#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 2.41 -0.10 0.03 1.02 -1.26 -1.59 119.74 120.25 1iof s LYS 2 Ca 0.00 -0.80 0.03 0.00 0.02 0.00 0.00 55.97 55.22 1iof s LYS 2 Cb 0.00 -2.40 0.01 0.00 -0.52 0.00 0.00 37.83 34.91 1iof s LYS 2 CO 0.00 0.58 -0.20 0.08 -0.92 0.00 0.00 175.35 174.90 1iof s VAL 3 N -0.97 1.79 -0.13 3.17 1.01 -0.51 -1.67 120.40 123.09 1iof s VAL 3 Ca 0.16 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 1iof s VAL 3 Cb -0.11 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1iof s VAL 3 CO 0.07 0.50 0.10 -0.22 0.00 0.00 0.00 175.10 175.54 1iof s LEU 4 N 0.60 4.10 -0.12 3.92 0.20 -0.51 -0.84 118.68 126.02 1iof s LEU 4 Ca -0.14 0.32 0.02 0.00 0.69 0.00 0.00 54.13 55.02 1iof s LEU 4 Cb -0.17 -2.00 0.02 0.00 -0.43 0.00 0.00 46.19 43.61 1iof s LEU 4 CO 0.04 0.35 -0.17 -0.69 -0.29 0.00 0.00 176.35 175.60 1iof s VAL 5 N -0.68 1.65 0.35 1.68 1.01 -0.42 -1.22 120.40 122.77 1iof s VAL 5 Ca 0.12 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.46 1iof s VAL 5 Cb -0.12 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1iof s VAL 5 CO 0.02 0.47 0.17 0.42 0.00 0.00 0.00 175.10 176.19 1iof s THR 6 N 1.04 3.04 0.32 3.92 -4.23 -0.70 -1.47 115.64 117.56 1iof s THR 6 Ca -0.04 -1.64 -0.03 0.00 -1.18 0.00 0.00 61.69 58.80 1iof s THR 6 Cb -0.15 -3.00 -0.00 0.00 1.34 0.00 0.00 72.50 70.69 1iof s THR 6 CO -0.04 -0.17 0.43 -0.83 -0.54 0.00 0.00 174.62 173.48 1iof s GLY 7 N -3.88 1.45 0.27 3.99 0.00 -0.58 -2.19 107.32 106.38 1iof s GLY 7 Ca 0.39 -1.51 0.11 0.00 0.00 0.00 0.00 44.72 43.71 1iof s GLY 7 CO 0.23 -1.03 -0.19 -1.36 0.00 0.00 0.00 173.10 170.76 1iof s PHE 8 N -3.28 2.19 1.29 1.90 0.40 -1.26 -0.21 117.98 119.01 1iof s PHE 8 Ca 0.31 -0.38 -0.20 0.00 -0.60 0.00 0.00 56.93 56.06 1iof s PHE 8 Cb 0.00 -0.97 0.32 0.00 0.51 0.00 0.00 43.02 42.89 1iof s PHE 8 CO 0.19 0.65 1.03 -1.21 0.70 0.00 0.00 175.22 176.58 1iof s GLU 9 N -3.54 -1.92 -0.13 0.44 2.02 -1.11 -2.91 118.70 111.55 1iof s GLU 9 Ca 0.29 0.09 -0.29 0.00 0.02 0.00 0.00 54.97 55.08 1iof s GLU 9 Cb -0.04 -1.50 -0.06 0.00 0.10 0.00 0.00 34.13 32.63 1iof s GLU 9 CO 0.14 -4.20 2.11 -2.14 0.02 0.00 0.00 175.26 171.19 1iof s PRO 10 N -5.19 3.49 0.91 0.39 0.02 -1.26 -4.74 135.00 128.62 1iof s PRO 10 Ca 0.70 2.20 -0.12 0.00 0.02 0.00 0.00 61.00 63.80 1iof s PRO 10 Cb -0.12 -4.29 0.14 0.00 0.02 0.00 0.00 34.50 30.24 1iof s PRO 10 CO 0.57 -1.69 1.09 -0.06 -0.33 0.00 0.00 177.00 176.58 1iof s PHE 11 N 6.90 2.27 0.04 6.54 0.08 -1.26 -4.90 117.98 127.65 1iof s PHE 11 Ca 0.95 1.24 -0.36 0.00 0.12 0.00 0.00 56.93 58.88 1iof s PHE 11 Cb -0.36 -3.17 -0.15 0.00 -0.57 0.00 0.00 43.02 38.77 1iof s PHE 11 CO 0.37 -2.47 1.51 0.41 -0.10 0.00 0.00 175.22 174.94 1iof n GLY 12 N -1.06 0.79 0.00 4.36 0.00 -1.26 -2.95 105.19 105.06 1iof n GLY 12 Ca 0.07 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.82 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 3.15 2.50 3.76 -0.02 0.00 -1.26 -5.04 105.19 108.28 1iof n GLY 13 Ca 0.19 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 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 3.17 -0.02 1.61 0.41 -1.15 -4.95 118.70 117.76 1iof s GLU 14 Ca 0.00 1.91 0.21 0.00 -0.41 0.00 0.00 54.97 56.68 1iof s GLU 14 Cb 0.00 -2.10 -0.31 0.00 -1.78 0.00 0.00 34.13 29.95 1iof s GLU 14 CO 0.00 -1.07 0.57 1.17 -0.49 0.00 0.00 175.26 175.44 1iof n LYS 15 N -1.24 0.52 -4.12 1.61 3.00 -1.26 -4.67 118.16 111.99 1iof n LYS 15 Ca 0.12 -0.15 -0.15 0.00 -0.00 0.00 0.00 58.31 58.13 1iof n LYS 15 Cb 0.48 -1.50 -0.13 0.00 0.00 0.00 0.00 35.03 33.88 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 -3.36 0.53 -0.23 3.15 2.07 -1.26 -4.86 121.20 117.23 1iof s ILE 16 Ca -0.04 -0.72 0.00 0.00 -1.41 0.00 0.00 60.65 58.48 1iof s ILE 16 Cb 0.14 -0.53 0.06 0.00 0.13 0.00 0.00 42.46 42.26 1iof s ILE 16 CO 0.88 -0.15 -0.03 0.21 -1.91 0.00 0.00 174.94 173.94 1iof s ASN 17 N -0.95 3.77 0.43 4.50 3.84 -1.26 -4.82 114.94 120.44 1iof s ASN 17 Ca -0.04 -1.17 0.28 0.00 0.21 0.00 0.00 52.86 52.13 1iof s ASN 17 Cb -0.07 -1.11 1.50 0.00 -0.55 0.00 0.00 41.25 41.03 1iof s ASN 17 CO 0.00 -0.25 1.84 1.55 -2.79 0.00 0.00 177.10 177.45 1iof h PRO 18 N 7.99 0.00 0.00 0.43 0.13 -1.93 -2.39 132.00 136.23 1iof h PRO 18 Ca -0.17 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.85 1iof h PRO 18 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1iof h PRO 18 CO 0.41 0.00 -0.56 1.79 -0.23 0.00 0.00 178.00 179.41 1iof h THR 19 N 0.00 0.85 -0.87 1.56 1.35 -1.92 -1.48 112.91 112.40 1iof h THR 19 Ca 0.00 -2.21 0.02 0.00 -0.55 0.00 0.00 66.41 63.67 1iof h THR 19 Cb 0.06 2.40 -0.05 0.00 -1.73 0.00 0.00 68.15 68.84 1iof h THR 19 CO 0.00 0.48 0.57 -0.08 -0.25 0.00 0.00 175.52 176.24 1iof h GLU 20 N 0.00 1.10 -0.21 4.72 4.81 -1.29 -1.70 114.58 122.01 1iof h GLU 20 Ca -0.01 -0.07 -0.21 0.00 -0.13 0.00 0.00 59.36 58.94 1iof h GLU 20 Cb 1.40 -0.25 0.01 0.00 0.63 0.00 0.00 28.75 30.54 1iof h GLU 20 CO 0.06 0.73 -0.69 0.00 -0.73 0.00 0.00 179.01 178.39 1iof h ARG 21 N 1.14 0.84 -0.77 1.92 3.08 -1.60 -2.52 114.38 116.46 1iof h ARG 21 Ca 0.33 -0.62 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 1iof h ARG 21 Cb -0.07 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.06 1iof h ARG 21 CO -0.09 1.24 0.45 0.82 -1.07 0.00 0.00 179.97 181.32 1iof h ILE 22 N 0.60 1.22 -0.20 2.04 2.04 -1.01 -1.20 117.51 121.00 1iof h ILE 22 Ca -0.03 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 1iof h ILE 22 Cb 1.31 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1iof h ILE 22 CO 0.15 0.23 0.04 0.00 0.00 0.00 0.00 178.15 178.57 1iof h ALA 23 N 1.43 0.27 -0.27 1.87 0.00 -1.15 -2.31 119.26 119.09 1iof h ALA 23 Ca 0.28 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1iof h ALA 23 Cb -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1iof h ALA 23 CO -0.05 -0.07 -0.16 0.87 0.00 0.00 0.00 179.25 179.83 1iof h LYS 24 N 0.13 0.47 0.00 0.00 1.57 -1.19 -2.37 116.57 115.18 1iof h LYS 24 Ca 0.06 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1iof h LYS 24 Cb 0.30 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1iof h LYS 24 CO 0.00 0.62 -0.07 -0.44 -0.57 0.00 0.00 179.45 179.00 1iof h ASP 25 N 0.43 0.00 0.04 0.86 3.45 -1.06 -3.12 116.42 117.02 1iof h ASP 25 Ca 0.08 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.54 1iof h ASP 25 Cb 0.54 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.31 1iof h ASP 25 CO 0.03 0.07 -0.72 0.18 -1.57 0.00 0.00 179.24 177.23 1iof n LEU 26 N -3.13 1.38 -4.69 1.55 4.77 -0.88 -4.87 117.00 111.14 1iof n LEU 26 Ca 0.03 -0.56 -0.42 0.00 -0.03 0.00 0.00 56.01 55.03 1iof n LEU 26 Cb 0.49 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 1iof n LEU 26 CO 0.33 0.29 1.26 -0.62 -1.33 0.00 0.00 177.39 177.32 1iof s ASP 27 N -2.77 6.70 0.00 -1.43 3.68 -0.91 -2.33 116.67 119.61 1iof s ASP 27 Ca 0.13 2.32 0.00 0.00 2.13 0.00 0.00 52.55 57.13 1iof s ASP 27 Cb 0.17 -2.56 0.00 0.00 -1.45 0.00 0.00 42.92 39.08 1iof s ASP 27 CO 0.72 -0.83 0.00 0.61 0.13 0.00 0.00 175.17 175.80 1iof n GLY 28 N 3.89 0.97 3.94 2.66 0.00 -0.24 -4.92 105.19 111.49 1iof n GLY 28 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.09 2.11 -0.03 -0.61 -4.36 -0.98 -4.79 121.20 109.45 1iof s ILE 29 Ca 0.00 -0.19 0.02 0.00 -0.26 0.00 0.00 60.65 60.22 1iof s ILE 29 Cb 0.00 -2.93 0.01 0.00 1.25 0.00 0.00 42.46 40.79 1iof s ILE 29 CO 0.00 0.00 -0.07 -0.54 0.24 0.00 0.00 174.94 174.57 1iof s LYS 30 N -5.50 0.84 -0.22 0.37 1.02 -1.26 -1.42 119.74 113.57 1iof s LYS 30 Ca 0.66 -0.20 0.02 0.00 0.02 0.00 0.00 55.97 56.47 1iof s LYS 30 Cb -0.08 -0.80 0.04 0.00 -0.52 0.00 0.00 37.83 36.47 1iof s LYS 30 CO 0.48 0.03 -0.13 0.42 -0.92 0.00 0.00 175.35 175.23 1iof s ILE 31 N 0.46 1.95 0.00 2.17 1.01 -0.61 -4.90 121.20 121.28 1iof s ILE 31 Ca -0.06 -1.22 0.00 0.00 0.00 0.00 0.00 60.65 59.36 1iof s ILE 31 Cb -0.10 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 40.40 1iof s ILE 31 CO 0.00 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.75 1iof n GLY 32 N 4.57 3.13 0.49 6.18 0.00 -1.26 -1.23 105.19 117.08 1iof n GLY 32 Ca -0.16 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 45.84 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 2.15 -4.58 1.61 5.75 -1.26 -4.97 116.55 124.58 1iof n ASP 33 Ca 0.00 -3.55 -0.34 0.00 -0.01 0.00 0.00 54.79 50.89 1iof n ASP 33 Cb 0.00 -0.51 -0.11 0.00 -1.03 0.00 0.00 41.12 39.48 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 -3.09 3.25 0.22 2.12 0.00 -0.36 -4.07 121.76 119.82 1iof s ALA 34 Ca 0.37 -0.77 -0.29 0.00 0.00 0.00 0.00 51.96 51.27 1iof s ALA 34 Cb 0.34 -1.77 -0.09 0.00 0.00 0.00 0.00 23.12 21.61 1iof s ALA 34 CO -0.02 0.21 0.91 -1.14 0.00 0.00 0.00 175.76 175.72 1iof s GLN 35 N 0.33 4.79 -0.08 0.00 -0.44 -0.62 -1.58 119.66 122.07 1iof s GLN 35 Ca 0.00 1.42 0.02 0.00 -2.50 0.00 0.00 55.36 54.30 1iof s GLN 35 Cb -0.13 -3.28 -0.02 0.00 -1.64 0.00 0.00 33.01 27.93 1iof s GLN 35 CO 0.01 0.51 -0.11 0.08 0.50 0.00 0.00 175.29 176.28 1iof s VAL 36 N -1.10 3.29 0.18 1.34 1.01 -0.51 -1.43 120.40 123.18 1iof s VAL 36 Ca 0.40 -0.62 0.10 0.00 0.00 0.00 0.00 61.98 61.86 1iof s VAL 36 Cb -0.25 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1iof s VAL 36 CO 0.31 0.57 -0.19 -0.36 0.00 0.00 0.00 175.10 175.44 1iof s PHE 37 N -0.48 2.44 -0.03 5.22 0.40 -0.02 -1.08 117.98 124.44 1iof s PHE 37 Ca 0.06 -0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.09 1iof s PHE 37 Cb -0.12 -1.22 0.03 0.00 0.51 0.00 0.00 43.02 42.22 1iof s PHE 37 CO 0.02 0.48 0.02 0.20 0.70 0.00 0.00 175.22 176.64 1iof s GLY 38 N -2.63 0.18 0.07 4.36 0.00 -1.26 -1.30 107.32 106.75 1iof s GLY 38 Ca 0.21 0.23 0.02 0.00 0.00 0.00 0.00 44.72 45.18 1iof s GLY 38 CO 0.11 0.70 -0.07 0.50 0.00 0.00 0.00 173.10 174.34 1iof s ARG 39 N 1.13 0.70 -0.21 2.90 1.81 -0.54 -4.76 118.95 119.97 1iof s ARG 39 Ca -0.08 -1.06 -0.02 0.00 -1.72 0.00 0.00 55.73 52.85 1iof s ARG 39 Cb -0.13 -0.27 0.00 0.00 -0.45 0.00 0.00 34.95 34.10 1iof s ARG 39 CO -0.02 0.02 -0.10 0.08 -0.68 0.00 0.00 175.30 174.59 1iof s VAL 40 N -2.51 2.84 0.24 3.52 1.01 -1.26 -1.53 120.40 122.71 1iof s VAL 40 Ca 0.01 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.11 1iof s VAL 40 Cb -0.02 -2.27 -0.08 0.00 0.00 0.00 0.00 36.38 34.00 1iof s VAL 40 CO -0.02 0.46 0.74 -0.76 0.00 0.00 0.00 175.10 175.52 1iof s LEU 41 N 1.40 4.31 0.67 3.92 1.43 0.71 -4.91 118.68 126.20 1iof s LEU 41 Ca 0.05 1.43 -0.14 0.00 -1.03 0.00 0.00 54.13 54.44 1iof s LEU 41 Cb -0.14 -3.67 0.00 0.00 0.03 0.00 0.00 46.19 42.42 1iof s LEU 41 CO -0.07 0.00 1.10 -2.16 0.23 0.00 0.00 176.35 175.45 1iof s PRO 42 N -2.09 2.79 -0.99 1.29 0.04 -1.26 -2.76 135.00 132.02 1iof s PRO 42 Ca 0.45 1.32 -0.01 0.00 0.04 0.00 0.00 61.00 62.79 1iof s PRO 42 Cb -0.16 -1.95 0.31 0.00 0.04 0.00 0.00 34.50 32.74 1iof s PRO 42 CO 0.21 -1.25 1.53 0.28 0.04 0.00 0.00 177.00 177.81 1iof n VAL 43 N -2.55 5.28 -3.69 -0.36 0.31 -1.26 -4.55 118.33 111.50 1iof n VAL 43 Ca 0.10 -5.88 -0.22 0.00 -0.01 0.00 0.00 64.34 58.32 1iof n VAL 43 Cb 0.52 -1.82 -0.18 0.00 -0.91 0.00 0.00 33.84 31.46 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 -3.52 0.08 0.41 2.52 1.01 -1.26 -0.20 120.40 119.45 1iof s VAL 44 Ca 0.36 0.16 -0.26 0.00 0.00 0.00 0.00 61.98 62.24 1iof s VAL 44 Cb 0.13 -0.40 -0.09 0.00 0.00 0.00 0.00 36.38 36.02 1iof s VAL 44 CO -0.01 0.09 1.38 -0.36 0.00 0.00 0.00 175.10 176.20 1iof s PHE 45 N 2.08 2.66 0.00 5.22 0.40 -1.26 -0.70 117.98 126.38 1iof s PHE 45 Ca 0.04 1.31 0.00 0.00 -0.60 0.00 0.00 56.93 57.68 1iof s PHE 45 Cb -0.13 -3.83 0.00 0.00 0.51 0.00 0.00 43.02 39.57 1iof s PHE 45 CO -0.05 -2.56 0.00 0.41 0.70 0.00 0.00 175.22 173.72 1iof n GLY 46 N 0.61 1.97 0.27 4.36 0.00 -1.26 -4.58 105.19 106.56 1iof n GLY 46 Ca 0.03 -0.62 -0.01 0.00 0.00 0.00 0.00 46.02 45.42 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 0.76 0.00 1.61 1.63 -1.96 0.96 116.57 119.56 1iof h LYS 47 Ca 0.00 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 1iof h LYS 47 Cb 0.00 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 31.46 1iof h LYS 47 CO 0.00 0.50 -0.05 0.00 -3.45 0.00 0.00 179.45 176.45 1iof h ALA 48 N 1.35 1.71 -0.03 5.00 0.00 -1.15 -0.24 119.26 125.89 1iof h ALA 48 Ca 0.31 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 1iof h ALA 48 Cb 0.15 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1iof h ALA 48 CO -0.17 0.06 -0.48 -0.22 0.00 0.00 0.00 179.25 178.45 1iof h LYS 49 N 0.00 0.37 0.49 0.00 3.64 -1.11 -1.42 116.57 118.54 1iof h LYS 49 Ca -0.00 -0.36 -0.01 0.00 -1.27 0.00 0.00 60.65 59.00 1iof h LYS 49 Cb 0.10 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1iof h LYS 49 CO 0.01 1.03 -0.37 1.49 -2.27 0.00 0.00 179.45 179.33 1iof h GLU 50 N -0.15 -0.81 -0.81 1.90 4.81 -0.58 0.00 114.58 118.94 1iof h GLU 50 Ca -0.05 0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1iof h GLU 50 Cb 1.17 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.69 1iof h GLU 50 CO 0.10 -0.54 0.53 0.28 -0.73 0.00 0.00 179.01 178.64 1iof h VAL 51 N -0.84 1.15 -0.52 0.32 2.07 -1.13 -1.61 116.25 115.68 1iof h VAL 51 Ca -0.05 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 1iof h VAL 51 Cb 0.72 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1iof h VAL 51 CO 0.00 0.19 0.18 0.25 0.02 0.00 0.00 177.57 178.22 1iof h LEU 52 N 1.04 0.74 -0.23 2.57 6.46 -0.90 -0.80 115.31 124.19 1iof h LEU 52 Ca 0.32 -0.19 -0.12 0.00 -0.12 0.00 0.00 57.88 57.77 1iof h LEU 52 Cb -0.03 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 39.71 1iof h LEU 52 CO -0.10 0.73 -0.33 -0.33 -0.62 0.00 0.00 178.44 177.80 1iof h GLU 53 N 0.71 0.62 -0.35 1.25 5.08 -0.50 0.22 114.58 121.61 1iof h GLU 53 Ca 0.17 -0.37 0.07 0.00 -1.00 0.00 0.00 59.36 58.23 1iof h GLU 53 Cb 0.24 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.46 1iof h GLU 53 CO -0.01 0.98 -0.09 0.87 -1.00 0.00 0.00 179.01 179.76 1iof h LYS 54 N 0.32 -0.01 -0.85 2.33 1.57 -1.26 -0.26 116.57 118.42 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 0.91 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.18 1iof h LYS 54 CO 0.08 -0.00 0.47 1.15 -0.57 0.00 0.00 179.45 180.57 1iof h THR 55 N -0.01 1.25 -0.43 -0.16 2.02 -0.93 0.70 112.91 115.34 1iof h THR 55 Ca 0.17 -0.60 -0.13 0.00 0.77 0.00 0.00 66.41 66.62 1iof h THR 55 Cb 0.26 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 1iof h THR 55 CO -0.36 0.27 -0.25 -0.07 0.37 0.00 0.00 175.52 175.49 1iof h LEU 56 N 1.18 0.92 -0.06 2.58 3.38 -0.35 -1.46 115.31 121.50 1iof h LEU 56 Ca 0.30 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1iof h LEU 56 Cb 0.01 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1iof h LEU 56 CO -0.05 1.11 -0.00 -0.08 0.09 0.00 0.00 178.44 179.51 1iof h GLU 57 N 0.76 0.10 -0.34 1.13 4.57 -0.47 0.14 114.58 120.47 1iof h GLU 57 Ca 0.10 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1iof h GLU 57 Cb 0.80 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.37 1iof h GLU 57 CO 0.07 0.40 0.16 1.49 -1.18 0.00 0.00 179.01 179.95 1iof h GLU 58 N -0.21 0.50 0.00 1.92 4.81 -0.84 -3.30 114.58 117.46 1iof h GLU 58 Ca 0.02 -0.08 -0.23 0.00 -0.13 0.00 0.00 59.36 58.94 1iof h GLU 58 Cb 0.36 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 1iof h GLU 58 CO 0.00 0.47 -1.66 -0.89 -0.73 0.00 0.00 179.01 176.20 1iof n ILE 59 N -4.73 1.33 -4.02 2.32 5.41 -0.56 -5.01 119.36 114.10 1iof n ILE 59 Ca -0.01 -0.74 -0.42 0.00 1.00 0.00 0.00 62.75 62.57 1iof n ILE 59 Cb 0.11 -0.79 0.02 0.00 -0.71 0.00 0.00 39.64 38.27 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 -2.91 -0.52 -1.98 0.38 5.02 0.48 -4.90 118.16 113.73 1iof n LYS 60 Ca -0.15 0.22 -0.34 0.00 -2.02 0.00 0.00 58.31 56.02 1iof n LYS 60 Cb 0.95 -2.40 0.03 0.00 -0.02 0.00 0.00 35.03 33.58 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 -6.90 3.04 0.07 1.97 0.02 -1.26 -4.85 135.00 127.09 1iof s PRO 61 Ca 0.38 1.50 0.02 0.00 0.02 0.00 0.00 61.00 62.92 1iof s PRO 61 Cb -0.21 -1.97 -0.25 0.00 0.02 0.00 0.00 34.50 32.09 1iof s PRO 61 CO 0.96 -1.08 1.12 -0.44 -0.33 0.00 0.00 177.00 177.23 1iof h ASP 62 N 0.56 0.21 -3.41 2.53 3.32 -1.67 -3.34 116.42 114.62 1iof h ASP 62 Ca -0.48 -0.25 -0.43 0.00 0.02 0.00 0.00 57.03 55.89 1iof h ASP 62 Cb 1.25 -0.07 -0.35 0.00 0.22 0.00 0.00 39.33 40.39 1iof h ASP 62 CO 0.55 1.20 -0.78 -0.63 -1.72 0.00 0.00 179.24 177.86 1iof s ILE 63 N -2.67 0.59 -0.04 0.35 1.01 -1.19 -0.37 121.20 118.89 1iof s ILE 63 Ca -0.03 -0.13 0.06 0.00 0.00 0.00 0.00 60.65 60.56 1iof s ILE 63 Cb 0.08 -0.63 -0.02 0.00 0.01 0.00 0.00 42.46 41.91 1iof s ILE 63 CO 0.85 0.25 -0.24 0.00 0.00 0.00 0.00 174.94 175.80 1iof s ALA 64 N 1.10 2.24 -0.13 9.38 0.00 -0.51 -1.43 121.76 132.42 1iof s ALA 64 Ca -0.08 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 50.80 1iof s ALA 64 Cb -0.14 -0.67 0.04 0.00 0.00 0.00 0.00 23.12 22.35 1iof s ALA 64 CO -0.01 0.48 -0.03 0.42 0.00 0.00 0.00 175.76 176.63 1iof s ILE 65 N -0.43 0.78 -0.06 0.00 1.01 -0.36 -3.36 121.20 118.77 1iof s ILE 65 Ca 0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 60.65 60.36 1iof s ILE 65 Cb -0.12 -0.97 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 1iof s ILE 65 CO 0.01 0.17 0.06 -1.00 0.00 0.00 0.00 174.94 174.17 1iof s HIS 66 N 1.79 3.29 -0.00 3.97 3.76 -0.18 -1.72 115.29 126.20 1iof s HIS 66 Ca 0.03 0.27 0.04 0.00 -0.15 0.00 0.00 55.06 55.24 1iof s HIS 66 Cb -0.14 -1.80 -0.01 0.00 1.11 0.00 0.00 32.58 31.74 1iof s HIS 66 CO -0.07 0.55 -0.11 0.08 -0.85 0.00 0.00 174.74 174.34 1iof s VAL 67 N -1.02 0.89 0.16 -0.90 1.01 -0.93 -0.46 120.40 119.14 1iof s VAL 67 Ca 0.17 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 1iof s VAL 67 Cb -0.12 -0.76 -0.00 0.00 0.00 0.00 0.00 36.38 35.50 1iof s VAL 67 CO 0.07 0.20 0.31 -0.83 0.00 0.00 0.00 175.10 174.84 1iof s GLY 68 N -0.41 0.33 -0.16 4.51 0.00 0.05 -4.22 107.32 107.42 1iof s GLY 68 Ca 0.03 -0.73 -0.25 0.00 0.00 0.00 0.00 44.72 43.77 1iof s GLY 68 CO -0.00 -0.73 0.82 -2.27 0.00 0.00 0.00 173.10 170.91 1iof s LEU 69 N -2.94 4.19 -0.69 0.66 0.20 -1.26 -0.16 118.68 118.68 1iof s LEU 69 Ca 0.14 1.18 0.01 0.00 0.69 0.00 0.00 54.13 56.14 1iof s LEU 69 Cb 0.03 -3.22 0.17 0.00 -0.43 0.00 0.00 46.19 42.74 1iof s LEU 69 CO -0.02 -0.37 0.49 0.00 -0.29 0.00 0.00 176.35 176.17 1iof s ALA 70 N 2.00 3.74 -0.33 5.97 0.00 0.03 -4.84 121.76 128.33 1iof s ALA 70 Ca 0.38 -3.55 -0.43 0.00 0.00 0.00 0.00 51.96 48.37 1iof s ALA 70 Cb -0.17 -2.47 -0.18 0.00 0.00 0.00 0.00 23.12 20.30 1iof s ALA 70 CO 0.13 -2.10 1.62 -2.30 0.00 0.00 0.00 175.76 173.12 1iof n PRO 71 N 2.76 0.63 -0.24 0.00 -0.02 -1.26 -1.22 135.00 135.65 1iof n PRO 71 Ca 0.13 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1iof n PRO 71 Cb 0.36 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 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 3.85 0.76 3.87 -1.23 0.00 -1.26 -5.01 105.19 106.17 1iof n GLY 72 Ca 0.27 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.67 3.84 0.00 1.61 0.52 -0.36 -4.68 118.95 119.21 1iof s ARG 73 Ca 0.00 0.42 0.16 0.00 -0.52 0.00 0.00 55.73 55.79 1iof s ARG 73 Cb 0.00 -2.51 0.09 0.00 0.52 0.00 0.00 34.95 33.06 1iof s ARG 73 CO 0.00 0.16 0.95 -1.13 0.02 0.00 0.00 175.30 175.30 1iof n SER 74 N -0.63 2.12 -3.30 0.23 3.41 -1.26 -4.43 113.62 109.76 1iof n SER 74 Ca 0.02 -1.56 -0.13 0.00 -0.26 0.00 0.00 58.87 56.93 1iof n SER 74 Cb 0.53 0.12 -0.04 0.00 -0.26 0.00 0.00 64.21 64.57 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 -1.45 0.50 0.16 7.33 0.00 -1.26 -4.88 121.76 122.16 1iof s ALA 75 Ca 0.17 -1.37 -0.30 0.00 0.00 0.00 0.00 51.96 50.46 1iof s ALA 75 Cb 0.13 1.09 -0.07 0.00 0.00 0.00 0.00 23.12 24.27 1iof s ALA 75 CO 0.25 -0.82 1.13 0.42 0.00 0.00 0.00 175.76 176.74 1iof s ILE 76 N -3.08 3.85 -0.09 0.00 -1.09 -0.65 -4.22 121.20 115.93 1iof s ILE 76 Ca 0.28 1.54 0.04 0.00 -2.23 0.00 0.00 60.65 60.28 1iof s ILE 76 Cb -0.01 -3.98 -0.00 0.00 -1.58 0.00 0.00 42.46 36.89 1iof s ILE 76 CO 0.18 0.24 -0.23 -0.94 -1.23 0.00 0.00 174.94 172.95 1iof s SER 77 N 0.14 3.00 -0.29 3.58 1.04 -0.64 -0.23 113.70 120.31 1iof s SER 77 Ca 0.52 -0.53 -0.12 0.00 0.48 0.00 0.00 55.95 56.29 1iof s SER 77 Cb -0.30 -1.25 -0.04 0.00 0.10 0.00 0.00 66.02 64.52 1iof s SER 77 CO 0.34 0.17 0.22 -0.63 0.98 0.00 0.00 173.24 174.32 1iof s ILE 78 N 0.25 5.29 0.03 -1.02 1.01 0.29 -0.84 121.20 126.21 1iof s ILE 78 Ca -0.16 0.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.35 1iof s ILE 78 Cb -0.17 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 1iof s ILE 78 CO 0.08 0.20 1.19 -1.61 0.00 0.00 0.00 174.94 174.79 1iof s GLU 79 N 1.79 4.42 -0.03 2.79 0.41 -0.80 -0.94 118.70 126.34 1iof s GLU 79 Ca 0.08 1.73 0.08 0.00 -0.41 0.00 0.00 54.97 56.45 1iof s GLU 79 Cb -0.16 -3.41 -0.24 0.00 -1.78 0.00 0.00 34.13 28.54 1iof s GLU 79 CO 0.11 -0.30 0.73 -0.09 -0.49 0.00 0.00 175.26 175.22 1iof h ARG 80 N 6.99 0.05 -3.57 1.61 2.43 -1.54 -3.42 114.38 116.92 1iof h ARG 80 Ca -0.40 -0.09 -0.21 0.00 -0.81 0.00 0.00 59.98 58.48 1iof h ARG 80 Cb 1.20 0.03 -0.27 0.00 -0.42 0.00 0.00 29.97 30.52 1iof h ARG 80 CO 0.83 0.69 -0.63 0.42 -1.51 0.00 0.00 179.97 179.77 1iof s ILE 81 N -2.61 0.01 0.00 1.20 1.01 -1.26 -0.89 121.20 118.66 1iof s ILE 81 Ca -0.06 -0.06 0.05 0.00 0.00 0.00 0.00 60.65 60.58 1iof s ILE 81 Cb 0.08 -0.13 -0.03 0.00 0.01 0.00 0.00 42.46 42.39 1iof s ILE 81 CO 0.82 -0.03 -0.15 0.00 0.00 0.00 0.00 174.94 175.58 1iof s ALA 82 N -0.06 2.68 0.13 9.38 0.00 -0.37 -4.40 121.76 129.12 1iof s ALA 82 Ca -0.01 -1.09 0.08 0.00 0.00 0.00 0.00 51.96 50.93 1iof s ALA 82 Cb -0.01 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 1iof s ALA 82 CO 0.00 0.57 -0.18 0.14 0.00 0.00 0.00 175.76 176.29 1iof s VAL 83 N -0.87 1.65 -1.56 0.00 -7.23 -1.26 -1.76 120.40 109.37 1iof s VAL 83 Ca 0.14 -1.71 -0.11 0.00 -1.81 0.00 0.00 61.98 58.50 1iof s VAL 83 Cb -0.11 -1.64 -0.04 0.00 0.56 0.00 0.00 36.38 35.16 1iof s VAL 83 CO 0.04 -0.24 2.74 -3.20 -0.31 0.00 0.00 175.10 174.13 1iof n ASN 84 N 0.68 7.56 -3.63 4.85 2.85 0.17 -4.83 115.26 122.91 1iof n ASN 84 Ca -0.16 -2.69 -0.15 0.00 -0.11 0.00 0.00 54.58 51.47 1iof n ASN 84 Cb 0.56 -1.56 -0.07 0.00 1.24 0.00 0.00 39.78 39.94 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 2.10 -1.23 -0.13 5.20 0.00 -1.26 -3.71 121.76 122.73 1iof s ALA 85 Ca 0.63 0.68 0.02 0.00 0.00 0.00 0.00 51.96 53.29 1iof s ALA 85 Cb 0.17 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.46 1iof s ALA 85 CO -0.07 -0.38 -0.18 0.42 0.00 0.00 0.00 175.76 175.56 1iof s ILE 86 N -1.71 1.75 -0.43 0.00 1.01 0.04 -4.79 121.20 117.08 1iof s ILE 86 Ca -0.10 -0.79 0.05 0.00 0.00 0.00 0.00 60.65 59.81 1iof s ILE 86 Cb -0.02 -1.58 0.18 0.00 0.01 0.00 0.00 42.46 41.05 1iof s ILE 86 CO 0.04 0.49 0.44 -0.67 0.00 0.00 0.00 174.94 175.24 1iof n ASP 87 N 4.22 -1.17 -4.69 3.58 4.64 -0.02 -1.54 116.55 121.57 1iof n ASP 87 Ca -0.19 -2.52 -0.42 0.00 -1.38 0.00 0.00 54.79 50.27 1iof n ASP 87 Cb 0.51 -0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.56 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 -0.09 -1.67 0.00 0.12 -4.66 121.76 119.23 1iof s ALA 88 Ca 0.32 0.88 -0.25 0.00 0.00 0.00 0.00 51.96 52.92 1iof s ALA 88 Cb 0.04 -3.59 -0.29 0.00 0.00 0.00 0.00 23.12 19.28 1iof s ALA 88 CO -0.16 -0.91 0.84 -0.09 0.00 0.00 0.00 175.76 175.44 1iof h ARG 89 N 7.81 0.18 -6.48 0.00 2.43 -1.89 -3.39 114.38 113.03 1iof h ARG 89 Ca -0.38 -0.30 -0.51 0.00 -0.81 0.00 0.00 59.98 57.98 1iof h ARG 89 Cb 1.18 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1iof h ARG 89 CO 0.90 1.14 -0.17 0.42 -1.51 0.00 0.00 179.97 180.75 1iof s ILE 90 N -2.34 5.07 0.59 1.20 1.01 -1.26 -5.08 121.20 120.38 1iof s ILE 90 Ca -0.16 -0.16 -0.18 0.00 0.00 0.00 0.00 60.65 60.14 1iof s ILE 90 Cb -0.01 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1iof s ILE 90 CO 0.77 -0.40 1.16 -2.16 0.00 0.00 0.00 174.94 174.31 1iof s PRO 91 N -3.82 3.09 1.07 2.79 0.04 -1.26 -4.70 135.00 132.20 1iof s PRO 91 Ca 0.42 1.66 -0.14 0.00 0.04 0.00 0.00 61.00 62.98 1iof s PRO 91 Cb -0.10 -1.96 0.22 0.00 0.04 0.00 0.00 34.50 32.70 1iof s PRO 91 CO 0.32 -1.08 1.09 0.16 0.04 0.00 0.00 177.00 177.54 1iof s ASP 92 N -1.84 2.00 0.12 6.66 3.84 0.05 -4.76 116.67 122.74 1iof s ASP 92 Ca 0.74 1.06 0.07 0.00 -0.00 0.00 0.00 52.55 54.42 1iof s ASP 92 Cb -0.26 -1.64 0.40 0.00 -1.38 0.00 0.00 42.92 40.04 1iof s ASP 92 CO 0.32 -3.50 1.19 0.59 -0.00 0.00 0.00 175.17 173.76 1iof n ASN 93 N -4.40 0.19 0.02 2.11 5.03 0.72 -0.69 115.26 118.23 1iof n ASN 93 Ca 0.07 0.55 0.12 0.00 0.87 0.00 0.00 54.58 56.18 1iof n ASN 93 Cb 0.58 -0.57 0.14 0.00 -1.02 0.00 0.00 39.78 38.91 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 -1.74 0.12 0.00 3.52 -0.58 -1.26 -4.98 120.64 115.72 1iof n GLU 94 Ca -0.00 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1iof n GLU 94 Cb 0.07 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 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 1.44 0.80 3.76 0.62 0.00 0.13 -5.08 105.19 106.86 1iof n GLY 95 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.69 4.11 -0.17 1.61 -2.85 -1.26 -4.79 119.74 115.70 1iof s LYS 96 Ca 0.00 0.10 -0.01 0.00 -1.00 0.00 0.00 55.97 55.06 1iof s LYS 96 Cb 0.00 -3.37 -0.01 0.00 -2.06 0.00 0.00 37.83 32.39 1iof s LYS 96 CO 0.00 0.37 -0.11 0.21 0.10 0.00 0.00 175.35 175.92 1iof s LYS 97 N 0.07 3.32 -0.25 1.78 2.20 -1.26 -0.77 119.74 124.82 1iof s LYS 97 Ca 0.17 -0.69 -0.04 0.00 -0.36 0.00 0.00 55.97 55.05 1iof s LYS 97 Cb -0.13 -2.77 0.01 0.00 -1.51 0.00 0.00 37.83 33.43 1iof s LYS 97 CO 0.05 -0.02 -0.00 0.42 -0.36 0.00 0.00 175.35 175.44 1iof s ILE 98 N 0.95 3.48 -0.27 5.43 1.01 -1.26 -4.97 121.20 125.57 1iof s ILE 98 Ca -0.02 -0.69 -0.11 0.00 0.00 0.00 0.00 60.65 59.83 1iof s ILE 98 Cb -0.15 -2.71 -0.05 0.00 0.01 0.00 0.00 42.46 39.56 1iof s ILE 98 CO -0.01 0.24 0.17 -1.61 0.00 0.00 0.00 174.94 173.73 1iof s GLU 99 N 1.45 3.93 -0.81 2.79 0.41 -1.26 0.10 118.70 125.31 1iof s GLU 99 Ca 0.03 -0.33 -0.00 0.00 -0.41 0.00 0.00 54.97 54.26 1iof s GLU 99 Cb -0.16 -3.61 0.00 0.00 -1.78 0.00 0.00 34.13 28.58 1iof s GLU 99 CO -0.01 -0.15 0.63 -0.25 -0.49 0.00 0.00 175.26 174.98 1iof n ASP 100 N 4.96 -5.68 -4.35 -0.19 8.00 -0.59 -4.96 116.55 113.74 1iof n ASP 100 Ca -0.14 -0.72 -0.28 0.00 0.71 0.00 0.00 54.79 54.36 1iof n ASP 100 Cb 0.52 -2.71 -0.13 0.00 -0.02 0.00 0.00 41.12 38.78 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 -4.42 1.43 0.69 -1.24 2.56 -1.08 -4.96 118.70 111.68 1iof s GLU 101 Ca 0.01 -1.22 -0.11 0.00 0.00 0.00 0.00 54.97 53.64 1iof s GLU 101 Cb -0.00 -1.78 0.01 0.00 2.00 0.00 0.00 34.13 34.36 1iof s GLU 101 CO 0.86 0.43 1.07 -1.25 -0.56 0.00 0.00 175.26 175.80 1iof s PRO 102 N -1.78 2.96 -0.14 4.30 0.04 -1.26 -0.78 135.00 138.33 1iof s PRO 102 Ca 0.11 0.71 -0.19 0.00 0.04 0.00 0.00 61.00 61.67 1iof s PRO 102 Cb -0.10 -2.01 -0.17 0.00 0.04 0.00 0.00 34.50 32.26 1iof s PRO 102 CO 0.04 -1.02 0.40 0.82 0.04 0.00 0.00 177.00 177.28 1iof h ILE 103 N -0.65 1.05 -3.53 0.56 2.04 -1.87 -3.44 117.51 111.67 1iof h ILE 103 Ca -0.45 -1.89 -0.59 0.00 1.00 0.00 0.00 64.86 62.93 1iof h ILE 103 Cb 1.23 2.09 -0.39 0.00 -0.74 0.00 0.00 36.82 39.01 1iof h ILE 103 CO 0.61 0.36 -0.77 -0.69 0.00 0.00 0.00 178.15 177.65 1iof s VAL 104 N -2.10 1.33 -0.01 1.67 1.01 -1.26 -5.09 120.40 115.95 1iof s VAL 104 Ca -0.16 -1.20 -0.34 0.00 0.00 0.00 0.00 61.98 60.28 1iof s VAL 104 Cb -0.00 -1.71 -0.12 0.00 0.00 0.00 0.00 36.38 34.55 1iof s VAL 104 CO 0.47 -0.21 1.80 -2.65 0.00 0.00 0.00 175.10 174.51 1iof n PRO 105 N 4.73 2.21 -0.68 2.72 -0.02 -1.26 -1.00 135.00 141.70 1iof n PRO 105 Ca -0.09 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1iof n PRO 105 Cb 0.44 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 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 4.13 1.60 3.91 -1.23 0.00 -1.26 -5.01 105.19 107.33 1iof n GLY 106 Ca 0.21 0.00 -0.28 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 -3.64 3.06 0.86 4.61 0.00 -0.17 -5.01 121.76 121.47 1iof s ALA 107 Ca 0.00 -0.64 -0.14 0.00 0.00 0.00 0.00 51.96 51.18 1iof s ALA 107 Cb 0.00 -2.77 -0.01 0.00 0.00 0.00 0.00 23.12 20.34 1iof s ALA 107 CO 0.00 -1.13 0.39 -2.30 0.00 0.00 0.00 175.76 172.72 1iof n PRO 108 N -2.89 -0.02 -0.05 0.00 -0.02 -1.26 -4.91 135.00 125.84 1iof n PRO 108 Ca 0.06 0.04 -0.11 0.00 -2.02 0.00 0.00 63.50 61.47 1iof n PRO 108 Cb 0.59 -1.79 0.02 0.00 -0.02 0.00 0.00 33.50 32.29 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 -1.02 1.29 -3.44 3.45 2.02 -1.95 -3.40 112.91 109.86 1iof h THR 109 Ca -0.44 -1.66 -0.07 0.00 0.77 0.00 0.00 66.41 65.00 1iof h THR 109 Cb 1.31 1.57 -0.15 0.00 -1.74 0.00 0.00 68.15 69.15 1iof h THR 109 CO 0.37 0.54 -0.20 0.00 0.37 0.00 0.00 175.52 176.59 1iof s ALA 110 N -4.20 -0.68 -0.05 6.16 0.00 -1.26 0.45 121.76 122.17 1iof s ALA 110 Ca -0.09 -0.15 0.04 0.00 0.00 0.00 0.00 51.96 51.76 1iof s ALA 110 Cb 0.11 0.50 -0.00 0.00 0.00 0.00 0.00 23.12 23.73 1iof s ALA 110 CO 0.86 -0.53 -0.17 0.71 0.00 0.00 0.00 175.76 176.64 1iof s TYR 111 N -3.35 1.74 0.41 0.00 1.51 -0.72 -4.98 117.35 111.97 1iof s TYR 111 Ca 0.00 -0.55 -0.23 0.00 -1.01 0.00 0.00 57.07 55.28 1iof s TYR 111 Cb 0.02 -1.19 -0.09 0.00 -0.11 0.00 0.00 41.96 40.59 1iof s TYR 111 CO -0.08 -0.21 1.04 -0.06 -1.11 0.00 0.00 175.55 175.13 1iof s PHE 112 N 0.17 3.26 0.50 2.71 2.99 -1.26 -1.23 117.98 125.12 1iof s PHE 112 Ca -0.07 1.64 -0.23 0.00 0.00 0.00 0.00 56.93 58.27 1iof s PHE 112 Cb -0.13 -3.09 -0.06 0.00 0.00 0.00 0.00 43.02 39.74 1iof s PHE 112 CO 0.03 -0.58 1.30 0.45 -0.00 0.00 0.00 175.22 176.41 1iof s SER 113 N -1.65 5.66 0.00 1.36 0.15 -0.07 -4.92 113.70 114.23 1iof s SER 113 Ca 0.59 2.62 0.23 0.00 0.70 0.00 0.00 55.95 60.09 1iof s SER 113 Cb -0.20 -2.63 0.26 0.00 -1.71 0.00 0.00 66.02 61.74 1iof s SER 113 CO 0.26 -1.29 1.28 0.35 1.20 0.00 0.00 173.24 175.03 1iof n THR 114 N -0.73 0.16 -1.57 6.45 -2.24 -0.33 -4.94 114.28 111.07 1iof n THR 114 Ca 0.09 -0.58 -0.32 0.00 -2.27 0.00 0.00 64.05 60.96 1iof n THR 114 Cb 0.46 1.33 0.06 0.00 -2.10 0.00 0.00 70.33 70.08 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 -1.79 3.26 -1.34 3.22 1.43 -0.98 -4.60 118.68 117.89 1iof s LEU 115 Ca 0.30 1.95 -0.17 0.00 -1.03 0.00 0.00 54.13 55.19 1iof s LEU 115 Cb 0.20 -4.54 0.05 0.00 0.03 0.00 0.00 46.19 41.93 1iof s LEU 115 CO 0.30 -1.80 1.91 -0.81 0.23 0.00 0.00 176.35 176.17 1iof n PRO 116 N -2.82 3.01 -0.19 1.29 -0.04 -1.26 -4.83 135.00 130.15 1iof n PRO 116 Ca 0.10 -3.01 0.06 0.00 -0.04 0.00 0.00 63.50 60.61 1iof n PRO 116 Cb 0.52 -3.43 0.33 0.00 -0.04 0.00 0.00 33.50 30.89 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 5.05 1.04 0.00 0.52 3.07 -1.92 -0.56 117.51 124.71 1iof h ILE 117 Ca 0.48 -0.27 -0.16 0.00 1.55 0.00 0.00 64.86 66.46 1iof h ILE 117 Cb 0.79 0.17 -0.02 0.00 -0.27 0.00 0.00 36.82 37.49 1iof h ILE 117 CO 1.60 0.15 -0.75 0.11 -1.05 0.00 0.00 178.15 178.21 1iof h LYS 118 N 0.80 0.00 0.10 0.16 1.79 -1.99 -1.54 116.57 115.89 1iof h LYS 118 Ca 0.31 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.49 1iof h LYS 118 Cb 0.21 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.89 1iof h LYS 118 CO -0.10 0.75 -1.20 0.87 -1.08 0.00 0.00 179.45 178.69 1iof h LYS 119 N 0.00 0.64 -0.31 3.15 1.57 -1.66 -1.86 116.57 118.09 1iof h LYS 119 Ca -0.01 -0.82 0.05 0.00 -1.87 0.00 0.00 60.65 58.00 1iof h LYS 119 Cb 1.39 0.26 -0.05 0.00 0.08 0.00 0.00 32.23 33.91 1iof h LYS 119 CO 0.10 1.37 0.02 0.82 -0.57 0.00 0.00 179.45 181.19 1iof h ILE 120 N 0.29 0.81 -0.24 1.86 2.04 -1.12 -1.87 117.51 119.27 1iof h ILE 120 Ca -0.18 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1iof h ILE 120 Cb 1.87 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 1iof h ILE 120 CO 0.23 0.02 0.16 -0.03 0.00 0.00 0.00 178.15 178.53 1iof h MET 121 N 0.12 0.32 -0.40 2.37 4.05 -1.29 -1.48 114.93 118.63 1iof h MET 121 Ca 0.15 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.54 1iof h MET 121 Cb 0.18 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.89 1iof h MET 121 CO -0.23 0.23 0.25 -0.22 0.23 0.00 0.00 176.91 177.17 1iof h LYS 122 N 0.32 0.53 0.08 0.39 3.11 -0.99 -1.86 116.57 118.14 1iof h LYS 122 Ca 0.09 -0.04 -0.21 0.00 -2.81 0.00 0.00 60.65 57.68 1iof h LYS 122 Cb -0.02 -0.12 0.02 0.00 -1.00 0.00 0.00 32.23 31.12 1iof h LYS 122 CO -0.02 0.36 -0.88 -0.22 -2.81 0.00 0.00 179.45 175.89 1iof h LYS 123 N 0.54 0.45 -0.51 1.90 1.63 -0.89 -1.54 116.57 118.14 1iof h LYS 123 Ca 0.14 -0.59 0.09 0.00 -0.85 0.00 0.00 60.65 59.44 1iof h LYS 123 Cb -0.04 0.19 -0.07 0.00 -0.60 0.00 0.00 32.23 31.71 1iof h LYS 123 CO -0.03 1.24 0.10 -0.07 -3.45 0.00 0.00 179.45 177.24 1iof h LEU 124 N -0.06 -0.01 -1.13 5.20 3.38 -1.15 -0.61 115.31 120.94 1iof h LEU 124 Ca -0.13 0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1iof h LEU 124 Cb 1.61 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 42.44 1iof h LEU 124 CO 0.17 0.02 0.59 0.45 0.09 0.00 0.00 178.44 179.76 1iof h HIS 125 N 0.24 1.09 -0.30 1.13 3.86 -1.15 -0.62 115.15 119.39 1iof h HIS 125 Ca 0.26 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.46 1iof h HIS 125 Cb 0.36 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 1iof h HIS 125 CO -0.23 0.64 0.02 0.93 0.86 0.00 0.00 177.93 180.14 1iof h GLU 126 N 1.13 0.45 -0.25 2.45 5.08 -0.09 -1.33 114.58 122.02 1iof h GLU 126 Ca 0.36 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1iof h GLU 126 Cb 0.01 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1iof h GLU 126 CO -0.11 0.46 0.00 0.54 -1.00 0.00 0.00 179.01 178.91 1iof n ARG 127 N -4.32 1.48 -2.19 2.33 5.12 -0.52 -4.92 116.66 113.63 1iof n ARG 127 Ca 0.01 -0.68 -0.15 0.00 -1.93 0.00 0.00 57.85 55.10 1iof n ARG 127 Cb 0.21 -1.19 -0.01 0.00 -1.16 0.00 0.00 32.46 30.30 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 0.74 -0.05 3.53 -0.13 0.00 -0.50 -4.99 105.19 103.78 1iof n GLY 128 Ca 0.06 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.74 4.99 0.20 -0.61 1.01 -0.35 -4.99 121.20 118.70 1iof s ILE 129 Ca 0.00 -0.04 -0.31 0.00 0.00 0.00 0.00 60.65 60.30 1iof s ILE 129 Cb 0.00 -3.42 -0.10 0.00 0.01 0.00 0.00 42.46 38.95 1iof s ILE 129 CO 0.00 0.21 1.57 -2.16 0.00 0.00 0.00 174.94 174.56 1iof s PRO 130 N 1.70 4.20 -0.07 2.79 0.04 -1.26 -3.55 135.00 138.84 1iof s PRO 130 Ca 0.06 2.40 -0.19 0.00 0.04 0.00 0.00 61.00 63.32 1iof s PRO 130 Cb -0.16 -3.12 0.04 0.00 0.04 0.00 0.00 34.50 31.30 1iof s PRO 130 CO 0.09 -0.60 0.44 0.00 0.04 0.00 0.00 177.00 176.97 1iof s ALA 131 N 0.84 -1.12 0.26 8.56 0.00 -1.26 -1.63 121.76 127.41 1iof s ALA 131 Ca 0.68 0.87 -0.06 0.00 0.00 0.00 0.00 51.96 53.45 1iof s ALA 131 Cb -0.45 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 1iof s ALA 131 CO 0.35 -0.27 0.36 1.52 0.00 0.00 0.00 175.76 177.72 1iof s TYR 132 N -0.78 0.83 -0.23 0.00 -0.85 0.69 -4.91 117.35 112.10 1iof s TYR 132 Ca -0.09 -1.10 -0.14 0.00 -0.52 0.00 0.00 57.07 55.23 1iof s TYR 132 Cb -0.03 -0.15 -0.04 0.00 0.38 0.00 0.00 41.96 42.11 1iof s TYR 132 CO 0.04 -0.90 0.30 0.42 -1.52 0.00 0.00 175.55 173.89 1iof s ILE 133 N -3.84 5.26 0.03 -3.49 1.01 -1.26 -0.55 121.20 118.36 1iof s ILE 133 Ca 0.30 0.47 -0.01 0.00 0.00 0.00 0.00 60.65 61.42 1iof s ILE 133 Cb 0.02 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 1iof s ILE 133 CO 0.13 0.27 0.18 -0.55 0.00 0.00 0.00 174.94 174.97 1iof s SER 134 N 1.16 6.26 -0.01 3.58 0.15 -0.12 -4.87 113.70 119.85 1iof s SER 134 Ca 0.14 0.28 0.15 0.00 0.70 0.00 0.00 55.95 57.21 1iof s SER 134 Cb -0.14 -1.92 0.43 0.00 -1.71 0.00 0.00 66.02 62.67 1iof s SER 134 CO 0.07 0.22 1.36 0.59 1.20 0.00 0.00 173.24 176.68 1iof n ASN 135 N 0.66 3.33 -3.73 5.45 5.03 -1.26 -1.31 115.26 123.43 1iof n ASN 135 Ca -0.08 -2.04 -0.12 0.00 0.87 0.00 0.00 54.58 53.20 1iof n ASN 135 Cb 0.52 -0.33 -0.11 0.00 -1.02 0.00 0.00 39.78 38.84 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 -1.02 -0.39 0.00 6.41 0.15 -1.26 -4.70 113.70 112.89 1iof s SER 136 Ca 0.33 0.72 0.18 0.00 0.70 0.00 0.00 55.95 57.88 1iof s SER 136 Cb 0.17 0.66 0.50 0.00 -1.71 0.00 0.00 66.02 65.64 1iof s SER 136 CO 0.21 -0.15 1.41 0.00 1.20 0.00 0.00 173.24 175.91 1iof n ALA 137 N 3.62 2.31 0.00 5.45 0.00 -1.26 -5.02 120.51 125.61 1iof n ALA 137 Ca -0.19 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.04 1iof n ALA 137 Cb 0.56 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.28 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 1.21 -2.59 2.32 0.00 0.00 -1.26 -3.93 105.19 100.94 1iof n GLY 138 Ca 0.19 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 0.69 0.00 0.99 4.77 -1.26 -4.63 117.00 117.55 1iof n LEU 139 Ca 0.00 -2.71 0.00 0.00 -0.03 0.00 0.00 56.01 53.27 1iof n LEU 139 Cb 0.00 0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1iof n LEU 139 CO 0.00 1.06 0.00 0.00 -1.33 0.00 0.00 177.39 177.12 1iof n TYR 140 N -0.44 0.00 0.23 -1.77 9.36 -1.26 -0.84 117.16 122.44 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 0.89 0.00 0.69 0.00 -0.63 0.00 0.00 39.34 40.29 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 0.00 -0.08 2.98 3.38 -1.97 -2.03 115.31 117.58 1iof h LEU 141 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1iof h LEU 141 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1iof h LEU 141 CO 0.00 0.00 0.01 0.00 0.09 0.00 0.00 178.44 178.54 1iof h ASN 143 N -0.12 0.68 -0.36 0.00 -1.24 -1.64 -2.19 115.58 110.71 1iof h ASN 143 Ca 0.02 -0.33 0.07 0.00 0.71 0.00 0.00 56.30 56.77 1iof h ASN 143 Cb 0.30 -0.18 -0.09 0.00 0.73 0.00 0.00 38.32 39.08 1iof h ASN 143 CO 0.00 0.85 -0.37 0.22 -1.29 0.00 0.00 177.43 176.84 1iof h TYR 144 N 0.49 -1.04 0.00 0.67 3.20 -1.18 0.14 116.97 119.24 1iof h TYR 144 Ca 0.10 0.06 -0.11 0.00 3.14 0.00 0.00 58.73 61.92 1iof h TYR 144 Cb 0.53 0.51 -0.02 0.00 1.54 0.00 0.00 36.73 39.29 1iof h TYR 144 CO 0.04 -0.41 -0.52 -0.39 -1.64 0.00 0.00 178.16 175.24 1iof h VAL 145 N -0.31 1.10 -0.23 1.81 -1.51 -1.30 -0.82 116.25 114.98 1iof h VAL 145 Ca 0.15 -2.00 -0.06 0.00 -1.23 0.00 0.00 66.70 63.55 1iof h VAL 145 Cb 0.56 2.17 -0.01 0.00 -2.13 0.00 0.00 31.29 31.88 1iof h VAL 145 CO -0.52 0.51 -0.12 -0.03 -1.23 0.00 0.00 177.57 176.18 1iof h MET 146 N 0.00 0.37 0.03 5.19 1.85 -0.71 -1.33 114.93 120.33 1iof h MET 146 Ca -0.01 -0.09 -0.00 0.00 -0.61 0.00 0.00 59.70 58.99 1iof h MET 146 Cb 1.13 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 33.12 1iof h MET 146 CO 0.07 0.49 -0.02 -0.92 -0.40 0.00 0.00 176.91 176.14 1iof h TYR 147 N 0.35 -0.04 -0.97 1.39 3.20 -0.10 -2.89 116.97 117.91 1iof h TYR 147 Ca 0.07 -0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.13 1iof h TYR 147 Cb 0.43 0.01 -0.09 0.00 1.54 0.00 0.00 36.73 38.62 1iof h TYR 147 CO 0.01 0.64 0.61 -0.07 -1.64 0.00 0.00 178.16 177.71 1iof h LEU 148 N -0.91 0.63 -0.10 2.82 3.38 -1.11 0.18 115.31 120.21 1iof h LEU 148 Ca -0.00 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1iof h LEU 148 Cb 0.69 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1iof h LEU 148 CO 0.01 0.24 -0.14 -1.28 0.09 0.00 0.00 178.44 177.36 1iof h SER 149 N 0.63 0.31 1.29 -0.43 0.87 -1.31 -0.87 113.55 114.03 1iof h SER 149 Ca 0.53 -0.52 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 1iof h SER 149 Cb 1.00 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1iof h SER 149 CO -0.29 0.76 -0.12 -0.07 -0.53 0.00 0.00 176.83 176.59 1iof h LEU 150 N -0.14 0.00 0.16 2.23 3.38 -1.16 -1.11 115.31 118.67 1iof h LEU 150 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1iof h LEU 150 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1iof h LEU 150 CO 0.03 0.12 -0.08 -0.74 0.09 0.00 0.00 178.44 177.87 1iof h HIS 151 N 0.00 -0.20 -0.99 1.13 2.76 -0.56 -1.81 115.15 115.49 1iof h HIS 151 Ca -0.00 -0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.35 1iof h HIS 151 Cb 0.80 0.06 -0.10 0.00 1.55 0.00 0.00 27.41 29.72 1iof h HIS 151 CO 0.00 0.19 0.61 1.25 -1.30 0.00 0.00 177.93 178.69 1iof h HIS 152 N -0.64 1.00 -0.47 5.26 6.17 -0.92 -0.32 115.15 125.23 1iof h HIS 152 Ca -0.02 0.03 -0.03 0.00 0.71 0.00 0.00 60.37 61.06 1iof h HIS 152 Cb 0.48 -0.31 -0.02 0.00 2.52 0.00 0.00 27.41 30.08 1iof h HIS 152 CO 0.05 0.26 0.17 1.03 0.71 0.00 0.00 177.93 180.15 1iof h SER 153 N 0.75 0.67 -0.10 3.26 0.87 -1.00 -0.63 113.55 117.37 1iof h SER 153 Ca 0.55 -0.19 -0.13 0.00 -1.23 0.00 0.00 61.79 60.79 1iof h SER 153 Cb 0.88 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 1iof h SER 153 CO -0.33 0.67 -0.39 0.00 -0.53 0.00 0.00 176.83 176.25 1iof h ALA 154 N 1.02 0.82 0.03 6.23 0.00 -0.30 -1.40 119.26 125.66 1iof h ALA 154 Ca 0.16 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1iof h ALA 154 Cb 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1iof h ALA 154 CO -0.01 0.65 -0.01 1.15 0.00 0.00 0.00 179.25 181.02 1iof h THR 155 N 0.51 0.10 -0.01 0.00 2.02 -1.08 -3.39 112.91 111.05 1iof h THR 155 Ca 0.05 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 66.18 1iof h THR 155 Cb 0.90 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1iof h THR 155 CO 0.08 0.03 -0.29 0.29 0.37 0.00 0.00 175.52 176.00 1iof n LYS 156 N -4.80 1.09 0.00 6.66 4.76 -0.25 -4.97 118.16 120.66 1iof n LYS 156 Ca -0.01 -0.75 0.00 0.00 -2.87 0.00 0.00 58.31 54.68 1iof n LYS 156 Cb 0.04 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.75 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 1.35 2.95 3.15 0.72 0.00 -0.53 -4.99 105.19 107.83 1iof n GLY 157 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.92 0.92 0.80 1.61 -0.85 -1.26 -4.40 117.35 112.25 1iof s TYR 158 Ca 0.00 -0.68 -0.12 0.00 -0.52 0.00 0.00 57.07 55.75 1iof s TYR 158 Cb 0.00 -0.52 0.08 0.00 0.38 0.00 0.00 41.96 41.89 1iof s TYR 158 CO 0.00 -0.06 1.15 -1.25 -1.52 0.00 0.00 175.55 173.87 1iof s PRO 159 N -2.73 1.85 0.15 -3.49 0.04 -1.25 -3.64 135.00 125.92 1iof s PRO 159 Ca 0.03 1.51 0.10 0.00 0.04 0.00 0.00 61.00 62.68 1iof s PRO 159 Cb -0.03 -1.82 -0.14 0.00 0.04 0.00 0.00 34.50 32.55 1iof s PRO 159 CO -0.01 -2.00 1.25 0.87 0.04 0.00 0.00 177.00 177.15 1iof h LYS 160 N -1.00 0.00 -5.51 4.56 1.57 -0.87 -3.42 116.57 111.90 1iof h LYS 160 Ca -0.45 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 57.73 1iof h LYS 160 Cb 1.27 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.26 1iof h LYS 160 CO 0.48 0.80 -0.85 -1.64 -0.57 0.00 0.00 179.45 177.66 1iof s MET 161 N -2.77 1.99 0.05 3.15 -1.94 -0.82 -4.97 119.30 113.98 1iof s MET 161 Ca 0.01 -0.69 -0.06 0.00 -1.71 0.00 0.00 55.69 53.24 1iof s MET 161 Cb 0.09 -1.72 -0.01 0.00 2.01 0.00 0.00 34.83 35.20 1iof s MET 161 CO 0.80 0.29 0.12 0.45 -0.01 0.00 0.00 175.02 176.66 1iof s SER 162 N -0.03 0.17 0.00 3.03 0.15 -1.26 -1.42 113.70 114.34 1iof s SER 162 Ca -0.03 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.06 1iof s SER 162 Cb -0.12 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 1iof s SER 162 CO 0.02 -0.56 0.00 0.61 1.20 0.00 0.00 173.24 174.52 1iof n GLY 163 N 0.57 0.54 2.98 9.45 0.00 -1.21 -1.19 105.19 116.32 1iof n GLY 163 Ca -0.18 -0.88 -0.17 0.00 0.00 0.00 0.00 46.02 44.79 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 0.58 -0.09 1.61 2.19 -1.26 -1.01 117.98 118.00 1iof s PHE 164 Ca 0.00 -0.11 0.02 0.00 0.33 0.00 0.00 56.93 57.17 1iof s PHE 164 Cb 0.00 -0.37 0.01 0.00 -1.31 0.00 0.00 43.02 41.35 1iof s PHE 164 CO 0.00 -0.01 -0.14 0.42 1.83 0.00 0.00 175.22 177.32 1iof s ILE 165 N -0.14 1.35 -0.05 3.12 1.01 0.39 -1.91 121.20 124.95 1iof s ILE 165 Ca 0.02 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 1iof s ILE 165 Cb -0.03 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 1iof s ILE 165 CO -0.00 0.41 0.02 -1.00 0.00 0.00 0.00 174.94 174.37 1iof s HIS 166 N 0.85 3.19 0.08 3.97 3.76 -0.02 -0.77 115.29 126.35 1iof s HIS 166 Ca -0.10 0.19 0.10 0.00 -0.15 0.00 0.00 55.06 55.10 1iof s HIS 166 Cb -0.15 -1.76 -0.03 0.00 1.11 0.00 0.00 32.58 31.74 1iof s HIS 166 CO 0.01 0.50 -0.26 0.14 -0.85 0.00 0.00 174.74 174.28 1iof s VAL 167 N -0.99 2.13 1.39 -0.90 -7.23 0.77 -1.62 120.40 113.95 1iof s VAL 167 Ca 0.16 -1.53 -0.21 0.00 -1.81 0.00 0.00 61.98 58.59 1iof s VAL 167 Cb -0.12 -1.86 0.36 0.00 0.56 0.00 0.00 36.38 35.33 1iof s VAL 167 CO 0.06 0.23 0.94 -2.84 -0.31 0.00 0.00 175.10 173.18 1iof s PRO 168 N -1.59 -2.70 0.73 4.82 0.02 -1.26 -0.79 135.00 134.24 1iof s PRO 168 Ca 0.12 0.26 -0.14 0.00 0.02 0.00 0.00 61.00 61.27 1iof s PRO 168 Cb -0.10 -1.39 0.04 0.00 0.02 0.00 0.00 34.50 33.07 1iof s PRO 168 CO 0.04 -4.75 1.15 0.71 -0.33 0.00 0.00 177.00 173.81 1iof s TYR 169 N -2.28 2.28 0.23 6.54 2.02 -1.26 -4.68 117.35 120.21 1iof s TYR 169 Ca 0.69 1.60 -0.04 0.00 -0.37 0.00 0.00 57.07 58.95 1iof s TYR 169 Cb -0.15 -3.28 -0.05 0.00 -0.40 0.00 0.00 41.96 38.08 1iof s TYR 169 CO 0.59 -2.17 0.47 0.96 -1.57 0.00 0.00 175.55 173.83 1iof s ILE 170 N -2.34 5.10 0.26 2.71 -4.36 -1.26 -0.76 121.20 120.56 1iof s ILE 170 Ca 0.69 -0.05 -0.01 0.00 -0.26 0.00 0.00 60.65 61.02 1iof s ILE 170 Cb -0.23 -3.71 0.26 0.00 1.25 0.00 0.00 42.46 40.03 1iof s ILE 170 CO 0.47 -0.20 1.70 -0.65 0.24 0.00 0.00 174.94 176.50 1iof h PRO 171 N 2.04 0.34 0.00 0.37 0.11 -1.93 0.47 132.00 133.41 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 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1iof h PRO 171 CO 0.68 0.23 0.06 1.05 -0.21 0.00 0.00 178.00 179.81 1iof h GLU 172 N 0.35 0.00 0.00 1.05 4.11 -1.95 0.35 114.58 118.50 1iof h GLU 172 Ca 0.47 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.72 1iof h GLU 172 Cb 0.83 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 1iof h GLU 172 CO -0.50 0.00 -1.10 1.96 0.07 0.00 0.00 179.01 179.43 1iof h GLN 173 N 0.00 0.00 0.00 1.06 4.20 -1.29 -3.34 115.11 115.75 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 0.12 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1iof h GLN 173 CO 0.00 0.54 -0.25 0.82 -0.67 0.00 0.00 178.83 179.27 1iof h ILE 174 N 0.00 0.88 0.00 2.54 1.08 -0.99 -3.33 117.51 117.69 1iof h ILE 174 Ca -0.10 -0.97 0.00 0.00 -0.39 0.00 0.00 64.86 63.40 1iof h ILE 174 Cb 1.64 1.57 0.00 0.00 -3.07 0.00 0.00 36.82 36.96 1iof h ILE 174 CO 0.08 0.25 0.00 0.16 -0.69 0.00 0.00 178.15 177.94 1iof h ILE 175 N 0.00 0.00 -0.01 -0.67 -0.00 -1.68 -0.71 117.51 114.44 1iof h ILE 175 Ca -0.00 -0.62 0.00 0.00 -0.00 0.00 0.00 64.86 64.24 1iof h ILE 175 Cb 0.55 1.57 0.00 0.00 -0.00 0.00 0.00 36.82 38.95 1iof h ILE 175 CO 0.03 0.00 -0.41 -0.90 -0.00 0.00 0.00 178.15 176.88 1iof n ASP 176 N -2.84 0.96 0.07 2.16 5.68 -1.25 -3.41 116.55 117.92 1iof n ASP 176 Ca 0.03 -0.76 -0.07 0.00 -0.50 0.00 0.00 54.79 53.48 1iof n ASP 176 Cb 0.38 0.26 -0.10 0.00 -1.14 0.00 0.00 41.12 40.53 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 0.86 0.02 -0.84 0.11 1.79 -1.32 -3.14 116.57 114.06 1iof h LYS 177 Ca 0.00 -0.04 0.12 0.00 -2.18 0.00 0.00 60.65 58.55 1iof h LYS 177 Cb 0.53 0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 31.11 1iof h LYS 177 CO 0.00 0.99 0.46 0.82 -1.08 0.00 0.00 179.45 180.64 1iof h ILE 178 N 0.01 0.83 -0.64 1.86 2.04 -0.88 -0.51 117.51 120.22 1iof h ILE 178 Ca -0.02 -0.25 0.13 0.00 1.00 0.00 0.00 64.86 65.72 1iof h ILE 178 Cb 1.73 0.04 -0.10 0.00 -0.74 0.00 0.00 36.82 37.75 1iof h ILE 178 CO 0.13 0.13 0.11 1.23 0.00 0.00 0.00 178.15 179.76 1iof h GLY 179 N 0.72 0.80 -2.42 5.37 0.00 -1.68 -1.18 103.07 104.69 1iof h GLY 179 Ca 0.43 -0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.66 1iof h GLY 179 CO -0.30 -0.15 0.11 0.28 0.00 0.00 0.00 176.54 176.48 1iof n LYS 180 N -5.17 1.22 -2.51 4.80 4.76 -0.34 -4.74 118.16 116.18 1iof n LYS 180 Ca 0.10 -0.51 -0.19 0.00 -2.87 0.00 0.00 58.31 54.84 1iof n LYS 180 Cb 0.36 -1.20 0.00 0.00 -1.84 0.00 0.00 35.03 32.35 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 0.31 -0.41 3.05 0.72 0.00 -0.45 -5.01 105.19 103.39 1iof n GLY 181 Ca 0.10 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 -5.11 0.22 -0.55 1.61 -0.44 -0.38 -5.00 119.66 110.00 1iof s GLN 182 Ca 0.07 0.16 0.04 0.00 -2.50 0.00 0.00 55.36 53.13 1iof s GLN 182 Cb -0.03 0.10 0.15 0.00 -1.64 0.00 0.00 33.01 31.59 1iof s GLN 182 CO 0.09 -0.03 0.34 0.54 0.50 0.00 0.00 175.29 176.73 1iof s VAL 183 N -0.08 2.07 0.67 1.34 0.11 -1.26 -1.25 120.40 122.01 1iof s VAL 183 Ca -0.02 -3.34 -0.16 0.00 -2.93 0.00 0.00 61.98 55.54 1iof s VAL 183 Cb -0.02 -2.41 0.01 0.00 -1.53 0.00 0.00 36.38 32.43 1iof s VAL 183 CO 0.00 -0.95 1.15 -2.16 -3.33 0.00 0.00 175.10 169.82 1iof s PRO 184 N -0.46 2.62 0.96 1.54 0.04 -1.26 -5.03 135.00 133.41 1iof s PRO 184 Ca 0.22 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 62.73 1iof s PRO 184 Cb -0.15 -1.91 0.16 0.00 0.04 0.00 0.00 34.50 32.64 1iof s PRO 184 CO -0.08 -1.43 1.05 -2.30 0.04 0.00 0.00 177.00 174.29 1iof n PRO 185 N -2.37 -0.74 -3.88 0.56 -0.02 -1.26 -4.95 135.00 122.35 1iof n PRO 185 Ca 0.12 -0.16 -0.09 0.00 -2.02 0.00 0.00 63.50 61.35 1iof n PRO 185 Cb 0.51 -2.30 -0.05 0.00 -0.02 0.00 0.00 33.50 31.64 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 -2.54 -0.12 -0.01 2.55 1.04 -1.26 -4.17 113.70 109.19 1iof s SER 186 Ca 0.66 -0.72 -0.01 0.00 0.48 0.00 0.00 55.95 56.36 1iof s SER 186 Cb -0.23 0.53 -0.00 0.00 0.10 0.00 0.00 66.02 66.42 1iof s SER 186 CO 0.60 -1.02 0.02 -0.32 0.98 0.00 0.00 173.24 173.50 1iof s MET 187 N -3.94 0.09 0.30 4.02 1.75 0.07 -4.91 119.30 116.68 1iof s MET 187 Ca 0.15 -0.08 -0.27 0.00 -1.25 0.00 0.00 55.69 54.24 1iof s MET 187 Cb 0.00 0.04 -0.09 0.00 2.84 0.00 0.00 34.83 37.62 1iof s MET 187 CO 0.01 -0.02 0.99 0.00 -0.65 0.00 0.00 175.02 175.36 1iof h TYR 189 N 3.46 0.35 -0.01 0.00 3.20 -1.97 0.35 116.97 122.35 1iof h TYR 189 Ca -0.47 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.42 1iof h TYR 189 Cb 1.20 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.47 1iof h TYR 189 CO 0.60 -0.33 -0.20 0.93 -1.64 0.00 0.00 178.16 177.52 1iof h GLU 190 N 0.11 0.02 0.02 1.82 3.07 -1.99 -0.08 114.58 117.55 1iof h GLU 190 Ca 0.64 -0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 59.28 1iof h GLU 190 Cb 1.41 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.30 1iof h GLU 190 CO -0.76 0.22 -0.98 1.98 -1.40 0.00 0.00 179.01 178.07 1iof h MET 191 N 0.02 0.10 0.22 2.33 4.05 -0.69 -1.90 114.93 119.06 1iof h MET 191 Ca 0.00 -0.14 -0.01 0.00 -0.28 0.00 0.00 59.70 59.27 1iof h MET 191 Cb 0.37 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.22 1iof h MET 191 CO 0.03 0.99 -0.11 0.93 0.23 0.00 0.00 176.91 178.98 1iof h GLU 192 N 0.04 -0.29 -0.44 0.39 5.08 -0.77 -0.75 114.58 117.85 1iof h GLU 192 Ca -0.04 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1iof h GLU 192 Cb 1.67 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.94 1iof h GLU 192 CO 0.14 0.04 0.19 1.25 -1.00 0.00 0.00 179.01 179.63 1iof h LEU 193 N -0.63 0.25 -1.38 1.33 5.85 -1.12 -1.68 115.31 117.93 1iof h LEU 193 Ca -0.03 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.80 1iof h LEU 193 Cb 0.45 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 1iof h LEU 193 CO 0.05 0.18 0.48 -0.08 -0.34 0.00 0.00 178.44 178.73 1iof h GLU 194 N 0.39 0.72 -0.29 1.25 4.57 -1.24 -0.66 114.58 119.32 1iof h GLU 194 Ca 0.20 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.28 1iof h GLU 194 Cb 0.14 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 1iof h GLU 194 CO -0.17 0.48 -0.02 0.00 -1.18 0.00 0.00 179.01 178.12 1iof h ALA 195 N 1.61 0.39 0.00 2.92 0.00 -0.24 0.29 119.26 124.23 1iof h ALA 195 Ca 0.32 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1iof h ALA 195 Cb 0.30 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1iof h ALA 195 CO -0.11 0.15 -0.25 -0.24 0.00 0.00 0.00 179.25 178.80 1iof h VAL 196 N 0.30 0.50 -0.43 0.00 3.04 -0.72 -1.75 116.25 117.20 1iof h VAL 196 Ca 0.08 -1.40 -0.07 0.00 -1.01 0.00 0.00 66.70 64.30 1iof h VAL 196 Cb 0.46 2.00 -0.02 0.00 -2.01 0.00 0.00 31.29 31.73 1iof h VAL 196 CO 0.02 0.25 -0.01 0.11 -1.01 0.00 0.00 177.57 176.92 1iof h LYS 197 N 0.00 0.76 0.00 4.17 1.57 -0.83 -2.02 116.57 120.22 1iof h LYS 197 Ca -0.00 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1iof h LYS 197 Cb 0.98 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.23 1iof h LYS 197 CO 0.03 0.84 -0.02 0.28 -0.57 0.00 0.00 179.45 180.02 1iof h VAL 198 N 0.60 0.90 -0.04 0.50 2.07 -0.65 -1.50 116.25 118.13 1iof h VAL 198 Ca 0.12 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 1iof h VAL 198 Cb 0.51 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1iof h VAL 198 CO 0.02 0.02 -0.04 0.00 0.02 0.00 0.00 177.57 177.60 1iof h ALA 199 N 1.98 0.06 -0.44 1.67 0.00 -0.90 -1.37 119.26 120.26 1iof h ALA 199 Ca -0.00 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.72 1iof h ALA 199 Cb 0.04 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1iof h ALA 199 CO 0.00 -0.17 0.11 0.82 0.00 0.00 0.00 179.25 180.02 1iof h ILE 200 N -0.33 0.80 -0.54 0.00 2.04 -1.06 0.21 117.51 118.62 1iof h ILE 200 Ca 0.01 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 1iof h ILE 200 Cb 0.51 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1iof h ILE 200 CO 0.01 0.05 0.18 -0.33 0.00 0.00 0.00 178.15 178.06 1iof h GLU 201 N 0.26 0.84 0.00 2.37 5.08 -1.23 0.24 114.58 122.14 1iof h GLU 201 Ca 0.21 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1iof h GLU 201 Cb 0.24 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1iof h GLU 201 CO -0.25 0.76 -0.36 -0.39 -1.00 0.00 0.00 179.01 177.77 1iof h VAL 202 N 0.75 0.09 -0.01 3.13 -1.51 -0.70 -2.35 116.25 115.65 1iof h VAL 202 Ca 0.18 -1.14 -0.00 0.00 -1.23 0.00 0.00 66.70 64.51 1iof h VAL 202 Cb 0.27 1.90 -0.00 0.00 -2.13 0.00 0.00 31.29 31.33 1iof h VAL 202 CO -0.01 0.05 0.00 0.00 -1.23 0.00 0.00 177.57 176.39 1iof h ALA 203 N 1.94 0.02 -0.88 5.19 0.00 -0.73 -2.74 119.26 122.05 1iof h ALA 203 Ca -0.01 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.90 1iof h ALA 203 Cb 1.05 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 1iof h ALA 203 CO 0.01 -0.38 0.53 -0.07 0.00 0.00 0.00 179.25 179.33 1iof h LEU 204 N -0.17 0.79 -0.46 0.00 3.38 -0.87 0.25 115.31 118.23 1iof h LEU 204 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1iof h LEU 204 Cb 0.19 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1iof h LEU 204 CO -0.00 0.46 0.00 1.21 0.09 0.00 0.00 178.44 180.20 1iof n GLU 205 N -4.67 0.10 -0.10 1.13 2.13 -0.89 -2.90 120.64 115.44 1iof n GLU 205 Ca 0.15 0.39 -0.18 0.00 0.66 0.00 0.00 57.16 58.17 1iof n GLU 205 Cb 0.26 -1.71 -0.13 0.00 0.27 0.00 0.00 31.44 30.14 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 -1.90 0.68 -1.25 5.31 4.07 -0.04 -4.63 120.64 122.87 1iof n GLU 206 Ca 0.02 0.17 -0.36 0.00 -0.06 0.00 0.00 57.16 56.93 1iof n GLU 206 Cb 0.17 -1.57 -0.02 0.00 -0.06 0.00 0.00 31.44 29.96 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 -3.27 7.23 0.00 4.31 -0.00 -0.50 -5.12 117.00 119.65 1iof n LEU 207 Ca -0.42 -3.89 0.00 0.00 -0.00 0.00 0.00 56.01 51.71 1iof n LEU 207 Cb 1.01 -1.44 0.00 0.00 -0.00 0.00 0.00 43.42 42.99 1iof n LEU 207 CO 0.31 1.40 0.00 0.18 -0.00 0.00 0.00 177.39 179.28