#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m9a s TYR 7 N 0.00 0.15 0.22 1.38 5.04 -1.26 -5.14 117.35 117.74 3m9a s TYR 7 Ca 0.00 0.08 -0.15 0.00 -2.44 0.00 0.00 57.07 54.55 3m9a s TYR 7 Cb 0.00 -0.32 -0.08 0.00 0.35 0.00 0.00 41.96 41.91 3m9a s TYR 7 CO 0.00 -0.11 0.64 0.99 -1.34 0.00 0.00 175.55 175.73 3m9a s THR 8 N 1.08 4.75 -0.05 4.34 2.01 -1.26 -5.07 115.64 121.44 3m9a s THR 8 Ca -0.09 0.91 0.02 0.00 0.31 0.00 0.00 61.69 62.84 3m9a s THR 8 Cb -0.13 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.67 3m9a s THR 8 CO -0.02 0.08 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.66 3m9a s LEU 9 N -2.35 1.62 -0.36 4.42 2.96 -1.26 -5.11 118.68 118.60 3m9a s LEU 9 Ca 0.45 -0.24 -0.19 0.00 -0.22 0.00 0.00 54.13 53.93 3m9a s LEU 9 Cb -0.14 -0.69 0.00 0.00 0.50 0.00 0.00 46.19 45.87 3m9a s LEU 9 CO 0.20 0.03 0.55 0.21 -1.32 0.00 0.00 176.35 176.01 3m9a s ASN 10 N 0.58 6.33 0.44 3.68 2.47 -1.26 -4.95 114.94 122.23 3m9a s ASN 10 Ca -0.11 -0.05 0.24 0.00 0.42 0.00 0.00 52.86 53.36 3m9a s ASN 10 Cb -0.14 -2.28 0.96 0.00 -1.45 0.00 0.00 41.25 38.34 3m9a s ASN 10 CO 0.02 -0.54 1.85 0.40 -3.72 0.00 0.00 177.10 175.12 3m9a h ILE 11 N 5.65 0.60 -0.26 -5.21 2.04 -2.00 -3.08 117.51 115.25 3m9a h ILE 11 Ca -0.27 -1.09 -0.08 0.00 1.00 0.00 0.00 64.86 64.42 3m9a h ILE 11 Cb 1.12 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.92 3m9a h ILE 11 CO 0.80 0.23 -0.14 0.00 0.00 0.00 0.00 178.15 179.04 3m9a h ALA 12 N 1.77 0.37 -0.34 1.87 0.00 -1.98 -2.31 119.26 118.63 3m9a h ALA 12 Ca -0.00 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.60 3m9a h ALA 12 Cb 0.71 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3m9a h ALA 12 CO 0.03 0.25 0.20 0.93 0.00 0.00 0.00 179.25 180.66 3m9a h GLU 13 N 0.28 0.40 0.42 0.00 5.08 -1.97 0.28 114.58 119.07 3m9a h GLU 13 Ca 0.06 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3m9a h GLU 13 Cb 0.65 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 3m9a h GLU 13 CO 0.04 0.26 -0.44 0.82 -1.00 0.00 0.00 179.01 178.69 3m9a h ILE 14 N 0.41 0.12 -0.71 3.13 2.04 -1.54 0.11 117.51 121.07 3m9a h ILE 14 Ca 0.14 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.13 3m9a h ILE 14 Cb 0.00 0.12 -0.09 0.00 -0.74 0.00 0.00 36.82 36.11 3m9a h ILE 14 CO -0.06 0.00 0.24 0.00 0.00 0.00 0.00 178.15 178.33 3m9a h ALA 15 N -0.58 0.96 -0.62 1.87 0.00 -1.34 0.51 119.26 120.05 3m9a h ALA 15 Ca -0.04 0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.10 3m9a h ALA 15 Cb 0.78 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.62 3m9a h ALA 15 CO -0.07 -0.25 0.21 1.49 0.00 0.00 0.00 179.25 180.62 3m9a h GLU 16 N 0.37 0.36 -0.11 0.00 4.57 -0.43 -0.54 114.58 118.80 3m9a h GLU 16 Ca 0.39 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.54 3m9a h GLU 16 Cb 0.60 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.10 3m9a h GLU 16 CO -0.42 0.24 0.02 0.00 -1.18 0.00 0.00 179.01 177.67 3m9a h ARG 17 N 0.37 0.18 -0.75 1.92 3.08 0.11 -3.09 114.38 116.20 3m9a h ARG 17 Ca 0.32 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.34 3m9a h ARG 17 Cb 0.43 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 3m9a h ARG 17 CO -0.34 0.39 0.49 0.82 -1.07 0.00 0.00 179.97 180.25 3m9a h ILE 18 N -0.05 1.16 0.00 2.04 2.04 -0.81 -1.51 117.51 120.37 3m9a h ILE 18 Ca 0.03 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3m9a h ILE 18 Cb 0.29 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 3m9a h ILE 18 CO 0.00 0.18 0.01 1.23 0.00 0.00 0.00 178.15 179.57 3m9a h GLY 19 N 0.99 0.00 -3.57 5.37 0.00 -1.06 -1.52 103.07 103.27 3m9a h GLY 19 Ca 0.29 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.56 3m9a h GLY 19 CO -0.08 0.00 0.08 0.70 0.00 0.00 0.00 176.54 177.24 3m9a n ASN 20 N -2.87 5.44 -3.31 0.19 3.02 -0.57 -4.81 115.26 112.35 3m9a n ASN 20 Ca -0.03 -2.99 -0.09 0.00 -0.03 0.00 0.00 54.58 51.44 3m9a n ASN 20 Cb 0.07 -0.70 -0.06 0.00 -0.61 0.00 0.00 39.78 38.48 3m9a n ASN 20 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3m9a s ASP 21 N -0.82 0.40 0.25 6.41 2.15 -0.57 -5.06 116.67 119.43 3m9a s ASP 21 Ca 0.54 -0.27 -0.03 0.00 0.43 0.00 0.00 52.55 53.22 3m9a s ASP 21 Cb 0.42 1.09 0.49 0.00 -0.30 0.00 0.00 42.92 44.62 3m9a s ASP 21 CO 0.15 -0.34 1.75 0.44 -0.17 0.00 0.00 175.17 176.99 3m9a h ASP 22 N 8.17 0.40 0.19 -0.34 5.19 -1.87 -1.77 116.42 126.39 3m9a h ASP 22 Ca -0.11 0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 56.39 3m9a h ASP 22 Cb 1.12 0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.68 3m9a h ASP 22 CO 0.27 0.16 -0.09 0.00 -3.12 0.00 0.00 179.24 176.46 3m9a h ALA 24 N -0.09 0.42 0.09 0.00 0.00 -1.80 -0.00 119.26 117.88 3m9a h ALA 24 Ca -0.03 0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3m9a h ALA 24 Cb 0.50 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3m9a h ALA 24 CO 0.04 -0.42 -0.11 -0.92 0.00 0.00 0.00 179.25 177.84 3m9a h TYR 25 N 0.04 -0.29 -0.22 0.00 3.20 -1.27 -1.40 116.97 117.03 3m9a h TYR 25 Ca 0.27 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.04 3m9a h TYR 25 Cb 0.41 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 3m9a h TYR 25 CO -0.40 -0.18 -0.31 1.96 -1.64 0.00 0.00 178.16 177.59 3m9a h GLN 26 N -0.24 0.44 -0.91 1.82 4.20 -1.04 -1.85 115.11 117.53 3m9a h GLN 26 Ca 0.01 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 3m9a h GLN 26 Cb 0.24 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.96 3m9a h GLN 26 CO -0.05 0.70 0.52 0.28 -0.67 0.00 0.00 178.83 179.61 3m9a h VAL 27 N 0.38 1.26 -0.24 -0.54 2.07 -0.74 -0.86 116.25 117.58 3m9a h VAL 27 Ca 0.05 -0.61 -0.08 0.00 0.82 0.00 0.00 66.70 66.88 3m9a h VAL 27 Cb 0.73 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3m9a h VAL 27 CO 0.06 0.28 -0.15 0.25 0.02 0.00 0.00 177.57 178.03 3m9a h LEU 28 N 1.27 0.55 -0.32 2.57 5.85 -0.97 -3.25 115.31 121.01 3m9a h LEU 28 Ca 0.32 -0.43 -0.08 0.00 0.84 0.00 0.00 57.88 58.53 3m9a h LEU 28 Cb -0.00 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3m9a h LEU 28 CO -0.06 0.86 -0.38 0.24 -0.34 0.00 0.00 178.44 178.76 3m9a h MET 29 N 0.24 0.00 -0.96 1.25 2.86 -1.22 -3.06 114.93 114.04 3m9a h MET 29 Ca 0.05 0.00 0.20 0.00 -2.06 0.00 0.00 59.70 57.89 3m9a h MET 29 Cb 0.67 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.25 3m9a h MET 29 CO 0.04 0.38 0.61 0.00 1.06 0.00 0.00 176.91 179.01 3m9a h ALA 30 N 1.62 2.00 0.00 6.32 0.00 -1.18 0.75 119.26 128.76 3m9a h ALA 30 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3m9a h ALA 30 Cb 1.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3m9a h ALA 30 CO 0.05 -0.33 0.00 1.19 0.00 0.00 0.00 179.25 180.16 3m9a n PHE 31 N -4.61 0.73 -3.31 0.00 3.72 -1.16 -4.58 117.46 108.26 3m9a n PHE 31 Ca 0.21 0.29 -0.39 0.00 -0.05 0.00 0.00 57.45 57.51 3m9a n PHE 31 Cb 0.66 -0.96 -0.07 0.00 -0.94 0.00 0.00 39.48 38.17 3m9a n PHE 31 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3m9a s ILE 32 N -3.28 5.14 0.52 4.37 -1.09 0.25 0.01 121.20 127.13 3m9a s ILE 32 Ca 0.05 0.83 -0.03 0.00 -2.23 0.00 0.00 60.65 59.26 3m9a s ILE 32 Cb 0.09 -3.79 0.11 0.00 -1.58 0.00 0.00 42.46 37.29 3m9a s ILE 32 CO 0.38 0.19 0.72 -0.46 -1.23 0.00 0.00 174.94 174.54 3m9a n ASN 33 N 4.82 0.62 -0.22 3.58 0.23 0.34 -4.90 115.26 119.73 3m9a n ASN 33 Ca -0.06 -1.61 0.13 0.00 -0.53 0.00 0.00 54.58 52.51 3m9a n ASN 33 Cb 0.51 -0.49 0.42 0.00 -2.08 0.00 0.00 39.78 38.13 3m9a n ASN 33 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3m9a h GLU 34 N 0.00 0.58 -0.57 -3.83 4.81 -1.98 -1.69 114.58 111.90 3m9a h GLU 34 Ca -0.23 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 3m9a h GLU 34 Cb 0.78 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.03 3m9a h GLU 34 CO 0.22 0.38 0.00 0.09 -0.73 0.00 0.00 179.01 178.97 3m9a n ASN 35 N -4.52 3.15 0.00 1.04 4.13 -1.26 -4.92 115.26 112.87 3m9a n ASN 35 Ca 0.16 -2.07 0.00 0.00 1.68 0.00 0.00 54.58 54.35 3m9a n ASN 35 Cb 0.47 -0.40 0.00 0.00 -1.54 0.00 0.00 39.78 38.31 3m9a n ASN 35 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3m9a n GLY 36 N 1.30 1.00 3.78 7.41 0.00 -0.63 -5.04 105.19 113.01 3m9a n GLY 36 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3m9a n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m9a s GLU 37 N -0.40 4.41 0.39 1.61 0.41 -1.26 -4.69 118.70 119.17 3m9a s GLU 37 Ca 0.00 0.96 -0.26 0.00 -0.41 0.00 0.00 54.97 55.26 3m9a s GLU 37 Cb 0.00 -3.27 -0.09 0.00 -1.78 0.00 0.00 34.13 28.99 3m9a s GLU 37 CO 0.00 0.55 1.28 0.00 -0.49 0.00 0.00 175.26 176.60 3m9a s ALA 38 N -0.93 3.28 0.18 5.21 0.00 -1.26 -0.50 121.76 127.73 3m9a s ALA 38 Ca 0.33 1.19 0.01 0.00 0.00 0.00 0.00 51.96 53.49 3m9a s ALA 38 Cb -0.21 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 3m9a s ALA 38 CO 0.23 -0.74 0.02 1.14 0.00 0.00 0.00 175.76 176.41 3m9a s GLN 39 N -2.18 1.12 0.17 0.00 -2.07 0.10 -4.89 119.66 111.92 3m9a s GLN 39 Ca 0.56 -1.55 -0.19 0.00 -1.82 0.00 0.00 55.36 52.36 3m9a s GLN 39 Cb -0.37 -0.19 -0.08 0.00 -1.09 0.00 0.00 33.01 31.28 3m9a s GLN 39 CO 0.48 -0.17 0.66 1.41 -1.32 0.00 0.00 175.29 176.34 3m9a s MET 40 N -3.95 4.22 -0.11 9.60 -2.45 -1.26 -4.60 119.30 120.74 3m9a s MET 40 Ca 0.26 0.79 -0.10 0.00 -1.25 0.00 0.00 55.69 55.39 3m9a s MET 40 Cb 0.06 -3.01 0.03 0.00 1.25 0.00 0.00 34.83 33.17 3m9a s MET 40 CO 0.05 0.48 0.29 -0.51 1.05 0.00 0.00 175.02 176.38 3m9a s LEU 41 N -1.70 0.86 0.68 4.11 1.43 -0.43 -4.97 118.68 118.65 3m9a s LEU 41 Ca 0.38 0.59 -0.11 0.00 -1.03 0.00 0.00 54.13 53.96 3m9a s LEU 41 Cb -0.18 1.00 -0.00 0.00 0.03 0.00 0.00 46.19 47.04 3m9a s LEU 41 CO 0.21 -0.10 1.07 0.54 0.23 0.00 0.00 176.35 178.29 3m9a s ASN 42 N 0.21 5.70 0.32 2.29 2.20 -1.26 -0.84 114.94 123.56 3m9a s ASN 42 Ca -0.00 1.28 0.08 0.00 -0.94 0.00 0.00 52.86 53.27 3m9a s ASN 42 Cb -0.02 -2.18 0.80 0.00 -2.00 0.00 0.00 41.25 37.85 3m9a s ASN 42 CO -0.00 -1.19 1.78 0.11 -2.94 0.00 0.00 177.10 174.86 3m9a h LYS 43 N -0.55 0.68 -0.38 3.55 1.57 -1.99 -2.63 116.57 116.82 3m9a h LYS 43 Ca -0.45 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.22 3m9a h LYS 43 Cb 1.23 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 3m9a h LYS 43 CO 0.63 0.45 -0.03 1.15 -0.57 0.00 0.00 179.45 181.08 3m9a h THR 44 N 0.71 1.27 -0.38 -0.16 2.02 -1.98 -2.53 112.91 111.86 3m9a h THR 44 Ca 0.58 -1.06 0.08 0.00 0.77 0.00 0.00 66.41 66.78 3m9a h THR 44 Cb 0.98 1.18 -0.07 0.00 -1.74 0.00 0.00 68.15 68.50 3m9a h THR 44 CO -0.37 0.35 -0.11 0.00 0.37 0.00 0.00 175.52 175.76 3m9a h ALA 45 N 0.86 0.23 0.10 6.16 0.00 -1.86 -0.23 119.26 124.51 3m9a h ALA 45 Ca 0.11 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3m9a h ALA 45 Cb 0.52 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3m9a h ALA 45 CO 0.03 -0.47 -0.08 0.28 0.00 0.00 0.00 179.25 179.00 3m9a h VAL 46 N -0.02 0.82 -0.19 0.00 2.07 -1.38 0.11 116.25 117.66 3m9a h VAL 46 Ca 0.19 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.69 3m9a h VAL 46 Cb 0.31 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3m9a h VAL 46 CO -0.41 0.00 0.04 0.00 0.02 0.00 0.00 177.57 177.22 3m9a h ALA 47 N 0.71 1.72 -0.10 1.67 0.00 -1.13 -1.75 119.26 120.38 3m9a h ALA 47 Ca -0.00 -0.09 -0.23 0.00 0.00 0.00 0.00 54.91 54.59 3m9a h ALA 47 Cb 0.17 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.89 3m9a h ALA 47 CO -0.01 0.22 -0.85 0.93 0.00 0.00 0.00 179.25 179.54 3m9a h GLU 48 N 0.27 0.72 -0.62 0.00 5.08 -0.56 -3.33 114.58 116.14 3m9a h GLU 48 Ca 0.07 -0.64 -0.09 0.00 -1.00 0.00 0.00 59.36 57.70 3m9a h GLU 48 Cb 0.12 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3m9a h GLU 48 CO -0.00 1.24 0.04 0.52 -1.00 0.00 0.00 179.01 179.81 3m9a h MET 49 N 0.47 1.07 -6.19 2.33 2.86 -0.10 -3.44 114.93 111.93 3m9a h MET 49 Ca -0.07 -0.32 -0.65 0.00 -2.06 0.00 0.00 59.70 56.60 3m9a h MET 49 Cb 1.48 -0.11 -0.10 0.00 0.06 0.00 0.00 31.60 32.94 3m9a h MET 49 CO 0.17 1.02 -0.61 0.96 1.06 0.00 0.00 176.91 179.51 3m9a s ILE 50 N -5.09 4.43 -1.30 -1.22 -4.36 -0.72 -5.02 121.20 107.91 3m9a s ILE 50 Ca -0.12 -0.75 -0.07 0.00 -0.26 0.00 0.00 60.65 59.45 3m9a s ILE 50 Cb 0.14 -3.11 0.14 0.00 1.25 0.00 0.00 42.46 40.89 3m9a s ILE 50 CO 0.85 0.17 2.16 0.00 0.24 0.00 0.00 174.94 178.36 3m9a n GLN 51 N 0.63 4.21 -4.19 0.37 1.13 -1.26 -4.78 117.38 113.49 3m9a n GLN 51 Ca -0.10 -3.52 -0.13 0.00 -1.94 0.00 0.00 57.00 51.31 3m9a n GLN 51 Cb 0.52 -2.74 -0.10 0.00 0.11 0.00 0.00 30.24 28.02 3m9a n GLN 51 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3m9a s LEU 52 N -1.37 2.48 0.66 1.08 1.43 -1.26 -5.15 118.68 116.54 3m9a s LEU 52 Ca 0.48 -0.93 -0.16 0.00 -1.03 0.00 0.00 54.13 52.48 3m9a s LEU 52 Cb 0.15 -0.22 -0.00 0.00 0.03 0.00 0.00 46.19 46.15 3m9a s LEU 52 CO -0.05 -0.36 1.16 -0.94 0.23 0.00 0.00 176.35 176.39 3m9a s SER 53 N -2.85 4.90 0.16 2.29 1.04 -1.26 -4.80 113.70 113.18 3m9a s SER 53 Ca 0.10 2.20 -0.22 0.00 0.48 0.00 0.00 55.95 58.52 3m9a s SER 53 Cb 0.02 -2.57 0.05 0.00 0.10 0.00 0.00 66.02 63.61 3m9a s SER 53 CO -0.02 -1.78 1.62 0.11 0.98 0.00 0.00 173.24 174.15 3m9a h LYS 54 N 0.21 -0.21 -0.58 4.02 1.57 -1.98 -1.59 116.57 118.01 3m9a h LYS 54 Ca -0.48 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.43 3m9a h LYS 54 Cb 1.27 0.05 -0.10 0.00 0.08 0.00 0.00 32.23 33.54 3m9a h LYS 54 CO 0.53 -0.14 0.01 -1.35 -0.57 0.00 0.00 179.45 177.92 3m9a h PRO 55 N -0.22 0.12 0.51 3.15 0.11 -1.99 0.39 132.00 134.06 3m9a h PRO 55 Ca 0.16 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.24 3m9a h PRO 55 Cb 0.47 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.55 3m9a h PRO 55 CO -0.44 0.08 -0.29 1.15 -0.21 0.00 0.00 178.00 178.28 3m9a h THR 56 N 0.12 0.40 -0.45 -1.15 2.02 -1.86 -1.92 112.91 110.08 3m9a h THR 56 Ca 0.30 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.47 3m9a h THR 56 Cb 0.47 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 3m9a h THR 56 CO -0.49 0.00 0.24 0.58 0.37 0.00 0.00 175.52 176.23 3m9a h VAL 57 N -0.75 1.16 -0.26 3.16 2.07 -0.75 -1.96 116.25 118.92 3m9a h VAL 57 Ca -0.06 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 3m9a h VAL 57 Cb 0.61 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3m9a h VAL 57 CO 0.07 0.17 0.12 -0.26 0.02 0.00 0.00 177.57 177.70 3m9a h PHE 58 N 0.59 0.39 -0.75 1.57 -1.00 -0.25 -0.46 116.94 117.03 3m9a h PHE 58 Ca 0.16 -0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.91 3m9a h PHE 58 Cb 0.06 -0.12 -0.04 0.00 3.61 0.00 0.00 35.95 39.46 3m9a h PHE 58 CO -0.02 0.37 0.46 0.00 -1.61 0.00 0.00 178.31 177.51 3m9a h ALA 59 N 0.98 1.39 -0.24 2.45 0.00 -1.23 0.33 119.26 122.94 3m9a h ALA 59 Ca 0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3m9a h ALA 59 Cb 0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3m9a h ALA 59 CO -0.01 0.53 0.02 1.15 0.00 0.00 0.00 179.25 180.94 3m9a h THR 60 N 1.03 1.24 -0.07 0.00 2.02 -1.04 -0.93 112.91 115.16 3m9a h THR 60 Ca 0.27 -0.82 0.03 0.00 0.77 0.00 0.00 66.41 66.66 3m9a h THR 60 Cb -0.05 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 3m9a h THR 60 CO -0.05 0.26 -0.13 0.58 0.37 0.00 0.00 175.52 176.54 3m9a h VAL 61 N 0.20 0.65 -0.23 3.16 2.07 -0.59 0.11 116.25 121.61 3m9a h VAL 61 Ca 0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.65 3m9a h VAL 61 Cb 0.36 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 3m9a h VAL 61 CO 0.01 0.00 -0.16 0.78 0.02 0.00 0.00 177.57 178.22 3m9a h ASN 62 N -0.19 -0.52 -0.59 0.57 2.35 -0.89 -1.13 115.58 115.17 3m9a h ASN 62 Ca 0.07 0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.86 3m9a h ASN 62 Cb 0.29 0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.90 3m9a h ASN 62 CO -0.18 -0.20 0.13 0.28 -1.65 0.00 0.00 177.43 175.81 3m9a h SER 63 N -0.15 0.95 -0.02 5.81 0.02 -0.92 -1.61 113.55 117.62 3m9a h SER 63 Ca 0.13 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 3m9a h SER 63 Cb 0.35 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 3m9a h SER 63 CO -0.33 0.93 -0.08 -0.26 -1.14 0.00 0.00 176.83 175.95 3m9a h PHE 64 N 0.95 0.25 -0.26 3.45 -1.00 -0.66 0.18 116.94 119.85 3m9a h PHE 64 Ca 0.20 -0.02 -0.14 0.00 2.81 0.00 0.00 57.97 60.81 3m9a h PHE 64 Cb 0.37 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 3m9a h PHE 64 CO 0.03 0.33 -0.43 -0.92 -1.61 0.00 0.00 178.31 175.71 3m9a h TYR 65 N 0.24 0.78 -0.21 -0.55 3.20 -0.82 0.21 116.97 119.83 3m9a h TYR 65 Ca 0.05 -0.24 -0.00 0.00 3.14 0.00 0.00 58.73 61.68 3m9a h TYR 65 Cb 0.30 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 3m9a h TYR 65 CO 0.00 0.97 0.12 0.00 -1.64 0.00 0.00 178.16 177.61 3m9a h ALA 67 N 1.01 1.03 0.00 0.00 0.00 -0.70 -3.46 119.26 117.13 3m9a h ALA 67 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3m9a h ALA 67 Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3m9a h ALA 67 CO -0.01 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.65 3m9a n GLY 68 N -0.81 0.61 0.09 0.00 0.00 -0.90 -4.96 105.19 99.21 3m9a n GLY 68 Ca -0.02 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 3m9a n GLY 68 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3m9a h TYR 69 N 0.00 0.19 -3.80 1.61 0.05 -0.83 -3.41 116.97 110.76 3m9a h TYR 69 Ca 0.00 -0.14 -0.62 0.00 0.05 0.00 0.00 58.73 58.02 3m9a h TYR 69 Cb 0.00 -0.01 -0.21 0.00 1.01 0.00 0.00 36.73 37.52 3m9a h TYR 69 CO 0.00 1.16 -0.84 0.96 -1.05 0.00 0.00 178.16 178.39 3m9a s ILE 70 N -2.64 2.02 0.12 -2.88 -4.36 -0.98 -1.53 121.20 110.95 3m9a s ILE 70 Ca -0.05 -1.71 0.00 0.00 -0.26 0.00 0.00 60.65 58.63 3m9a s ILE 70 Cb 0.08 -1.83 -0.04 0.00 1.25 0.00 0.00 42.46 41.92 3m9a s ILE 70 CO 0.83 -0.02 0.28 -1.81 0.24 0.00 0.00 174.94 174.47 3m9a s ASP 71 N -2.10 6.37 -0.07 4.36 1.01 0.35 -4.29 116.67 122.31 3m9a s ASP 71 Ca 0.12 0.30 0.04 0.00 0.71 0.00 0.00 52.55 53.72 3m9a s ASP 71 Cb -0.09 -1.97 -0.02 0.00 1.01 0.00 0.00 42.92 41.85 3m9a s ASP 71 CO 0.06 0.09 -0.19 -0.70 0.21 0.00 0.00 175.17 174.63 3m9a s GLU 72 N -2.88 2.66 -0.02 8.23 2.12 -1.26 -2.37 118.70 125.18 3m9a s GLU 72 Ca 0.36 -0.80 -0.00 0.00 0.36 0.00 0.00 54.97 54.89 3m9a s GLU 72 Cb -0.12 -2.31 0.02 0.00 0.26 0.00 0.00 34.13 31.98 3m9a s GLU 72 CO 0.28 0.44 0.03 -0.08 -0.54 0.00 0.00 175.26 175.39 3m9a s THR 73 N -0.28 -0.03 0.25 -1.70 -1.32 -0.25 -4.96 115.64 107.35 3m9a s THR 73 Ca 0.01 0.12 -0.30 0.00 -1.21 0.00 0.00 61.69 60.31 3m9a s THR 73 Cb -0.13 -0.07 -0.09 0.00 -1.51 0.00 0.00 72.50 70.70 3m9a s THR 73 CO 0.03 0.05 1.11 -0.13 -2.21 0.00 0.00 174.62 173.47 3m9a s ARG 74 N 0.62 4.62 -0.29 7.08 0.52 -1.26 -0.76 118.95 129.47 3m9a s ARG 74 Ca -0.05 1.80 -0.09 0.00 -0.52 0.00 0.00 55.73 56.87 3m9a s ARG 74 Cb -0.07 -3.21 0.13 0.00 0.52 0.00 0.00 34.95 32.32 3m9a s ARG 74 CO -0.02 0.16 0.63 0.54 0.02 0.00 0.00 175.30 176.63 3m9a s VAL 75 N -0.91 -0.97 0.00 3.52 0.11 0.52 -4.92 120.40 117.76 3m9a s VAL 75 Ca 0.46 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.52 3m9a s VAL 75 Cb -0.32 -0.97 0.00 0.00 -1.53 0.00 0.00 36.38 33.56 3m9a s VAL 75 CO 0.40 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.78 3m9a n GLY 76 N 5.44 2.85 1.14 6.54 0.00 -1.26 -1.57 105.19 118.33 3m9a n GLY 76 Ca -0.11 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 45.67 3m9a n GLY 76 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3m9a n ARG 77 N 13.69 3.41 -1.36 1.61 0.00 -1.26 -4.99 116.66 127.77 3m9a n ARG 77 Ca 0.00 -2.91 0.00 0.00 -0.00 0.00 0.00 57.85 54.94 3m9a n ARG 77 Cb 0.00 -1.94 0.00 0.00 -0.00 0.00 0.00 32.46 30.52 3m9a n ARG 77 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3m9a n SER 78 N -0.20 1.84 -4.30 2.89 3.41 -0.61 -5.15 113.62 111.50 3m9a n SER 78 Ca 0.23 -0.71 -0.21 0.00 -0.26 0.00 0.00 58.87 57.92 3m9a n SER 78 Cb 0.96 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.80 3m9a n SER 78 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3m9a s LYS 79 N -1.08 1.17 0.08 4.33 -0.14 -1.26 -0.36 119.74 122.48 3m9a s LYS 79 Ca 0.00 -1.32 0.04 0.00 -1.36 0.00 0.00 55.97 53.33 3m9a s LYS 79 Cb 0.00 -1.19 -0.03 0.00 -1.68 0.00 0.00 37.83 34.93 3m9a s LYS 79 CO 0.00 0.24 -0.11 0.96 -0.76 0.00 0.00 175.35 175.68 3m9a s ILE 80 N -1.96 0.92 -0.07 2.17 -4.36 0.06 -4.63 121.20 113.32 3m9a s ILE 80 Ca 0.12 -1.43 0.04 0.00 -0.26 0.00 0.00 60.65 59.12 3m9a s ILE 80 Cb -0.06 -1.13 -0.02 0.00 1.25 0.00 0.00 42.46 42.51 3m9a s ILE 80 CO 0.05 -0.42 -0.19 -0.31 0.24 0.00 0.00 174.94 174.30 3m9a s TYR 81 N -1.88 2.60 0.08 1.37 2.02 -0.02 -1.09 117.35 120.43 3m9a s TYR 81 Ca 0.00 -0.56 0.03 0.00 -0.37 0.00 0.00 57.07 56.17 3m9a s TYR 81 Cb -0.06 -1.67 -0.03 0.00 -0.40 0.00 0.00 41.96 39.80 3m9a s TYR 81 CO 0.01 -0.11 -0.09 0.95 -1.57 0.00 0.00 175.55 174.74 3m9a s THR 82 N -0.18 0.77 0.30 -0.71 -4.23 -1.00 -1.32 115.64 109.26 3m9a s THR 82 Ca -0.02 -1.57 -0.29 0.00 -1.18 0.00 0.00 61.69 58.63 3m9a s THR 82 Cb -0.14 -1.25 -0.10 0.00 1.34 0.00 0.00 72.50 72.36 3m9a s THR 82 CO 0.03 -0.60 1.34 -0.76 -0.54 0.00 0.00 174.62 174.10 3m9a s LEU 83 N -2.37 4.41 1.11 4.79 1.43 -1.26 0.13 118.68 126.92 3m9a s LEU 83 Ca 0.03 2.66 -0.18 0.00 -1.03 0.00 0.00 54.13 55.61 3m9a s LEU 83 Cb -0.03 -3.64 0.26 0.00 0.03 0.00 0.00 46.19 42.81 3m9a s LEU 83 CO -0.01 -0.58 1.22 -0.94 0.23 0.00 0.00 176.35 176.27 3m9a s SER 84 N -0.21 1.77 0.36 2.29 1.04 -0.58 -4.65 113.70 113.72 3m9a s SER 84 Ca 0.52 0.39 0.05 0.00 0.48 0.00 0.00 55.95 57.39 3m9a s SER 84 Cb -0.40 -0.48 0.67 0.00 0.10 0.00 0.00 66.02 65.91 3m9a s SER 84 CO 0.50 -3.57 1.94 0.44 0.98 0.00 0.00 173.24 173.52 3m9a h ASP 85 N -2.21 0.51 -0.45 7.02 3.32 -1.88 0.03 116.42 122.75 3m9a h ASP 85 Ca -0.44 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.52 3m9a h ASP 85 Cb 1.26 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 3m9a h ASP 85 CO 0.33 0.50 0.19 0.25 -1.72 0.00 0.00 179.24 178.79 3m9a h LEU 86 N 0.56 0.62 0.06 1.55 5.85 -1.87 -1.64 115.31 120.44 3m9a h LEU 86 Ca 0.13 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.70 3m9a h LEU 86 Cb 0.18 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3m9a h LEU 86 CO -0.01 0.62 -0.14 1.23 -0.34 0.00 0.00 178.44 179.80 3m9a h GLY 87 N 0.59 -0.23 0.69 3.75 0.00 -1.30 -1.50 103.07 105.07 3m9a h GLY 87 Ca 0.15 0.16 0.07 0.00 0.00 0.00 0.00 47.33 47.71 3m9a h GLY 87 CO -0.01 -0.14 0.55 -2.08 0.00 0.00 0.00 176.54 174.86 3m9a h VAL 88 N -0.26 1.03 -0.68 4.60 2.07 -0.96 -1.37 116.25 120.68 3m9a h VAL 88 Ca 0.03 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 3m9a h VAL 88 Cb 0.29 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 3m9a h VAL 88 CO -0.09 0.18 0.19 -0.33 0.02 0.00 0.00 177.57 177.53 3m9a h GLU 89 N 0.98 1.07 -0.25 1.57 5.08 -0.92 -1.57 114.58 120.55 3m9a h GLU 89 Ca 0.39 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3m9a h GLU 89 Cb 0.21 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3m9a h GLU 89 CO -0.19 0.94 0.15 0.82 -1.00 0.00 0.00 179.01 179.74 3m9a h ILE 90 N 1.01 1.09 -0.82 3.13 2.04 -0.90 -2.71 117.51 120.35 3m9a h ILE 90 Ca 0.22 -0.19 0.11 0.00 1.00 0.00 0.00 64.86 66.00 3m9a h ILE 90 Cb 0.33 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 37.12 3m9a h ILE 90 CO -0.00 0.08 0.53 0.58 0.00 0.00 0.00 178.15 179.34 3m9a h VAL 91 N 0.32 0.90 -0.58 1.67 2.07 -0.99 -2.38 116.25 117.25 3m9a h VAL 91 Ca 0.09 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 3m9a h VAL 91 Cb 0.00 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 29.89 3m9a h VAL 91 CO -0.02 0.13 0.28 -0.33 0.02 0.00 0.00 177.57 177.65 3m9a h GLU 92 N 0.69 0.82 -0.84 1.57 4.39 -0.96 -1.86 114.58 118.39 3m9a h GLU 92 Ca 0.39 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.95 3m9a h GLU 92 Cb 0.56 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.01 3m9a h GLU 92 CO -0.16 0.63 0.38 0.00 -1.16 0.00 0.00 179.01 178.70 3m9a h PHE 94 N 1.20 0.37 -0.98 0.00 0.04 -1.46 -2.62 116.94 113.50 3m9a h PHE 94 Ca 0.28 -0.09 0.16 0.00 2.80 0.00 0.00 57.97 61.13 3m9a h PHE 94 Cb 0.16 -0.09 -0.09 0.00 2.20 0.00 0.00 35.95 38.13 3m9a h PHE 94 CO 0.02 0.62 0.61 -0.22 -0.60 0.00 0.00 178.31 178.74 3m9a h LYS 95 N 0.01 0.78 -0.39 1.51 3.64 -1.24 -1.61 116.57 119.27 3m9a h LYS 95 Ca 0.04 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 3m9a h LYS 95 Cb 0.51 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 3m9a h LYS 95 CO 0.02 0.51 -0.33 1.96 -2.27 0.00 0.00 179.45 179.34 3m9a h GLN 96 N 0.80 0.88 0.07 1.90 4.20 -1.28 -3.00 115.11 118.68 3m9a h GLN 96 Ca 0.52 -0.43 0.02 0.00 0.06 0.00 0.00 58.65 58.83 3m9a h GLN 96 Cb 0.76 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.50 3m9a h GLN 96 CO -0.29 1.07 -0.23 0.87 -0.67 0.00 0.00 178.83 179.58 3m9a h LYS 97 N 0.73 -0.38 0.00 1.46 1.79 -1.01 -3.52 116.57 115.65 3m9a h LYS 97 Ca 0.07 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 3m9a h LYS 97 Cb 0.90 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 3m9a h LYS 97 CO 0.08 -0.25 0.00 0.00 -1.08 0.00 0.00 179.45 178.20