#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iyh s ASN 3 N 0.00 6.74 -0.05 2.55 0.02 -1.26 -4.94 114.94 118.00 1iyh s ASN 3 Ca 0.00 0.88 0.06 0.00 -1.02 0.00 0.00 52.86 52.78 1iyh s ASN 3 Cb 0.00 -2.31 -0.02 0.00 0.02 0.00 0.00 41.25 38.94 1iyh s ASN 3 CO 0.00 -0.03 -0.21 -0.31 0.02 0.00 0.00 177.10 176.57 1iyh s TYR 4 N 0.68 2.51 -0.16 2.20 1.51 -1.26 -1.48 117.35 121.35 1iyh s TYR 4 Ca 0.28 -0.45 -0.04 0.00 -1.01 0.00 0.00 57.07 55.85 1iyh s TYR 4 Cb -0.16 -1.59 0.05 0.00 -0.11 0.00 0.00 41.96 40.15 1iyh s TYR 4 CO 0.12 -0.04 0.06 0.21 -1.11 0.00 0.00 175.55 174.79 1iyh s LYS 5 N -0.44 0.31 -0.16 -0.62 2.20 -0.51 -1.51 119.74 119.00 1iyh s LYS 5 Ca 0.05 -0.14 -0.14 0.00 -0.36 0.00 0.00 55.97 55.38 1iyh s LYS 5 Cb -0.12 -1.71 -0.05 0.00 -1.51 0.00 0.00 37.83 34.44 1iyh s LYS 5 CO 0.01 -0.59 0.31 -1.17 -0.36 0.00 0.00 175.35 173.56 1iyh s LEU 6 N 2.03 4.24 -0.14 5.43 2.96 0.00 -0.79 118.68 132.42 1iyh s LEU 6 Ca 0.02 0.54 0.02 0.00 -0.22 0.00 0.00 54.13 54.49 1iyh s LEU 6 Cb -0.16 -2.41 0.01 0.00 0.50 0.00 0.00 46.19 44.13 1iyh s LEU 6 CO -0.08 0.08 -0.22 -0.89 -1.32 0.00 0.00 176.35 173.93 1iyh s THR 7 N 0.52 2.13 0.34 3.68 2.01 -0.80 -0.22 115.64 123.29 1iyh s THR 7 Ca 0.17 -0.96 -0.17 0.00 0.31 0.00 0.00 61.69 61.04 1iyh s THR 7 Cb -0.13 -1.85 0.06 0.00 0.01 0.00 0.00 72.50 70.59 1iyh s THR 7 CO 0.05 0.55 0.86 -0.47 -0.69 0.00 0.00 174.62 174.91 1iyh s TYR 8 N 0.74 0.13 0.91 4.92 5.04 -0.70 -2.89 117.35 125.51 1iyh s TYR 8 Ca -0.09 -0.76 -0.14 0.00 -2.44 0.00 0.00 57.07 53.65 1iyh s TYR 8 Cb -0.16 0.82 0.15 0.00 0.35 0.00 0.00 41.96 43.11 1iyh s TYR 8 CO -0.00 -1.43 1.20 -0.06 -1.34 0.00 0.00 175.55 173.92 1iyh s PHE 9 N -2.13 2.26 -1.23 4.97 0.40 -1.26 -1.33 117.98 119.67 1iyh s PHE 9 Ca 0.18 0.64 -0.16 0.00 -0.60 0.00 0.00 56.93 56.99 1iyh s PHE 9 Cb -0.04 -3.63 0.13 0.00 0.51 0.00 0.00 43.02 39.98 1iyh s PHE 9 CO 0.10 -2.35 1.53 1.21 0.70 0.00 0.00 175.22 176.41 1iyh s ASN 10 N -4.45 6.96 0.06 1.36 2.47 -1.25 -4.68 114.94 115.41 1iyh s ASN 10 Ca 0.66 -2.74 -0.27 0.00 0.42 0.00 0.00 52.86 50.93 1iyh s ASN 10 Cb -0.10 -2.47 0.09 0.00 -1.45 0.00 0.00 41.25 37.32 1iyh s ASN 10 CO 0.52 -0.92 0.98 0.00 -3.72 0.00 0.00 177.10 173.95 1iyh s MET 11 N 2.62 0.93 -0.01 0.43 0.23 -1.26 -4.94 119.30 117.31 1iyh s MET 11 Ca 0.46 -0.46 -0.08 0.00 -1.03 0.00 0.00 55.69 54.59 1iyh s MET 11 Cb -0.00 0.36 -0.05 0.00 -1.53 0.00 0.00 34.83 33.61 1iyh s MET 11 CO 0.02 -0.42 0.67 0.00 -2.03 0.00 0.00 175.02 173.26 1iyh h ARG 12 N 2.00 -0.28 0.00 3.16 3.08 -1.22 -3.45 114.38 117.67 1iyh h ARG 12 Ca -0.23 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1iyh h ARG 12 Cb 1.23 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.34 1iyh h ARG 12 CO 0.28 -0.19 0.00 0.41 -1.07 0.00 0.00 179.97 179.40 1iyh n GLY 13 N 0.18 1.45 0.03 0.04 0.00 -1.26 -1.66 105.19 103.97 1iyh n GLY 13 Ca -0.04 -0.27 0.16 0.00 0.00 0.00 0.00 46.02 45.87 1iyh n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iyh n ARG 14 N 14.00 0.87 0.03 1.61 1.74 -1.26 -3.32 116.66 130.34 1iyh n ARG 14 Ca 0.00 -0.05 0.11 0.00 -0.77 0.00 0.00 57.85 57.14 1iyh n ARG 14 Cb 0.00 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 29.88 1iyh n ARG 14 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iyh n ALA 15 N -1.02 2.97 -0.29 7.54 0.00 -0.95 -4.44 120.51 124.33 1iyh n ALA 15 Ca 0.21 -0.41 0.06 0.00 0.00 0.00 0.00 53.44 53.30 1iyh n ALA 15 Cb 0.16 -0.92 0.27 0.00 0.00 0.00 0.00 19.45 18.97 1iyh n ALA 15 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1iyh h GLU 16 N 0.00 0.92 -0.58 0.00 4.57 -1.31 -1.18 114.58 116.99 1iyh h GLU 16 Ca 0.00 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1iyh h GLU 16 Cb 0.90 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 29.26 1iyh h GLU 16 CO 0.00 0.61 0.27 0.97 -1.18 0.00 0.00 179.01 179.68 1iyh h ILE 17 N 0.94 1.20 -0.32 2.32 6.09 -1.81 0.10 117.51 126.03 1iyh h ILE 17 Ca 0.40 -0.56 -0.10 0.00 -1.37 0.00 0.00 64.86 63.24 1iyh h ILE 17 Cb 0.31 0.46 -0.01 0.00 0.47 0.00 0.00 36.82 38.05 1iyh h ILE 17 CO -0.16 0.23 -0.18 0.40 -3.07 0.00 0.00 178.15 175.37 1iyh h ILE 18 N 0.82 1.29 -0.64 2.19 2.04 -1.53 -2.36 117.51 119.33 1iyh h ILE 18 Ca 0.20 -1.29 -0.03 0.00 1.00 0.00 0.00 64.86 64.74 1iyh h ILE 18 Cb 0.10 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 1iyh h ILE 18 CO -0.03 0.42 0.28 0.03 0.00 0.00 0.00 178.15 178.86 1iyh h ARG 19 N 0.44 0.92 -0.39 2.37 3.08 -0.42 -1.58 114.38 118.79 1iyh h ARG 19 Ca 0.07 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1iyh h ARG 19 Cb 0.71 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 1iyh h ARG 19 CO 0.05 0.73 0.10 1.88 -1.07 0.00 0.00 179.97 181.65 1iyh h TYR 20 N 0.91 0.66 -0.24 3.04 -1.99 -0.71 -1.65 116.97 116.99 1iyh h TYR 20 Ca 0.22 -0.08 -0.00 0.00 2.00 0.00 0.00 58.73 60.87 1iyh h TYR 20 Cb 0.13 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 38.66 1iyh h TYR 20 CO 0.01 0.63 0.13 0.82 -0.00 0.00 0.00 178.16 179.76 1iyh h ILE 21 N 0.49 1.11 -0.78 -2.88 2.04 -1.00 0.13 117.51 116.62 1iyh h ILE 21 Ca 0.12 -0.27 0.05 0.00 1.00 0.00 0.00 64.86 65.76 1iyh h ILE 21 Cb 0.31 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 1iyh h ILE 21 CO 0.00 0.10 0.48 -0.26 0.00 0.00 0.00 178.15 178.48 1iyh h PHE 22 N 0.28 0.90 0.04 1.37 0.05 -1.22 -0.19 116.94 118.16 1iyh h PHE 22 Ca 0.08 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.90 1iyh h PHE 22 Cb 0.05 -0.29 0.00 0.00 2.00 0.00 0.00 35.95 37.71 1iyh h PHE 22 CO -0.04 0.48 -0.02 0.00 -0.18 0.00 0.00 178.31 178.55 1iyh h ALA 23 N 1.35 -0.06 -0.64 2.45 0.00 -0.85 -0.63 119.26 120.89 1iyh h ALA 23 Ca 0.33 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1iyh h ALA 23 Cb 0.10 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1iyh h ALA 23 CO -0.14 -0.46 0.39 -0.92 0.00 0.00 0.00 179.25 178.11 1iyh h TYR 24 N -0.19 0.73 -0.01 0.00 3.20 -0.37 -1.93 116.97 118.39 1iyh h TYR 24 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1iyh h TYR 24 Cb 0.17 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.21 1iyh h TYR 24 CO -0.03 0.41 0.00 1.28 -1.64 0.00 0.00 178.16 178.18 1iyh n LEU 25 N -4.72 0.48 -3.68 2.82 4.77 -0.12 -4.93 117.00 111.63 1iyh n LEU 25 Ca 0.06 -0.16 -0.23 0.00 -0.03 0.00 0.00 56.01 55.66 1iyh n LEU 25 Cb 0.09 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1iyh n LEU 25 CO 0.32 0.08 -0.07 -0.67 -1.33 0.00 0.00 177.39 175.72 1iyh n ASP 26 N -0.62 -2.18 -4.42 -1.43 4.64 -0.44 -4.99 116.55 107.12 1iyh n ASP 26 Ca 0.22 -0.85 -0.33 0.00 -1.38 0.00 0.00 54.79 52.45 1iyh n ASP 26 Cb 0.19 -3.99 -0.14 0.00 -1.04 0.00 0.00 41.12 36.14 1iyh n ASP 26 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1iyh s ILE 27 N -3.63 3.35 0.38 5.18 1.01 -0.37 -5.05 121.20 122.06 1iyh s ILE 27 Ca 0.11 -0.55 -0.25 0.00 0.00 0.00 0.00 60.65 59.96 1iyh s ILE 27 Cb -0.03 -2.43 -0.09 0.00 0.01 0.00 0.00 42.46 39.92 1iyh s ILE 27 CO 0.82 0.52 1.03 -1.10 0.00 0.00 0.00 174.94 176.20 1iyh s GLN 28 N 0.33 4.28 0.15 2.79 -1.52 -1.26 -4.68 119.66 119.75 1iyh s GLN 28 Ca -0.08 1.49 -0.24 0.00 -1.95 0.00 0.00 55.36 54.58 1iyh s GLN 28 Cb -0.15 -2.63 0.07 0.00 -0.22 0.00 0.00 33.01 30.07 1iyh s GLN 28 CO 0.05 -0.03 0.67 1.52 -0.25 0.00 0.00 175.29 177.25 1iyh s TYR 29 N -1.62 -0.45 -0.34 0.91 -0.85 -1.26 -4.64 117.35 109.10 1iyh s TYR 29 Ca 0.55 0.22 -0.18 0.00 -0.52 0.00 0.00 57.07 57.14 1iyh s TYR 29 Cb -0.22 0.58 -0.01 0.00 0.38 0.00 0.00 41.96 42.69 1iyh s TYR 29 CO 0.28 -0.85 0.53 -2.00 -1.52 0.00 0.00 175.55 171.98 1iyh s GLU 30 N -3.66 3.70 -1.09 -3.49 2.12 -0.57 -4.99 118.70 110.71 1iyh s GLU 30 Ca 0.03 -0.07 -0.15 0.00 0.36 0.00 0.00 54.97 55.15 1iyh s GLU 30 Cb -0.02 -3.78 0.17 0.00 0.26 0.00 0.00 34.13 30.76 1iyh s GLU 30 CO -0.09 -0.61 1.28 0.34 -0.54 0.00 0.00 175.26 175.64 1iyh s ASP 31 N 1.73 6.94 -0.35 -1.70 3.68 -1.26 -0.82 116.67 124.89 1iyh s ASP 31 Ca 0.20 -2.73 -0.27 0.00 2.13 0.00 0.00 52.55 51.88 1iyh s ASP 31 Cb -0.15 -2.38 0.02 0.00 -1.45 0.00 0.00 42.92 38.96 1iyh s ASP 31 CO 0.13 -0.80 0.98 -2.28 0.13 0.00 0.00 175.17 173.33 1iyh s HIS 32 N 1.65 3.10 -0.31 -5.34 5.65 0.69 -5.00 115.29 115.73 1iyh s HIS 32 Ca 0.37 0.93 -0.04 0.00 0.25 0.00 0.00 55.06 56.57 1iyh s HIS 32 Cb -0.04 -3.67 0.04 0.00 -1.18 0.00 0.00 32.58 27.72 1iyh s HIS 32 CO -0.04 -0.81 0.04 1.03 -0.65 0.00 0.00 174.74 174.31 1iyh s ARG 33 N 3.55 2.64 0.55 2.88 0.52 -1.26 -1.72 118.95 126.12 1iyh s ARG 33 Ca 0.41 -1.15 -0.06 0.00 -0.52 0.00 0.00 55.73 54.41 1iyh s ARG 33 Cb -0.12 -3.29 -0.02 0.00 0.52 0.00 0.00 34.95 32.05 1iyh s ARG 33 CO 0.18 -0.59 0.87 0.96 0.02 0.00 0.00 175.30 176.74 1iyh s ILE 34 N 1.35 4.30 0.22 1.52 -4.36 -0.44 -4.79 121.20 119.00 1iyh s ILE 34 Ca -0.02 0.20 0.05 0.00 -0.26 0.00 0.00 60.65 60.62 1iyh s ILE 34 Cb -0.19 -3.67 -0.03 0.00 1.25 0.00 0.00 42.46 39.81 1iyh s ILE 34 CO 0.00 -0.71 0.26 -1.61 0.24 0.00 0.00 174.94 173.13 1iyh s GLU 35 N -4.92 3.20 0.36 0.37 0.41 -1.26 -3.80 118.70 113.06 1iyh s GLU 35 Ca 0.51 -0.84 0.09 0.00 -0.41 0.00 0.00 54.97 54.33 1iyh s GLU 35 Cb -0.10 -2.76 0.83 0.00 -1.78 0.00 0.00 34.13 30.32 1iyh s GLU 35 CO 0.46 0.44 1.87 1.96 -0.49 0.00 0.00 175.26 179.51 1iyh h GLN 36 N 1.62 0.65 -0.38 1.61 1.08 -2.01 -1.55 115.11 116.13 1iyh h GLN 36 Ca -0.50 -0.04 0.09 0.00 -1.45 0.00 0.00 58.65 56.75 1iyh h GLN 36 Cb 1.22 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 28.49 1iyh h GLN 36 CO 0.63 0.43 0.26 0.00 -0.95 0.00 0.00 178.83 179.20 1iyh h ALA 37 N 1.60 2.21 -0.07 3.87 0.00 -2.05 -1.94 119.26 122.87 1iyh h ALA 37 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1iyh h ALA 37 Cb 0.73 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1iyh h ALA 37 CO -0.20 -0.30 0.00 -0.25 0.00 0.00 0.00 179.25 178.50 1iyh n ASP 38 N -4.45 2.41 -0.12 0.00 8.00 -0.59 -4.52 116.55 117.28 1iyh n ASP 38 Ca 0.05 -1.80 -0.04 0.00 0.71 0.00 0.00 54.79 53.71 1iyh n ASP 38 Cb 0.37 -0.03 0.03 0.00 -0.02 0.00 0.00 41.12 41.47 1iyh n ASP 38 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 1iyh h TRP 39 N 3.66 -0.05 -1.00 1.24 -0.00 -1.33 -1.34 115.95 117.13 1iyh h TRP 39 Ca 0.00 0.03 0.15 0.00 -0.00 0.00 0.00 58.89 59.07 1iyh h TRP 39 Cb 0.78 0.08 -0.09 0.00 -0.00 0.00 0.00 29.16 29.93 1iyh h TRP 39 CO 0.03 -0.10 0.63 -1.35 -0.00 0.00 0.00 178.44 177.65 1iyh h PRO 40 N 0.09 0.88 -0.04 2.65 0.11 -1.79 0.21 132.00 134.11 1iyh h PRO 40 Ca 0.20 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.18 1iyh h PRO 40 Cb 0.29 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.21 1iyh h PRO 40 CO -0.35 0.58 -0.28 1.49 -0.21 0.00 0.00 178.00 179.23 1iyh h GLU 41 N 0.91 0.26 -0.27 1.05 4.81 -1.74 -3.20 114.58 116.39 1iyh h GLU 41 Ca 0.53 -0.23 0.01 0.00 -0.13 0.00 0.00 59.36 59.54 1iyh h GLU 41 Cb 0.65 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 1iyh h GLU 41 CO -0.31 0.90 0.17 0.82 -0.73 0.00 0.00 179.01 179.85 1iyh h ILE 42 N -0.31 1.05 -0.98 2.32 1.08 -0.82 -3.04 117.51 116.80 1iyh h ILE 42 Ca -0.02 -0.12 0.14 0.00 -0.39 0.00 0.00 64.86 64.47 1iyh h ILE 42 Cb 0.96 0.68 -0.09 0.00 -3.07 0.00 0.00 36.82 35.30 1iyh h ILE 42 CO 0.06 0.06 0.60 0.50 -0.69 0.00 0.00 178.15 178.68 1iyh h LYS 43 N 0.34 0.86 0.00 2.37 3.64 -0.68 -1.20 116.57 121.90 1iyh h LYS 43 Ca 0.10 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1iyh h LYS 43 Cb -0.02 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 1iyh h LYS 43 CO -0.04 0.57 0.00 -1.13 -2.27 0.00 0.00 179.45 176.58 1iyh n SER 44 N -4.69 0.00 -0.00 4.20 3.41 -1.15 -1.64 113.62 113.75 1iyh n SER 44 Ca 0.20 -0.01 0.05 0.00 -0.26 0.00 0.00 58.87 58.85 1iyh n SER 44 Cb 0.43 -0.16 -0.07 0.00 -0.26 0.00 0.00 64.21 64.15 1iyh n SER 44 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1iyh n THR 45 N -1.16 0.00 -2.70 6.66 -2.24 -0.45 -5.00 114.28 109.38 1iyh n THR 45 Ca 0.05 -0.24 -0.40 0.00 -2.27 0.00 0.00 64.05 61.18 1iyh n THR 45 Cb 0.05 0.85 -0.06 0.00 -2.10 0.00 0.00 70.33 69.07 1iyh n THR 45 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1iyh s LEU 46 N -2.77 4.63 0.31 3.22 1.43 -0.65 -4.96 118.68 119.89 1iyh s LEU 46 Ca 0.03 2.00 -0.00 0.00 -1.03 0.00 0.00 54.13 55.12 1iyh s LEU 46 Cb 0.08 -3.61 0.50 0.00 0.03 0.00 0.00 46.19 43.19 1iyh s LEU 46 CO 0.46 0.11 1.97 1.55 0.23 0.00 0.00 176.35 180.66 1iyh h PRO 47 N 4.14 1.02 0.00 1.29 0.13 -1.88 -3.22 132.00 133.47 1iyh h PRO 47 Ca -0.45 -0.06 -0.06 0.00 -0.87 0.00 0.00 66.00 64.56 1iyh h PRO 47 Cb 1.20 -0.23 -0.12 0.00 0.13 0.00 0.00 31.00 31.98 1iyh h PRO 47 CO 0.68 0.67 -0.58 1.19 -0.23 0.00 0.00 178.00 179.73 1iyh n PHE 48 N -4.43 0.00 -1.35 1.56 3.01 -1.26 -4.99 117.46 110.00 1iyh n PHE 48 Ca 0.10 -0.86 -0.12 0.00 1.01 0.00 0.00 57.45 57.58 1iyh n PHE 48 Cb 0.07 -0.17 -0.05 0.00 -0.01 0.00 0.00 39.48 39.32 1iyh n PHE 48 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1iyh n GLY 49 N -0.48 1.26 3.24 1.37 0.00 -1.22 -4.99 105.19 104.37 1iyh n GLY 49 Ca 0.11 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 1iyh n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iyh s LYS 50 N -2.91 1.02 0.30 1.61 -0.14 -1.26 -4.99 119.74 113.37 1iyh s LYS 50 Ca 0.00 -1.15 0.11 0.00 -1.36 0.00 0.00 55.97 53.58 1iyh s LYS 50 Cb 0.00 -1.08 -0.05 0.00 -1.68 0.00 0.00 37.83 35.02 1iyh s LYS 50 CO 0.00 0.23 -0.16 0.96 -0.76 0.00 0.00 175.35 175.62 1iyh s ILE 51 N -1.56 2.42 0.70 2.17 -4.36 -1.26 -4.60 121.20 114.70 1iyh s ILE 51 Ca 0.06 -2.34 -0.11 0.00 -0.26 0.00 0.00 60.65 58.00 1iyh s ILE 51 Cb -0.08 -2.42 0.01 0.00 1.25 0.00 0.00 42.46 41.22 1iyh s ILE 51 CO 0.04 -0.34 1.06 -2.16 0.24 0.00 0.00 174.94 173.78 1iyh s PRO 52 N -3.54 2.93 0.09 0.37 0.04 -1.26 -4.95 135.00 128.68 1iyh s PRO 52 Ca 0.31 0.92 0.05 0.00 0.04 0.00 0.00 61.00 62.31 1iyh s PRO 52 Cb -0.03 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1iyh s PRO 52 CO 0.16 -1.09 -0.12 0.96 0.04 0.00 0.00 177.00 176.94 1iyh s ILE 53 N -3.06 1.06 -0.14 0.56 -4.36 -1.14 -3.65 121.20 110.46 1iyh s ILE 53 Ca 0.58 -1.47 -0.00 0.00 -0.26 0.00 0.00 60.65 59.50 1iyh s ILE 53 Cb -0.14 -1.21 0.03 0.00 1.25 0.00 0.00 42.46 42.39 1iyh s ILE 53 CO 0.55 -0.38 -0.09 -0.22 0.24 0.00 0.00 174.94 175.04 1iyh s LEU 54 N -2.08 1.53 -0.14 0.37 2.96 0.15 -1.91 118.68 119.56 1iyh s LEU 54 Ca 0.02 -0.50 -0.20 0.00 -0.22 0.00 0.00 54.13 53.24 1iyh s LEU 54 Cb -0.07 -0.99 -0.04 0.00 0.50 0.00 0.00 46.19 45.60 1iyh s LEU 54 CO 0.02 -0.12 0.56 -1.61 -1.32 0.00 0.00 176.35 173.87 1iyh s GLU 55 N 1.60 4.30 -0.24 1.98 2.02 0.03 -0.73 118.70 127.66 1iyh s GLU 55 Ca 0.03 0.55 0.02 0.00 0.02 0.00 0.00 54.97 55.59 1iyh s GLU 55 Cb -0.14 -3.49 0.06 0.00 0.10 0.00 0.00 34.13 30.66 1iyh s GLU 55 CO -0.09 -0.00 -0.08 0.08 0.02 0.00 0.00 175.26 175.19 1iyh s VAL 56 N 1.13 1.81 -1.50 2.63 1.01 0.11 -1.42 120.40 124.16 1iyh s VAL 56 Ca 0.28 -1.38 -0.05 0.00 0.00 0.00 0.00 61.98 60.84 1iyh s VAL 56 Cb -0.16 -1.99 0.04 0.00 0.00 0.00 0.00 36.38 34.27 1iyh s VAL 56 CO 0.12 -0.05 0.45 0.47 0.00 0.00 0.00 175.10 176.09 1iyh n ASP 57 N 4.57 -0.88 0.00 3.32 10.43 -0.55 -1.32 116.55 132.12 1iyh n ASP 57 Ca -0.13 -1.05 0.00 0.00 2.57 0.00 0.00 54.79 56.18 1iyh n ASP 57 Cb 0.43 -2.78 0.00 0.00 1.84 0.00 0.00 41.12 40.62 1iyh n ASP 57 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1iyh n GLY 58 N -1.92 1.70 3.61 0.44 0.00 -1.26 -5.04 105.19 102.72 1iyh n GLY 58 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 1iyh n GLY 58 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iyh s LEU 59 N 0.00 3.25 -0.19 0.99 1.43 -0.43 -5.11 118.68 118.63 1iyh s LEU 59 Ca 0.00 -0.06 -0.13 0.00 -1.03 0.00 0.00 54.13 52.91 1iyh s LEU 59 Cb 0.00 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 1iyh s LEU 59 CO 0.00 0.32 0.25 -0.89 0.23 0.00 0.00 176.35 176.26 1iyh s THR 60 N -0.94 5.32 0.05 5.49 2.01 -1.26 0.04 115.64 126.35 1iyh s THR 60 Ca 0.16 0.44 0.04 0.00 0.31 0.00 0.00 61.69 62.64 1iyh s THR 60 Cb -0.11 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1iyh s THR 60 CO 0.05 0.38 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.55 1iyh s LEU 61 N 0.64 3.26 0.31 4.42 1.43 0.09 -4.96 118.68 123.86 1iyh s LEU 61 Ca 0.14 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.08 1iyh s LEU 61 Cb -0.13 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 1iyh s LEU 61 CO 0.03 0.23 0.13 -1.38 0.23 0.00 0.00 176.35 175.59 1iyh s HIS 62 N -1.13 1.64 -0.02 0.29 -3.43 -1.26 -0.67 115.29 110.70 1iyh s HIS 62 Ca 0.20 -1.27 -0.02 0.00 -0.80 0.00 0.00 55.06 53.18 1iyh s HIS 62 Cb -0.11 -0.94 0.01 0.00 -1.43 0.00 0.00 32.58 30.10 1iyh s HIS 62 CO 0.12 -0.40 0.03 1.04 -2.00 0.00 0.00 174.74 173.53 1iyh n GLN 63 N -0.60 -1.19 -0.28 -0.38 1.13 -1.24 -4.37 117.38 110.45 1iyh n GLN 63 Ca -0.00 1.26 0.09 0.00 -1.94 0.00 0.00 57.00 56.41 1iyh n GLN 63 Cb 0.65 -1.76 0.24 0.00 0.11 0.00 0.00 30.24 29.47 1iyh n GLN 63 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1iyh h SER 64 N 1.01 0.00 0.59 1.08 4.64 -1.85 -0.65 113.55 118.37 1iyh h SER 64 Ca -0.07 0.17 -0.17 0.00 -0.47 0.00 0.00 61.79 61.25 1iyh h SER 64 Cb 0.16 0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 1iyh h SER 64 CO 0.00 -0.10 -0.76 -0.07 -0.87 0.00 0.00 176.83 175.04 1iyh h LEU 65 N 0.24 0.17 -0.53 5.97 3.38 -1.91 -0.21 115.31 122.43 1iyh h LEU 65 Ca 0.49 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 58.22 1iyh h LEU 65 Cb 0.91 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 1iyh h LEU 65 CO -0.59 0.86 -0.12 0.00 0.09 0.00 0.00 178.44 178.68 1iyh h ALA 66 N 1.13 0.73 -0.29 1.53 0.00 -1.57 -1.12 119.26 119.67 1iyh h ALA 66 Ca -0.02 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1iyh h ALA 66 Cb 1.34 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1iyh h ALA 66 CO 0.11 0.65 -0.01 0.82 0.00 0.00 0.00 179.25 180.82 1iyh h ILE 67 N 0.89 1.26 -0.93 0.00 2.04 -1.01 -1.39 117.51 118.37 1iyh h ILE 67 Ca 0.14 -0.95 0.02 0.00 1.00 0.00 0.00 64.86 65.07 1iyh h ILE 67 Cb 0.69 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 38.02 1iyh h ILE 67 CO 0.05 0.31 0.61 0.00 0.00 0.00 0.00 178.15 179.12 1iyh h ALA 68 N 0.83 1.21 -0.48 1.87 0.00 -0.89 -0.89 119.26 120.91 1iyh h ALA 68 Ca 0.08 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1iyh h ALA 68 Cb 0.44 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1iyh h ALA 68 CO 0.02 0.53 -0.03 -0.09 0.00 0.00 0.00 179.25 179.67 1iyh h ARG 69 N 1.22 0.87 -0.32 0.00 2.43 -1.03 -2.39 114.38 115.15 1iyh h ARG 69 Ca 0.36 -0.29 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1iyh h ARG 69 Cb -0.07 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 1iyh h ARG 69 CO -0.10 0.93 0.18 -0.92 -1.51 0.00 0.00 179.97 178.56 1iyh h TYR 70 N 0.72 0.35 0.00 2.20 3.20 -0.61 -2.50 116.97 120.33 1iyh h TYR 70 Ca 0.13 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 1iyh h TYR 70 Cb 0.56 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 1iyh h TYR 70 CO 0.04 0.20 -0.25 -0.07 -1.64 0.00 0.00 178.16 176.45 1iyh h LEU 71 N 0.38 0.00 -0.96 2.82 3.38 -1.09 -2.91 115.31 116.93 1iyh h LEU 71 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1iyh h LEU 71 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1iyh h LEU 71 CO -0.06 0.25 -0.17 0.35 0.09 0.00 0.00 178.44 178.90 1iyh n THR 72 N -4.02 0.00 -1.86 0.22 -2.24 -0.91 -4.88 114.28 100.58 1iyh n THR 72 Ca -0.02 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.09 1iyh n THR 72 Cb 0.32 0.75 -0.02 0.00 -2.10 0.00 0.00 70.33 69.28 1iyh n THR 72 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1iyh s LYS 73 N -2.25 4.18 -1.29 -0.78 1.02 -0.97 -1.92 119.74 117.73 1iyh s LYS 73 Ca 0.28 2.47 0.00 0.00 0.02 0.00 0.00 55.97 58.74 1iyh s LYS 73 Cb 0.20 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.43 1iyh s LYS 73 CO 0.43 -0.58 0.00 0.09 -0.92 0.00 0.00 175.35 174.37 1iyh n ASN 74 N 2.75 -4.40 -4.49 2.83 3.02 -1.26 -5.01 115.26 108.70 1iyh n ASN 74 Ca 0.10 0.15 -0.23 0.00 -0.03 0.00 0.00 54.58 54.57 1iyh n ASN 74 Cb 0.38 -3.35 -0.11 0.00 -0.61 0.00 0.00 39.78 36.10 1iyh n ASN 74 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1iyh s THR 75 N -2.59 1.47 -0.45 3.41 -4.23 -0.81 -5.03 115.64 107.41 1iyh s THR 75 Ca 0.00 -2.02 0.23 0.00 -1.18 0.00 0.00 61.69 58.72 1iyh s THR 75 Cb 0.00 -2.80 0.24 0.00 1.34 0.00 0.00 72.50 71.28 1iyh s THR 75 CO 0.00 -0.04 1.70 -0.90 -0.54 0.00 0.00 174.62 174.84 1iyh n ASP 76 N -0.75 0.65 0.07 3.99 5.75 -1.26 -2.51 116.55 122.50 1iyh n ASP 76 Ca -0.03 0.68 0.13 0.00 -0.01 0.00 0.00 54.79 55.55 1iyh n ASP 76 Cb 0.66 -0.81 0.39 0.00 -1.03 0.00 0.00 41.12 40.33 1iyh n ASP 76 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1iyh n LEU 77 N -2.24 0.63 -0.15 -2.12 4.77 -1.26 -4.20 117.00 112.43 1iyh n LEU 77 Ca 0.02 0.47 -0.12 0.00 -0.03 0.00 0.00 56.01 56.35 1iyh n LEU 77 Cb 0.20 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 1iyh n LEU 77 CO 0.18 -0.11 0.67 0.00 -1.33 0.00 0.00 177.39 176.80 1iyh h ALA 78 N 2.63 0.63 0.00 -1.18 0.00 -1.58 -2.41 119.26 117.35 1iyh h ALA 78 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1iyh h ALA 78 Cb 0.68 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1iyh h ALA 78 CO 0.00 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.26 1iyh n GLY 79 N -0.10 4.03 0.21 0.00 0.00 -1.26 -4.52 105.19 103.55 1iyh n GLY 79 Ca -0.01 -1.30 -0.01 0.00 0.00 0.00 0.00 46.02 44.70 1iyh n GLY 79 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1iyh h ASN 80 N 0.00 0.27 -3.28 1.61 -0.26 -1.91 -3.44 115.58 108.57 1iyh h ASN 80 Ca 0.00 -0.10 -0.50 0.00 -0.56 0.00 0.00 56.30 55.15 1iyh h ASN 80 Cb 0.00 -0.07 -0.14 0.00 -1.06 0.00 0.00 38.32 37.05 1iyh h ASN 80 CO 0.00 0.60 -0.57 0.42 -1.06 0.00 0.00 177.43 176.81 1iyh s THR 81 N -4.30 0.90 0.19 2.81 -4.23 -1.26 -5.03 115.64 104.72 1iyh s THR 81 Ca -0.05 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.39 1iyh s THR 81 Cb 0.14 -2.60 0.04 0.00 1.34 0.00 0.00 72.50 71.42 1iyh s THR 81 CO 0.77 0.00 1.61 -0.33 -0.54 0.00 0.00 174.62 176.13 1iyh h GLU 82 N 2.00 0.90 -0.36 3.99 5.08 -1.99 0.15 114.58 124.36 1iyh h GLU 82 Ca -0.38 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 57.61 1iyh h GLU 82 Cb 1.26 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1iyh h GLU 82 CO 0.64 1.00 0.16 0.52 -1.00 0.00 0.00 179.01 180.33 1iyh h MET 83 N 0.79 0.52 -0.32 2.33 2.86 -1.99 -1.48 114.93 117.66 1iyh h MET 83 Ca 0.12 -0.08 -0.08 0.00 -2.06 0.00 0.00 59.70 57.59 1iyh h MET 83 Cb 0.71 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 1iyh h MET 83 CO 0.05 0.48 -0.15 0.93 1.06 0.00 0.00 176.91 179.29 1iyh h GLU 84 N 0.44 0.56 -0.20 1.72 5.08 -1.91 -1.56 114.58 118.70 1iyh h GLU 84 Ca 0.12 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1iyh h GLU 84 Cb 0.14 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1iyh h GLU 84 CO -0.01 0.69 -0.13 1.96 -1.00 0.00 0.00 179.01 180.52 1iyh h GLN 85 N 0.51 0.33 -0.38 2.33 4.20 -0.65 0.09 115.11 121.54 1iyh h GLN 85 Ca 0.09 -0.08 -0.15 0.00 0.06 0.00 0.00 58.65 58.57 1iyh h GLN 85 Cb 0.55 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1iyh h GLN 85 CO 0.04 0.47 -0.34 0.00 -0.67 0.00 0.00 178.83 178.32 1iyh h HIS 87 N 0.71 0.97 -0.17 0.00 3.86 -0.56 0.62 115.15 120.57 1iyh h HIS 87 Ca 0.06 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1iyh h HIS 87 Cb 0.93 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 29.11 1iyh h HIS 87 CO 0.06 0.81 0.08 0.28 0.86 0.00 0.00 177.93 180.03 1iyh h VAL 88 N 0.89 1.12 -0.84 2.45 2.07 -0.85 -0.71 116.25 120.39 1iyh h VAL 88 Ca 0.19 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1iyh h VAL 88 Cb 0.34 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1iyh h VAL 88 CO 0.00 0.12 0.51 0.44 0.02 0.00 0.00 177.57 178.66 1iyh h ASP 89 N 0.15 1.00 -0.46 0.57 3.32 -1.02 -1.85 116.42 118.12 1iyh h ASP 89 Ca 0.06 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1iyh h ASP 89 Cb 0.11 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1iyh h ASP 89 CO -0.01 0.76 0.13 0.00 -1.72 0.00 0.00 179.24 178.41 1iyh h ALA 90 N 1.28 0.60 -0.42 3.45 0.00 -0.54 -0.91 119.26 122.72 1iyh h ALA 90 Ca 0.30 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1iyh h ALA 90 Cb -0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1iyh h ALA 90 CO -0.06 0.27 0.05 0.82 0.00 0.00 0.00 179.25 180.33 1iyh h ILE 91 N 0.60 1.25 -0.60 0.00 1.08 -0.98 -0.93 117.51 117.93 1iyh h ILE 91 Ca 0.15 -0.91 -0.01 0.00 -0.39 0.00 0.00 64.86 63.70 1iyh h ILE 91 Cb 0.29 1.03 -0.03 0.00 -3.07 0.00 0.00 36.82 35.04 1iyh h ILE 91 CO -0.00 0.31 0.36 0.58 -0.69 0.00 0.00 178.15 178.71 1iyh h VAL 92 N 0.55 1.18 -0.17 1.67 2.07 -1.18 -1.17 116.25 119.21 1iyh h VAL 92 Ca 0.13 -0.42 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 1iyh h VAL 92 Cb 0.40 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1iyh h VAL 92 CO 0.01 0.19 -0.30 0.44 0.02 0.00 0.00 177.57 177.93 1iyh h ASP 93 N 0.81 0.33 -0.46 0.57 3.45 -1.00 0.18 116.42 120.30 1iyh h ASP 93 Ca 0.21 -0.11 -0.07 0.00 0.43 0.00 0.00 57.03 57.49 1iyh h ASP 93 Cb -0.01 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 38.66 1iyh h ASP 93 CO -0.04 0.62 0.01 0.74 -1.57 0.00 0.00 179.24 179.00 1iyh h THR 94 N 0.29 1.26 -0.17 0.35 2.02 -0.75 0.10 112.91 116.01 1iyh h THR 94 Ca 0.04 -1.03 -0.04 0.00 0.77 0.00 0.00 66.41 66.15 1iyh h THR 94 Cb 0.68 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1iyh h THR 94 CO 0.05 0.36 -0.03 -0.07 0.37 0.00 0.00 175.52 176.20 1iyh h LEU 95 N 0.66 0.32 -1.39 2.58 3.38 -0.85 -2.86 115.31 117.14 1iyh h LEU 95 Ca 0.13 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1iyh h LEU 95 Cb 0.48 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1iyh h LEU 95 CO 0.02 0.60 0.16 -0.78 0.09 0.00 0.00 178.44 178.53 1iyh h ASP 96 N 0.03 0.51 -0.85 -0.43 3.58 -0.54 -1.81 116.42 116.90 1iyh h ASP 96 Ca 0.04 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 1iyh h ASP 96 Cb 0.46 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.34 1iyh h ASP 96 CO 0.02 0.47 0.52 0.44 -2.88 0.00 0.00 179.24 177.80 1iyh h ASP 97 N 0.57 1.02 -0.15 2.28 3.45 -0.65 -1.02 116.42 121.92 1iyh h ASP 97 Ca 0.14 -0.06 -0.11 0.00 0.43 0.00 0.00 57.03 57.42 1iyh h ASP 97 Cb 0.12 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 38.64 1iyh h ASP 97 CO -0.01 0.78 -0.36 0.15 -1.57 0.00 0.00 179.24 178.24 1iyh h PHE 98 N 1.17 0.64 -0.52 4.55 3.57 -1.17 -3.13 116.94 122.05 1iyh h PHE 98 Ca 0.31 -0.24 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1iyh h PHE 98 Cb -0.05 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 1iyh h PHE 98 CO -0.00 0.98 0.33 0.52 -2.23 0.00 0.00 178.31 177.90 1iyh h MET 99 N 0.12 0.69 0.00 1.11 2.86 -1.17 -1.27 114.93 117.27 1iyh h MET 99 Ca -0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1iyh h MET 99 Cb 0.96 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.47 1iyh h MET 99 CO 0.08 0.48 0.00 0.43 1.06 0.00 0.00 176.91 178.95 1iyh n SER 100 N -4.44 0.00 0.20 1.22 7.64 -0.40 -2.56 113.62 115.28 1iyh n SER 100 Ca 0.05 0.39 0.10 0.00 1.01 0.00 0.00 58.87 60.42 1iyh n SER 100 Cb 0.06 -0.45 0.19 0.00 -1.01 0.00 0.00 64.21 63.00 1iyh n SER 100 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iyh s PHE 102 N -3.20 3.63 -1.51 0.00 0.40 -1.06 -4.95 117.98 111.29 1iyh s PHE 102 Ca 0.05 1.70 -0.11 0.00 -0.60 0.00 0.00 56.93 57.97 1iyh s PHE 102 Cb 0.06 -3.24 -0.00 0.00 0.51 0.00 0.00 43.02 40.34 1iyh s PHE 102 CO 0.68 -0.44 2.56 -0.35 0.70 0.00 0.00 175.22 178.36 1iyh n PRO 103 N 1.59 3.43 0.01 0.24 -0.04 -1.26 -4.76 135.00 134.21 1iyh n PRO 103 Ca -0.00 -2.55 0.19 0.00 -0.04 0.00 0.00 63.50 61.10 1iyh n PRO 103 Cb 0.45 -2.99 0.68 0.00 -0.04 0.00 0.00 33.50 31.60 1iyh n PRO 103 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1iyh h TRP 104 N 5.42 0.02 -0.01 0.54 4.06 -1.93 -1.58 115.95 122.46 1iyh h TRP 104 Ca 0.71 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.66 1iyh h TRP 104 Cb 0.45 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.60 1iyh h TRP 104 CO 1.65 0.01 -0.29 0.00 -3.56 0.00 0.00 178.44 176.25 1iyh n ALA 105 N -2.63 3.15 -1.57 1.49 0.00 -1.26 -4.94 120.51 114.74 1iyh n ALA 105 Ca 0.09 -0.55 -0.49 0.00 0.00 0.00 0.00 53.44 52.49 1iyh n ALA 105 Cb 0.57 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 19.02 1iyh n ALA 105 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1iyh n GLU 106 N -0.01 1.58 0.14 0.00 4.07 -0.60 -4.88 120.64 120.94 1iyh n GLU 106 Ca 0.12 0.50 -0.14 0.00 -0.06 0.00 0.00 57.16 57.59 1iyh n GLU 106 Cb 0.44 -2.61 -0.08 0.00 -0.06 0.00 0.00 31.44 29.12 1iyh n GLU 106 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1iyh h LYS 107 N 11.36 -0.32 -6.15 5.31 6.56 -1.92 -3.41 116.57 127.99 1iyh h LYS 107 Ca -0.38 0.02 -0.57 0.00 -1.06 0.00 0.00 60.65 58.66 1iyh h LYS 107 Cb 1.29 0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 33.01 1iyh h LYS 107 CO 0.98 -0.08 1.35 0.15 -2.06 0.00 0.00 179.45 179.79 1iyh s LYS 108 N -5.34 3.18 0.36 3.15 1.02 -1.26 -4.86 119.74 116.00 1iyh s LYS 108 Ca -0.15 1.53 0.04 0.00 0.02 0.00 0.00 55.97 57.41 1iyh s LYS 108 Cb 0.03 -4.27 0.68 0.00 -0.52 0.00 0.00 37.83 33.75 1iyh s LYS 108 CO 0.61 -2.04 1.99 1.96 -0.92 0.00 0.00 175.35 176.94 1iyh h GLN 109 N 13.88 0.69 0.09 1.68 1.08 -1.99 -1.58 115.11 128.97 1iyh h GLN 109 Ca -0.35 -0.07 0.02 0.00 -1.45 0.00 0.00 58.65 56.80 1iyh h GLN 109 Cb 1.19 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 28.45 1iyh h GLN 109 CO 1.03 0.51 -0.20 0.22 -0.95 0.00 0.00 178.83 179.44 1iyh h ASP 110 N 0.70 -0.55 -0.37 1.46 3.58 -1.97 0.13 116.42 119.40 1iyh h ASP 110 Ca 0.18 0.07 -0.14 0.00 0.42 0.00 0.00 57.03 57.56 1iyh h ASP 110 Cb 0.02 0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 1iyh h ASP 110 CO -0.03 -0.28 -0.29 1.62 -2.88 0.00 0.00 179.24 177.39 1iyh h VAL 111 N -0.37 1.27 0.09 2.25 3.04 -1.93 -2.94 116.25 117.66 1iyh h VAL 111 Ca 0.03 -1.45 -0.00 0.00 -1.01 0.00 0.00 66.70 64.27 1iyh h VAL 111 Cb 0.39 1.26 -0.00 0.00 -2.01 0.00 0.00 31.29 30.93 1iyh h VAL 111 CO -0.12 0.49 -0.05 0.50 -1.01 0.00 0.00 177.57 177.38 1iyh h LYS 112 N 0.75 -0.13 -0.70 4.17 3.64 -0.99 -1.81 116.57 121.50 1iyh h LYS 112 Ca 0.09 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1iyh h LYS 112 Cb 0.85 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.65 1iyh h LYS 112 CO 0.07 -0.09 0.42 1.49 -2.27 0.00 0.00 179.45 179.07 1iyh h GLU 113 N -0.14 0.76 -0.58 1.90 4.81 -0.77 -1.03 114.58 119.53 1iyh h GLU 113 Ca -0.01 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1iyh h GLU 113 Cb 0.11 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 1iyh h GLU 113 CO 0.01 0.50 0.31 0.37 -0.73 0.00 0.00 179.01 179.48 1iyh h GLN 114 N 0.78 0.82 -0.51 1.92 5.75 -1.33 -0.81 115.11 121.74 1iyh h GLN 114 Ca 0.30 -0.10 -0.12 0.00 -0.15 0.00 0.00 58.65 58.58 1iyh h GLN 114 Cb 0.12 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.50 1iyh h GLN 114 CO -0.15 0.63 -0.15 1.98 -2.65 0.00 0.00 178.83 178.49 1iyh h MET 115 N 0.79 0.99 -0.25 1.69 4.05 -0.85 -0.99 114.93 120.35 1iyh h MET 115 Ca 0.20 -0.38 -0.01 0.00 -0.28 0.00 0.00 59.70 59.24 1iyh h MET 115 Cb 0.05 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 1iyh h MET 115 CO -0.03 1.06 0.14 0.74 0.23 0.00 0.00 176.91 179.04 1iyh h PHE 116 N 0.87 0.35 -0.70 1.39 -1.00 -0.97 -0.63 116.94 116.24 1iyh h PHE 116 Ca 0.13 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.86 1iyh h PHE 116 Cb 0.72 -0.11 -0.03 0.00 3.61 0.00 0.00 35.95 40.13 1iyh h PHE 116 CO 0.05 0.30 0.28 -0.91 -1.61 0.00 0.00 178.31 176.42 1iyh h ASN 117 N 0.29 0.95 -0.29 2.17 2.35 -0.96 -0.50 115.58 119.60 1iyh h ASN 117 Ca 0.09 -0.14 -0.09 0.00 -0.55 0.00 0.00 56.30 55.61 1iyh h ASN 117 Cb 0.07 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1iyh h ASN 117 CO -0.01 0.85 -0.16 -0.33 -1.65 0.00 0.00 177.43 176.13 1iyh h GLU 118 N 1.02 0.62 -0.68 0.81 5.08 -0.99 -1.49 114.58 118.94 1iyh h GLU 118 Ca 0.24 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1iyh h GLU 118 Cb 0.20 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1iyh h GLU 118 CO -0.02 0.86 0.36 -0.07 -1.00 0.00 0.00 179.01 179.14 1iyh h LEU 119 N 0.36 0.86 -0.97 1.33 3.38 -0.83 0.14 115.31 119.58 1iyh h LEU 119 Ca 0.06 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1iyh h LEU 119 Cb 0.68 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1iyh h LEU 119 CO 0.05 0.72 -0.34 -0.07 0.09 0.00 0.00 178.44 178.89 1iyh h LEU 120 N 0.94 0.00 0.04 1.67 -0.00 -1.02 -0.26 115.31 116.67 1iyh h LEU 120 Ca 0.24 0.00 -0.33 0.00 -0.00 0.00 0.00 57.88 57.79 1iyh h LEU 120 Cb 0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.68 1iyh h LEU 120 CO -0.04 0.34 -1.85 0.41 -0.00 0.00 0.00 178.44 177.30 1iyh n THR 121 N -3.50 1.61 0.06 0.22 -1.04 -0.57 -4.19 114.28 106.88 1iyh n THR 121 Ca -0.00 -0.35 0.09 0.00 -2.04 0.00 0.00 64.05 61.76 1iyh n THR 121 Cb 0.49 -1.85 -0.06 0.00 -1.82 0.00 0.00 70.33 67.10 1iyh n THR 121 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1iyh n TYR 122 N -3.97 0.71 -0.04 -1.42 0.53 0.46 -4.57 117.16 108.85 1iyh n TYR 122 Ca -0.38 0.21 -0.07 0.00 -1.02 0.00 0.00 57.90 56.64 1iyh n TYR 122 Cb 0.87 -0.86 -0.03 0.00 -1.03 0.00 0.00 39.34 38.28 1iyh n TYR 122 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 1iyh n ASN 123 N -2.60 2.17 -0.25 7.72 3.02 -0.83 -4.75 115.26 119.73 1iyh n ASN 123 Ca -0.03 0.02 0.06 0.00 -0.03 0.00 0.00 54.58 54.60 1iyh n ASN 123 Cb 0.61 -0.18 0.18 0.00 -0.61 0.00 0.00 39.78 39.78 1iyh n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1iyh h ALA 124 N -0.13 0.97 -0.85 5.41 0.00 -1.23 -1.83 119.26 121.60 1iyh h ALA 124 Ca -0.20 0.17 0.17 0.00 0.00 0.00 0.00 54.91 55.05 1iyh h ALA 124 Cb 1.24 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 19.19 1iyh h ALA 124 CO -0.07 -0.34 0.56 -1.35 0.00 0.00 0.00 179.25 178.05 1iyh h PRO 125 N 0.28 0.48 -0.39 0.00 0.11 -1.81 0.11 132.00 130.79 1iyh h PRO 125 Ca 0.42 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 66.34 1iyh h PRO 125 Cb 0.71 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 1iyh h PRO 125 CO -0.51 0.32 -0.39 0.45 -0.21 0.00 0.00 178.00 177.67 1iyh h HIS 126 N 0.50 1.14 -0.24 0.65 3.86 -1.63 -1.54 115.15 117.88 1iyh h HIS 126 Ca 0.43 -0.34 -0.11 0.00 -1.16 0.00 0.00 60.37 59.19 1iyh h HIS 126 Cb 0.91 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 29.14 1iyh h HIS 126 CO -0.00 1.17 -0.26 1.25 0.86 0.00 0.00 177.93 180.96 1iyh h LEU 127 N 0.77 0.65 -0.90 2.43 5.85 -1.19 -1.98 115.31 120.94 1iyh h LEU 127 Ca 0.06 -0.48 0.04 0.00 0.84 0.00 0.00 57.88 58.34 1iyh h LEU 127 Cb 0.98 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.78 1iyh h LEU 127 CO 0.10 1.00 0.58 0.24 -0.34 0.00 0.00 178.44 180.01 1iyh h MET 128 N 0.31 1.08 -0.47 1.25 2.86 -0.77 -0.28 114.93 118.91 1iyh h MET 128 Ca 0.04 -0.07 -0.12 0.00 -2.06 0.00 0.00 59.70 57.49 1iyh h MET 128 Cb 0.82 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 1iyh h MET 128 CO 0.06 0.72 -0.19 0.37 1.06 0.00 0.00 176.91 178.93 1iyh h GLN 129 N 1.11 0.95 -0.53 1.72 5.75 -1.19 -0.56 115.11 122.37 1iyh h GLN 129 Ca 0.37 -0.40 -0.06 0.00 -0.15 0.00 0.00 58.65 58.40 1iyh h GLN 129 Cb 0.04 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1iyh h GLN 129 CO -0.13 1.07 0.08 -0.44 -2.65 0.00 0.00 178.83 176.76 1iyh h ASP 130 N 0.80 0.79 -0.28 -0.69 3.32 -0.81 -0.29 116.42 119.27 1iyh h ASP 130 Ca 0.11 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 56.90 1iyh h ASP 130 Cb 0.76 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1iyh h ASP 130 CO 0.06 0.81 -0.19 -0.07 -1.72 0.00 0.00 179.24 178.13 1iyh h LEU 131 N 0.80 0.65 -0.54 1.55 3.38 -0.90 -0.98 115.31 119.26 1iyh h LEU 131 Ca 0.17 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1iyh h LEU 131 Cb 0.36 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1iyh h LEU 131 CO 0.01 0.95 0.29 -0.78 0.09 0.00 0.00 178.44 179.00 1iyh h ASP 132 N 0.36 0.68 -0.65 -0.43 -0.00 -0.81 -0.74 116.42 114.83 1iyh h ASP 132 Ca 0.06 -0.10 -0.05 0.00 -0.00 0.00 0.00 57.03 56.94 1iyh h ASP 132 Cb 0.73 -0.17 -0.03 0.00 -0.00 0.00 0.00 39.33 39.86 1iyh h ASP 132 CO 0.05 0.58 0.20 0.74 -0.00 0.00 0.00 179.24 180.82 1iyh h THR 133 N 0.72 1.25 -0.65 2.25 2.02 -1.01 -0.70 112.91 116.79 1iyh h THR 133 Ca 0.19 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 1iyh h THR 133 Cb 0.06 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 1iyh h THR 133 CO -0.03 0.33 0.37 0.22 0.37 0.00 0.00 175.52 176.78 1iyh h TYR 134 N 0.94 0.87 -0.11 3.16 3.20 -0.78 -2.90 116.97 121.35 1iyh h TYR 134 Ca 0.21 -0.01 -0.18 0.00 3.14 0.00 0.00 58.73 61.89 1iyh h TYR 134 Cb 0.29 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.28 1iyh h TYR 134 CO 0.02 0.61 -0.68 1.25 -1.64 0.00 0.00 178.16 177.72 1iyh h LEU 135 N 0.88 0.55 0.00 2.82 5.85 -0.91 -3.48 115.31 121.01 1iyh h LEU 135 Ca 0.23 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1iyh h LEU 135 Cb 0.01 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.88 1iyh h LEU 135 CO -0.04 1.07 0.00 0.61 -0.34 0.00 0.00 178.44 179.74 1iyh n GLY 136 N 0.47 2.64 1.10 3.75 0.00 -0.29 -1.48 105.19 111.37 1iyh n GLY 136 Ca -0.04 -0.27 0.08 0.00 0.00 0.00 0.00 46.02 45.79 1iyh n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iyh n GLY 137 N 0.00 1.73 3.77 -0.02 0.00 -1.26 -4.96 105.19 104.45 1iyh n GLY 137 Ca 0.00 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 1iyh n GLY 137 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iyh s ARG 138 N -1.44 2.67 0.03 1.61 0.52 -0.55 -4.98 118.95 116.81 1iyh s ARG 138 Ca 0.37 1.34 -0.20 0.00 -0.52 0.00 0.00 55.73 56.72 1iyh s ARG 138 Cb 0.21 -1.94 -0.16 0.00 0.52 0.00 0.00 34.95 33.58 1iyh s ARG 138 CO 0.23 -1.34 1.29 1.49 0.02 0.00 0.00 175.30 176.98 1iyh h GLU 139 N -0.23 0.36 -5.40 3.54 4.81 -1.89 -3.47 114.58 112.29 1iyh h GLU 139 Ca -0.46 -0.22 -0.50 0.00 -0.13 0.00 0.00 59.36 58.04 1iyh h GLU 139 Cb 1.24 0.02 -0.14 0.00 0.63 0.00 0.00 28.75 30.51 1iyh h GLU 139 CO 0.53 0.81 -0.63 -1.58 -0.73 0.00 0.00 179.01 177.41 1iyh s TRP 140 N -4.07 2.04 0.15 0.92 0.52 -1.26 -4.89 118.94 112.35 1iyh s TRP 140 Ca -0.14 -0.81 -0.13 0.00 0.02 0.00 0.00 56.10 55.03 1iyh s TRP 140 Cb 0.05 -1.29 0.03 0.00 -1.15 0.00 0.00 33.47 31.11 1iyh s TRP 140 CO 0.76 0.18 1.68 -0.07 0.02 0.00 0.00 176.95 179.53 1iyh h LEU 141 N 2.13 0.72 -7.95 2.99 3.38 -1.90 -3.43 115.31 111.25 1iyh h LEU 141 Ca -0.41 -0.20 -0.49 0.00 0.09 0.00 0.00 57.88 56.87 1iyh h LEU 141 Cb 1.24 -0.19 -0.33 0.00 0.09 0.00 0.00 40.66 41.47 1iyh h LEU 141 CO 0.70 0.73 -0.81 -0.63 0.09 0.00 0.00 178.44 178.53 1iyh s ILE 142 N -5.44 1.01 0.00 1.22 1.09 -1.26 -4.90 121.20 112.91 1iyh s ILE 142 Ca -0.13 -0.41 0.00 0.00 -1.10 0.00 0.00 60.65 59.01 1iyh s ILE 142 Cb 0.12 -0.93 0.00 0.00 -1.06 0.00 0.00 42.46 40.58 1iyh s ILE 142 CO 0.78 0.33 0.00 0.61 -0.10 0.00 0.00 174.94 176.56 1iyh n GLY 143 N 3.79 -0.65 0.79 6.18 0.00 -1.26 -4.23 105.19 109.81 1iyh n GLY 143 Ca -0.23 -1.14 0.08 0.00 0.00 0.00 0.00 46.02 44.73 1iyh n GLY 143 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1iyh n MET 144 N -0.03 2.30 -4.09 1.61 0.00 -1.26 -4.58 117.12 111.07 1iyh n MET 144 Ca 0.00 -1.99 -0.08 0.00 0.00 0.00 0.00 57.70 55.63 1iyh n MET 144 Cb 0.00 -1.34 -0.10 0.00 0.00 0.00 0.00 33.22 31.78 1iyh n MET 144 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1iyh s SER 145 N -1.08 0.43 0.43 3.17 1.04 -1.26 -4.92 113.70 111.51 1iyh s SER 145 Ca 0.27 -1.03 -0.26 0.00 0.48 0.00 0.00 55.95 55.41 1iyh s SER 145 Cb 0.15 0.23 -0.09 0.00 0.10 0.00 0.00 66.02 66.41 1iyh s SER 145 CO 0.21 -0.63 1.44 0.54 0.98 0.00 0.00 173.24 175.77 1iyh s VAL 146 N -3.94 2.09 0.30 5.02 0.11 -1.26 -4.75 120.40 117.96 1iyh s VAL 146 Ca 0.11 0.08 0.03 0.00 -2.93 0.00 0.00 61.98 59.27 1iyh s VAL 146 Cb 0.08 -3.05 -0.06 0.00 -1.53 0.00 0.00 36.38 31.82 1iyh s VAL 146 CO -0.08 0.01 0.07 0.42 -3.33 0.00 0.00 175.10 172.20 1iyh s THR 147 N -1.18 0.97 -1.47 5.04 -4.23 -1.26 -4.46 115.64 109.05 1iyh s THR 147 Ca 0.59 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.23 1iyh s THR 147 Cb -0.44 -2.74 0.24 0.00 1.34 0.00 0.00 72.50 70.90 1iyh s THR 147 CO 0.58 0.00 1.34 -2.67 -0.54 0.00 0.00 174.62 173.33 1iyh n TRP 148 N -0.62 0.00 -0.04 3.99 4.27 -0.91 -1.59 117.44 122.54 1iyh n TRP 148 Ca -0.01 0.00 -0.15 0.00 -3.89 0.00 0.00 57.50 53.45 1iyh n TRP 148 Cb 0.66 -0.27 -0.04 0.00 -1.36 0.00 0.00 31.31 30.31 1iyh n TRP 148 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1iyh h ALA 149 N 2.64 0.45 -0.68 -1.67 0.00 -1.88 -1.33 119.26 116.79 1iyh h ALA 149 Ca 0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.31 1iyh h ALA 149 Cb 0.12 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1iyh h ALA 149 CO 0.00 0.69 0.22 -0.44 0.00 0.00 0.00 179.25 179.72 1iyh h ASP 150 N 0.58 0.99 -0.34 0.00 5.19 -1.70 -1.25 116.42 119.90 1iyh h ASP 150 Ca -0.01 -0.21 0.03 0.00 -0.62 0.00 0.00 57.03 56.22 1iyh h ASP 150 Cb 1.25 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 40.47 1iyh h ASP 150 CO 0.13 0.94 0.16 -0.26 -3.12 0.00 0.00 179.24 177.09 1iyh h PHE 151 N 1.00 0.29 -0.45 4.55 -1.00 -1.48 -1.77 116.94 118.08 1iyh h PHE 151 Ca 0.22 0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.97 1iyh h PHE 151 Cb 0.29 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.75 1iyh h PHE 151 CO 0.02 0.15 0.08 -0.92 -1.61 0.00 0.00 178.31 176.04 1iyh h TYR 152 N 0.33 0.70 -0.19 -0.55 3.20 -0.78 -0.94 116.97 118.74 1iyh h TYR 152 Ca 0.14 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1iyh h TYR 152 Cb 0.07 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 1iyh h TYR 152 CO -0.11 0.62 0.07 2.35 -1.64 0.00 0.00 178.16 179.45 1iyh h TRP 153 N 0.66 0.29 -1.01 -3.82 2.91 -0.80 -0.36 115.95 113.83 1iyh h TRP 153 Ca 0.15 -0.03 0.02 0.00 1.13 0.00 0.00 58.89 60.16 1iyh h TRP 153 Cb 0.29 -0.09 -0.05 0.00 -0.51 0.00 0.00 29.16 28.80 1iyh h TRP 153 CO 0.01 0.36 0.67 1.49 -1.03 0.00 0.00 178.44 179.94 1iyh h GLU 154 N 0.14 1.30 -0.08 2.65 4.22 -0.94 -0.17 114.58 121.70 1iyh h GLU 154 Ca 0.06 -0.08 -0.03 0.00 0.08 0.00 0.00 59.36 59.40 1iyh h GLU 154 Cb 0.20 -0.29 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 1iyh h GLU 154 CO -0.00 0.86 -0.05 0.82 -2.18 0.00 0.00 179.01 178.46 1iyh h ILE 155 N 1.34 1.34 -0.16 2.32 2.04 -0.96 -2.04 117.51 121.38 1iyh h ILE 155 Ca 0.38 -1.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.11 1iyh h ILE 155 Cb -0.12 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1iyh h ILE 155 CO -0.09 0.31 0.03 0.00 0.00 0.00 0.00 178.15 178.39 1iyh h SER 157 N 0.06 0.34 -0.72 0.00 4.64 -1.10 -0.85 113.55 115.92 1iyh h SER 157 Ca 0.05 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1iyh h SER 157 Cb 0.30 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.27 1iyh h SER 157 CO 0.00 0.33 0.44 0.74 -0.87 0.00 0.00 176.83 177.47 1iyh h THR 158 N 0.38 1.20 -0.18 2.95 2.02 -1.17 0.56 112.91 118.67 1iyh h THR 158 Ca 0.09 -0.43 -0.20 0.00 0.77 0.00 0.00 66.41 66.64 1iyh h THR 158 Cb 0.12 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 1iyh h THR 158 CO -0.01 0.21 -0.69 0.74 0.37 0.00 0.00 175.52 176.14 1iyh h THR 159 N 0.98 1.30 -0.75 3.16 2.02 -1.22 -3.10 112.91 115.29 1iyh h THR 159 Ca 0.26 -1.91 -0.06 0.00 0.77 0.00 0.00 66.41 65.46 1iyh h THR 159 Cb -0.04 1.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 1iyh h THR 159 CO -0.05 0.61 0.24 -0.07 0.37 0.00 0.00 175.52 176.62 1iyh h LEU 160 N 0.52 1.09 -2.35 2.58 3.38 -0.85 -2.34 115.31 117.34 1iyh h LEU 160 Ca -0.03 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1iyh h LEU 160 Cb 1.29 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 1iyh h LEU 160 CO 0.14 1.00 -0.04 -0.07 0.09 0.00 0.00 178.44 179.56 1iyh h LEU 161 N 1.12 0.00 -0.83 1.67 3.38 -0.85 0.85 115.31 120.64 1iyh h LEU 161 Ca 0.24 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 1iyh h LEU 161 Cb 0.30 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1iyh h LEU 161 CO -0.01 0.04 0.23 0.58 0.09 0.00 0.00 178.44 179.37 1iyh h VAL 162 N 0.00 1.25 0.00 1.22 2.07 -1.34 -2.72 116.25 116.73 1iyh h VAL 162 Ca -0.00 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1iyh h VAL 162 Cb 0.14 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1iyh h VAL 162 CO 0.01 0.34 -1.23 0.49 0.02 0.00 0.00 177.57 177.20 1iyh n PHE 163 N -4.26 0.24 -3.19 1.57 3.01 -0.48 -4.67 117.46 109.68 1iyh n PHE 163 Ca 0.06 0.07 -0.20 0.00 1.01 0.00 0.00 57.45 58.39 1iyh n PHE 163 Cb 0.22 -0.44 -0.06 0.00 -0.01 0.00 0.00 39.48 39.18 1iyh n PHE 163 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1iyh n LYS 164 N -2.04 0.34 -0.28 -1.08 3.00 0.17 -5.02 118.16 113.26 1iyh n LYS 164 Ca 0.01 -2.84 0.28 0.00 -0.00 0.00 0.00 58.31 55.75 1iyh n LYS 164 Cb 0.46 -1.57 0.64 0.00 0.00 0.00 0.00 35.03 34.56 1iyh n LYS 164 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1iyh h PRO 165 N 5.25 0.17 -0.62 1.64 0.11 -1.73 -0.88 132.00 135.94 1iyh h PRO 165 Ca 0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1iyh h PRO 165 Cb 0.96 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1iyh h PRO 165 CO 0.29 0.11 0.00 -0.40 -0.21 0.00 0.00 178.00 177.79 1iyh n ASP 166 N -4.39 3.72 -0.30 -2.05 5.75 -1.26 -4.57 116.55 113.45 1iyh n ASP 166 Ca 0.23 -2.34 0.14 0.00 -0.01 0.00 0.00 54.79 52.81 1iyh n ASP 166 Cb 1.00 -0.50 0.30 0.00 -1.03 0.00 0.00 41.12 40.89 1iyh n ASP 166 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1iyh h LEU 167 N 3.07 0.05 -3.15 -2.12 5.85 -1.53 -2.18 115.31 115.29 1iyh h LEU 167 Ca 0.00 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1iyh h LEU 167 Cb 1.17 0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.45 1iyh h LEU 167 CO 0.18 -0.15 0.00 0.18 -0.34 0.00 0.00 178.44 178.31 1iyh n LEU 168 N -5.21 4.09 0.22 2.25 4.32 -1.26 -4.63 117.00 116.77 1iyh n LEU 168 Ca 0.22 -2.57 0.15 0.00 -0.02 0.00 0.00 56.01 53.79 1iyh n LEU 168 Cb 0.71 -0.49 0.79 0.00 -1.62 0.00 0.00 43.42 42.81 1iyh n LEU 168 CO 0.07 0.73 1.13 0.44 -1.22 0.00 0.00 177.39 178.53 1iyh h ASP 169 N 2.78 0.00 -0.05 -1.43 5.19 -1.71 -0.76 116.42 120.44 1iyh h ASP 169 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1iyh h ASP 169 Cb 1.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.83 1iyh h ASP 169 CO 0.19 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 176.90 1iyh n ASN 170 N -4.06 2.84 -3.28 6.45 5.03 -1.26 -4.64 115.26 116.34 1iyh n ASN 170 Ca 0.00 -1.94 -0.25 0.00 0.87 0.00 0.00 54.58 53.26 1iyh n ASN 170 Cb 0.24 -0.02 -0.07 0.00 -1.02 0.00 0.00 39.78 38.91 1iyh n ASN 170 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1iyh n HIS 171 N 1.21 1.40 0.09 3.10 8.25 -0.29 -4.94 115.22 124.04 1iyh n HIS 171 Ca 0.15 -3.82 0.17 0.00 -0.26 0.00 0.00 57.72 53.96 1iyh n HIS 171 Cb 0.57 -0.44 0.70 0.00 1.12 0.00 0.00 29.99 31.94 1iyh n HIS 171 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1iyh h PRO 172 N 4.04 0.00 0.00 -0.41 0.13 -1.83 -0.98 132.00 132.95 1iyh h PRO 172 Ca 0.13 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.19 1iyh h PRO 172 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 1iyh h PRO 172 CO 0.63 0.00 -0.30 0.00 -0.23 0.00 0.00 178.00 178.09 1iyh h ARG 173 N 0.00 0.00 0.00 0.86 3.08 -1.92 -0.89 114.38 115.50 1iyh h ARG 173 Ca 0.17 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.12 1iyh h ARG 173 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 1iyh h ARG 173 CO -0.00 0.30 -0.49 -0.07 -1.07 0.00 0.00 179.97 178.64 1iyh h LEU 174 N 0.00 0.00 -0.05 3.04 3.38 -1.56 -2.65 115.31 117.47 1iyh h LEU 174 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 1iyh h LEU 174 Cb 0.61 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.37 1iyh h LEU 174 CO 0.04 0.49 -0.76 0.58 0.09 0.00 0.00 178.44 178.88 1iyh h VAL 175 N 0.00 1.34 -0.86 1.22 2.07 -1.24 -2.74 116.25 116.04 1iyh h VAL 175 Ca -0.00 -2.07 0.02 0.00 0.82 0.00 0.00 66.70 65.47 1iyh h VAL 175 Cb 1.34 2.34 -0.05 0.00 -1.52 0.00 0.00 31.29 33.41 1iyh h VAL 175 CO 0.06 0.63 0.56 0.74 0.02 0.00 0.00 177.57 179.59 1iyh h THR 176 N 0.21 1.19 -0.45 2.57 2.02 -1.19 -1.11 112.91 116.16 1iyh h THR 176 Ca -0.08 -0.39 0.01 0.00 0.77 0.00 0.00 66.41 66.72 1iyh h THR 176 Cb 1.43 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1iyh h THR 176 CO 0.15 0.21 0.29 0.25 0.37 0.00 0.00 175.52 176.79 1iyh h LEU 177 N 1.13 0.50 -0.37 2.58 5.85 -1.44 -0.26 115.31 123.31 1iyh h LEU 177 Ca 0.33 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.07 1iyh h LEU 177 Cb -0.08 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 1iyh h LEU 177 CO -0.09 0.36 0.15 0.03 -0.34 0.00 0.00 178.44 178.56 1iyh h ARG 178 N 0.59 0.31 -0.64 1.25 3.08 -1.08 -1.93 114.38 115.98 1iyh h ARG 178 Ca 0.17 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1iyh h ARG 178 Cb -0.06 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 1iyh h ARG 178 CO -0.04 0.21 0.41 0.87 -1.07 0.00 0.00 179.97 180.34 1iyh h LYS 179 N 0.32 0.84 -0.28 0.04 1.57 -0.63 -0.23 116.57 118.21 1iyh h LYS 179 Ca 0.16 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 1iyh h LYS 179 Cb 0.11 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1iyh h LYS 179 CO -0.14 0.57 -0.28 0.87 -0.57 0.00 0.00 179.45 179.90 1iyh h LYS 180 N 0.87 0.56 -0.20 3.15 1.57 -0.47 -0.77 116.57 121.28 1iyh h LYS 180 Ca 0.23 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1iyh h LYS 180 Cb -0.08 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 1iyh h LYS 180 CO -0.05 0.78 -0.11 0.28 -0.57 0.00 0.00 179.45 179.78 1iyh h VAL 181 N 0.48 1.31 0.00 0.50 2.07 -0.61 -2.77 116.25 117.24 1iyh h VAL 181 Ca 0.06 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1iyh h VAL 181 Cb 0.73 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1iyh h VAL 181 CO 0.06 0.36 0.00 1.56 0.02 0.00 0.00 177.57 179.56 1iyh h GLN 182 N 0.12 0.00 0.00 1.57 4.20 -0.86 -2.66 115.11 117.48 1iyh h GLN 182 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1iyh h GLN 182 Cb 0.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1iyh h GLN 182 CO 0.03 0.00 -0.66 0.00 -0.67 0.00 0.00 178.83 177.54 1iyh h ALA 183 N 2.18 0.57 -2.40 3.87 0.00 -0.85 -3.32 119.26 119.30 1iyh h ALA 183 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1iyh h ALA 183 Cb 0.29 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.10 1iyh h ALA 183 CO 0.00 0.00 1.08 0.42 0.00 0.00 0.00 179.25 180.75 1iyh s ILE 184 N -3.18 3.06 0.17 0.00 1.01 -1.00 -4.81 121.20 116.44 1iyh s ILE 184 Ca 0.06 0.36 -0.28 0.00 0.00 0.00 0.00 60.65 60.80 1iyh s ILE 184 Cb 0.13 -3.23 -0.02 0.00 0.01 0.00 0.00 42.46 39.35 1iyh s ILE 184 CO 0.73 -0.01 1.48 -2.65 0.00 0.00 0.00 174.94 174.49 1iyh n PRO 185 N 6.32 -0.39 -0.01 2.79 -0.02 -1.26 0.02 135.00 142.44 1iyh n PRO 185 Ca 0.17 1.46 -0.00 0.00 -2.02 0.00 0.00 63.50 63.11 1iyh n PRO 185 Cb 0.41 -2.14 0.29 0.00 -0.02 0.00 0.00 33.50 32.04 1iyh n PRO 185 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iyh h ALA 186 N 0.62 1.38 -0.12 3.55 0.00 -1.90 -1.46 119.26 121.33 1iyh h ALA 186 Ca 0.18 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1iyh h ALA 186 Cb 0.42 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1iyh h ALA 186 CO -0.91 0.44 -0.43 0.28 0.00 0.00 0.00 179.25 178.63 1iyh h VAL 187 N 0.54 1.37 -0.65 0.00 2.07 -1.56 -2.42 116.25 115.60 1iyh h VAL 187 Ca 0.12 -1.74 0.08 0.00 0.82 0.00 0.00 66.70 65.98 1iyh h VAL 187 Cb 0.30 2.13 -0.06 0.00 -1.52 0.00 0.00 31.29 32.14 1iyh h VAL 187 CO 0.01 0.52 0.32 0.00 0.02 0.00 0.00 177.57 178.43 1iyh h ALA 188 N 0.50 0.86 -0.53 1.67 0.00 -0.17 0.14 119.26 121.74 1iyh h ALA 188 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1iyh h ALA 188 Cb 1.06 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1iyh h ALA 188 CO 0.09 -0.06 0.34 -0.97 0.00 0.00 0.00 179.25 178.65 1iyh h ASN 189 N 0.57 0.62 -0.44 0.00 -1.24 -1.23 -1.56 115.58 112.29 1iyh h ASN 189 Ca 0.31 -0.03 -0.07 0.00 0.71 0.00 0.00 56.30 57.22 1iyh h ASN 189 Cb 0.28 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.16 1iyh h ASN 189 CO -0.23 0.46 0.01 -0.25 -1.29 0.00 0.00 177.43 176.13 1iyh h TRP 190 N 0.72 0.83 -0.31 0.67 2.91 -0.84 -1.96 115.95 117.97 1iyh h TRP 190 Ca 0.19 -0.14 -0.00 0.00 1.13 0.00 0.00 58.89 60.07 1iyh h TRP 190 Cb -0.06 -0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 28.35 1iyh h TRP 190 CO -0.03 0.81 0.18 0.82 -1.03 0.00 0.00 178.44 179.19 1iyh h ILE 191 N 0.61 1.10 0.04 2.65 2.04 -0.73 0.10 117.51 123.33 1iyh h ILE 191 Ca 0.13 -0.24 -0.23 0.00 1.00 0.00 0.00 64.86 65.52 1iyh h ILE 191 Cb 0.47 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1iyh h ILE 191 CO 0.02 0.10 -1.02 0.50 0.00 0.00 0.00 178.15 177.75 1iyh h LYS 192 N 0.43 0.20 0.00 2.37 3.64 -1.04 -3.35 116.57 118.81 1iyh h LYS 192 Ca 0.11 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1iyh h LYS 192 Cb 0.00 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1iyh h LYS 192 CO -0.02 1.06 -1.56 0.54 -2.27 0.00 0.00 179.45 177.20 1iyh n ARG 193 N -3.57 0.63 -1.23 1.90 1.74 -0.76 -4.99 116.66 110.39 1iyh n ARG 193 Ca -0.05 -0.06 -0.34 0.00 -0.77 0.00 0.00 57.85 56.63 1iyh n ARG 193 Cb 0.90 -1.65 0.12 0.00 -1.02 0.00 0.00 32.46 30.81 1iyh n ARG 193 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1iyh s ARG 194 N -3.45 1.80 0.28 5.56 1.70 0.32 -4.91 118.95 120.26 1iyh s ARG 194 Ca -0.05 1.79 -0.30 0.00 -0.47 0.00 0.00 55.73 56.70 1iyh s ARG 194 Cb 0.12 -1.79 -0.11 0.00 -0.57 0.00 0.00 34.95 32.60 1iyh s ARG 194 CO 0.86 -2.10 1.57 -2.14 -1.08 0.00 0.00 175.30 172.41 1iyh s PRO 195 N -4.03 4.15 -0.40 3.89 0.02 -1.26 -4.92 135.00 132.44 1iyh s PRO 195 Ca 0.74 2.53 -0.27 0.00 0.02 0.00 0.00 61.00 64.02 1iyh s PRO 195 Cb -0.30 -3.04 0.02 0.00 0.02 0.00 0.00 34.50 31.21 1iyh s PRO 195 CO 0.49 -0.60 1.03 -0.65 -0.33 0.00 0.00 177.00 176.94 1iyh s GLN 196 N -0.48 3.81 0.15 5.54 -0.21 -1.26 -4.94 119.66 122.28 1iyh s GLN 196 Ca 0.63 0.63 0.05 0.00 0.02 0.00 0.00 55.36 56.69 1iyh s GLN 196 Cb -0.47 -3.84 -0.04 0.00 1.00 0.00 0.00 33.01 29.66 1iyh s GLN 196 CO 0.47 -1.11 -0.11 0.95 -2.12 0.00 0.00 175.29 173.37 1iyh s THR 197 N 3.86 1.28 0.07 -0.19 -4.23 -1.26 -5.06 115.64 110.11 1iyh s THR 197 Ca 0.43 -2.04 -0.20 0.00 -1.18 0.00 0.00 61.69 58.70 1iyh s THR 197 Cb -0.10 -1.83 -0.10 0.00 1.34 0.00 0.00 72.50 71.80 1iyh s THR 197 CO 0.23 -0.68 1.51 0.50 -0.54 0.00 0.00 174.62 175.64 1iyh h LYS 198 N 2.85 0.34 -0.01 3.99 3.64 -1.95 -3.47 116.57 121.96 1iyh h LYS 198 Ca -0.37 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1iyh h LYS 198 Cb 1.20 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1iyh h LYS 198 CO 0.61 0.54 0.00 1.28 -2.27 0.00 0.00 179.45 179.61