#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iof s LYS 2 N 0.00 2.53 -0.10 0.03 1.02 -1.26 -1.41 119.74 120.55 1iof s LYS 2 Ca 0.00 -0.74 0.03 0.00 0.02 0.00 0.00 55.97 55.28 1iof s LYS 2 Cb 0.00 -2.49 0.01 0.00 -0.52 0.00 0.00 37.83 34.83 1iof s LYS 2 CO 0.00 0.60 -0.20 0.08 -0.92 0.00 0.00 175.35 174.91 1iof s VAL 3 N -0.99 1.75 -0.15 3.17 1.01 -0.57 -1.62 120.40 123.00 1iof s VAL 3 Ca 0.17 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 61.25 1iof s VAL 3 Cb -0.11 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1iof s VAL 3 CO 0.07 0.49 0.11 -0.22 0.00 0.00 0.00 175.10 175.55 1iof s LEU 4 N 0.59 4.16 -0.12 3.92 0.20 -0.27 -0.66 118.68 126.50 1iof s LEU 4 Ca -0.14 0.31 0.02 0.00 0.69 0.00 0.00 54.13 55.01 1iof s LEU 4 Cb -0.17 -2.03 0.01 0.00 -0.43 0.00 0.00 46.19 43.58 1iof s LEU 4 CO 0.04 0.31 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.54 1iof s VAL 5 N -0.44 1.76 0.33 1.68 1.01 -0.43 -1.11 120.40 123.20 1iof s VAL 5 Ca 0.11 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 61.38 1iof s VAL 5 Cb -0.12 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1iof s VAL 5 CO 0.02 0.49 0.10 0.42 0.00 0.00 0.00 175.10 176.13 1iof s THR 6 N 0.90 3.00 0.29 3.92 -4.23 -0.67 -1.36 115.64 117.48 1iof s THR 6 Ca -0.07 -1.78 -0.05 0.00 -1.18 0.00 0.00 61.69 58.62 1iof s THR 6 Cb -0.15 -2.93 -0.01 0.00 1.34 0.00 0.00 72.50 70.75 1iof s THR 6 CO -0.02 -0.21 0.40 -0.83 -0.54 0.00 0.00 174.62 173.42 1iof s GLY 7 N -3.80 1.25 0.28 3.99 0.00 -0.45 -2.15 107.32 106.45 1iof s GLY 7 Ca 0.36 -1.40 0.12 0.00 0.00 0.00 0.00 44.72 43.80 1iof s GLY 7 CO 0.22 -1.00 -0.17 -1.36 0.00 0.00 0.00 173.10 170.79 1iof s PHE 8 N -3.58 2.36 1.27 1.90 0.40 -1.26 -0.06 117.98 119.01 1iof s PHE 8 Ca 0.30 -0.32 -0.20 0.00 -0.60 0.00 0.00 56.93 56.12 1iof s PHE 8 Cb 0.01 -1.04 0.31 0.00 0.51 0.00 0.00 43.02 42.82 1iof s PHE 8 CO 0.16 0.70 1.04 -1.21 0.70 0.00 0.00 175.22 176.61 1iof s GLU 9 N -3.54 -1.75 -0.10 0.44 2.02 -1.08 -3.01 118.70 111.67 1iof s GLU 9 Ca 0.30 0.09 -0.29 0.00 0.02 0.00 0.00 54.97 55.09 1iof s GLU 9 Cb -0.05 -1.52 -0.07 0.00 0.10 0.00 0.00 34.13 32.59 1iof s GLU 9 CO 0.16 -4.09 2.07 -2.14 0.02 0.00 0.00 175.26 171.27 1iof s PRO 10 N -5.21 3.64 0.89 0.39 0.02 -1.26 -4.74 135.00 128.74 1iof s PRO 10 Ca 0.70 2.28 -0.12 0.00 0.02 0.00 0.00 61.00 63.88 1iof s PRO 10 Cb -0.12 -4.26 0.13 0.00 0.02 0.00 0.00 34.50 30.27 1iof s PRO 10 CO 0.57 -1.52 1.10 -0.06 -0.33 0.00 0.00 177.00 176.76 1iof s PHE 11 N 6.33 2.39 0.07 6.54 0.08 -1.26 -4.90 117.98 127.22 1iof s PHE 11 Ca 0.93 1.17 -0.36 0.00 0.12 0.00 0.00 56.93 58.80 1iof s PHE 11 Cb -0.37 -3.18 -0.15 0.00 -0.57 0.00 0.00 43.02 38.75 1iof s PHE 11 CO 0.38 -2.36 1.52 0.41 -0.10 0.00 0.00 175.22 175.07 1iof n GLY 12 N -1.36 0.86 0.00 4.36 0.00 -1.26 -2.91 105.19 104.89 1iof n GLY 12 Ca 0.07 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.80 1iof n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iof n GLY 13 N 3.20 2.49 3.76 -0.02 0.00 -1.26 -5.04 105.19 108.31 1iof n GLY 13 Ca 0.19 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 1iof n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iof s GLU 14 N 0.00 3.26 0.01 1.61 0.41 -1.14 -4.95 118.70 117.88 1iof s GLU 14 Ca 0.00 2.01 0.22 0.00 -0.41 0.00 0.00 54.97 56.79 1iof s GLU 14 Cb 0.00 -2.21 -0.25 0.00 -1.78 0.00 0.00 34.13 29.89 1iof s GLU 14 CO 0.00 -1.03 0.66 1.17 -0.49 0.00 0.00 175.26 175.58 1iof n LYS 15 N -1.03 0.51 -4.11 1.61 3.00 -1.26 -4.66 118.16 112.21 1iof n LYS 15 Ca 0.10 -0.11 -0.15 0.00 -0.00 0.00 0.00 58.31 58.15 1iof n LYS 15 Cb 0.47 -1.56 -0.13 0.00 0.00 0.00 0.00 35.03 33.81 1iof n LYS 15 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1iof s ILE 16 N -3.38 0.45 -0.24 3.15 2.07 -1.26 -4.86 121.20 117.13 1iof s ILE 16 Ca -0.03 -0.57 0.01 0.00 -1.41 0.00 0.00 60.65 58.65 1iof s ILE 16 Cb 0.14 -0.44 0.06 0.00 0.13 0.00 0.00 42.46 42.35 1iof s ILE 16 CO 0.88 -0.09 -0.06 0.21 -1.91 0.00 0.00 174.94 173.97 1iof s ASN 17 N -0.72 3.91 0.43 4.50 3.84 -1.26 -4.82 114.94 120.82 1iof s ASN 17 Ca -0.03 -1.20 0.29 0.00 0.21 0.00 0.00 52.86 52.13 1iof s ASN 17 Cb -0.05 -1.21 1.56 0.00 -0.55 0.00 0.00 41.25 40.99 1iof s ASN 17 CO 0.00 -0.23 1.89 1.55 -2.79 0.00 0.00 177.10 177.51 1iof h PRO 18 N 7.94 0.00 0.00 0.43 0.13 -1.93 -2.43 132.00 136.14 1iof h PRO 18 Ca -0.18 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.87 1iof h PRO 18 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1iof h PRO 18 CO 0.42 0.00 -0.40 1.79 -0.23 0.00 0.00 178.00 179.57 1iof h THR 19 N 0.00 0.71 -0.79 1.56 1.35 -1.92 -1.45 112.91 112.37 1iof h THR 19 Ca 0.00 -1.95 -0.02 0.00 -0.55 0.00 0.00 66.41 63.90 1iof h THR 19 Cb 0.02 2.31 -0.04 0.00 -1.73 0.00 0.00 68.15 68.72 1iof h THR 19 CO 0.00 0.40 0.43 -0.08 -0.25 0.00 0.00 175.52 176.02 1iof h GLU 20 N 0.00 1.11 -0.23 4.72 4.81 -1.34 -1.74 114.58 121.91 1iof h GLU 20 Ca -0.00 -0.13 -0.17 0.00 -0.13 0.00 0.00 59.36 58.92 1iof h GLU 20 Cb 1.28 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1iof h GLU 20 CO 0.05 0.82 -0.53 0.00 -0.73 0.00 0.00 179.01 178.63 1iof h ARG 21 N 1.10 0.76 -0.94 1.92 3.08 -1.59 -2.50 114.38 116.21 1iof h ARG 21 Ca 0.28 -0.51 0.03 0.00 0.07 0.00 0.00 59.98 59.85 1iof h ARG 21 Cb 0.04 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.11 1iof h ARG 21 CO -0.04 1.14 0.61 0.82 -1.07 0.00 0.00 179.97 181.42 1iof h ILE 22 N 0.49 1.17 -0.27 2.04 2.04 -1.04 -1.05 117.51 120.89 1iof h ILE 22 Ca -0.00 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 1iof h ILE 22 Cb 1.14 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1iof h ILE 22 CO 0.12 0.22 0.08 0.00 0.00 0.00 0.00 178.15 178.56 1iof h ALA 23 N 1.38 0.35 -0.35 1.87 0.00 -1.18 -2.18 119.26 119.15 1iof h ALA 23 Ca 0.37 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1iof h ALA 23 Cb -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1iof h ALA 23 CO -0.12 -0.02 -0.18 0.87 0.00 0.00 0.00 179.25 179.80 1iof h LYS 24 N 0.26 0.65 0.00 0.00 1.57 -1.12 -2.50 116.57 115.44 1iof h LYS 24 Ca 0.09 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1iof h LYS 24 Cb 0.24 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1iof h LYS 24 CO -0.00 0.80 0.00 -0.44 -0.57 0.00 0.00 179.45 179.23 1iof h ASP 25 N 0.58 0.00 -0.01 0.86 3.45 -0.95 -3.03 116.42 117.32 1iof h ASP 25 Ca 0.09 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.55 1iof h ASP 25 Cb 0.64 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.41 1iof h ASP 25 CO 0.04 0.00 -0.62 0.18 -1.57 0.00 0.00 179.24 177.27 1iof n LEU 26 N -2.88 1.66 -4.69 1.55 4.77 -0.84 -4.85 117.00 111.71 1iof n LEU 26 Ca 0.03 -0.68 -0.42 0.00 -0.03 0.00 0.00 56.01 54.91 1iof n LEU 26 Cb 0.41 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 1iof n LEU 26 CO 0.30 0.33 1.15 -0.62 -1.33 0.00 0.00 177.39 177.22 1iof s ASP 27 N -2.57 6.80 0.00 -1.43 3.68 -0.96 -2.42 116.67 119.77 1iof s ASP 27 Ca 0.15 2.21 0.00 0.00 2.13 0.00 0.00 52.55 57.03 1iof s ASP 27 Cb 0.17 -2.56 0.00 0.00 -1.45 0.00 0.00 42.92 39.07 1iof s ASP 27 CO 0.64 -0.74 0.00 0.61 0.13 0.00 0.00 175.17 175.81 1iof n GLY 28 N 3.69 0.93 3.93 2.66 0.00 0.22 -4.91 105.19 111.71 1iof n GLY 28 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 1iof n GLY 28 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1iof s ILE 29 N -3.20 2.13 -0.03 -0.61 -4.36 -1.01 -4.79 121.20 109.32 1iof s ILE 29 Ca 0.00 -0.19 0.01 0.00 -0.26 0.00 0.00 60.65 60.21 1iof s ILE 29 Cb 0.00 -2.94 0.02 0.00 1.25 0.00 0.00 42.46 40.78 1iof s ILE 29 CO 0.00 0.00 -0.05 -0.54 0.24 0.00 0.00 174.94 174.59 1iof s LYS 30 N -5.46 0.80 -0.21 0.37 1.02 -1.26 -1.28 119.74 113.72 1iof s LYS 30 Ca 0.65 -0.16 0.02 0.00 0.02 0.00 0.00 55.97 56.50 1iof s LYS 30 Cb -0.08 -0.79 0.04 0.00 -0.52 0.00 0.00 37.83 36.48 1iof s LYS 30 CO 0.48 -0.01 -0.15 0.42 -0.92 0.00 0.00 175.35 175.17 1iof s ILE 31 N 0.62 1.98 0.00 2.17 1.01 -0.70 -4.91 121.20 121.38 1iof s ILE 31 Ca -0.08 -1.17 0.00 0.00 0.00 0.00 0.00 60.65 59.39 1iof s ILE 31 Cb -0.12 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.40 1iof s ILE 31 CO 0.00 0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.82 1iof n GLY 32 N 4.58 3.27 0.37 6.18 0.00 -1.26 -1.31 105.19 117.02 1iof n GLY 32 Ca -0.17 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 45.88 1iof n GLY 32 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1iof n ASP 33 N 9.33 2.01 -4.61 1.61 5.75 -1.26 -4.97 116.55 124.40 1iof n ASP 33 Ca 0.00 -3.54 -0.34 0.00 -0.01 0.00 0.00 54.79 50.90 1iof n ASP 33 Cb 0.00 -0.49 -0.10 0.00 -1.03 0.00 0.00 41.12 39.50 1iof n ASP 33 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1iof s ALA 34 N -3.08 3.34 0.23 2.12 0.00 -0.43 -4.02 121.76 119.93 1iof s ALA 34 Ca 0.35 -0.75 -0.26 0.00 0.00 0.00 0.00 51.96 51.30 1iof s ALA 34 Cb 0.33 -1.85 -0.09 0.00 0.00 0.00 0.00 23.12 21.51 1iof s ALA 34 CO -0.02 0.19 0.86 -1.14 0.00 0.00 0.00 175.76 175.65 1iof s GLN 35 N 0.34 4.63 -0.09 0.00 -0.44 -0.50 -1.72 119.66 121.87 1iof s GLN 35 Ca 0.02 1.27 0.02 0.00 -2.50 0.00 0.00 55.36 54.16 1iof s GLN 35 Cb -0.13 -3.13 -0.02 0.00 -1.64 0.00 0.00 33.01 28.10 1iof s GLN 35 CO 0.01 0.47 -0.14 0.08 0.50 0.00 0.00 175.29 176.21 1iof s VAL 36 N -1.30 3.00 0.17 1.34 1.01 -0.40 -1.52 120.40 122.70 1iof s VAL 36 Ca 0.41 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.77 1iof s VAL 36 Cb -0.22 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1iof s VAL 36 CO 0.27 0.55 -0.07 -0.36 0.00 0.00 0.00 175.10 175.49 1iof s PHE 37 N -0.10 2.69 -0.04 5.22 0.40 0.17 -0.61 117.98 125.70 1iof s PHE 37 Ca -0.02 -0.20 -0.00 0.00 -0.60 0.00 0.00 56.93 56.11 1iof s PHE 37 Cb -0.14 -1.32 0.03 0.00 0.51 0.00 0.00 43.02 42.10 1iof s PHE 37 CO 0.04 0.50 0.01 0.20 0.70 0.00 0.00 175.22 176.67 1iof s GLY 38 N -2.79 0.28 0.08 4.36 0.00 -1.26 -1.32 107.32 106.67 1iof s GLY 38 Ca 0.25 0.11 0.03 0.00 0.00 0.00 0.00 44.72 45.12 1iof s GLY 38 CO 0.16 0.86 -0.10 0.50 0.00 0.00 0.00 173.10 174.52 1iof s ARG 39 N 1.42 0.74 -0.23 2.90 1.81 -0.47 -4.76 118.95 120.37 1iof s ARG 39 Ca -0.04 -1.02 -0.03 0.00 -1.72 0.00 0.00 55.73 52.91 1iof s ARG 39 Cb -0.13 -0.48 0.00 0.00 -0.45 0.00 0.00 34.95 33.89 1iof s ARG 39 CO -0.03 0.08 -0.04 0.08 -0.68 0.00 0.00 175.30 174.71 1iof s VAL 40 N -2.04 3.27 0.28 3.52 1.01 -1.26 -1.34 120.40 123.85 1iof s VAL 40 Ca 0.00 -0.63 -0.23 0.00 0.00 0.00 0.00 61.98 61.12 1iof s VAL 40 Cb -0.05 -2.53 -0.09 0.00 0.00 0.00 0.00 36.38 33.70 1iof s VAL 40 CO 0.00 0.35 0.84 -0.76 0.00 0.00 0.00 175.10 175.54 1iof s LEU 41 N 1.44 4.32 0.69 3.92 1.43 0.91 -4.91 118.68 126.49 1iof s LEU 41 Ca 0.04 1.63 -0.14 0.00 -1.03 0.00 0.00 54.13 54.63 1iof s LEU 41 Cb -0.15 -3.85 0.02 0.00 0.03 0.00 0.00 46.19 42.24 1iof s LEU 41 CO -0.03 -0.04 1.13 -2.16 0.23 0.00 0.00 176.35 175.48 1iof s PRO 42 N -2.09 2.54 -0.97 1.29 0.04 -1.26 -2.65 135.00 131.90 1iof s PRO 42 Ca 0.48 1.45 -0.01 0.00 0.04 0.00 0.00 61.00 62.96 1iof s PRO 42 Cb -0.17 -1.91 0.32 0.00 0.04 0.00 0.00 34.50 32.77 1iof s PRO 42 CO 0.22 -1.46 1.58 0.28 0.04 0.00 0.00 177.00 177.65 1iof n VAL 43 N -2.66 5.36 -3.74 -0.36 0.31 -1.26 -4.53 118.33 111.44 1iof n VAL 43 Ca 0.11 -5.89 -0.24 0.00 -0.01 0.00 0.00 64.34 58.31 1iof n VAL 43 Cb 0.52 -1.70 -0.17 0.00 -0.91 0.00 0.00 33.84 31.58 1iof n VAL 43 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1iof s VAL 44 N -3.87 0.33 0.43 2.52 1.01 -1.26 -0.17 120.40 119.39 1iof s VAL 44 Ca 0.38 -0.04 -0.26 0.00 0.00 0.00 0.00 61.98 62.06 1iof s VAL 44 Cb 0.16 -0.63 -0.09 0.00 0.00 0.00 0.00 36.38 35.83 1iof s VAL 44 CO -0.06 0.09 1.41 -0.36 0.00 0.00 0.00 175.10 176.17 1iof s PHE 45 N 1.98 2.57 0.00 5.22 0.40 -1.26 -0.67 117.98 126.21 1iof s PHE 45 Ca 0.03 1.28 0.00 0.00 -0.60 0.00 0.00 56.93 57.65 1iof s PHE 45 Cb -0.14 -3.88 0.00 0.00 0.51 0.00 0.00 43.02 39.52 1iof s PHE 45 CO -0.06 -2.74 0.00 0.41 0.70 0.00 0.00 175.22 173.53 1iof n GLY 46 N 0.58 1.97 0.28 4.36 0.00 -1.26 -4.58 105.19 106.55 1iof n GLY 46 Ca 0.04 -0.62 -0.02 0.00 0.00 0.00 0.00 46.02 45.43 1iof n GLY 46 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1iof h LYS 47 N 0.00 0.80 0.00 1.61 1.63 -1.96 0.49 116.57 119.14 1iof h LYS 47 Ca 0.00 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1iof h LYS 47 Cb 0.00 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 31.45 1iof h LYS 47 CO 0.00 0.53 -0.01 0.00 -3.45 0.00 0.00 179.45 176.52 1iof h ALA 48 N 1.34 1.92 -0.05 5.00 0.00 -1.13 -0.90 119.26 125.45 1iof h ALA 48 Ca 0.31 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 1iof h ALA 48 Cb 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1iof h ALA 48 CO -0.15 0.02 -0.27 -0.22 0.00 0.00 0.00 179.25 178.62 1iof h LYS 49 N 0.00 0.28 0.36 0.00 3.64 -1.21 -1.50 116.57 118.13 1iof h LYS 49 Ca -0.00 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1iof h LYS 49 Cb 0.02 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1iof h LYS 49 CO 0.00 0.88 -0.35 1.49 -2.27 0.00 0.00 179.45 179.20 1iof h GLU 50 N -0.26 -0.71 -0.86 1.90 4.81 -0.64 0.18 114.58 119.00 1iof h GLU 50 Ca -0.02 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1iof h GLU 50 Cb 0.94 0.16 -0.05 0.00 0.63 0.00 0.00 28.75 30.43 1iof h GLU 50 CO 0.06 -0.47 0.57 0.28 -0.73 0.00 0.00 179.01 178.71 1iof h VAL 51 N -0.73 1.19 -0.48 0.32 2.07 -1.25 -1.45 116.25 115.91 1iof h VAL 51 Ca -0.02 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 1iof h VAL 51 Cb 0.66 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1iof h VAL 51 CO -0.06 0.21 0.15 0.25 0.02 0.00 0.00 177.57 178.14 1iof h LEU 52 N 1.14 0.70 -0.26 2.57 6.46 -0.86 -1.04 115.31 124.02 1iof h LEU 52 Ca 0.33 -0.21 -0.16 0.00 -0.12 0.00 0.00 57.88 57.72 1iof h LEU 52 Cb -0.08 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 39.66 1iof h LEU 52 CO -0.09 0.72 -0.45 -0.33 -0.62 0.00 0.00 178.44 177.68 1iof h GLU 53 N 0.65 0.76 -0.24 1.25 5.08 -0.52 -0.22 114.58 121.33 1iof h GLU 53 Ca 0.16 -0.47 0.04 0.00 -1.00 0.00 0.00 59.36 58.09 1iof h GLU 53 Cb 0.27 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 1iof h GLU 53 CO -0.01 1.10 -0.03 0.87 -1.00 0.00 0.00 179.01 179.94 1iof h LYS 54 N 0.50 0.04 -0.90 2.33 1.57 -1.24 -0.43 116.57 118.43 1iof h LYS 54 Ca 0.02 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1iof h LYS 54 Cb 1.05 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.30 1iof h LYS 54 CO 0.10 0.03 0.53 1.15 -0.57 0.00 0.00 179.45 180.69 1iof h THR 55 N 0.04 1.25 -0.51 -0.16 2.02 -1.01 0.12 112.91 114.65 1iof h THR 55 Ca 0.11 -0.57 -0.11 0.00 0.77 0.00 0.00 66.41 66.61 1iof h THR 55 Cb 0.16 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.54 1iof h THR 55 CO -0.22 0.27 -0.12 -0.07 0.37 0.00 0.00 175.52 175.75 1iof h LEU 56 N 1.25 0.98 -0.10 2.58 3.38 -0.51 -1.35 115.31 121.54 1iof h LEU 56 Ca 0.32 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1iof h LEU 56 Cb -0.03 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 1iof h LEU 56 CO -0.06 1.10 -0.04 -0.08 0.09 0.00 0.00 178.44 179.44 1iof h GLU 57 N 0.87 0.21 -0.38 1.13 4.57 -0.46 0.80 114.58 121.31 1iof h GLU 57 Ca 0.13 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1iof h GLU 57 Cb 0.67 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.24 1iof h GLU 57 CO 0.05 0.55 0.14 1.49 -1.18 0.00 0.00 179.01 180.07 1iof h GLU 58 N -0.15 0.58 0.00 1.92 4.81 -0.74 -3.30 114.58 117.71 1iof h GLU 58 Ca 0.02 -0.11 -0.18 0.00 -0.13 0.00 0.00 59.36 58.96 1iof h GLU 58 Cb 0.49 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 1iof h GLU 58 CO 0.01 0.56 -1.61 -0.89 -0.73 0.00 0.00 179.01 176.36 1iof n ILE 59 N -4.65 1.11 -4.01 2.32 5.41 -0.51 -5.01 119.36 114.02 1iof n ILE 59 Ca -0.00 -0.70 -0.41 0.00 1.00 0.00 0.00 62.75 62.64 1iof n ILE 59 Cb 0.15 -0.64 0.02 0.00 -0.71 0.00 0.00 39.64 38.46 1iof n ILE 59 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1iof n LYS 60 N -2.81 -0.46 -1.89 0.38 5.02 0.27 -4.90 118.16 113.78 1iof n LYS 60 Ca -0.13 0.13 -0.34 0.00 -2.02 0.00 0.00 58.31 55.96 1iof n LYS 60 Cb 0.86 -2.16 0.04 0.00 -0.02 0.00 0.00 35.03 33.75 1iof n LYS 60 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1iof s PRO 61 N -6.88 2.90 0.06 1.97 0.02 -1.26 -4.85 135.00 126.96 1iof s PRO 61 Ca 0.38 1.54 0.01 0.00 0.02 0.00 0.00 61.00 62.95 1iof s PRO 61 Cb -0.21 -1.95 -0.26 0.00 0.02 0.00 0.00 34.50 32.10 1iof s PRO 61 CO 0.90 -1.19 1.07 -0.44 -0.33 0.00 0.00 177.00 177.00 1iof h ASP 62 N 0.42 0.26 -3.39 2.53 3.32 -1.65 -3.35 116.42 114.56 1iof h ASP 62 Ca -0.48 -0.31 -0.43 0.00 0.02 0.00 0.00 57.03 55.83 1iof h ASP 62 Cb 1.26 -0.08 -0.35 0.00 0.22 0.00 0.00 39.33 40.38 1iof h ASP 62 CO 0.54 1.25 -0.78 -0.63 -1.72 0.00 0.00 179.24 177.91 1iof s ILE 63 N -2.66 0.58 -0.05 0.35 1.01 -1.19 -0.35 121.20 118.89 1iof s ILE 63 Ca -0.04 -0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.57 1iof s ILE 63 Cb 0.08 -0.62 -0.02 0.00 0.01 0.00 0.00 42.46 41.91 1iof s ILE 63 CO 0.85 0.25 -0.23 0.00 0.00 0.00 0.00 174.94 175.81 1iof s ALA 64 N 1.19 2.25 -0.15 9.38 0.00 -0.48 -1.12 121.76 132.84 1iof s ALA 64 Ca -0.07 -1.05 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 1iof s ALA 64 Cb -0.14 -0.71 0.04 0.00 0.00 0.00 0.00 23.12 22.31 1iof s ALA 64 CO -0.01 0.45 -0.05 0.42 0.00 0.00 0.00 175.76 176.57 1iof s ILE 65 N -0.31 1.01 -0.08 0.00 1.01 -0.27 -3.27 121.20 119.28 1iof s ILE 65 Ca 0.01 -0.49 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 1iof s ILE 65 Cb -0.13 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 1iof s ILE 65 CO 0.02 0.18 0.08 -1.00 0.00 0.00 0.00 174.94 174.23 1iof s HIS 66 N 1.69 3.38 -0.01 3.97 3.76 0.01 -1.67 115.29 126.42 1iof s HIS 66 Ca 0.02 0.34 0.04 0.00 -0.15 0.00 0.00 55.06 55.31 1iof s HIS 66 Cb -0.14 -1.85 -0.01 0.00 1.11 0.00 0.00 32.58 31.69 1iof s HIS 66 CO -0.08 0.60 -0.13 0.08 -0.85 0.00 0.00 174.74 174.37 1iof s VAL 67 N -1.01 1.02 0.15 -0.90 1.01 -0.91 -0.36 120.40 119.40 1iof s VAL 67 Ca 0.16 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 1iof s VAL 67 Cb -0.12 -0.86 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 1iof s VAL 67 CO 0.05 0.26 0.24 -0.83 0.00 0.00 0.00 175.10 174.82 1iof s GLY 68 N -0.39 0.50 -0.16 4.51 0.00 0.09 -4.23 107.32 107.65 1iof s GLY 68 Ca 0.05 -0.94 -0.28 0.00 0.00 0.00 0.00 44.72 43.55 1iof s GLY 68 CO -0.00 -0.91 0.96 -2.27 0.00 0.00 0.00 173.10 170.88 1iof s LEU 69 N -2.97 4.18 -0.70 0.66 0.20 -1.26 -0.04 118.68 118.76 1iof s LEU 69 Ca 0.16 1.38 -0.00 0.00 0.69 0.00 0.00 54.13 56.36 1iof s LEU 69 Cb 0.04 -3.45 0.17 0.00 -0.43 0.00 0.00 46.19 42.53 1iof s LEU 69 CO -0.01 -0.49 0.51 0.00 -0.29 0.00 0.00 176.35 176.07 1iof s ALA 70 N 2.38 3.76 -0.26 5.97 0.00 -0.16 -4.83 121.76 128.61 1iof s ALA 70 Ca 0.44 -3.53 -0.41 0.00 0.00 0.00 0.00 51.96 48.47 1iof s ALA 70 Cb -0.17 -2.55 -0.17 0.00 0.00 0.00 0.00 23.12 20.23 1iof s ALA 70 CO 0.13 -2.11 1.65 -2.30 0.00 0.00 0.00 175.76 173.13 1iof n PRO 71 N 2.85 0.94 -0.19 0.00 -0.02 -1.26 -1.03 135.00 136.29 1iof n PRO 71 Ca 0.13 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1iof n PRO 71 Cb 0.36 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1iof n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iof n GLY 72 N 3.87 0.70 3.87 -1.23 0.00 -1.26 -5.01 105.19 106.12 1iof n GLY 72 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 1iof n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iof s ARG 73 N -0.72 3.86 0.00 1.61 0.52 -0.20 -4.68 118.95 119.35 1iof s ARG 73 Ca 0.00 0.44 0.17 0.00 -0.52 0.00 0.00 55.73 55.82 1iof s ARG 73 Cb 0.00 -2.52 0.08 0.00 0.52 0.00 0.00 34.95 33.03 1iof s ARG 73 CO 0.00 0.19 0.99 -1.13 0.02 0.00 0.00 175.30 175.37 1iof n SER 74 N -0.47 2.15 -3.44 0.23 3.41 -1.26 -4.42 113.62 109.82 1iof n SER 74 Ca 0.02 -1.58 -0.13 0.00 -0.26 0.00 0.00 58.87 56.93 1iof n SER 74 Cb 0.53 0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 64.63 1iof n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iof s ALA 75 N -1.67 0.40 0.13 7.33 0.00 -1.26 -4.88 121.76 121.81 1iof s ALA 75 Ca 0.18 -1.30 -0.30 0.00 0.00 0.00 0.00 51.96 50.54 1iof s ALA 75 Cb 0.14 1.10 -0.07 0.00 0.00 0.00 0.00 23.12 24.29 1iof s ALA 75 CO 0.30 -0.82 1.23 0.42 0.00 0.00 0.00 175.76 176.90 1iof s ILE 76 N -3.26 3.70 -0.11 0.00 -1.09 -0.68 -4.23 121.20 115.52 1iof s ILE 76 Ca 0.27 1.31 0.04 0.00 -2.23 0.00 0.00 60.65 60.04 1iof s ILE 76 Cb -0.01 -3.84 0.00 0.00 -1.58 0.00 0.00 42.46 37.04 1iof s ILE 76 CO 0.16 0.15 -0.23 -0.94 -1.23 0.00 0.00 174.94 172.85 1iof s SER 77 N 0.64 3.09 -0.28 3.58 1.04 -0.70 0.08 113.70 121.14 1iof s SER 77 Ca 0.57 -0.57 -0.15 0.00 0.48 0.00 0.00 55.95 56.28 1iof s SER 77 Cb -0.32 -1.42 -0.03 0.00 0.10 0.00 0.00 66.02 64.35 1iof s SER 77 CO 0.33 0.14 0.36 -0.63 0.98 0.00 0.00 173.24 174.42 1iof s ILE 78 N 0.46 5.18 0.05 -1.02 1.01 0.66 -0.91 121.20 126.63 1iof s ILE 78 Ca -0.16 0.45 -0.31 0.00 0.00 0.00 0.00 60.65 60.64 1iof s ILE 78 Cb -0.17 -3.71 -0.06 0.00 0.01 0.00 0.00 42.46 38.53 1iof s ILE 78 CO 0.06 0.12 1.23 -1.61 0.00 0.00 0.00 174.94 174.74 1iof s GLU 79 N 2.05 4.40 -0.04 2.79 0.41 -0.74 -0.81 118.70 126.76 1iof s GLU 79 Ca 0.14 1.80 0.07 0.00 -0.41 0.00 0.00 54.97 56.57 1iof s GLU 79 Cb -0.16 -3.37 -0.24 0.00 -1.78 0.00 0.00 34.13 28.58 1iof s GLU 79 CO 0.10 -0.31 0.68 -0.09 -0.49 0.00 0.00 175.26 175.16 1iof h ARG 80 N 6.92 0.07 -3.65 1.61 2.43 -1.57 -3.42 114.38 116.77 1iof h ARG 80 Ca -0.41 -0.12 -0.24 0.00 -0.81 0.00 0.00 59.98 58.40 1iof h ARG 80 Cb 1.21 0.05 -0.29 0.00 -0.42 0.00 0.00 29.97 30.51 1iof h ARG 80 CO 0.83 0.72 -0.70 0.42 -1.51 0.00 0.00 179.97 179.73 1iof s ILE 81 N -2.60 -0.01 -0.02 1.20 1.01 -1.26 -0.69 121.20 118.83 1iof s ILE 81 Ca -0.08 0.04 0.04 0.00 0.00 0.00 0.00 60.65 60.65 1iof s ILE 81 Cb 0.08 -0.04 -0.03 0.00 0.01 0.00 0.00 42.46 42.47 1iof s ILE 81 CO 0.82 0.02 -0.12 0.00 0.00 0.00 0.00 174.94 175.66 1iof s ALA 82 N 0.20 2.80 0.16 9.38 0.00 -0.36 -4.41 121.76 129.52 1iof s ALA 82 Ca -0.02 -1.02 0.08 0.00 0.00 0.00 0.00 51.96 51.00 1iof s ALA 82 Cb -0.02 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 1iof s ALA 82 CO -0.01 0.58 -0.18 0.14 0.00 0.00 0.00 175.76 176.29 1iof s VAL 83 N -0.87 1.80 -1.51 0.00 -7.23 -1.26 -1.81 120.40 109.52 1iof s VAL 83 Ca 0.14 -1.87 -0.10 0.00 -1.81 0.00 0.00 61.98 58.34 1iof s VAL 83 Cb -0.11 -1.81 -0.00 0.00 0.56 0.00 0.00 36.38 35.02 1iof s VAL 83 CO 0.04 -0.29 2.63 -3.20 -0.31 0.00 0.00 175.10 173.97 1iof n ASN 84 N 0.38 7.48 -3.63 4.85 2.85 0.19 -4.83 115.26 122.55 1iof n ASN 84 Ca -0.14 -2.78 -0.15 0.00 -0.11 0.00 0.00 54.58 51.40 1iof n ASN 84 Cb 0.57 -1.53 -0.07 0.00 1.24 0.00 0.00 39.78 39.99 1iof n ASN 84 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1iof s ALA 85 N 1.50 -1.28 -0.12 5.20 0.00 -1.26 -3.78 121.76 122.02 1iof s ALA 85 Ca 0.60 0.79 0.02 0.00 0.00 0.00 0.00 51.96 53.37 1iof s ALA 85 Cb 0.17 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.38 1iof s ALA 85 CO -0.07 -0.34 -0.20 0.42 0.00 0.00 0.00 175.76 175.57 1iof s ILE 86 N -1.42 1.85 -0.44 0.00 1.01 0.17 -4.79 121.20 117.58 1iof s ILE 86 Ca -0.11 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 59.73 1iof s ILE 86 Cb -0.02 -1.65 0.19 0.00 0.01 0.00 0.00 42.46 40.99 1iof s ILE 86 CO 0.06 0.51 0.49 -0.67 0.00 0.00 0.00 174.94 175.33 1iof n ASP 87 N 4.03 -1.37 -4.68 3.58 4.64 0.15 -1.35 116.55 121.56 1iof n ASP 87 Ca -0.20 -2.60 -0.42 0.00 -1.38 0.00 0.00 54.79 50.19 1iof n ASP 87 Cb 0.52 0.19 -0.03 0.00 -1.04 0.00 0.00 41.12 40.76 1iof n ASP 87 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1iof s ALA 88 N 0.19 3.58 -0.08 -1.67 0.00 0.17 -4.65 121.76 119.30 1iof s ALA 88 Ca 0.32 0.80 -0.25 0.00 0.00 0.00 0.00 51.96 52.83 1iof s ALA 88 Cb 0.05 -3.60 -0.28 0.00 0.00 0.00 0.00 23.12 19.28 1iof s ALA 88 CO -0.15 -0.98 0.87 -0.09 0.00 0.00 0.00 175.76 175.41 1iof h ARG 89 N 8.00 0.18 -6.47 0.00 2.43 -1.90 -3.39 114.38 113.25 1iof h ARG 89 Ca -0.36 -0.29 -0.51 0.00 -0.81 0.00 0.00 59.98 58.01 1iof h ARG 89 Cb 1.17 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1iof h ARG 89 CO 0.91 1.12 -0.18 0.42 -1.51 0.00 0.00 179.97 180.73 1iof s ILE 90 N -2.45 5.07 0.61 1.20 1.01 -1.26 -5.08 121.20 120.30 1iof s ILE 90 Ca -0.16 -0.15 -0.18 0.00 0.00 0.00 0.00 60.65 60.16 1iof s ILE 90 Cb -0.01 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 1iof s ILE 90 CO 0.77 -0.38 1.16 -2.16 0.00 0.00 0.00 174.94 174.33 1iof s PRO 91 N -3.76 2.95 1.03 2.79 0.04 -1.26 -4.71 135.00 132.07 1iof s PRO 91 Ca 0.42 1.64 -0.13 0.00 0.04 0.00 0.00 61.00 62.97 1iof s PRO 91 Cb -0.10 -1.95 0.20 0.00 0.04 0.00 0.00 34.50 32.69 1iof s PRO 91 CO 0.32 -1.18 1.10 0.16 0.04 0.00 0.00 177.00 177.44 1iof s ASP 92 N -1.95 2.41 0.12 6.66 3.84 0.17 -4.76 116.67 123.16 1iof s ASP 92 Ca 0.73 1.07 0.06 0.00 -0.00 0.00 0.00 52.55 54.42 1iof s ASP 92 Cb -0.26 -1.68 0.34 0.00 -1.38 0.00 0.00 42.92 39.94 1iof s ASP 92 CO 0.35 -3.25 1.10 0.59 -0.00 0.00 0.00 175.17 173.95 1iof n ASN 93 N -4.24 0.16 0.01 2.11 5.03 0.77 -0.49 115.26 118.60 1iof n ASN 93 Ca 0.06 0.48 0.12 0.00 0.87 0.00 0.00 54.58 56.11 1iof n ASN 93 Cb 0.58 -0.48 0.14 0.00 -1.02 0.00 0.00 39.78 39.00 1iof n ASN 93 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1iof n GLU 94 N -1.66 0.06 0.00 3.52 -0.58 -1.26 -4.98 120.64 115.73 1iof n GLU 94 Ca -0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1iof n GLU 94 Cb 0.14 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 1iof n GLU 94 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iof n GLY 95 N 1.47 0.75 3.76 0.62 0.00 0.36 -5.08 105.19 107.06 1iof n GLY 95 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1iof n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iof s LYS 96 N -0.79 4.14 -0.17 1.61 -2.85 -1.26 -4.79 119.74 115.64 1iof s LYS 96 Ca 0.00 0.15 -0.02 0.00 -1.00 0.00 0.00 55.97 55.10 1iof s LYS 96 Cb 0.00 -3.38 -0.01 0.00 -2.06 0.00 0.00 37.83 32.38 1iof s LYS 96 CO 0.00 0.34 -0.10 0.21 0.10 0.00 0.00 175.35 175.90 1iof s LYS 97 N 0.13 3.35 -0.25 1.78 2.20 -1.26 -0.65 119.74 125.03 1iof s LYS 97 Ca 0.18 -0.67 -0.04 0.00 -0.36 0.00 0.00 55.97 55.08 1iof s LYS 97 Cb -0.14 -2.78 0.01 0.00 -1.51 0.00 0.00 37.83 33.41 1iof s LYS 97 CO 0.06 0.01 -0.01 0.42 -0.36 0.00 0.00 175.35 175.46 1iof s ILE 98 N 0.90 3.37 -0.27 5.43 1.01 -1.26 -4.96 121.20 125.41 1iof s ILE 98 Ca -0.02 -0.75 -0.10 0.00 0.00 0.00 0.00 60.65 59.77 1iof s ILE 98 Cb -0.15 -2.66 -0.05 0.00 0.01 0.00 0.00 42.46 39.61 1iof s ILE 98 CO 0.00 0.24 0.17 -1.61 0.00 0.00 0.00 174.94 173.74 1iof s GLU 99 N 1.43 3.92 -0.83 2.79 0.41 -1.26 0.41 118.70 125.56 1iof s GLU 99 Ca 0.03 -0.34 -0.02 0.00 -0.41 0.00 0.00 54.97 54.23 1iof s GLU 99 Cb -0.16 -3.60 0.00 0.00 -1.78 0.00 0.00 34.13 28.59 1iof s GLU 99 CO -0.02 -0.16 0.64 -0.25 -0.49 0.00 0.00 175.26 174.98 1iof n ASP 100 N 4.98 -5.63 -4.39 -0.19 8.00 -0.45 -4.96 116.55 113.90 1iof n ASP 100 Ca -0.14 -0.75 -0.29 0.00 0.71 0.00 0.00 54.79 54.32 1iof n ASP 100 Cb 0.52 -2.72 -0.13 0.00 -0.02 0.00 0.00 41.12 38.76 1iof n ASP 100 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1iof s GLU 101 N -4.57 1.55 0.71 -1.24 2.56 -1.09 -4.96 118.70 111.67 1iof s GLU 101 Ca 0.04 -1.26 -0.11 0.00 0.00 0.00 0.00 54.97 53.64 1iof s GLU 101 Cb -0.02 -1.95 0.01 0.00 2.00 0.00 0.00 34.13 34.18 1iof s GLU 101 CO 0.86 0.47 1.07 -1.25 -0.56 0.00 0.00 175.26 175.85 1iof s PRO 102 N -1.84 2.86 -0.15 4.30 0.04 -1.26 -0.65 135.00 138.29 1iof s PRO 102 Ca 0.14 0.79 -0.20 0.00 0.04 0.00 0.00 61.00 61.77 1iof s PRO 102 Cb -0.10 -1.99 -0.17 0.00 0.04 0.00 0.00 34.50 32.27 1iof s PRO 102 CO 0.05 -1.11 0.39 0.82 0.04 0.00 0.00 177.00 177.20 1iof h ILE 103 N -0.72 1.07 -3.47 0.56 2.04 -1.87 -3.44 117.51 111.68 1iof h ILE 103 Ca -0.45 -1.93 -0.59 0.00 1.00 0.00 0.00 64.86 62.89 1iof h ILE 103 Cb 1.22 2.15 -0.39 0.00 -0.74 0.00 0.00 36.82 39.06 1iof h ILE 103 CO 0.59 0.36 -0.77 -0.69 0.00 0.00 0.00 178.15 177.65 1iof s VAL 104 N -2.14 1.30 -0.02 1.67 1.01 -1.26 -5.09 120.40 115.87 1iof s VAL 104 Ca -0.18 -1.28 -0.35 0.00 0.00 0.00 0.00 61.98 60.17 1iof s VAL 104 Cb 0.00 -1.74 -0.13 0.00 0.00 0.00 0.00 36.38 34.51 1iof s VAL 104 CO 0.49 -0.30 1.72 -2.65 0.00 0.00 0.00 175.10 174.36 1iof n PRO 105 N 4.73 1.96 -0.77 2.72 -0.02 -1.26 -0.71 135.00 141.65 1iof n PRO 105 Ca -0.07 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1iof n PRO 105 Cb 0.44 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1iof n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iof n GLY 106 N 3.90 1.33 3.91 -1.23 0.00 -1.26 -5.01 105.19 106.84 1iof n GLY 106 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 1iof n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iof s ALA 107 N -3.63 3.17 0.90 4.61 0.00 0.11 -5.00 121.76 121.91 1iof s ALA 107 Ca 0.00 -0.63 -0.14 0.00 0.00 0.00 0.00 51.96 51.19 1iof s ALA 107 Cb 0.00 -2.72 0.01 0.00 0.00 0.00 0.00 23.12 20.42 1iof s ALA 107 CO 0.00 -0.96 0.42 -2.30 0.00 0.00 0.00 175.76 172.92 1iof n PRO 108 N -2.74 -0.13 -0.09 0.00 -0.02 -1.26 -4.90 135.00 125.85 1iof n PRO 108 Ca 0.06 0.01 -0.12 0.00 -2.02 0.00 0.00 63.50 61.42 1iof n PRO 108 Cb 0.58 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1iof n PRO 108 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1iof h THR 109 N -1.25 1.28 -3.25 3.45 2.02 -1.95 -3.40 112.91 109.81 1iof h THR 109 Ca -0.44 -1.60 -0.08 0.00 0.77 0.00 0.00 66.41 65.06 1iof h THR 109 Cb 1.30 1.46 -0.16 0.00 -1.74 0.00 0.00 68.15 69.01 1iof h THR 109 CO 0.36 0.53 -0.19 0.00 0.37 0.00 0.00 175.52 176.59 1iof s ALA 110 N -4.31 -0.79 -0.06 6.16 0.00 -1.26 0.55 121.76 122.03 1iof s ALA 110 Ca -0.10 0.07 0.04 0.00 0.00 0.00 0.00 51.96 51.97 1iof s ALA 110 Cb 0.11 0.38 -0.00 0.00 0.00 0.00 0.00 23.12 23.61 1iof s ALA 110 CO 0.87 -0.46 -0.20 0.71 0.00 0.00 0.00 175.76 176.69 1iof s TYR 111 N -2.75 2.01 0.37 0.00 1.51 -0.75 -4.98 117.35 112.76 1iof s TYR 111 Ca -0.04 -0.67 -0.26 0.00 -1.01 0.00 0.00 57.07 55.10 1iof s TYR 111 Cb -0.00 -1.36 -0.09 0.00 -0.11 0.00 0.00 41.96 40.40 1iof s TYR 111 CO -0.04 -0.25 1.09 -0.06 -1.11 0.00 0.00 175.55 175.17 1iof s PHE 112 N 0.16 3.30 0.52 2.71 2.99 -1.26 -1.23 117.98 125.17 1iof s PHE 112 Ca -0.09 1.64 -0.23 0.00 0.00 0.00 0.00 56.93 58.26 1iof s PHE 112 Cb -0.14 -3.22 -0.06 0.00 0.00 0.00 0.00 43.02 39.60 1iof s PHE 112 CO 0.04 -0.75 1.35 0.45 -0.00 0.00 0.00 175.22 176.31 1iof s SER 113 N -1.31 5.51 0.00 1.36 0.15 0.13 -4.92 113.70 114.62 1iof s SER 113 Ca 0.54 2.74 0.24 0.00 0.70 0.00 0.00 55.95 60.17 1iof s SER 113 Cb -0.26 -2.64 0.22 0.00 -1.71 0.00 0.00 66.02 61.63 1iof s SER 113 CO 0.33 -1.41 1.27 0.35 1.20 0.00 0.00 173.24 174.99 1iof n THR 114 N -0.79 0.00 -1.72 6.45 -2.24 -0.30 -4.94 114.28 110.74 1iof n THR 114 Ca 0.09 -0.49 -0.34 0.00 -2.27 0.00 0.00 64.05 61.04 1iof n THR 114 Cb 0.45 1.46 0.06 0.00 -2.10 0.00 0.00 70.33 70.19 1iof n THR 114 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1iof s LEU 115 N -2.01 3.42 -1.21 3.22 1.43 -0.95 -4.61 118.68 117.97 1iof s LEU 115 Ca 0.28 2.17 -0.19 0.00 -1.03 0.00 0.00 54.13 55.36 1iof s LEU 115 Cb 0.20 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.83 1iof s LEU 115 CO 0.31 -1.80 1.94 -0.81 0.23 0.00 0.00 176.35 176.22 1iof n PRO 116 N -2.34 2.43 -0.17 1.29 -0.04 -1.26 -4.82 135.00 130.10 1iof n PRO 116 Ca 0.12 -2.66 0.06 0.00 -0.04 0.00 0.00 63.50 60.98 1iof n PRO 116 Cb 0.51 -3.39 0.35 0.00 -0.04 0.00 0.00 33.50 30.93 1iof n PRO 116 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 1iof h ILE 117 N 5.10 1.04 0.00 0.52 3.07 -1.92 -0.62 117.51 124.70 1iof h ILE 117 Ca 0.42 -0.26 -0.13 0.00 1.55 0.00 0.00 64.86 66.44 1iof h ILE 117 Cb 0.79 0.21 -0.02 0.00 -0.27 0.00 0.00 36.82 37.53 1iof h ILE 117 CO 1.61 0.14 -0.64 0.11 -1.05 0.00 0.00 178.15 178.32 1iof h LYS 118 N 0.76 0.00 0.12 0.16 1.79 -1.99 -1.67 116.57 115.75 1iof h LYS 118 Ca 0.30 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.48 1iof h LYS 118 Cb 0.20 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.88 1iof h LYS 118 CO -0.09 0.64 -1.19 0.87 -1.08 0.00 0.00 179.45 178.60 1iof h LYS 119 N 0.00 0.59 -0.31 3.15 1.57 -1.60 -1.68 116.57 118.30 1iof h LYS 119 Ca -0.01 -0.80 0.05 0.00 -1.87 0.00 0.00 60.65 58.03 1iof h LYS 119 Cb 1.28 0.27 -0.05 0.00 0.08 0.00 0.00 32.23 33.81 1iof h LYS 119 CO 0.08 1.36 0.00 0.82 -0.57 0.00 0.00 179.45 181.15 1iof h ILE 120 N 0.21 0.78 -0.13 1.86 2.04 -1.16 -1.77 117.51 119.35 1iof h ILE 120 Ca -0.18 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1iof h ILE 120 Cb 1.88 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 1iof h ILE 120 CO 0.23 0.02 0.07 -0.03 0.00 0.00 0.00 178.15 178.44 1iof h MET 121 N 0.10 0.15 -0.33 2.37 4.05 -1.31 -1.38 114.93 118.58 1iof h MET 121 Ca 0.15 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.57 1iof h MET 121 Cb 0.19 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.94 1iof h MET 121 CO -0.24 0.10 0.22 -0.22 0.23 0.00 0.00 176.91 177.00 1iof h LYS 122 N 0.15 0.40 0.13 0.39 3.11 -0.88 -1.80 116.57 118.08 1iof h LYS 122 Ca 0.05 -0.02 -0.24 0.00 -2.81 0.00 0.00 60.65 57.62 1iof h LYS 122 Cb -0.01 -0.09 0.03 0.00 -1.00 0.00 0.00 32.23 31.16 1iof h LYS 122 CO -0.02 0.27 -1.04 -0.22 -2.81 0.00 0.00 179.45 175.63 1iof h LYS 123 N 0.42 0.47 -0.60 1.90 1.63 -0.83 -1.45 116.57 118.10 1iof h LYS 123 Ca 0.13 -0.68 0.11 0.00 -0.85 0.00 0.00 60.65 59.35 1iof h LYS 123 Cb -0.00 0.24 -0.08 0.00 -0.60 0.00 0.00 32.23 31.78 1iof h LYS 123 CO -0.03 1.30 0.16 -0.07 -3.45 0.00 0.00 179.45 177.37 1iof h LEU 124 N -0.03 0.08 -0.98 5.20 3.38 -1.11 -0.55 115.31 121.30 1iof h LEU 124 Ca -0.17 0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1iof h LEU 124 Cb 1.77 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 42.59 1iof h LEU 124 CO 0.20 0.05 0.65 0.45 0.09 0.00 0.00 178.44 179.88 1iof h HIS 125 N 0.31 1.23 -0.39 1.13 3.86 -1.11 -0.22 115.15 119.96 1iof h HIS 125 Ca 0.31 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.53 1iof h HIS 125 Cb 0.44 -0.42 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 1iof h HIS 125 CO -0.22 0.76 0.15 0.93 0.86 0.00 0.00 177.93 180.42 1iof h GLU 126 N 1.31 0.55 -0.19 2.45 5.08 -0.04 -0.53 114.58 123.21 1iof h GLU 126 Ca 0.37 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1iof h GLU 126 Cb -0.12 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.03 1iof h GLU 126 CO -0.09 0.46 0.00 0.54 -1.00 0.00 0.00 179.01 178.92 1iof n ARG 127 N -4.38 1.32 -2.22 2.33 5.12 -0.54 -4.91 116.66 113.38 1iof n ARG 127 Ca 0.03 -0.46 -0.16 0.00 -1.93 0.00 0.00 57.85 55.33 1iof n ARG 127 Cb 0.14 -1.14 -0.01 0.00 -1.16 0.00 0.00 32.46 30.29 1iof n ARG 127 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1iof n GLY 128 N 0.65 -0.10 3.51 -0.13 0.00 -0.21 -4.99 105.19 103.92 1iof n GLY 128 Ca 0.04 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 1iof n GLY 128 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iof s ILE 129 N -2.77 4.99 0.21 -0.61 1.01 -0.21 -4.99 121.20 118.84 1iof s ILE 129 Ca 0.00 -0.17 -0.31 0.00 0.00 0.00 0.00 60.65 60.16 1iof s ILE 129 Cb 0.00 -3.49 -0.11 0.00 0.01 0.00 0.00 42.46 38.87 1iof s ILE 129 CO 0.00 0.11 1.58 -2.16 0.00 0.00 0.00 174.94 174.48 1iof s PRO 130 N 1.69 4.19 -0.10 2.79 0.04 -1.26 -3.58 135.00 138.77 1iof s PRO 130 Ca 0.06 2.44 -0.20 0.00 0.04 0.00 0.00 61.00 63.34 1iof s PRO 130 Cb -0.17 -3.11 0.05 0.00 0.04 0.00 0.00 34.50 31.31 1iof s PRO 130 CO 0.09 -0.61 0.49 0.00 0.04 0.00 0.00 177.00 177.00 1iof s ALA 131 N 0.76 -1.24 0.26 8.56 0.00 -1.26 -1.69 121.76 127.16 1iof s ALA 131 Ca 0.68 1.05 -0.05 0.00 0.00 0.00 0.00 51.96 53.64 1iof s ALA 131 Cb -0.45 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 1iof s ALA 131 CO 0.36 -0.28 0.35 1.52 0.00 0.00 0.00 175.76 177.71 1iof s TYR 132 N -0.62 0.91 -0.23 0.00 -0.85 0.11 -4.91 117.35 111.76 1iof s TYR 132 Ca -0.07 -1.16 -0.13 0.00 -0.52 0.00 0.00 57.07 55.19 1iof s TYR 132 Cb -0.03 -0.20 -0.04 0.00 0.38 0.00 0.00 41.96 42.07 1iof s TYR 132 CO 0.04 -0.90 0.28 0.42 -1.52 0.00 0.00 175.55 173.87 1iof s ILE 133 N -3.78 5.28 0.06 -3.49 1.01 -1.26 -0.24 121.20 118.77 1iof s ILE 133 Ca 0.31 0.43 -0.03 0.00 0.00 0.00 0.00 60.65 61.37 1iof s ILE 133 Cb 0.02 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.84 1iof s ILE 133 CO 0.14 0.29 0.26 -0.55 0.00 0.00 0.00 174.94 175.08 1iof s SER 134 N 1.12 6.42 0.00 3.58 0.15 0.01 -4.87 113.70 120.11 1iof s SER 134 Ca 0.13 0.41 0.15 0.00 0.70 0.00 0.00 55.95 57.34 1iof s SER 134 Cb -0.14 -2.02 0.41 0.00 -1.71 0.00 0.00 66.02 62.56 1iof s SER 134 CO 0.07 0.17 1.33 0.59 1.20 0.00 0.00 173.24 176.59 1iof n ASN 135 N 0.47 3.24 -3.73 5.45 5.03 -1.26 -1.39 115.26 123.06 1iof n ASN 135 Ca -0.06 -1.97 -0.12 0.00 0.87 0.00 0.00 54.58 53.30 1iof n ASN 135 Cb 0.52 -0.30 -0.11 0.00 -1.02 0.00 0.00 39.78 38.86 1iof n ASN 135 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1iof s SER 136 N -1.03 -0.40 -0.01 6.41 0.15 -1.26 -4.68 113.70 112.88 1iof s SER 136 Ca 0.32 0.75 0.18 0.00 0.70 0.00 0.00 55.95 57.89 1iof s SER 136 Cb 0.17 0.69 0.53 0.00 -1.71 0.00 0.00 66.02 65.69 1iof s SER 136 CO 0.22 -0.16 1.44 0.00 1.20 0.00 0.00 173.24 175.94 1iof n ALA 137 N 3.62 2.34 0.00 5.45 0.00 -1.26 -5.02 120.51 125.65 1iof n ALA 137 Ca -0.19 -1.27 0.00 0.00 0.00 0.00 0.00 53.44 51.98 1iof n ALA 137 Cb 0.56 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.26 1iof n ALA 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iof n GLY 138 N 1.18 -2.06 2.38 0.00 0.00 -1.26 -3.93 105.19 101.49 1iof n GLY 138 Ca 0.20 -1.96 -0.00 0.00 0.00 0.00 0.00 46.02 44.25 1iof n GLY 138 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iof n LEU 139 N 0.00 0.66 0.00 0.99 4.77 -1.26 -4.64 117.00 117.52 1iof n LEU 139 Ca 0.00 -2.76 0.00 0.00 -0.03 0.00 0.00 56.01 53.22 1iof n LEU 139 Cb 0.00 0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1iof n LEU 139 CO 0.00 1.09 0.00 0.00 -1.33 0.00 0.00 177.39 177.15 1iof n TYR 140 N -0.51 0.00 0.12 -1.77 9.36 -1.26 -0.67 117.16 122.43 1iof n TYR 140 Ca -0.01 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.32 1iof n TYR 140 Cb 0.88 0.00 0.61 0.00 -0.63 0.00 0.00 39.34 40.20 1iof n TYR 140 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1iof h LEU 141 N 0.00 0.11 -0.22 2.98 3.38 -1.97 -2.02 115.31 117.56 1iof h LEU 141 Ca 0.00 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1iof h LEU 141 Cb 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1iof h LEU 141 CO 0.00 0.07 0.03 0.00 0.09 0.00 0.00 178.44 178.63 1iof h ASN 143 N 0.17 0.75 -0.28 0.00 -1.24 -1.63 -2.30 115.58 111.05 1iof h ASN 143 Ca 0.07 -0.42 0.06 0.00 0.71 0.00 0.00 56.30 56.72 1iof h ASN 143 Cb 0.34 -0.21 -0.08 0.00 0.73 0.00 0.00 38.32 39.11 1iof h ASN 143 CO 0.01 1.00 -0.39 0.22 -1.29 0.00 0.00 177.43 176.98 1iof h TYR 144 N 0.50 -1.10 0.00 0.67 3.20 -1.16 0.53 116.97 119.61 1iof h TYR 144 Ca 0.07 0.06 -0.09 0.00 3.14 0.00 0.00 58.73 61.90 1iof h TYR 144 Cb 0.73 0.52 -0.01 0.00 1.54 0.00 0.00 36.73 39.51 1iof h TYR 144 CO 0.06 -0.43 -0.45 -0.39 -1.64 0.00 0.00 178.16 175.31 1iof h VAL 145 N -0.37 0.95 -0.21 1.81 -1.51 -1.33 -0.45 116.25 115.14 1iof h VAL 145 Ca 0.12 -1.79 -0.06 0.00 -1.23 0.00 0.00 66.70 63.73 1iof h VAL 145 Cb 0.58 2.09 -0.01 0.00 -2.13 0.00 0.00 31.29 31.82 1iof h VAL 145 CO -0.48 0.44 -0.15 -0.03 -1.23 0.00 0.00 177.57 176.12 1iof h MET 146 N 0.00 0.35 0.01 5.19 1.85 -0.86 -1.48 114.93 120.00 1iof h MET 146 Ca -0.00 -0.10 -0.00 0.00 -0.61 0.00 0.00 59.70 58.99 1iof h MET 146 Cb 1.05 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 33.04 1iof h MET 146 CO 0.06 0.50 -0.00 -0.92 -0.40 0.00 0.00 176.91 176.15 1iof h TYR 147 N 0.33 -0.01 -0.98 1.39 3.20 -0.21 -2.94 116.97 117.74 1iof h TYR 147 Ca 0.06 -0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.13 1iof h TYR 147 Cb 0.46 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 38.64 1iof h TYR 147 CO 0.01 0.74 0.62 -0.07 -1.64 0.00 0.00 178.16 177.82 1iof h LEU 148 N -0.97 0.66 -0.03 2.82 3.38 -1.05 0.63 115.31 120.75 1iof h LEU 148 Ca -0.00 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1iof h LEU 148 Cb 0.76 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1iof h LEU 148 CO 0.00 0.24 -0.03 -1.28 0.09 0.00 0.00 178.44 177.46 1iof h SER 149 N 0.64 0.08 0.87 -0.43 0.87 -1.34 -1.13 113.55 113.11 1iof h SER 149 Ca 0.55 -0.49 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 1iof h SER 149 Cb 1.02 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.95 1iof h SER 149 CO -0.31 0.55 -0.20 -0.07 -0.53 0.00 0.00 176.83 176.27 1iof h LEU 150 N -0.40 0.00 0.07 2.23 3.38 -1.27 -1.05 115.31 118.28 1iof h LEU 150 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iof h LEU 150 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1iof h LEU 150 CO 0.01 0.20 -0.03 -0.74 0.09 0.00 0.00 178.44 177.97 1iof h HIS 151 N 0.00 -0.08 -0.95 1.13 2.76 -0.78 -1.67 115.15 115.56 1iof h HIS 151 Ca -0.00 -0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.31 1iof h HIS 151 Cb 0.69 0.03 -0.09 0.00 1.55 0.00 0.00 27.41 29.59 1iof h HIS 151 CO 0.00 0.34 0.56 1.25 -1.30 0.00 0.00 177.93 178.78 1iof h HIS 152 N -0.53 0.99 -0.39 5.26 6.17 -0.91 -0.32 115.15 125.42 1iof h HIS 152 Ca -0.01 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.09 1iof h HIS 152 Cb 0.46 -0.30 -0.02 0.00 2.52 0.00 0.00 27.41 30.07 1iof h HIS 152 CO 0.07 0.30 0.19 1.03 0.71 0.00 0.00 177.93 180.23 1iof h SER 153 N 0.81 0.51 -0.07 3.26 0.87 -1.03 -0.43 113.55 117.47 1iof h SER 153 Ca 0.51 -0.13 -0.12 0.00 -1.23 0.00 0.00 61.79 60.82 1iof h SER 153 Cb 0.65 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1iof h SER 153 CO -0.33 0.50 -0.35 0.00 -0.53 0.00 0.00 176.83 176.12 1iof h ALA 154 N 1.04 0.92 0.05 6.23 0.00 -0.22 -1.17 119.26 126.11 1iof h ALA 154 Ca 0.13 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1iof h ALA 154 Cb 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1iof h ALA 154 CO -0.02 0.62 -0.02 1.15 0.00 0.00 0.00 179.25 180.98 1iof h THR 155 N 0.47 0.00 -0.01 0.00 2.02 -1.06 -3.39 112.91 110.94 1iof h THR 155 Ca 0.05 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.32 1iof h THR 155 Cb 0.83 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1iof h THR 155 CO 0.07 0.00 -0.36 0.29 0.37 0.00 0.00 175.52 175.89 1iof n LYS 156 N -4.71 0.77 0.00 6.66 4.76 -0.18 -4.97 118.16 120.50 1iof n LYS 156 Ca -0.01 -0.51 0.00 0.00 -2.87 0.00 0.00 58.31 54.93 1iof n LYS 156 Cb 0.03 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.73 1iof n LYS 156 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1iof n GLY 157 N 1.38 3.20 3.15 0.72 0.00 -0.44 -5.00 105.19 108.20 1iof n GLY 157 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 1iof n GLY 157 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1iof s TYR 158 N -1.95 1.02 0.72 1.61 -0.85 -1.26 -4.37 117.35 112.27 1iof s TYR 158 Ca 0.00 -0.59 -0.14 0.00 -0.52 0.00 0.00 57.07 55.83 1iof s TYR 158 Cb 0.00 -0.57 0.04 0.00 0.38 0.00 0.00 41.96 41.81 1iof s TYR 158 CO 0.00 -0.01 1.15 -1.25 -1.52 0.00 0.00 175.55 173.92 1iof s PRO 159 N -2.34 2.32 0.18 -3.49 0.04 -1.26 -3.70 135.00 126.75 1iof s PRO 159 Ca 0.01 1.52 0.10 0.00 0.04 0.00 0.00 61.00 62.66 1iof s PRO 159 Cb -0.06 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.53 1iof s PRO 159 CO 0.01 -1.65 1.36 0.87 0.04 0.00 0.00 177.00 177.62 1iof h LYS 160 N -0.41 0.00 -5.55 4.56 1.57 -0.85 -3.42 116.57 112.47 1iof h LYS 160 Ca -0.46 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 57.71 1iof h LYS 160 Cb 1.26 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.26 1iof h LYS 160 CO 0.51 0.83 -0.85 -1.64 -0.57 0.00 0.00 179.45 177.73 1iof s MET 161 N -2.86 2.01 0.04 3.15 -1.94 -0.81 -4.97 119.30 113.92 1iof s MET 161 Ca 0.02 -0.70 -0.05 0.00 -1.71 0.00 0.00 55.69 53.24 1iof s MET 161 Cb 0.10 -1.74 -0.01 0.00 2.01 0.00 0.00 34.83 35.19 1iof s MET 161 CO 0.79 0.29 0.09 0.45 -0.01 0.00 0.00 175.02 176.63 1iof s SER 162 N -0.05 0.20 0.00 3.03 0.15 -1.26 -1.38 113.70 114.39 1iof s SER 162 Ca -0.03 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.05 1iof s SER 162 Cb -0.12 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 1iof s SER 162 CO 0.02 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.56 1iof n GLY 163 N 0.73 0.38 2.99 9.45 0.00 -1.20 -1.15 105.19 116.39 1iof n GLY 163 Ca -0.19 -0.88 -0.17 0.00 0.00 0.00 0.00 46.02 44.78 1iof n GLY 163 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1iof s PHE 164 N -2.00 0.65 -0.09 1.61 2.19 -1.26 -0.81 117.98 118.27 1iof s PHE 164 Ca 0.00 -0.12 0.02 0.00 0.33 0.00 0.00 56.93 57.16 1iof s PHE 164 Cb 0.00 -0.42 0.01 0.00 -1.31 0.00 0.00 43.02 41.30 1iof s PHE 164 CO 0.00 -0.02 -0.15 0.42 1.83 0.00 0.00 175.22 177.30 1iof s ILE 165 N -0.13 1.45 -0.08 3.12 1.01 0.51 -1.80 121.20 125.28 1iof s ILE 165 Ca 0.02 -0.64 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 1iof s ILE 165 Cb -0.03 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 1iof s ILE 165 CO -0.00 0.43 -0.01 -1.00 0.00 0.00 0.00 174.94 174.35 1iof s HIS 166 N 0.76 3.12 0.06 3.97 3.76 -0.09 -0.73 115.29 126.15 1iof s HIS 166 Ca -0.12 0.16 0.09 0.00 -0.15 0.00 0.00 55.06 55.05 1iof s HIS 166 Cb -0.16 -1.78 -0.03 0.00 1.11 0.00 0.00 32.58 31.72 1iof s HIS 166 CO 0.02 0.44 -0.24 0.14 -0.85 0.00 0.00 174.74 174.26 1iof s VAL 167 N -0.87 2.36 1.40 -0.90 -7.23 0.94 -1.72 120.40 114.38 1iof s VAL 167 Ca 0.13 -1.42 -0.21 0.00 -1.81 0.00 0.00 61.98 58.67 1iof s VAL 167 Cb -0.11 -1.97 0.35 0.00 0.56 0.00 0.00 36.38 35.21 1iof s VAL 167 CO 0.02 0.29 0.86 -2.65 -0.31 0.00 0.00 175.10 173.32 1iof n PRO 168 N 1.50 -4.25 -1.41 4.82 -0.02 -1.26 -0.99 135.00 133.39 1iof n PRO 168 Ca -0.17 -1.25 -0.32 0.00 -2.02 0.00 0.00 63.50 59.74 1iof n PRO 168 Cb 0.52 -1.95 0.08 0.00 -0.02 0.00 0.00 33.50 32.14 1iof n PRO 168 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1iof s TYR 169 N -2.17 2.42 0.19 6.00 2.02 -1.26 -4.68 117.35 119.87 1iof s TYR 169 Ca 0.66 1.59 -0.03 0.00 -0.37 0.00 0.00 57.07 58.92 1iof s TYR 169 Cb -0.15 -3.18 -0.05 0.00 -0.40 0.00 0.00 41.96 38.18 1iof s TYR 169 CO 0.58 -1.97 0.41 0.96 -1.57 0.00 0.00 175.55 173.95 1iof s ILE 170 N -2.54 5.16 0.26 2.71 -4.36 -1.26 -0.72 121.20 120.45 1iof s ILE 170 Ca 0.66 -0.15 -0.02 0.00 -0.26 0.00 0.00 60.65 60.88 1iof s ILE 170 Cb -0.21 -3.69 0.27 0.00 1.25 0.00 0.00 42.46 40.08 1iof s ILE 170 CO 0.49 -0.12 1.68 -0.65 0.24 0.00 0.00 174.94 176.58 1iof h PRO 171 N 2.25 0.27 0.00 0.37 0.11 -1.92 0.56 132.00 133.64 1iof h PRO 171 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1iof h PRO 171 Cb 1.18 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1iof h PRO 171 CO 0.69 0.18 0.07 1.05 -0.21 0.00 0.00 178.00 179.78 1iof h GLU 172 N 0.28 0.00 0.00 1.05 4.11 -1.95 -0.10 114.58 117.98 1iof h GLU 172 Ca 0.48 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.71 1iof h GLU 172 Cb 0.87 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 1iof h GLU 172 CO -0.55 0.00 -1.17 1.96 0.07 0.00 0.00 179.01 179.32 1iof h GLN 173 N 0.00 0.00 0.00 1.06 4.20 -1.27 -3.35 115.11 115.76 1iof h GLN 173 Ca 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1iof h GLN 173 Cb 0.14 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1iof h GLN 173 CO 0.00 0.59 -0.22 0.82 -0.67 0.00 0.00 178.83 179.35 1iof h ILE 174 N 0.00 0.70 0.00 2.54 1.08 -1.08 -3.32 117.51 117.43 1iof h ILE 174 Ca -0.11 -0.94 0.00 0.00 -0.39 0.00 0.00 64.86 63.42 1iof h ILE 174 Cb 1.70 1.59 0.00 0.00 -3.07 0.00 0.00 36.82 37.04 1iof h ILE 174 CO 0.08 0.21 0.00 0.16 -0.69 0.00 0.00 178.15 177.92 1iof h ILE 175 N 0.00 0.00 -0.01 -0.67 -0.00 -1.69 -1.16 117.51 113.99 1iof h ILE 175 Ca -0.00 -0.71 0.00 0.00 -0.00 0.00 0.00 64.86 64.15 1iof h ILE 175 Cb 0.57 1.69 0.00 0.00 -0.00 0.00 0.00 36.82 39.08 1iof h ILE 175 CO 0.03 0.00 -0.41 -0.90 -0.00 0.00 0.00 178.15 176.87 1iof n ASP 176 N -2.94 0.99 0.08 2.16 5.68 -1.25 -3.32 116.55 117.95 1iof n ASP 176 Ca 0.03 -0.79 -0.09 0.00 -0.50 0.00 0.00 54.79 53.44 1iof n ASP 176 Cb 0.41 0.27 -0.09 0.00 -1.14 0.00 0.00 41.12 40.58 1iof n ASP 176 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1iof h LYS 177 N 0.91 0.09 -0.83 0.11 1.79 -1.40 -3.18 116.57 114.06 1iof h LYS 177 Ca 0.00 -0.14 0.13 0.00 -2.18 0.00 0.00 60.65 58.47 1iof h LYS 177 Cb 0.53 0.05 -0.09 0.00 -1.58 0.00 0.00 32.23 31.14 1iof h LYS 177 CO 0.00 1.02 0.43 0.82 -1.08 0.00 0.00 179.45 180.65 1iof h ILE 178 N 0.03 0.77 -0.64 1.86 2.04 -0.87 -0.39 117.51 120.30 1iof h ILE 178 Ca -0.04 -0.22 0.13 0.00 1.00 0.00 0.00 64.86 65.72 1iof h ILE 178 Cb 1.74 0.06 -0.10 0.00 -0.74 0.00 0.00 36.82 37.79 1iof h ILE 178 CO 0.15 0.12 0.12 1.23 0.00 0.00 0.00 178.15 179.77 1iof h GLY 179 N 0.65 0.83 -2.37 5.37 0.00 -1.68 -1.31 103.07 104.56 1iof h GLY 179 Ca 0.44 -0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.68 1iof h GLY 179 CO -0.34 -0.15 0.10 0.28 0.00 0.00 0.00 176.54 176.43 1iof n LYS 180 N -5.16 1.19 -2.61 4.80 4.76 -0.28 -4.74 118.16 116.12 1iof n LYS 180 Ca 0.10 -0.46 -0.19 0.00 -2.87 0.00 0.00 58.31 54.90 1iof n LYS 180 Cb 0.37 -1.18 0.01 0.00 -1.84 0.00 0.00 35.03 32.39 1iof n LYS 180 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1iof n GLY 181 N 0.32 -0.40 3.06 0.72 0.00 -0.50 -5.01 105.19 103.38 1iof n GLY 181 Ca 0.09 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1iof n GLY 181 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1iof s GLN 182 N -5.22 0.22 -0.57 1.61 -0.44 -0.48 -5.00 119.66 109.78 1iof s GLN 182 Ca 0.12 0.20 0.04 0.00 -2.50 0.00 0.00 55.36 53.22 1iof s GLN 182 Cb -0.05 0.10 0.15 0.00 -1.64 0.00 0.00 33.01 31.57 1iof s GLN 182 CO 0.15 -0.03 0.37 0.54 0.50 0.00 0.00 175.29 176.82 1iof s VAL 183 N 0.00 2.21 0.67 1.34 0.11 -1.26 -1.24 120.40 122.23 1iof s VAL 183 Ca -0.01 -3.51 -0.16 0.00 -2.93 0.00 0.00 61.98 55.37 1iof s VAL 183 Cb -0.02 -2.49 0.01 0.00 -1.53 0.00 0.00 36.38 32.35 1iof s VAL 183 CO 0.00 -0.96 1.17 -2.16 -3.33 0.00 0.00 175.10 169.82 1iof s PRO 184 N -0.63 2.57 0.93 1.54 0.04 -1.26 -5.03 135.00 133.16 1iof s PRO 184 Ca 0.23 1.64 -0.11 0.00 0.04 0.00 0.00 61.00 62.79 1iof s PRO 184 Cb -0.13 -1.90 0.11 0.00 0.04 0.00 0.00 34.50 32.63 1iof s PRO 184 CO -0.10 -1.47 0.90 -2.30 0.04 0.00 0.00 177.00 174.07 1iof n PRO 185 N -2.34 -0.40 -3.92 0.56 -0.02 -1.26 -4.95 135.00 122.67 1iof n PRO 185 Ca 0.12 -0.06 -0.09 0.00 -2.02 0.00 0.00 63.50 61.45 1iof n PRO 185 Cb 0.51 -2.21 -0.06 0.00 -0.02 0.00 0.00 33.50 31.72 1iof n PRO 185 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1iof s SER 186 N -2.43 -0.08 -0.00 2.55 1.04 -1.26 -4.18 113.70 109.34 1iof s SER 186 Ca 0.64 -0.79 -0.01 0.00 0.48 0.00 0.00 55.95 56.27 1iof s SER 186 Cb -0.22 0.52 -0.00 0.00 0.10 0.00 0.00 66.02 66.42 1iof s SER 186 CO 0.61 -1.02 0.01 -0.32 0.98 0.00 0.00 173.24 173.50 1iof s MET 187 N -3.96 0.08 0.35 4.02 1.75 0.10 -4.91 119.30 116.73 1iof s MET 187 Ca 0.17 -0.10 -0.25 0.00 -1.25 0.00 0.00 55.69 54.25 1iof s MET 187 Cb 0.01 0.03 -0.10 0.00 2.84 0.00 0.00 34.83 37.61 1iof s MET 187 CO 0.02 -0.01 1.00 0.00 -0.65 0.00 0.00 175.02 175.38 1iof h TYR 189 N 2.93 0.30 0.00 0.00 3.20 -1.97 0.15 116.97 121.58 1iof h TYR 189 Ca -0.47 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.40 1iof h TYR 189 Cb 1.20 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 1iof h TYR 189 CO 0.60 -0.28 -0.21 0.93 -1.64 0.00 0.00 178.16 177.56 1iof h GLU 190 N 0.15 0.00 0.02 1.82 3.07 -1.99 -0.15 114.58 117.49 1iof h GLU 190 Ca 0.58 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 59.24 1iof h GLU 190 Cb 1.23 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.12 1iof h GLU 190 CO -0.72 0.21 -0.95 1.98 -1.40 0.00 0.00 179.01 178.13 1iof h MET 191 N 0.00 0.09 0.25 2.33 4.05 -1.09 -1.96 114.93 118.60 1iof h MET 191 Ca -0.00 -0.12 -0.01 0.00 -0.28 0.00 0.00 59.70 59.29 1iof h MET 191 Cb 0.39 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 1iof h MET 191 CO 0.03 0.97 -0.12 0.93 0.23 0.00 0.00 176.91 178.95 1iof h GLU 192 N 0.04 -0.32 -0.47 0.39 5.08 -0.81 -1.16 114.58 117.33 1iof h GLU 192 Ca -0.04 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1iof h GLU 192 Cb 1.64 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.92 1iof h GLU 192 CO 0.13 0.00 0.23 1.25 -1.00 0.00 0.00 179.01 179.62 1iof h LEU 193 N -0.67 0.32 -1.41 1.33 5.85 -1.13 -1.51 115.31 118.08 1iof h LEU 193 Ca -0.03 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.77 1iof h LEU 193 Cb 0.47 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 1iof h LEU 193 CO 0.06 0.23 0.45 -0.08 -0.34 0.00 0.00 178.44 178.75 1iof h GLU 194 N 0.45 0.71 -0.25 1.25 4.57 -1.28 -0.80 114.58 119.23 1iof h GLU 194 Ca 0.21 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.30 1iof h GLU 194 Cb 0.13 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 1iof h GLU 194 CO -0.16 0.47 -0.01 0.00 -1.18 0.00 0.00 179.01 178.13 1iof h ALA 195 N 1.62 0.33 0.00 2.92 0.00 -0.24 0.51 119.26 124.41 1iof h ALA 195 Ca 0.28 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1iof h ALA 195 Cb 0.19 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1iof h ALA 195 CO -0.09 0.08 -0.16 -0.24 0.00 0.00 0.00 179.25 178.85 1iof h VAL 196 N 0.21 0.32 -0.33 0.00 3.04 -0.61 -1.98 116.25 116.90 1iof h VAL 196 Ca 0.07 -1.14 -0.07 0.00 -1.01 0.00 0.00 66.70 64.54 1iof h VAL 196 Cb 0.44 1.90 -0.01 0.00 -2.01 0.00 0.00 31.29 31.61 1iof h VAL 196 CO 0.02 0.15 -0.07 0.11 -1.01 0.00 0.00 177.57 176.77 1iof h LYS 197 N 0.00 0.63 -0.01 4.17 1.57 -0.77 -1.98 116.57 120.18 1iof h LYS 197 Ca -0.00 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1iof h LYS 197 Cb 0.89 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 1iof h LYS 197 CO 0.02 0.80 0.01 0.28 -0.57 0.00 0.00 179.45 179.98 1iof h VAL 198 N 0.41 0.97 -0.04 0.50 2.07 -0.66 -1.10 116.25 118.39 1iof h VAL 198 Ca 0.08 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 1iof h VAL 198 Cb 0.56 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1iof h VAL 198 CO 0.03 0.00 -0.02 0.00 0.02 0.00 0.00 177.57 177.60 1iof h ALA 199 N 2.00 0.06 -0.37 1.67 0.00 -0.89 -1.37 119.26 120.36 1iof h ALA 199 Ca 0.00 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.75 1iof h ALA 199 Cb 0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1iof h ALA 199 CO -0.00 -0.21 0.06 0.82 0.00 0.00 0.00 179.25 179.92 1iof h ILE 200 N -0.30 0.79 -0.57 0.00 2.04 -1.04 -0.04 117.51 118.39 1iof h ILE 200 Ca 0.01 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1iof h ILE 200 Cb 0.44 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1iof h ILE 200 CO 0.01 0.03 0.29 -0.33 0.00 0.00 0.00 178.15 178.15 1iof h GLU 201 N 0.17 0.81 0.00 2.37 5.08 -1.14 0.33 114.58 122.20 1iof h GLU 201 Ca 0.18 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1iof h GLU 201 Cb 0.22 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1iof h GLU 201 CO -0.25 0.64 -0.34 -0.39 -1.00 0.00 0.00 179.01 177.67 1iof h VAL 202 N 0.77 0.01 -0.01 3.13 -1.51 -0.75 -2.49 116.25 115.39 1iof h VAL 202 Ca 0.20 -1.02 -0.00 0.00 -1.23 0.00 0.00 66.70 64.65 1iof h VAL 202 Cb 0.09 1.84 -0.00 0.00 -2.13 0.00 0.00 31.29 31.09 1iof h VAL 202 CO -0.03 0.01 0.00 0.00 -1.23 0.00 0.00 177.57 176.32 1iof h ALA 203 N 1.99 0.01 -0.81 5.19 0.00 -0.77 -2.74 119.26 122.13 1iof h ALA 203 Ca -0.00 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.87 1iof h ALA 203 Cb 1.01 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 1iof h ALA 203 CO 0.00 -0.35 0.46 -0.07 0.00 0.00 0.00 179.25 179.29 1iof h LEU 204 N -0.25 0.64 -0.67 0.00 3.38 -0.87 -0.17 115.31 117.37 1iof h LEU 204 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1iof h LEU 204 Cb 0.27 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1iof h LEU 204 CO 0.00 0.36 0.00 1.21 0.09 0.00 0.00 178.44 180.10 1iof n GLU 205 N -4.77 0.13 -0.09 1.13 2.13 -0.95 -2.71 120.64 115.52 1iof n GLU 205 Ca 0.14 0.44 -0.18 0.00 0.66 0.00 0.00 57.16 58.21 1iof n GLU 205 Cb 0.29 -1.79 -0.13 0.00 0.27 0.00 0.00 31.44 30.08 1iof n GLU 205 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1iof n GLU 206 N -2.05 0.68 -1.26 5.31 4.07 -0.21 -4.64 120.64 122.55 1iof n GLU 206 Ca 0.01 0.18 -0.36 0.00 -0.06 0.00 0.00 57.16 56.93 1iof n GLU 206 Cb 0.16 -1.58 -0.02 0.00 -0.06 0.00 0.00 31.44 29.94 1iof n GLU 206 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1iof n LEU 207 N -3.29 7.33 0.00 4.31 -0.00 -0.43 -5.12 117.00 119.80 1iof n LEU 207 Ca -0.40 -3.93 0.00 0.00 -0.00 0.00 0.00 56.01 51.68 1iof n LEU 207 Cb 1.02 -1.45 0.00 0.00 -0.00 0.00 0.00 43.42 42.98 1iof n LEU 207 CO 0.32 1.44 0.00 0.18 -0.00 0.00 0.00 177.39 179.33