.93 55.62 1f6t s PHE 138 Cb 0.11 -1.09 0.09 0.00 0.51 0.00 0.00 43.02 42.63 1f6t s PHE 138 CO 0.83 -0.28 1.13 0.15 0.70 0.00 0.00 175.22 177.76 1f6t s LYS 139 N 0.62 1.80 0.35 0.44 1.02 -1.26 -4.26 119.74 118.45 1f6t s LYS 139 Ca -0.14 0.38 0.06 0.00 0.02 0.00 0.00 55.97 56.29 1f6t s LYS 139 Cb -0.16 -1.91 0.64 0.00 -0.52 0.00 0.00 37.83 35.89 1f6t s LYS 139 CO 0.04 -1.76 1.87 -1.35 -0.92 0.00 0.00 175.35 173.23 1f6t h PRO 140 N -1.18 0.41 0.00 -1.68 0.11 -1.95 -2.98 132.00 124.72 1f6t h PRO 140 Ca -0.48 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.53 1f6t h PRO 140 Cb 1.30 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1f6t h PRO 140 CO 0.62 0.50 0.00 -0.85 -0.21 0.00 0.00 178.00 178.07 1f6t n GLU 141 N -4.26 0.58 0.00 1.05 0.00 -1.26 -2.23 120.64 114.53 1f6t n GLU 141 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 57.16 57.23 1f6t n GLU 141 Cb 0.28 -1.46 -0.04 0.00 0.00 0.00 0.00 31.44 30.21 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 -0.96 2.43 -3.68 3.44 1.02 -1.13 -4.94 120.64 116.82 1f6t n GLU 142 Ca 0.13 -0.29 -0.36 0.00 -0.02 0.00 0.00 57.16 56.61 1f6t n GLU 142 Cb 0.06 -1.14 -0.07 0.00 -0.02 0.00 0.00 31.44 30.27 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 -2.30 4.30 0.47 -4.62 1.43 -0.94 -4.37 118.68 112.65 1f6t s LEU 143 Ca 0.07 0.46 -0.21 0.00 -1.03 0.00 0.00 54.13 53.43 1f6t s LEU 143 Cb 0.10 -2.23 -0.08 0.00 0.03 0.00 0.00 46.19 44.01 1f6t s LEU 143 CO 0.45 0.23 1.06 -0.76 0.23 0.00 0.00 176.35 177.56 1f6t s LEU 144 N -0.13 3.91 -0.06 1.79 1.43 -0.47 -4.94 118.68 120.22 1f6t s LEU 144 Ca 0.14 2.00 0.04 0.00 -1.03 0.00 0.00 54.13 55.29 1f6t s LEU 144 Cb -0.13 -4.46 -0.06 0.00 0.03 0.00 0.00 46.19 41.57 1f6t s LEU 144 CO 0.03 -0.78 0.00 0.35 0.23 0.00 0.00 176.35 176.19 1f6t n THR 145 N -0.78 0.39 -2.46 5.49 -2.24 -1.26 -4.83 114.28 108.58 1f6t n THR 145 Ca 0.09 -0.22 -0.39 0.00 -2.27 0.00 0.00 64.05 61.25 1f6t n THR 145 Cb 0.51 -0.83 -0.02 0.00 -2.10 0.00 0.00 70.33 67.89 1f6t n THR 145 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1f6t s GLU 146 N -2.14 3.61 -0.91 -0.78 1.03 -1.26 -4.87 118.70 113.38 1f6t s GLU 146 Ca -0.04 -1.69 -0.02 0.00 0.03 0.00 0.00 54.97 53.25 1f6t s GLU 146 Cb 0.02 -5.45 0.22 0.00 -0.80 0.00 0.00 34.13 28.12 1f6t s GLU 146 CO 0.22 -2.63 0.81 0.08 -1.33 0.00 0.00 175.26 172.41 1f6t s VAL 147 N 5.83 4.45 -0.27 1.83 1.01 -1.26 -5.04 120.40 126.95 1f6t s VAL 147 Ca 0.56 -3.88 -0.29 0.00 0.00 0.00 0.00 61.98 58.38 1f6t s VAL 147 Cb 0.02 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 1f6t s VAL 147 CO 0.07 -1.10 1.40 -0.54 0.00 0.00 0.00 175.10 174.93 1f6t s LYS 148 N -1.39 3.89 0.81 2.72 1.02 -1.26 -4.98 119.74 120.55 1f6t s LYS 148 Ca 0.28 1.40 -0.14 0.00 0.02 0.00 0.00 55.97 57.53 1f6t s LYS 148 Cb -0.07 -3.92 0.07 0.00 -0.52 0.00 0.00 37.83 33.38 1f6t s LYS 148 CO -0.12 -1.16 1.10 -0.35 -0.92 0.00 0.00 175.35 173.89 1f6t n PRO 149 N 7.40 0.18 -3.45 -1.68 -0.04 -1.26 -4.97 135.00 131.18 1f6t n PRO 149 Ca 0.16 0.13 -0.41 0.00 -0.04 0.00 0.00 63.50 63.34 1f6t n PRO 149 Cb 0.46 -2.35 -0.10 0.00 -0.04 0.00 0.00 33.50 31.47 1f6t n PRO 149 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1f6t s ASN 150 N -2.04 6.13 0.64 3.54 3.84 -1.26 -4.92 114.94 120.86 1f6t s ASN 150 Ca 0.72 -0.40 0.36 0.00 0.21 0.00 0.00 52.86 53.75 1f6t s ASN 150 Cb -0.29 -2.17 1.96 0.00 -0.55 0.00 0.00 41.25 40.20 1f6t s ASN 150 CO 0.52 -0.33 2.10 1.55 -2.79 0.00 0.00 177.10 178.16 1f6t h PRO 151 N 8.51 0.00 0.00 0.43 0.13 -1.94 0.37 132.00 139.50 1f6t h PRO 151 Ca -0.30 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.67 1f6t h PRO 151 Cb 1.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 1f6t h PRO 151 CO 0.68 0.00 -0.76 -0.91 -0.23 0.00 0.00 178.00 176.78 1f6t h ASN 152 N 0.00 0.00 0.00 1.44 2.35 -2.03 -3.36 115.58 113.98 1f6t h ASN 152 Ca 0.00 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.57 1f6t h ASN 152 Cb 0.32 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.65 1f6t h ASN 152 CO 0.00 0.76 -2.07 0.18 -1.65 0.00 0.00 177.43 174.65 1f6t n LEU 153 N -3.31 0.00 -4.22 1.61 4.77 0.98 -4.95 117.00 111.88 1f6t n LEU 153 Ca 0.01 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 1f6t n LEU 153 Cb 0.83 0.25 -0.16 0.00 -2.33 0.00 0.00 43.42 42.01 1f6t n LEU 153 CO 0.44 0.25 -0.53 -0.31 -1.33 0.00 0.00 177.39 175.91 1f6t s TYR 154 N -2.82 2.67 -2.00 -1.77 2.02 0.56 -5.04 117.35 110.97 1f6t s TYR 154 Ca -0.08 -1.14 0.08 0.00 -0.37 0.00 0.00 57.07 55.56 1f6t s TYR 154 Cb 0.08 -1.80 0.50 0.00 -0.40 0.00 0.00 41.96 40.35 1f6t s TYR 154 CO 0.76 -0.49 0.96 -1.91 -1.57 0.00 0.00 175.55 173.29