#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iyi s ASN 3 N 0.00 6.82 -0.07 2.55 0.02 -1.26 -4.93 114.94 118.06 1iyi s ASN 3 Ca 0.00 0.98 0.04 0.00 -1.02 0.00 0.00 52.86 52.86 1iyi s ASN 3 Cb 0.00 -2.33 -0.01 0.00 0.02 0.00 0.00 41.25 38.92 1iyi s ASN 3 CO 0.00 -0.01 -0.21 -0.31 0.02 0.00 0.00 177.10 176.59 1iyi s TYR 4 N 0.53 2.56 -0.18 2.20 1.51 -1.26 -1.42 117.35 121.29 1iyi s TYR 4 Ca 0.30 -0.63 -0.02 0.00 -1.01 0.00 0.00 57.07 55.71 1iyi s TYR 4 Cb -0.16 -1.65 0.05 0.00 -0.11 0.00 0.00 41.96 40.09 1iyi s TYR 4 CO 0.14 -0.16 0.02 0.21 -1.11 0.00 0.00 175.55 174.65 1iyi s LYS 5 N -0.15 0.71 -0.18 -0.62 2.20 -0.29 -1.22 119.74 120.19 1iyi s LYS 5 Ca -0.03 -0.37 -0.14 0.00 -0.36 0.00 0.00 55.97 55.07 1iyi s LYS 5 Cb -0.14 -1.96 -0.04 0.00 -1.51 0.00 0.00 37.83 34.17 1iyi s LYS 5 CO 0.04 -0.58 0.32 -1.17 -0.36 0.00 0.00 175.35 173.60 1iyi s LEU 6 N 1.85 4.19 -0.13 5.43 2.96 -0.15 -0.65 118.68 132.20 1iyi s LEU 6 Ca -0.00 0.47 0.01 0.00 -0.22 0.00 0.00 54.13 54.39 1iyi s LEU 6 Cb -0.16 -2.40 -0.00 0.00 0.50 0.00 0.00 46.19 44.12 1iyi s LEU 6 CO -0.08 0.03 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.91 1iyi s THR 7 N 0.86 2.56 0.28 3.68 2.01 -0.74 -0.38 115.64 123.92 1iyi s THR 7 Ca 0.17 -0.83 -0.19 0.00 0.31 0.00 0.00 61.69 61.15 1iyi s THR 7 Cb -0.14 -2.05 0.07 0.00 0.01 0.00 0.00 72.50 70.39 1iyi s THR 7 CO 0.06 0.53 0.92 -0.47 -0.69 0.00 0.00 174.62 174.97 1iyi s TYR 8 N 0.50 0.09 0.89 4.92 5.04 -0.71 -2.86 117.35 125.24 1iyi s TYR 8 Ca -0.12 -0.63 -0.13 0.00 -2.44 0.00 0.00 57.07 53.75 1iyi s TYR 8 Cb -0.16 0.77 0.13 0.00 0.35 0.00 0.00 41.96 43.05 1iyi s TYR 8 CO 0.05 -1.25 1.18 -0.06 -1.34 0.00 0.00 175.55 174.13 1iyi s PHE 9 N -2.24 2.47 -1.21 4.97 0.40 -1.26 -0.89 117.98 120.22 1iyi s PHE 9 Ca 0.19 0.71 -0.17 0.00 -0.60 0.00 0.00 56.93 57.05 1iyi s PHE 9 Cb -0.04 -3.55 0.10 0.00 0.51 0.00 0.00 43.02 40.04 1iyi s PHE 9 CO 0.08 -2.23 1.58 1.21 0.70 0.00 0.00 175.22 176.56 1iyi s ASN 10 N -4.39 6.85 0.02 1.36 2.47 -1.24 -4.66 114.94 115.36 1iyi s ASN 10 Ca 0.65 -2.46 -0.29 0.00 0.42 0.00 0.00 52.86 51.18 1iyi s ASN 10 Cb -0.11 -2.52 0.10 0.00 -1.45 0.00 0.00 41.25 37.27 1iyi s ASN 10 CO 0.52 -1.08 1.06 0.00 -3.72 0.00 0.00 177.10 173.87 1iyi s MET 11 N 3.46 0.78 -0.01 0.43 0.23 -1.26 -4.93 119.30 117.99 1iyi s MET 11 Ca 0.48 -0.39 -0.10 0.00 -1.03 0.00 0.00 55.69 54.66 1iyi s MET 11 Cb 0.01 0.29 -0.05 0.00 -1.53 0.00 0.00 34.83 33.55 1iyi s MET 11 CO 0.02 -0.35 0.62 0.00 -2.03 0.00 0.00 175.02 173.28 1iyi h ARG 12 N 2.00 -0.34 0.00 3.16 3.08 -1.84 -3.45 114.38 116.99 1iyi h ARG 12 Ca -0.23 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1iyi h ARG 12 Cb 1.22 0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.34 1iyi h ARG 12 CO 0.27 -0.23 0.00 0.41 -1.07 0.00 0.00 179.97 179.35 1iyi n GLY 13 N 0.34 1.62 0.00 0.04 0.00 0.11 -1.49 105.19 105.82 1iyi n GLY 13 Ca -0.04 -0.20 0.14 0.00 0.00 0.00 0.00 46.02 45.92 1iyi n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iyi n ARG 14 N 14.00 0.29 0.05 1.61 1.74 -1.26 -3.34 116.66 129.75 1iyi n ARG 14 Ca 0.00 0.02 0.11 0.00 -0.77 0.00 0.00 57.85 57.21 1iyi n ARG 14 Cb 0.00 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 29.92 1iyi n ARG 14 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iyi n ALA 15 N -1.35 2.92 -0.23 7.54 0.00 -0.98 -4.39 120.51 124.02 1iyi n ALA 15 Ca 0.12 -0.36 0.07 0.00 0.00 0.00 0.00 53.44 53.27 1iyi n ALA 15 Cb 0.26 -0.98 0.34 0.00 0.00 0.00 0.00 19.45 19.06 1iyi n ALA 15 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1iyi h GLU 16 N 0.00 0.77 -0.62 0.00 4.57 -1.26 -0.79 114.58 117.25 1iyi h GLU 16 Ca 0.00 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 1iyi h GLU 16 Cb 0.89 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 29.28 1iyi h GLU 16 CO 0.00 0.51 0.30 0.97 -1.18 0.00 0.00 179.01 179.61 1iyi h ILE 17 N 0.80 1.20 -0.36 2.32 6.09 -1.81 0.73 117.51 126.47 1iyi h ILE 17 Ca 0.36 -0.58 -0.12 0.00 -1.37 0.00 0.00 64.86 63.16 1iyi h ILE 17 Cb 0.37 0.41 -0.01 0.00 0.47 0.00 0.00 36.82 38.06 1iyi h ILE 17 CO -0.14 0.24 -0.23 0.40 -3.07 0.00 0.00 178.15 175.35 1iyi h ILE 18 N 0.88 1.28 -0.42 2.19 2.04 -1.45 -2.57 117.51 119.47 1iyi h ILE 18 Ca 0.22 -1.38 -0.04 0.00 1.00 0.00 0.00 64.86 64.65 1iyi h ILE 18 Cb 0.10 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1iyi h ILE 18 CO -0.03 0.46 0.08 0.03 0.00 0.00 0.00 178.15 178.69 1iyi h ARG 19 N 0.59 0.63 -0.49 2.37 3.08 -0.43 -1.76 114.38 118.37 1iyi h ARG 19 Ca 0.07 -0.12 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 1iyi h ARG 19 Cb 0.80 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 1iyi h ARG 19 CO 0.06 0.59 -0.02 1.88 -1.07 0.00 0.00 179.97 181.41 1iyi h TYR 20 N 0.61 0.96 -0.35 3.04 -1.99 -0.75 -1.82 116.97 116.66 1iyi h TYR 20 Ca 0.14 -0.17 -0.03 0.00 2.00 0.00 0.00 58.73 60.67 1iyi h TYR 20 Cb 0.26 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 38.73 1iyi h TYR 20 CO 0.01 0.91 0.12 0.82 -0.00 0.00 0.00 178.16 180.02 1iyi h ILE 21 N 0.73 1.20 -0.83 -2.88 2.04 -1.05 0.18 117.51 116.91 1iyi h ILE 21 Ca 0.14 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 1iyi h ILE 21 Cb 0.54 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 1iyi h ILE 21 CO 0.03 0.22 0.49 -0.26 0.00 0.00 0.00 178.15 178.63 1iyi h PHE 22 N 0.42 1.10 -0.00 1.37 0.05 -1.28 0.10 116.94 118.69 1iyi h PHE 22 Ca 0.11 -0.01 -0.00 0.00 3.82 0.00 0.00 57.97 61.90 1iyi h PHE 22 Cb 0.23 -0.36 -0.00 0.00 2.00 0.00 0.00 35.95 37.82 1iyi h PHE 22 CO 0.00 0.74 0.00 0.00 -0.18 0.00 0.00 178.31 178.87 1iyi h ALA 23 N 1.26 0.00 -0.73 2.45 0.00 -1.00 -0.72 119.26 120.53 1iyi h ALA 23 Ca 0.30 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1iyi h ALA 23 Cb -0.03 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1iyi h ALA 23 CO -0.05 -0.38 0.45 -0.92 0.00 0.00 0.00 179.25 178.35 1iyi h TYR 24 N -0.23 0.84 -0.02 0.00 3.20 -0.36 -1.94 116.97 118.47 1iyi h TYR 24 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1iyi h TYR 24 Cb 0.23 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.23 1iyi h TYR 24 CO 0.00 0.47 0.00 1.28 -1.64 0.00 0.00 178.16 178.27 1iyi n LEU 25 N -4.66 0.58 -3.64 2.82 4.77 -0.00 -4.93 117.00 111.93 1iyi n LEU 25 Ca 0.08 -0.20 -0.23 0.00 -0.03 0.00 0.00 56.01 55.63 1iyi n LEU 25 Cb 0.11 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1iyi n LEU 25 CO 0.32 0.10 -0.06 -0.67 -1.33 0.00 0.00 177.39 175.76 1iyi n ASP 26 N -0.52 -2.82 -4.33 -1.43 4.64 -0.51 -4.99 116.55 106.59 1iyi n ASP 26 Ca 0.21 -0.85 -0.33 0.00 -1.38 0.00 0.00 54.79 52.43 1iyi n ASP 26 Cb 0.19 -4.05 -0.15 0.00 -1.04 0.00 0.00 41.12 36.08 1iyi n ASP 26 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1iyi s ILE 27 N -3.59 2.94 0.41 5.18 1.01 -0.39 -5.05 121.20 121.70 1iyi s ILE 27 Ca 0.17 -0.69 -0.24 0.00 0.00 0.00 0.00 60.65 59.90 1iyi s ILE 27 Cb -0.05 -2.25 -0.09 0.00 0.01 0.00 0.00 42.46 40.09 1iyi s ILE 27 CO 0.81 0.51 1.06 -1.10 0.00 0.00 0.00 174.94 176.23 1iyi s GLN 28 N 0.62 4.09 0.15 2.79 -1.52 -1.26 -4.68 119.66 119.84 1iyi s GLN 28 Ca -0.07 1.54 -0.24 0.00 -1.95 0.00 0.00 55.36 54.64 1iyi s GLN 28 Cb -0.16 -2.50 0.07 0.00 -0.22 0.00 0.00 33.01 30.21 1iyi s GLN 28 CO 0.03 -0.21 0.68 1.52 -0.25 0.00 0.00 175.29 177.05 1iyi s TYR 29 N -1.66 -0.45 -0.34 0.91 -0.85 -1.26 -4.65 117.35 109.04 1iyi s TYR 29 Ca 0.59 0.22 -0.18 0.00 -0.52 0.00 0.00 57.07 57.18 1iyi s TYR 29 Cb -0.22 0.58 -0.01 0.00 0.38 0.00 0.00 41.96 42.69 1iyi s TYR 29 CO 0.28 -0.84 0.52 -2.00 -1.52 0.00 0.00 175.55 171.99 1iyi s GLU 30 N -3.64 3.67 -1.01 -3.49 2.12 -0.36 -4.99 118.70 110.99 1iyi s GLU 30 Ca 0.03 -0.09 -0.16 0.00 0.36 0.00 0.00 54.97 55.11 1iyi s GLU 30 Cb -0.02 -3.79 0.17 0.00 0.26 0.00 0.00 34.13 30.75 1iyi s GLU 30 CO -0.09 -0.62 1.17 0.34 -0.54 0.00 0.00 175.26 175.51 1iyi s ASP 31 N 1.74 6.84 -0.32 -1.70 3.68 -1.26 -0.97 116.67 124.68 1iyi s ASP 31 Ca 0.19 -2.55 -0.25 0.00 2.13 0.00 0.00 52.55 52.08 1iyi s ASP 31 Cb -0.15 -2.36 0.01 0.00 -1.45 0.00 0.00 42.92 38.97 1iyi s ASP 31 CO 0.13 -0.84 0.86 -2.28 0.13 0.00 0.00 175.17 173.18 1iyi s HIS 32 N 1.67 3.18 -0.26 -5.34 5.65 0.49 -5.00 115.29 115.68 1iyi s HIS 32 Ca 0.33 0.88 -0.04 0.00 0.25 0.00 0.00 55.06 56.48 1iyi s HIS 32 Cb -0.05 -3.37 0.01 0.00 -1.18 0.00 0.00 32.58 27.99 1iyi s HIS 32 CO -0.06 -0.64 0.00 1.03 -0.65 0.00 0.00 174.74 174.42 1iyi s ARG 33 N 3.16 3.05 0.37 2.88 0.52 -1.26 -1.73 118.95 125.95 1iyi s ARG 33 Ca 0.36 -0.86 -0.02 0.00 -0.52 0.00 0.00 55.73 54.69 1iyi s ARG 33 Cb -0.13 -3.15 -0.04 0.00 0.52 0.00 0.00 34.95 32.15 1iyi s ARG 33 CO 0.14 -0.38 0.62 0.96 0.02 0.00 0.00 175.30 176.66 1iyi s ILE 34 N 1.43 5.03 0.23 1.52 -4.36 -0.07 -4.80 121.20 120.18 1iyi s ILE 34 Ca 0.02 -0.16 -0.00 0.00 -0.26 0.00 0.00 60.65 60.25 1iyi s ILE 34 Cb -0.16 -3.84 -0.04 0.00 1.25 0.00 0.00 42.46 39.67 1iyi s ILE 34 CO -0.01 -0.60 0.41 -1.61 0.24 0.00 0.00 174.94 173.37 1iyi s GLU 35 N -4.29 3.51 0.29 0.37 0.41 -1.26 -3.67 118.70 114.06 1iyi s GLU 35 Ca 0.43 -0.37 0.04 0.00 -0.41 0.00 0.00 54.97 54.66 1iyi s GLU 35 Cb -0.10 -2.82 0.66 0.00 -1.78 0.00 0.00 34.13 30.10 1iyi s GLU 35 CO 0.37 0.36 1.80 1.96 -0.49 0.00 0.00 175.26 179.27 1iyi h GLN 36 N 1.75 0.84 0.00 1.61 1.08 -2.01 0.23 115.11 118.60 1iyi h GLN 36 Ca -0.49 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 56.66 1iyi h GLN 36 Cb 1.20 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 28.44 1iyi h GLN 36 CO 0.66 0.55 -0.01 0.00 -0.95 0.00 0.00 178.83 179.09 1iyi h ALA 37 N 1.60 1.28 0.00 3.87 0.00 -2.05 -1.39 119.26 122.58 1iyi h ALA 37 Ca 0.55 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.31 1iyi h ALA 37 Cb 0.73 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1iyi h ALA 37 CO -0.34 0.01 -0.69 -0.44 0.00 0.00 0.00 179.25 177.80 1iyi h ASP 38 N 0.00 0.00 -0.98 0.00 3.45 -0.93 -3.40 116.42 114.56 1iyi h ASP 38 Ca -0.00 0.00 0.13 0.00 0.43 0.00 0.00 57.03 57.59 1iyi h ASP 38 Cb 0.05 0.00 -0.15 0.00 -0.56 0.00 0.00 39.33 38.67 1iyi h ASP 38 CO 0.00 0.64 -0.44 1.87 -1.57 0.00 0.00 179.24 179.73 1iyi n TRP 39 N -3.23 -0.11 -0.26 4.55 -0.00 -0.52 -1.82 117.44 116.04 1iyi n TRP 39 Ca 0.01 1.21 0.06 0.00 -0.00 0.00 0.00 57.50 58.78 1iyi n TRP 39 Cb 0.80 -0.78 0.19 0.00 -0.00 0.00 0.00 31.31 31.52 1iyi n TRP 39 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 1iyi h PRO 40 N 0.00 0.38 -0.07 5.87 0.11 -1.78 0.22 132.00 136.72 1iyi h PRO 40 Ca 0.28 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.34 1iyi h PRO 40 Cb 0.53 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.55 1iyi h PRO 40 CO -0.96 0.25 -0.10 0.93 -0.21 0.00 0.00 178.00 177.91 1iyi h GLU 41 N 0.39 0.20 0.06 1.05 3.07 -1.67 -3.15 114.58 114.52 1iyi h GLU 41 Ca 0.42 -0.11 0.01 0.00 -0.50 0.00 0.00 59.36 59.18 1iyi h GLU 41 Cb 0.67 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.57 1iyi h GLU 41 CO -0.44 0.66 -0.11 0.82 -1.40 0.00 0.00 179.01 178.54 1iyi h ILE 42 N -0.25 0.74 -0.89 3.13 1.08 -0.86 -2.78 117.51 117.68 1iyi h ILE 42 Ca 0.01 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.68 1iyi h ILE 42 Cb 0.64 0.74 -0.06 0.00 -3.07 0.00 0.00 36.82 35.06 1iyi h ILE 42 CO 0.02 0.00 0.59 0.50 -0.69 0.00 0.00 178.15 178.58 1iyi h LYS 43 N -0.22 0.37 0.00 2.37 3.64 -0.67 0.15 116.57 122.21 1iyi h LYS 43 Ca 0.02 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1iyi h LYS 43 Cb 0.24 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1iyi h LYS 43 CO -0.07 0.25 0.00 0.77 -2.27 0.00 0.00 179.45 178.13 1iyi h SER 44 N 0.38 0.00 -0.01 4.20 0.02 -1.45 -2.11 113.55 114.59 1iyi h SER 44 Ca 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 1iyi h SER 44 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1iyi h SER 44 CO -0.17 0.00 -0.55 0.35 -1.14 0.00 0.00 176.83 175.32 1iyi n THR 45 N -2.45 0.00 -3.06 -2.27 -2.24 0.50 -4.97 114.28 99.80 1iyi n THR 45 Ca -0.01 -0.22 -0.39 0.00 -2.27 0.00 0.00 64.05 61.16 1iyi n THR 45 Cb 0.11 1.17 -0.06 0.00 -2.10 0.00 0.00 70.33 69.44 1iyi n THR 45 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1iyi s LEU 46 N -2.46 4.58 0.29 3.22 1.43 -0.79 -4.98 118.68 119.95 1iyi s LEU 46 Ca 0.14 1.54 -0.03 0.00 -1.03 0.00 0.00 54.13 54.75 1iyi s LEU 46 Cb 0.16 -3.18 0.39 0.00 0.03 0.00 0.00 46.19 43.58 1iyi s LEU 46 CO 0.58 0.23 1.95 1.55 0.23 0.00 0.00 176.35 180.89 1iyi h PRO 47 N 4.38 1.15 0.00 1.29 0.13 -1.89 -3.19 132.00 133.87 1iyi h PRO 47 Ca -0.48 -0.07 -0.06 0.00 -0.87 0.00 0.00 66.00 64.52 1iyi h PRO 47 Cb 1.21 -0.26 -0.13 0.00 0.13 0.00 0.00 31.00 31.95 1iyi h PRO 47 CO 0.65 0.76 -0.63 1.19 -0.23 0.00 0.00 178.00 179.74 1iyi n PHE 48 N -4.40 0.00 -1.45 1.56 3.01 -1.26 -4.99 117.46 109.93 1iyi n PHE 48 Ca 0.10 -1.06 -0.16 0.00 1.01 0.00 0.00 57.45 57.35 1iyi n PHE 48 Cb 0.03 -0.20 -0.07 0.00 -0.01 0.00 0.00 39.48 39.23 1iyi n PHE 48 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1iyi n GLY 49 N -0.56 1.52 3.29 1.37 0.00 -1.21 -4.98 105.19 104.62 1iyi n GLY 49 Ca 0.14 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 1iyi n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iyi s LYS 50 N -3.29 1.16 0.23 1.61 -0.14 -1.26 -4.98 119.74 113.07 1iyi s LYS 50 Ca 0.00 -1.34 0.08 0.00 -1.36 0.00 0.00 55.97 53.35 1iyi s LYS 50 Cb 0.00 -1.10 -0.05 0.00 -1.68 0.00 0.00 37.83 35.00 1iyi s LYS 50 CO 0.00 0.22 -0.14 0.96 -0.76 0.00 0.00 175.35 175.62 1iyi s ILE 51 N -2.17 1.89 0.77 2.17 -4.36 -1.26 -4.59 121.20 113.65 1iyi s ILE 51 Ca 0.13 -2.24 -0.11 0.00 -0.26 0.00 0.00 60.65 58.17 1iyi s ILE 51 Cb -0.05 -2.16 0.05 0.00 1.25 0.00 0.00 42.46 41.56 1iyi s ILE 51 CO 0.05 -0.51 1.08 -2.16 0.24 0.00 0.00 174.94 173.64 1iyi s PRO 52 N -3.63 2.29 0.08 0.37 0.04 -1.26 -4.96 135.00 127.93 1iyi s PRO 52 Ca 0.25 0.81 0.03 0.00 0.04 0.00 0.00 61.00 62.13 1iyi s PRO 52 Cb -0.01 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 1iyi s PRO 52 CO 0.09 -1.52 -0.10 0.96 0.04 0.00 0.00 177.00 176.47 1iyi s ILE 53 N -3.07 0.84 -0.12 0.56 -4.36 -1.13 -3.60 121.20 110.32 1iyi s ILE 53 Ca 0.60 -1.49 -0.01 0.00 -0.26 0.00 0.00 60.65 59.50 1iyi s ILE 53 Cb -0.15 -1.17 0.03 0.00 1.25 0.00 0.00 42.46 42.42 1iyi s ILE 53 CO 0.55 -0.50 -0.06 -0.22 0.24 0.00 0.00 174.94 174.95 1iyi s LEU 54 N -2.20 1.19 -0.12 0.37 2.96 0.26 -1.79 118.68 119.36 1iyi s LEU 54 Ca 0.01 -0.36 -0.19 0.00 -0.22 0.00 0.00 54.13 53.38 1iyi s LEU 54 Cb -0.05 -0.80 -0.04 0.00 0.50 0.00 0.00 46.19 45.80 1iyi s LEU 54 CO -0.00 -0.14 0.51 -1.61 -1.32 0.00 0.00 176.35 173.79 1iyi s GLU 55 N 1.73 4.35 -0.23 1.98 2.02 0.18 -0.87 118.70 127.86 1iyi s GLU 55 Ca 0.04 0.51 0.01 0.00 0.02 0.00 0.00 54.97 55.55 1iyi s GLU 55 Cb -0.13 -3.44 0.06 0.00 0.10 0.00 0.00 34.13 30.71 1iyi s GLU 55 CO -0.08 0.13 -0.07 0.08 0.02 0.00 0.00 175.26 175.34 1iyi s VAL 56 N 0.70 1.62 -1.52 2.63 1.01 0.76 -1.14 120.40 124.46 1iyi s VAL 56 Ca 0.27 -1.21 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 1iyi s VAL 56 Cb -0.15 -1.82 0.05 0.00 0.00 0.00 0.00 36.38 34.45 1iyi s VAL 56 CO 0.11 -0.02 0.43 0.47 0.00 0.00 0.00 175.10 176.08 1iyi n ASP 57 N 4.65 -0.80 0.00 3.32 10.43 -0.50 -1.29 116.55 132.35 1iyi n ASP 57 Ca -0.13 -1.07 0.00 0.00 2.57 0.00 0.00 54.79 56.16 1iyi n ASP 57 Cb 0.44 -2.64 0.00 0.00 1.84 0.00 0.00 41.12 40.77 1iyi n ASP 57 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1iyi n GLY 58 N -1.94 1.78 3.66 0.44 0.00 -1.26 -5.04 105.19 102.84 1iyi n GLY 58 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 1iyi n GLY 58 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iyi s LEU 59 N 0.00 3.46 -0.14 0.99 1.43 -0.42 -5.09 118.68 118.91 1iyi s LEU 59 Ca 0.00 0.03 -0.14 0.00 -1.03 0.00 0.00 54.13 52.98 1iyi s LEU 59 Cb 0.00 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 1iyi s LEU 59 CO 0.00 0.32 0.32 -0.89 0.23 0.00 0.00 176.35 176.33 1iyi s THR 60 N -0.98 5.28 0.08 5.49 2.01 -1.26 -0.17 115.64 126.09 1iyi s THR 60 Ca 0.17 0.60 0.07 0.00 0.31 0.00 0.00 61.69 62.84 1iyi s THR 60 Cb -0.11 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 1iyi s THR 60 CO 0.06 0.41 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.49 1iyi s LEU 61 N 0.29 2.81 0.29 4.42 1.43 -0.05 -4.97 118.68 122.91 1iyi s LEU 61 Ca 0.18 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 1iyi s LEU 61 Cb -0.13 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 1iyi s LEU 61 CO 0.05 0.21 0.16 -1.38 0.23 0.00 0.00 176.35 175.62 1iyi s HIS 62 N -1.09 1.57 -0.01 0.29 -3.43 -1.26 -0.57 115.29 110.78 1iyi s HIS 62 Ca 0.18 -1.38 -0.01 0.00 -0.80 0.00 0.00 55.06 53.05 1iyi s HIS 62 Cb -0.11 -0.82 0.00 0.00 -1.43 0.00 0.00 32.58 30.22 1iyi s HIS 62 CO 0.10 -0.55 0.02 1.04 -2.00 0.00 0.00 174.74 173.35 1iyi n GLN 63 N -0.55 -1.31 -0.25 -0.38 1.13 -1.24 -4.34 117.38 110.44 1iyi n GLN 63 Ca 0.01 1.33 0.05 0.00 -1.94 0.00 0.00 57.00 56.46 1iyi n GLN 63 Cb 0.65 -1.76 0.17 0.00 0.11 0.00 0.00 30.24 29.40 1iyi n GLN 63 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1iyi h SER 64 N 1.10 -0.18 0.50 1.08 4.64 -1.84 -0.80 113.55 118.04 1iyi h SER 64 Ca -0.05 0.17 -0.18 0.00 -0.47 0.00 0.00 61.79 61.27 1iyi h SER 64 Cb 0.12 0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1iyi h SER 64 CO 0.00 -0.12 -0.76 -0.07 -0.87 0.00 0.00 176.83 175.01 1iyi h LEU 65 N 0.17 0.26 -0.56 5.97 3.38 -1.91 -0.11 115.31 122.51 1iyi h LEU 65 Ca 0.41 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 58.12 1iyi h LEU 65 Cb 0.72 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1iyi h LEU 65 CO -0.59 0.92 0.05 0.00 0.09 0.00 0.00 178.44 178.91 1iyi h ALA 66 N 1.07 0.75 -0.36 1.53 0.00 -1.63 -0.18 119.26 120.43 1iyi h ALA 66 Ca -0.03 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1iyi h ALA 66 Cb 1.34 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1iyi h ALA 66 CO 0.12 0.53 0.01 0.82 0.00 0.00 0.00 179.25 180.73 1iyi h ILE 67 N 0.84 1.26 -0.73 0.00 2.04 -1.06 -1.11 117.51 118.75 1iyi h ILE 67 Ca 0.16 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 65.08 1iyi h ILE 67 Cb 0.48 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 1iyi h ILE 67 CO 0.02 0.32 0.48 0.00 0.00 0.00 0.00 178.15 178.96 1iyi h ALA 68 N 0.87 0.95 -0.52 1.87 0.00 -0.79 -0.06 119.26 121.58 1iyi h ALA 68 Ca 0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1iyi h ALA 68 Cb 0.45 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1iyi h ALA 68 CO 0.02 0.30 0.17 -0.09 0.00 0.00 0.00 179.25 179.65 1iyi h ARG 69 N 0.95 0.81 -0.27 0.00 2.43 -0.86 -2.06 114.38 115.37 1iyi h ARG 69 Ca 0.28 -0.17 0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1iyi h ARG 69 Cb -0.05 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 1iyi h ARG 69 CO -0.08 0.74 0.09 -0.92 -1.51 0.00 0.00 179.97 178.29 1iyi h TYR 70 N 0.71 0.17 0.00 2.20 3.20 -0.44 -2.29 116.97 120.52 1iyi h TYR 70 Ca 0.17 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 1iyi h TYR 70 Cb 0.26 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 1iyi h TYR 70 CO 0.01 0.08 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.32 1iyi h LEU 71 N 0.22 0.00 -0.45 2.82 3.38 -0.83 -2.98 115.31 117.47 1iyi h LEU 71 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1iyi h LEU 71 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1iyi h LEU 71 CO -0.12 0.22 -0.45 0.35 0.09 0.00 0.00 178.44 178.53 1iyi n THR 72 N -3.94 0.00 -1.74 0.22 -2.24 -0.79 -4.88 114.28 100.90 1iyi n THR 72 Ca -0.02 -0.12 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 1iyi n THR 72 Cb 0.30 0.64 -0.02 0.00 -2.10 0.00 0.00 70.33 69.16 1iyi n THR 72 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1iyi n LYS 73 N -0.78 2.68 -1.42 -0.78 5.02 -0.89 -1.51 118.16 120.48 1iyi n LYS 73 Ca 0.09 0.95 -0.13 0.00 -2.02 0.00 0.00 58.31 57.21 1iyi n LYS 73 Cb 0.37 -2.73 -0.05 0.00 -0.02 0.00 0.00 35.03 32.60 1iyi n LYS 73 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1iyi n ASN 74 N 2.11 -4.48 -4.53 4.39 3.02 -1.26 -5.01 115.26 109.50 1iyi n ASN 74 Ca 0.08 0.29 -0.25 0.00 -0.03 0.00 0.00 54.58 54.68 1iyi n ASN 74 Cb 0.37 -3.13 -0.11 0.00 -0.61 0.00 0.00 39.78 36.30 1iyi n ASN 74 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1iyi s THR 75 N -2.48 1.80 -1.53 3.41 -4.23 -0.57 -5.02 115.64 107.02 1iyi s THR 75 Ca 0.00 -2.06 0.15 0.00 -1.18 0.00 0.00 61.69 58.60 1iyi s THR 75 Cb 0.00 -2.78 0.30 0.00 1.34 0.00 0.00 72.50 71.36 1iyi s THR 75 CO 0.00 -0.10 1.41 -0.90 -0.54 0.00 0.00 174.62 174.49 1iyi n ASP 76 N -0.80 0.00 0.02 3.99 5.75 -1.26 -2.60 116.55 121.65 1iyi n ASP 76 Ca -0.04 -0.03 0.12 0.00 -0.01 0.00 0.00 54.79 54.82 1iyi n ASP 76 Cb 0.66 -0.23 0.16 0.00 -1.03 0.00 0.00 41.12 40.67 1iyi n ASP 76 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1iyi n LEU 77 N -1.23 0.60 0.04 -2.12 4.77 -1.26 -4.45 117.00 113.35 1iyi n LEU 77 Ca 0.08 0.02 -0.09 0.00 -0.03 0.00 0.00 56.01 55.98 1iyi n LEU 77 Cb 0.11 -0.18 0.05 0.00 -2.33 0.00 0.00 43.42 41.06 1iyi n LEU 77 CO 0.11 0.07 0.41 0.00 -1.33 0.00 0.00 177.39 176.65 1iyi h ALA 78 N 2.79 0.66 0.00 -1.18 0.00 -1.61 -2.25 119.26 117.68 1iyi h ALA 78 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1iyi h ALA 78 Cb 0.61 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1iyi h ALA 78 CO 0.00 0.73 0.00 0.41 0.00 0.00 0.00 179.25 180.39 1iyi n GLY 79 N 0.42 3.87 0.19 0.00 0.00 -1.26 -4.49 105.19 103.92 1iyi n GLY 79 Ca -0.04 -1.42 0.13 0.00 0.00 0.00 0.00 46.02 44.69 1iyi n GLY 79 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1iyi h ASN 80 N 0.00 0.00 -5.33 1.61 -0.26 -1.92 -3.44 115.58 106.25 1iyi h ASN 80 Ca 0.00 0.00 -0.22 0.00 -0.56 0.00 0.00 56.30 55.52 1iyi h ASN 80 Cb 0.00 0.00 -0.15 0.00 -1.06 0.00 0.00 38.32 37.11 1iyi h ASN 80 CO 0.00 0.00 -0.64 0.42 -1.06 0.00 0.00 177.43 176.15 1iyi s THR 81 N -3.25 0.16 0.26 2.81 -4.23 -1.26 -5.02 115.64 105.11 1iyi s THR 81 Ca 0.07 -1.95 -0.04 0.00 -1.18 0.00 0.00 61.69 58.59 1iyi s THR 81 Cb 0.08 -2.24 0.20 0.00 1.34 0.00 0.00 72.50 71.88 1iyi s THR 81 CO 0.61 -0.29 1.86 -0.33 -0.54 0.00 0.00 174.62 175.94 1iyi h GLU 82 N 2.74 1.07 -0.26 3.99 5.08 -1.99 0.20 114.58 125.41 1iyi h GLU 82 Ca -0.36 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 57.82 1iyi h GLU 82 Cb 1.22 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1iyi h GLU 82 CO 0.58 0.82 0.05 0.52 -1.00 0.00 0.00 179.01 179.98 1iyi h MET 83 N 1.06 0.43 -0.31 2.33 2.86 -1.99 -2.00 114.93 117.31 1iyi h MET 83 Ca 0.26 -0.11 -0.08 0.00 -2.06 0.00 0.00 59.70 57.71 1iyi h MET 83 Cb 0.11 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1iyi h MET 83 CO -0.03 0.54 -0.14 0.93 1.06 0.00 0.00 176.91 179.27 1iyi h GLU 84 N 0.24 0.54 -0.24 1.72 5.08 -1.86 -1.66 114.58 118.41 1iyi h GLU 84 Ca 0.08 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1iyi h GLU 84 Cb 0.32 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1iyi h GLU 84 CO 0.00 0.67 -0.01 1.96 -1.00 0.00 0.00 179.01 180.64 1iyi h GLN 85 N 0.50 0.36 -0.29 2.33 4.20 -0.41 0.17 115.11 121.97 1iyi h GLN 85 Ca 0.09 -0.07 -0.18 0.00 0.06 0.00 0.00 58.65 58.55 1iyi h GLN 85 Cb 0.54 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 1iyi h GLN 85 CO 0.03 0.40 -0.54 0.00 -0.67 0.00 0.00 178.83 178.06 1iyi h HIS 87 N 0.66 1.14 -0.30 0.00 3.86 -0.55 0.81 115.15 120.77 1iyi h HIS 87 Ca 0.02 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1iyi h HIS 87 Cb 1.14 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 29.26 1iyi h HIS 87 CO 0.07 0.90 0.20 0.28 0.86 0.00 0.00 177.93 180.24 1iyi h VAL 88 N 1.05 1.07 -0.55 2.45 2.07 -0.87 -0.49 116.25 120.98 1iyi h VAL 88 Ca 0.23 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1iyi h VAL 88 Cb 0.29 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1iyi h VAL 88 CO -0.01 0.07 0.35 0.44 0.02 0.00 0.00 177.57 178.44 1iyi h ASP 89 N 0.40 0.64 -0.36 0.57 3.32 -0.97 -1.99 116.42 118.03 1iyi h ASP 89 Ca 0.11 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1iyi h ASP 89 Cb -0.04 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 1iyi h ASP 89 CO -0.03 0.49 0.16 0.00 -1.72 0.00 0.00 179.24 178.14 1iyi h ALA 90 N 1.18 0.47 -0.51 3.45 0.00 -0.40 -0.46 119.26 122.99 1iyi h ALA 90 Ca 0.20 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1iyi h ALA 90 Cb -0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1iyi h ALA 90 CO -0.04 0.05 0.19 0.82 0.00 0.00 0.00 179.25 180.27 1iyi h ILE 91 N 0.44 1.22 -0.64 0.00 1.08 -1.00 -0.07 117.51 118.55 1iyi h ILE 91 Ca 0.12 -0.71 -0.01 0.00 -0.39 0.00 0.00 64.86 63.88 1iyi h ILE 91 Cb 0.15 0.72 -0.03 0.00 -3.07 0.00 0.00 36.82 34.59 1iyi h ILE 91 CO -0.01 0.26 0.37 0.58 -0.69 0.00 0.00 178.15 178.66 1iyi h VAL 92 N 0.69 1.19 -0.22 1.67 2.07 -1.17 -1.34 116.25 119.14 1iyi h VAL 92 Ca 0.17 -0.45 -0.11 0.00 0.82 0.00 0.00 66.70 67.13 1iyi h VAL 92 Cb 0.23 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1iyi h VAL 92 CO -0.01 0.20 -0.32 0.44 0.02 0.00 0.00 177.57 177.90 1iyi h ASP 93 N 0.86 0.46 -0.59 0.57 3.45 -0.78 0.30 116.42 120.71 1iyi h ASP 93 Ca 0.23 -0.18 -0.06 0.00 0.43 0.00 0.00 57.03 57.45 1iyi h ASP 93 Cb 0.00 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 38.62 1iyi h ASP 93 CO -0.04 0.76 0.15 0.74 -1.57 0.00 0.00 179.24 179.28 1iyi h THR 94 N 0.39 1.25 -0.13 0.35 2.02 -0.57 0.13 112.91 116.34 1iyi h THR 94 Ca 0.05 -0.90 -0.02 0.00 0.77 0.00 0.00 66.41 66.31 1iyi h THR 94 Cb 0.76 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1iyi h THR 94 CO 0.06 0.33 -0.01 -0.07 0.37 0.00 0.00 175.52 176.20 1iyi h LEU 95 N 0.85 0.24 -1.16 2.58 3.38 -0.99 -2.85 115.31 117.36 1iyi h LEU 95 Ca 0.19 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.87 1iyi h LEU 95 Cb 0.35 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 1iyi h LEU 95 CO 0.00 0.52 0.58 -0.78 0.09 0.00 0.00 178.44 178.85 1iyi h ASP 96 N -0.04 0.92 -0.46 -0.43 3.58 -0.73 -1.28 116.42 117.98 1iyi h ASP 96 Ca 0.04 -0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.50 1iyi h ASP 96 Cb 0.40 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 1iyi h ASP 96 CO 0.01 0.61 0.28 0.44 -2.88 0.00 0.00 179.24 177.70 1iyi h ASP 97 N 1.05 0.47 -0.19 2.28 3.45 -0.61 -0.94 116.42 121.93 1iyi h ASP 97 Ca 0.37 -0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.77 1iyi h ASP 97 Cb 0.11 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 38.78 1iyi h ASP 97 CO -0.12 0.33 -0.09 0.15 -1.57 0.00 0.00 179.24 177.94 1iyi h PHE 98 N 0.57 0.46 -0.66 4.55 3.57 -1.18 -2.99 116.94 121.26 1iyi h PHE 98 Ca 0.18 -0.11 0.07 0.00 3.53 0.00 0.00 57.97 61.63 1iyi h PHE 98 Cb -0.01 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 1iyi h PHE 98 CO -0.06 0.69 0.44 0.52 -2.23 0.00 0.00 178.31 177.67 1iyi h MET 99 N 0.09 0.63 0.00 1.11 2.86 -1.06 -0.42 114.93 118.14 1iyi h MET 99 Ca 0.04 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1iyi h MET 99 Cb 0.57 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1iyi h MET 99 CO 0.03 0.41 0.00 0.43 1.06 0.00 0.00 176.91 178.84 1iyi n SER 100 N -4.48 0.47 0.21 1.22 7.64 -0.38 -2.78 113.62 115.53 1iyi n SER 100 Ca 0.10 0.61 0.09 0.00 1.01 0.00 0.00 58.87 60.68 1iyi n SER 100 Cb 0.25 -0.71 0.41 0.00 -1.01 0.00 0.00 64.21 63.14 1iyi n SER 100 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iyi s PHE 102 N -3.58 3.56 -1.53 0.00 0.40 -1.12 -4.94 117.98 110.77 1iyi s PHE 102 Ca 0.01 1.64 -0.11 0.00 -0.60 0.00 0.00 56.93 57.86 1iyi s PHE 102 Cb 0.10 -3.30 -0.02 0.00 0.51 0.00 0.00 43.02 40.31 1iyi s PHE 102 CO 0.65 -0.65 2.60 -0.35 0.70 0.00 0.00 175.22 178.17 1iyi n PRO 103 N 1.65 3.43 -0.05 0.24 -0.04 -1.26 -4.76 135.00 134.20 1iyi n PRO 103 Ca 0.01 -2.49 0.22 0.00 -0.04 0.00 0.00 63.50 61.19 1iyi n PRO 103 Cb 0.45 -2.98 0.68 0.00 -0.04 0.00 0.00 33.50 31.61 1iyi n PRO 103 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1iyi h TRP 104 N 5.39 0.04 -0.27 0.54 4.06 -1.93 -1.77 115.95 122.01 1iyi h TRP 104 Ca 0.73 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.68 1iyi h TRP 104 Cb 0.44 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.58 1iyi h TRP 104 CO 1.68 0.02 0.00 0.00 -3.56 0.00 0.00 178.44 176.57 1iyi n ALA 105 N -2.65 2.43 -1.67 1.49 0.00 -1.26 -4.97 120.51 113.88 1iyi n ALA 105 Ca 0.12 -0.90 -0.45 0.00 0.00 0.00 0.00 53.44 52.22 1iyi n ALA 105 Cb 0.68 -0.82 -0.04 0.00 0.00 0.00 0.00 19.45 19.27 1iyi n ALA 105 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1iyi n GLU 106 N 1.40 2.54 -0.03 0.00 4.07 -0.67 -4.89 120.64 123.06 1iyi n GLU 106 Ca 0.17 0.93 -0.12 0.00 -0.06 0.00 0.00 57.16 58.08 1iyi n GLU 106 Cb 0.59 -2.86 -0.07 0.00 -0.06 0.00 0.00 31.44 29.03 1iyi n GLU 106 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1iyi h LYS 107 N 10.21 0.15 -6.16 5.31 6.56 -1.93 -3.41 116.57 127.30 1iyi h LYS 107 Ca -0.49 -0.05 -0.54 0.00 -1.06 0.00 0.00 60.65 58.51 1iyi h LYS 107 Cb 1.25 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 32.87 1iyi h LYS 107 CO 0.95 0.42 1.29 0.15 -2.06 0.00 0.00 179.45 180.20 1iyi s LYS 108 N -4.93 3.02 0.33 3.15 1.02 -1.26 -4.87 119.74 116.21 1iyi s LYS 108 Ca -0.14 0.97 0.03 0.00 0.02 0.00 0.00 55.97 56.85 1iyi s LYS 108 Cb 0.05 -4.27 0.64 0.00 -0.52 0.00 0.00 37.83 33.73 1iyi s LYS 108 CO 0.70 -2.24 1.93 1.96 -0.92 0.00 0.00 175.35 176.77 1iyi h GLN 109 N 13.61 0.86 0.41 1.68 1.08 -1.99 -1.73 115.11 129.03 1iyi h GLN 109 Ca -0.29 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 56.84 1iyi h GLN 109 Cb 1.16 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 28.39 1iyi h GLN 109 CO 1.13 0.57 -0.23 0.38 -0.95 0.00 0.00 178.83 179.73 1iyi h ASP 110 N 0.89 -0.55 -0.62 1.46 -0.00 -1.97 0.10 116.42 115.73 1iyi h ASP 110 Ca 0.36 0.03 -0.05 0.00 -0.00 0.00 0.00 57.03 57.37 1iyi h ASP 110 Cb 0.26 0.16 -0.03 0.00 -0.00 0.00 0.00 39.33 39.72 1iyi h ASP 110 CO -0.13 -0.37 0.22 1.62 -0.00 0.00 0.00 179.24 180.58 1iyi h VAL 111 N -0.59 1.24 0.11 4.15 3.04 -1.94 -1.95 116.25 120.31 1iyi h VAL 111 Ca -0.05 -0.79 -0.01 0.00 -1.01 0.00 0.00 66.70 64.85 1iyi h VAL 111 Cb 0.47 0.50 0.00 0.00 -2.01 0.00 0.00 31.29 30.25 1iyi h VAL 111 CO 0.07 0.31 -0.05 0.50 -1.01 0.00 0.00 177.57 177.38 1iyi h LYS 112 N 0.95 -0.14 -0.46 4.17 3.64 -1.10 -1.01 116.57 122.62 1iyi h LYS 112 Ca 0.22 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1iyi h LYS 112 Cb 0.24 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 1iyi h LYS 112 CO -0.01 -0.04 0.24 1.49 -2.27 0.00 0.00 179.45 178.86 1iyi h GLU 113 N -0.21 0.46 -0.04 1.90 4.81 -0.81 -0.70 114.58 119.99 1iyi h GLU 113 Ca -0.01 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1iyi h GLU 113 Cb 0.17 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1iyi h GLU 113 CO 0.02 0.31 -0.06 0.37 -0.73 0.00 0.00 179.01 178.92 1iyi h GLN 114 N 0.48 -0.09 -0.65 1.92 5.75 -1.18 -0.13 115.11 121.21 1iyi h GLN 114 Ca 0.20 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.67 1iyi h GLN 114 Cb 0.09 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.63 1iyi h GLN 114 CO -0.13 -0.06 0.28 1.98 -2.65 0.00 0.00 178.83 178.25 1iyi h MET 115 N -0.09 0.94 -0.06 1.69 4.05 -0.88 -0.54 114.93 120.04 1iyi h MET 115 Ca 0.04 -0.14 -0.00 0.00 -0.28 0.00 0.00 59.70 59.32 1iyi h MET 115 Cb 0.14 -0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 30.77 1iyi h MET 115 CO -0.09 0.75 0.03 0.74 0.23 0.00 0.00 176.91 178.56 1iyi h PHE 116 N 0.93 0.08 -0.77 1.39 -1.00 -0.71 -0.94 116.94 115.91 1iyi h PHE 116 Ca 0.22 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.97 1iyi h PHE 116 Cb 0.15 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 39.64 1iyi h PHE 116 CO 0.01 0.17 0.37 -0.91 -1.61 0.00 0.00 178.31 176.34 1iyi h ASN 117 N -0.03 1.00 -0.38 2.17 2.35 -0.64 -1.29 115.58 118.76 1iyi h ASN 117 Ca 0.02 -0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.59 1iyi h ASN 117 Cb 0.12 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1iyi h ASN 117 CO -0.00 0.85 -0.03 -0.33 -1.65 0.00 0.00 177.43 176.26 1iyi h GLU 118 N 1.10 0.68 -0.54 0.81 5.08 -0.96 -1.77 114.58 118.98 1iyi h GLU 118 Ca 0.27 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1iyi h GLU 118 Cb 0.11 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1iyi h GLU 118 CO -0.03 0.80 0.27 -0.07 -1.00 0.00 0.00 179.01 178.98 1iyi h LEU 119 N 0.50 0.71 -0.93 1.33 3.38 -0.83 0.13 115.31 119.59 1iyi h LEU 119 Ca 0.10 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1iyi h LEU 119 Cb 0.52 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1iyi h LEU 119 CO 0.03 0.63 -0.32 -0.07 0.09 0.00 0.00 178.44 178.80 1iyi h LEU 120 N 0.73 0.00 0.03 1.67 -0.00 -1.20 0.54 115.31 117.08 1iyi h LEU 120 Ca 0.19 0.00 -0.31 0.00 -0.00 0.00 0.00 57.88 57.76 1iyi h LEU 120 Cb 0.11 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.73 1iyi h LEU 120 CO -0.02 0.32 -1.71 0.41 -0.00 0.00 0.00 178.44 177.43 1iyi n THR 121 N -3.45 1.60 0.02 0.22 -1.04 -0.67 -4.17 114.28 106.79 1iyi n THR 121 Ca 0.00 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1iyi n THR 121 Cb 0.49 -1.90 -0.09 0.00 -1.82 0.00 0.00 70.33 67.01 1iyi n THR 121 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1iyi n TYR 122 N -4.09 0.90 -0.06 -1.42 0.53 0.45 -4.56 117.16 108.90 1iyi n TYR 122 Ca -0.36 0.30 -0.11 0.00 -1.02 0.00 0.00 57.90 56.71 1iyi n TYR 122 Cb 0.82 -1.06 -0.05 0.00 -1.03 0.00 0.00 39.34 38.02 1iyi n TYR 122 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 1iyi n ASN 123 N -2.85 2.15 -0.30 7.72 3.02 -0.72 -4.70 115.26 119.57 1iyi n ASN 123 Ca -0.10 0.03 0.10 0.00 -0.03 0.00 0.00 54.58 54.57 1iyi n ASN 123 Cb 0.84 -0.27 0.26 0.00 -0.61 0.00 0.00 39.78 39.99 1iyi n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1iyi h ALA 124 N -0.20 1.37 -0.97 5.41 0.00 -1.09 -1.98 119.26 121.81 1iyi h ALA 124 Ca -0.30 0.11 0.16 0.00 0.00 0.00 0.00 54.91 54.88 1iyi h ALA 124 Cb 1.37 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 19.10 1iyi h ALA 124 CO -0.11 -0.17 0.61 -1.35 0.00 0.00 0.00 179.25 178.23 1iyi h PRO 125 N 0.57 0.77 -0.42 0.00 0.11 -1.80 0.12 132.00 131.34 1iyi h PRO 125 Ca 0.51 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.44 1iyi h PRO 125 Cb 0.81 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 1iyi h PRO 125 CO -0.42 0.51 -0.25 0.45 -0.21 0.00 0.00 178.00 178.08 1iyi h HIS 126 N 0.79 1.01 -0.27 0.65 3.86 -1.65 -1.57 115.15 117.98 1iyi h HIS 126 Ca 0.51 -0.25 -0.17 0.00 -1.16 0.00 0.00 60.37 59.30 1iyi h HIS 126 Cb 0.75 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1iyi h HIS 126 CO -0.00 1.03 -0.49 1.25 0.86 0.00 0.00 177.93 180.58 1iyi h LEU 127 N 0.76 0.89 -0.78 2.43 5.85 -1.22 -1.97 115.31 121.27 1iyi h LEU 127 Ca 0.09 -0.53 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 1iyi h LEU 127 Cb 0.80 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 1iyi h LEU 127 CO 0.07 1.26 0.49 0.24 -0.34 0.00 0.00 178.44 180.15 1iyi h MET 128 N 0.56 1.05 -0.52 1.25 2.86 -0.70 -0.79 114.93 118.65 1iyi h MET 128 Ca 0.01 -0.08 -0.08 0.00 -2.06 0.00 0.00 59.70 57.49 1iyi h MET 128 Cb 1.10 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 1iyi h MET 128 CO 0.11 0.73 0.00 0.37 1.06 0.00 0.00 176.91 179.18 1iyi h GLN 129 N 1.07 0.92 -0.66 1.72 5.75 -1.21 -0.96 115.11 121.74 1iyi h GLN 129 Ca 0.28 -0.29 -0.04 0.00 -0.15 0.00 0.00 58.65 58.45 1iyi h GLN 129 Cb -0.07 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.37 1iyi h GLN 129 CO -0.06 0.94 0.24 -0.44 -2.65 0.00 0.00 178.83 176.86 1iyi h ASP 130 N 0.79 0.91 -0.34 -0.69 3.32 -0.91 0.00 116.42 119.51 1iyi h ASP 130 Ca 0.15 -0.14 -0.15 0.00 0.02 0.00 0.00 57.03 56.91 1iyi h ASP 130 Cb 0.52 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 1iyi h ASP 130 CO 0.03 0.83 -0.37 -0.07 -1.72 0.00 0.00 179.24 177.94 1iyi h LEU 131 N 0.96 0.90 -0.29 1.55 3.38 -0.97 -0.72 115.31 120.13 1iyi h LEU 131 Ca 0.22 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1iyi h LEU 131 Cb 0.22 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1iyi h LEU 131 CO -0.02 1.20 0.10 -0.78 0.09 0.00 0.00 178.44 179.04 1iyi h ASP 132 N 0.63 0.42 -0.69 -0.43 -0.00 -0.91 0.27 116.42 115.71 1iyi h ASP 132 Ca 0.05 -0.19 -0.02 0.00 -0.00 0.00 0.00 57.03 56.87 1iyi h ASP 132 Cb 0.96 -0.11 -0.03 0.00 -0.00 0.00 0.00 39.33 40.14 1iyi h ASP 132 CO 0.09 0.49 0.36 0.74 -0.00 0.00 0.00 179.24 180.92 1iyi h THR 133 N 0.32 1.22 -0.56 2.25 2.02 -0.96 0.44 112.91 117.64 1iyi h THR 133 Ca 0.10 -0.59 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 1iyi h THR 133 Cb 0.22 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 1iyi h THR 133 CO -0.01 0.25 0.29 0.22 0.37 0.00 0.00 175.52 176.64 1iyi h TYR 134 N 0.95 0.80 -0.35 3.16 3.20 -0.85 -2.84 116.97 121.04 1iyi h TYR 134 Ca 0.24 -0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.95 1iyi h TYR 134 Cb 0.08 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 1iyi h TYR 134 CO 0.00 0.60 -0.31 1.25 -1.64 0.00 0.00 178.16 178.06 1iyi h LEU 135 N 0.76 0.80 0.00 2.82 5.85 -0.56 -3.48 115.31 121.50 1iyi h LEU 135 Ca 0.20 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1iyi h LEU 135 Cb 0.09 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.89 1iyi h LEU 135 CO -0.03 1.05 0.00 0.61 -0.34 0.00 0.00 178.44 179.74 1iyi n GLY 136 N -0.08 2.56 1.03 3.75 0.00 0.11 -1.69 105.19 110.88 1iyi n GLY 136 Ca -0.01 -0.36 0.08 0.00 0.00 0.00 0.00 46.02 45.73 1iyi n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iyi n GLY 137 N 0.00 1.59 3.78 -0.02 0.00 -1.26 -4.96 105.19 104.32 1iyi n GLY 137 Ca 0.00 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 1iyi n GLY 137 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iyi s ARG 138 N -1.43 2.58 0.07 1.61 0.52 -0.68 -4.98 118.95 116.63 1iyi s ARG 138 Ca 0.35 1.22 -0.15 0.00 -0.52 0.00 0.00 55.73 56.63 1iyi s ARG 138 Cb 0.20 -1.93 -0.17 0.00 0.52 0.00 0.00 34.95 33.56 1iyi s ARG 138 CO 0.22 -1.40 1.26 1.49 0.02 0.00 0.00 175.30 176.89 1iyi h GLU 139 N -0.60 0.65 -5.44 3.54 4.81 -1.89 -3.47 114.58 112.19 1iyi h GLU 139 Ca -0.45 -0.54 -0.48 0.00 -0.13 0.00 0.00 59.36 57.76 1iyi h GLU 139 Cb 1.23 0.11 -0.14 0.00 0.63 0.00 0.00 28.75 30.59 1iyi h GLU 139 CO 0.53 1.16 -0.67 -1.58 -0.73 0.00 0.00 179.01 177.72 1iyi s TRP 140 N -3.70 1.92 0.19 0.92 0.52 -1.26 -4.88 118.94 112.66 1iyi s TRP 140 Ca -0.12 -0.74 -0.10 0.00 0.02 0.00 0.00 56.10 55.16 1iyi s TRP 140 Cb 0.07 -1.12 0.12 0.00 -1.15 0.00 0.00 33.47 31.39 1iyi s TRP 140 CO 0.87 0.23 1.77 -0.07 0.02 0.00 0.00 176.95 179.76 1iyi h LEU 141 N 2.27 0.93 -7.89 2.99 3.38 -1.90 -3.43 115.31 111.67 1iyi h LEU 141 Ca -0.40 -0.15 -0.46 0.00 0.09 0.00 0.00 57.88 56.96 1iyi h LEU 141 Cb 1.23 -0.24 -0.33 0.00 0.09 0.00 0.00 40.66 41.41 1iyi h LEU 141 CO 0.67 0.82 -0.79 -0.63 0.09 0.00 0.00 178.44 178.60 1iyi s ILE 142 N -5.64 0.84 0.00 1.22 1.09 -1.26 -4.88 121.20 112.57 1iyi s ILE 142 Ca -0.13 -0.32 0.00 0.00 -1.10 0.00 0.00 60.65 59.10 1iyi s ILE 142 Cb 0.14 -0.80 0.00 0.00 -1.06 0.00 0.00 42.46 40.75 1iyi s ILE 142 CO 0.81 0.29 0.00 0.61 -0.10 0.00 0.00 174.94 176.54 1iyi n GLY 143 N 3.81 -0.69 0.87 6.18 0.00 -1.26 -4.28 105.19 109.82 1iyi n GLY 143 Ca -0.23 -1.14 0.09 0.00 0.00 0.00 0.00 46.02 44.74 1iyi n GLY 143 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1iyi n MET 144 N -0.13 2.24 -4.13 1.61 0.00 -1.26 -4.56 117.12 110.90 1iyi n MET 144 Ca 0.00 -2.02 -0.09 0.00 0.00 0.00 0.00 57.70 55.59 1iyi n MET 144 Cb 0.00 -1.38 -0.10 0.00 0.00 0.00 0.00 33.22 31.74 1iyi n MET 144 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1iyi s SER 145 N -1.18 0.33 0.47 3.17 1.04 -1.26 -4.93 113.70 111.35 1iyi s SER 145 Ca 0.30 -1.15 -0.24 0.00 0.48 0.00 0.00 55.95 55.34 1iyi s SER 145 Cb 0.17 0.28 -0.07 0.00 0.10 0.00 0.00 66.02 66.50 1iyi s SER 145 CO 0.23 -0.71 1.36 0.54 0.98 0.00 0.00 173.24 175.64 1iyi s VAL 146 N -4.02 2.28 0.33 5.02 0.11 -1.26 -4.77 120.40 118.09 1iyi s VAL 146 Ca 0.20 0.23 0.03 0.00 -2.93 0.00 0.00 61.98 59.52 1iyi s VAL 146 Cb 0.07 -3.13 -0.04 0.00 -1.53 0.00 0.00 36.38 31.75 1iyi s VAL 146 CO -0.01 0.02 0.11 0.42 -3.33 0.00 0.00 175.10 172.31 1iyi s THR 147 N -1.27 0.70 -1.02 5.04 -4.23 -1.26 -4.49 115.64 109.10 1iyi s THR 147 Ca 0.63 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.29 1iyi s THR 147 Cb -0.40 -2.58 0.13 0.00 1.34 0.00 0.00 72.50 70.99 1iyi s THR 147 CO 0.50 0.00 1.47 -2.67 -0.54 0.00 0.00 174.62 173.39 1iyi n TRP 148 N -0.67 0.00 -0.03 3.99 4.27 -0.85 -1.67 117.44 122.49 1iyi n TRP 148 Ca -0.02 0.00 -0.08 0.00 -3.89 0.00 0.00 57.50 53.51 1iyi n TRP 148 Cb 0.66 -0.49 0.09 0.00 -1.36 0.00 0.00 31.31 30.21 1iyi n TRP 148 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1iyi h ALA 149 N 2.53 0.83 -0.45 -1.67 0.00 -1.86 0.41 119.26 119.03 1iyi h ALA 149 Ca 0.00 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 1iyi h ALA 149 Cb 0.25 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1iyi h ALA 149 CO 0.00 0.64 0.00 -0.44 0.00 0.00 0.00 179.25 179.46 1iyi h ASP 150 N 0.52 0.77 -0.42 0.00 5.19 -1.72 -1.04 116.42 119.73 1iyi h ASP 150 Ca 0.05 -0.31 0.03 0.00 -0.62 0.00 0.00 57.03 56.18 1iyi h ASP 150 Cb 0.89 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 40.16 1iyi h ASP 150 CO 0.08 0.89 0.22 -0.26 -3.12 0.00 0.00 179.24 177.04 1iyi h PHE 151 N 0.64 0.40 -0.44 4.55 -1.00 -1.40 -1.74 116.94 117.94 1iyi h PHE 151 Ca 0.13 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.89 1iyi h PHE 151 Cb 0.49 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 39.91 1iyi h PHE 151 CO 0.04 0.21 0.12 -0.92 -1.61 0.00 0.00 178.31 176.15 1iyi h TYR 152 N 0.44 0.66 0.05 -0.55 3.20 -0.61 -0.49 116.97 119.68 1iyi h TYR 152 Ca 0.17 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 1iyi h TYR 152 Cb 0.07 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.14 1iyi h TYR 152 CO -0.09 0.56 -0.03 2.35 -1.64 0.00 0.00 178.16 179.31 1iyi h TRP 153 N 0.64 -0.07 -0.97 -3.82 -0.00 -0.57 0.16 115.95 111.33 1iyi h TRP 153 Ca 0.15 -0.00 0.03 0.00 -0.00 0.00 0.00 58.89 59.06 1iyi h TRP 153 Cb 0.23 0.02 -0.05 0.00 -0.00 0.00 0.00 29.16 29.36 1iyi h TRP 153 CO 0.01 0.09 0.64 1.49 -0.00 0.00 0.00 178.44 180.66 1iyi h GLU 154 N -0.21 1.22 -0.00 2.65 4.22 -0.99 0.16 114.58 121.63 1iyi h GLU 154 Ca -0.01 -0.07 -0.00 0.00 0.08 0.00 0.00 59.36 59.36 1iyi h GLU 154 Cb 0.19 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 1iyi h GLU 154 CO 0.01 0.81 -0.00 0.82 -2.18 0.00 0.00 179.01 178.47 1iyi h ILE 155 N 1.25 1.27 -0.41 2.32 2.04 -0.89 -1.53 117.51 121.56 1iyi h ILE 155 Ca 0.37 -0.81 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 1iyi h ILE 155 Cb -0.05 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1iyi h ILE 155 CO -0.11 0.21 0.08 0.00 0.00 0.00 0.00 178.15 178.33 1iyi h SER 157 N 0.53 0.22 -0.60 0.00 4.64 -1.01 -1.19 113.55 116.14 1iyi h SER 157 Ca 0.13 -0.06 0.02 0.00 -0.47 0.00 0.00 61.79 61.41 1iyi h SER 157 Cb 0.35 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 62.34 1iyi h SER 157 CO 0.01 0.44 0.37 0.74 -0.87 0.00 0.00 176.83 177.52 1iyi h THR 158 N 0.21 1.08 -0.26 2.95 2.02 -1.07 0.94 112.91 118.79 1iyi h THR 158 Ca 0.04 -0.25 -0.19 0.00 0.77 0.00 0.00 66.41 66.78 1iyi h THR 158 Cb 0.48 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1iyi h THR 158 CO 0.03 0.14 -0.57 0.74 0.37 0.00 0.00 175.52 176.22 1iyi h THR 159 N 0.74 1.28 -0.73 3.16 2.02 -1.32 -3.12 112.91 114.94 1iyi h THR 159 Ca 0.24 -1.76 -0.04 0.00 0.77 0.00 0.00 66.41 65.62 1iyi h THR 159 Cb 0.00 1.71 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 1iyi h THR 159 CO -0.09 0.57 0.31 -0.07 0.37 0.00 0.00 175.52 176.61 1iyi h LEU 160 N 0.62 0.98 -2.57 2.58 3.38 -0.94 -2.19 115.31 117.16 1iyi h LEU 160 Ca 0.00 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1iyi h LEU 160 Cb 1.19 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 1iyi h LEU 160 CO 0.13 0.87 -0.00 -0.07 0.09 0.00 0.00 178.44 179.45 1iyi h LEU 161 N 1.03 0.00 -0.88 1.67 3.38 -0.78 0.59 115.31 120.32 1iyi h LEU 161 Ca 0.24 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 1iyi h LEU 161 Cb 0.18 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1iyi h LEU 161 CO -0.02 0.00 0.13 0.58 0.09 0.00 0.00 178.44 179.22 1iyi h VAL 162 N 0.00 1.25 0.00 1.22 2.07 -1.33 -2.67 116.25 116.78 1iyi h VAL 162 Ca -0.00 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1iyi h VAL 162 Cb 0.01 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1iyi h VAL 162 CO 0.00 0.34 -1.28 0.49 0.02 0.00 0.00 177.57 177.14 1iyi n PHE 163 N -4.24 0.16 -3.22 1.57 3.01 -0.38 -4.66 117.46 109.70 1iyi n PHE 163 Ca 0.04 0.05 -0.22 0.00 1.01 0.00 0.00 57.45 58.33 1iyi n PHE 163 Cb 0.25 -0.37 -0.07 0.00 -0.01 0.00 0.00 39.48 39.28 1iyi n PHE 163 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1iyi n LYS 164 N -1.96 0.38 -0.33 -1.08 3.00 0.06 -5.01 118.16 113.22 1iyi n LYS 164 Ca 0.01 -2.94 0.22 0.00 -0.00 0.00 0.00 58.31 55.59 1iyi n LYS 164 Cb 0.45 -1.53 0.48 0.00 0.00 0.00 0.00 35.03 34.43 1iyi n LYS 164 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1iyi h PRO 165 N 5.08 0.42 -0.38 1.64 0.11 -1.73 -0.02 132.00 137.12 1iyi h PRO 165 Ca 0.17 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1iyi h PRO 165 Cb 0.94 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1iyi h PRO 165 CO 0.34 0.28 0.00 -0.40 -0.21 0.00 0.00 178.00 178.01 1iyi n ASP 166 N -4.70 1.92 -0.31 -2.05 5.75 -1.26 -4.49 116.55 111.40 1iyi n ASP 166 Ca 0.26 -2.05 0.16 0.00 -0.01 0.00 0.00 54.79 53.16 1iyi n ASP 166 Cb 0.86 -0.26 0.34 0.00 -1.03 0.00 0.00 41.12 41.02 1iyi n ASP 166 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1iyi h LEU 167 N 1.91 -0.05 -2.97 -2.12 5.85 -1.37 -1.78 115.31 114.78 1iyi h LEU 167 Ca 0.00 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1iyi h LEU 167 Cb 0.52 0.32 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1iyi h LEU 167 CO 0.02 -0.24 0.00 0.18 -0.34 0.00 0.00 178.44 178.06 1iyi n LEU 168 N -5.29 3.87 0.18 2.25 4.32 -1.26 -4.61 117.00 116.46 1iyi n LEU 168 Ca 0.24 -2.24 0.14 0.00 -0.02 0.00 0.00 56.01 54.13 1iyi n LEU 168 Cb 0.79 -0.44 0.70 0.00 -1.62 0.00 0.00 43.42 42.85 1iyi n LEU 168 CO 0.02 0.82 1.12 0.44 -1.22 0.00 0.00 177.39 178.58 1iyi h ASP 169 N 3.25 0.00 -0.01 -1.43 5.19 -1.63 0.91 116.42 122.70 1iyi h ASP 169 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1iyi h ASP 169 Cb 1.10 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.61 1iyi h ASP 169 CO 0.09 0.00 -0.03 0.59 -3.12 0.00 0.00 179.24 176.78 1iyi n ASN 170 N -4.34 1.92 -3.33 6.45 5.03 -1.26 -4.60 115.26 115.14 1iyi n ASN 170 Ca 0.02 -1.61 -0.25 0.00 0.87 0.00 0.00 54.58 53.60 1iyi n ASN 170 Cb 0.28 0.02 -0.08 0.00 -1.02 0.00 0.00 39.78 38.98 1iyi n ASN 170 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1iyi n HIS 171 N 0.47 0.89 -0.00 3.10 8.25 0.31 -4.94 115.22 123.29 1iyi n HIS 171 Ca 0.17 -3.74 0.13 0.00 -0.26 0.00 0.00 57.72 54.02 1iyi n HIS 171 Cb 0.43 -0.34 0.57 0.00 1.12 0.00 0.00 29.99 31.77 1iyi n HIS 171 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1iyi h PRO 172 N 4.35 0.23 -0.04 -0.41 0.13 -1.81 -1.39 132.00 133.05 1iyi h PRO 172 Ca 0.14 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.19 1iyi h PRO 172 Cb 0.82 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 1iyi h PRO 172 CO 0.57 0.15 -0.26 0.00 -0.23 0.00 0.00 178.00 178.22 1iyi h ARG 173 N 0.23 0.07 0.00 0.86 3.08 -1.92 0.21 114.38 116.90 1iyi h ARG 173 Ca 0.22 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 60.13 1iyi h ARG 173 Cb 0.56 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 1iyi h ARG 173 CO -0.04 0.33 -0.55 -0.07 -1.07 0.00 0.00 179.97 178.56 1iyi h LEU 174 N 0.06 0.00 -0.17 3.04 3.38 -1.63 -2.42 115.31 117.57 1iyi h LEU 174 Ca 0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 1iyi h LEU 174 Cb 0.50 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.26 1iyi h LEU 174 CO 0.04 0.55 -0.59 0.58 0.09 0.00 0.00 178.44 179.11 1iyi h VAL 175 N 0.00 1.31 -0.92 1.22 2.07 -1.10 -2.60 116.25 116.23 1iyi h VAL 175 Ca -0.01 -1.83 -0.01 0.00 0.82 0.00 0.00 66.70 65.68 1iyi h VAL 175 Cb 1.29 1.97 -0.04 0.00 -1.52 0.00 0.00 31.29 32.98 1iyi h VAL 175 CO 0.07 0.57 0.55 0.74 0.02 0.00 0.00 177.57 179.53 1iyi h THR 176 N 0.39 1.25 -0.55 2.57 2.02 -0.91 -1.47 112.91 116.22 1iyi h THR 176 Ca -0.03 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.60 1iyi h THR 176 Cb 1.22 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 1iyi h THR 176 CO 0.13 0.27 0.36 0.25 0.37 0.00 0.00 175.52 176.90 1iyi h LEU 177 N 1.28 0.64 -0.35 2.58 5.85 -1.36 -0.87 115.31 123.08 1iyi h LEU 177 Ca 0.33 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 59.07 1iyi h LEU 177 Cb -0.05 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 1iyi h LEU 177 CO -0.06 0.47 0.11 0.03 -0.34 0.00 0.00 178.44 178.65 1iyi h ARG 178 N 0.75 0.25 -0.98 1.25 3.08 -0.98 -2.17 114.38 115.58 1iyi h ARG 178 Ca 0.20 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.24 1iyi h ARG 178 Cb -0.08 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 29.87 1iyi h ARG 178 CO -0.04 0.17 0.65 0.87 -1.07 0.00 0.00 179.97 180.54 1iyi h LYS 179 N 0.26 1.29 -0.76 0.04 1.57 -0.78 -0.45 116.57 117.74 1iyi h LYS 179 Ca 0.16 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1iyi h LYS 179 Cb 0.14 -0.29 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1iyi h LYS 179 CO -0.17 0.86 0.27 0.87 -0.57 0.00 0.00 179.45 180.72 1iyi h LYS 180 N 1.33 1.16 -0.33 3.15 1.57 -0.71 0.90 116.57 123.65 1iyi h LYS 180 Ca 0.36 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 1iyi h LYS 180 Cb -0.15 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 31.97 1iyi h LYS 180 CO -0.08 0.96 -0.03 0.28 -0.57 0.00 0.00 179.45 180.02 1iyi h VAL 181 N 1.12 1.27 0.00 0.50 2.07 -0.99 -2.60 116.25 117.62 1iyi h VAL 181 Ca 0.25 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1iyi h VAL 181 Cb 0.26 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1iyi h VAL 181 CO -0.01 0.33 0.00 1.56 0.02 0.00 0.00 177.57 179.47 1iyi h GLN 182 N 0.39 0.00 0.00 1.57 4.20 -0.73 -2.60 115.11 117.93 1iyi h GLN 182 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1iyi h GLN 182 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1iyi h GLN 182 CO 0.02 0.00 -0.42 0.00 -0.67 0.00 0.00 178.83 177.76 1iyi h ALA 183 N 2.02 0.75 -2.30 3.87 0.00 -0.44 -3.31 119.26 119.84 1iyi h ALA 183 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 1iyi h ALA 183 Cb 0.34 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1iyi h ALA 183 CO 0.00 0.00 1.23 0.42 0.00 0.00 0.00 179.25 180.90 1iyi s ILE 184 N -3.19 3.14 0.15 0.00 1.01 -0.98 -4.80 121.20 116.53 1iyi s ILE 184 Ca 0.06 0.17 -0.25 0.00 0.00 0.00 0.00 60.65 60.63 1iyi s ILE 184 Cb 0.11 -3.11 -0.02 0.00 0.01 0.00 0.00 42.46 39.45 1iyi s ILE 184 CO 0.69 -0.02 1.34 -2.65 0.00 0.00 0.00 174.94 174.30 1iyi n PRO 185 N 7.57 -0.35 -0.29 2.79 -0.02 -1.26 0.05 135.00 143.49 1iyi n PRO 185 Ca 0.20 1.31 -0.00 0.00 -2.02 0.00 0.00 63.50 62.99 1iyi n PRO 185 Cb 0.42 -1.93 0.19 0.00 -0.02 0.00 0.00 33.50 32.16 1iyi n PRO 185 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iyi h ALA 186 N 0.56 1.39 -0.16 3.55 0.00 -1.90 -0.80 119.26 121.91 1iyi h ALA 186 Ca 0.17 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1iyi h ALA 186 Cb 0.38 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1iyi h ALA 186 CO -0.82 0.56 -0.50 0.28 0.00 0.00 0.00 179.25 178.77 1iyi h VAL 187 N 1.16 1.33 -0.77 0.00 2.07 -1.34 -2.61 116.25 116.09 1iyi h VAL 187 Ca 0.32 -1.76 0.05 0.00 0.82 0.00 0.00 66.70 66.13 1iyi h VAL 187 Cb -0.12 2.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 1iyi h VAL 187 CO -0.07 0.54 0.47 0.00 0.02 0.00 0.00 177.57 178.53 1iyi h ALA 188 N 0.55 1.04 -0.57 1.67 0.00 0.02 0.67 119.26 122.64 1iyi h ALA 188 Ca -0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1iyi h ALA 188 Cb 1.12 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1iyi h ALA 188 CO 0.11 0.22 0.19 -0.97 0.00 0.00 0.00 179.25 178.80 1iyi h ASN 189 N 0.89 0.82 -0.30 0.00 -1.24 -1.14 -1.29 115.58 113.30 1iyi h ASN 189 Ca 0.33 -0.20 -0.04 0.00 0.71 0.00 0.00 56.30 57.10 1iyi h ASN 189 Cb 0.12 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 38.94 1iyi h ASN 189 CO -0.15 0.80 0.03 -0.25 -1.29 0.00 0.00 177.43 176.57 1iyi h TRP 190 N 0.79 0.55 -0.80 0.67 2.91 -0.98 -1.90 115.95 117.19 1iyi h TRP 190 Ca 0.18 -0.08 0.04 0.00 1.13 0.00 0.00 58.89 60.17 1iyi h TRP 190 Cb 0.26 -0.15 -0.05 0.00 -0.51 0.00 0.00 29.16 28.72 1iyi h TRP 190 CO 0.02 0.62 0.53 0.82 -1.03 0.00 0.00 178.44 179.39 1iyi h ILE 191 N 0.32 1.10 -0.06 2.65 2.04 -0.71 0.10 117.51 122.96 1iyi h ILE 191 Ca 0.09 -0.32 -0.18 0.00 1.00 0.00 0.00 64.86 65.45 1iyi h ILE 191 Cb 0.38 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1iyi h ILE 191 CO 0.01 0.17 -0.73 0.50 0.00 0.00 0.00 178.15 178.10 1iyi h LYS 192 N 0.95 0.32 0.00 2.37 3.64 -1.02 -3.34 116.57 119.47 1iyi h LYS 192 Ca 0.33 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1iyi h LYS 192 Cb 0.11 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1iyi h LYS 192 CO -0.10 0.91 -1.55 0.54 -2.27 0.00 0.00 179.45 176.98 1iyi n ARG 193 N -3.81 0.56 -1.46 1.90 1.74 -0.73 -4.99 116.66 109.87 1iyi n ARG 193 Ca -0.04 -0.08 -0.35 0.00 -0.77 0.00 0.00 57.85 56.62 1iyi n ARG 193 Cb 0.70 -1.61 0.09 0.00 -1.02 0.00 0.00 32.46 30.63 1iyi n ARG 193 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1iyi s ARG 194 N -3.41 2.14 0.35 5.56 1.70 0.31 -4.91 118.95 120.70 1iyi s ARG 194 Ca -0.04 1.89 -0.29 0.00 -0.47 0.00 0.00 55.73 56.83 1iyi s ARG 194 Cb 0.13 -1.82 -0.11 0.00 -0.57 0.00 0.00 34.95 32.58 1iyi s ARG 194 CO 0.86 -1.87 1.54 -2.30 -1.08 0.00 0.00 175.30 172.45 1iyi n PRO 195 N -2.56 2.70 -2.86 3.89 -0.02 -1.26 -4.92 135.00 129.97 1iyi n PRO 195 Ca 0.14 0.95 -0.42 0.00 -2.02 0.00 0.00 63.50 62.15 1iyi n PRO 195 Cb 0.49 -2.71 -0.04 0.00 -0.02 0.00 0.00 33.50 31.22 1iyi n PRO 195 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1iyi s GLN 196 N -1.49 3.85 0.15 -0.52 -0.21 -1.26 -4.93 119.66 115.24 1iyi s GLN 196 Ca 0.57 0.53 0.04 0.00 0.02 0.00 0.00 55.36 56.53 1iyi s GLN 196 Cb -0.48 -3.79 -0.04 0.00 1.00 0.00 0.00 33.01 29.70 1iyi s GLN 196 CO 0.58 -0.87 -0.10 0.95 -2.12 0.00 0.00 175.29 173.73 1iyi s THR 197 N 3.29 1.16 0.03 -0.19 -4.23 -1.26 -5.06 115.64 109.37 1iyi s THR 197 Ca 0.36 -2.06 -0.24 0.00 -1.18 0.00 0.00 61.69 58.56 1iyi s THR 197 Cb -0.13 -1.87 -0.17 0.00 1.34 0.00 0.00 72.50 71.67 1iyi s THR 197 CO 0.17 -0.73 1.48 0.50 -0.54 0.00 0.00 174.62 175.50 1iyi h LYS 198 N 2.77 0.03 -0.01 3.99 3.64 -1.95 -3.47 116.57 121.56 1iyi h LYS 198 Ca -0.37 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1iyi h LYS 198 Cb 1.19 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1iyi h LYS 198 CO 0.64 0.29 0.00 1.28 -2.27 0.00 0.00 179.45 179.38