#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a9n s ARG 7 N 0.00 2.81 0.52 0.38 1.70 -1.26 -4.93 118.95 118.16 1a9n s ARG 7 Ca 0.00 0.65 -0.20 0.00 -0.47 0.00 0.00 55.73 55.71 1a9n s ARG 7 Cb 0.00 -2.00 -0.09 0.00 -0.57 0.00 0.00 34.95 32.29 1a9n s ARG 7 CO 0.00 -1.11 0.74 -2.30 -1.08 0.00 0.00 175.30 171.54 1a9n n PRO 8 N -3.09 0.80 -3.84 3.89 -0.02 -1.26 -4.84 135.00 126.63 1a9n n PRO 8 Ca 0.07 0.30 -0.09 0.00 -2.02 0.00 0.00 63.50 61.75 1a9n n PRO 8 Cb 0.56 -1.85 -0.07 0.00 -0.02 0.00 0.00 33.50 32.12 1a9n n PRO 8 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1a9n s ASN 9 N -1.05 0.07 0.25 2.55 3.84 -1.26 -5.04 114.94 114.29 1a9n s ASN 9 Ca 0.68 -0.55 0.00 0.00 0.21 0.00 0.00 52.86 53.20 1a9n s ASN 9 Cb -0.49 0.34 0.30 0.00 -0.55 0.00 0.00 41.25 40.84 1a9n s ASN 9 CO 0.54 -0.69 1.66 0.45 -2.79 0.00 0.00 177.10 176.26 1a9n h HIS 10 N 2.91 0.63 -2.91 0.43 3.86 -1.90 -3.43 115.15 114.74 1a9n h HIS 10 Ca -0.33 -0.16 -0.67 0.00 -1.16 0.00 0.00 60.37 58.05 1a9n h HIS 10 Cb 1.20 -0.15 -0.10 0.00 1.06 0.00 0.00 27.41 29.42 1a9n h HIS 10 CO 0.44 0.80 -0.54 0.99 0.86 0.00 0.00 177.93 180.48 1a9n s THR 11 N -4.41 5.04 0.11 2.45 2.01 -1.26 -2.32 115.64 117.26 1a9n s THR 11 Ca -0.07 -0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.01 1a9n s THR 11 Cb 0.13 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.42 1a9n s THR 11 CO 0.81 0.59 -0.16 0.27 -0.69 0.00 0.00 174.62 175.44 1a9n s ILE 12 N -1.00 2.99 -0.19 1.82 -4.36 -0.87 -2.02 121.20 117.56 1a9n s ILE 12 Ca 0.15 -1.43 -0.04 0.00 -0.26 0.00 0.00 60.65 59.07 1a9n s ILE 12 Cb -0.12 -2.37 -0.02 0.00 1.25 0.00 0.00 42.46 41.20 1a9n s ILE 12 CO 0.04 0.11 -0.02 -0.47 0.24 0.00 0.00 174.94 174.85 1a9n s TYR 13 N -1.15 3.01 -0.04 1.37 5.04 0.15 -1.97 117.35 123.75 1a9n s TYR 13 Ca 0.19 -0.53 0.03 0.00 -2.44 0.00 0.00 57.07 54.31 1a9n s TYR 13 Cb -0.11 -2.06 -0.03 0.00 0.35 0.00 0.00 41.96 40.12 1a9n s TYR 13 CO 0.11 -0.27 -0.09 0.42 -1.34 0.00 0.00 175.55 174.38 1a9n s ILE 14 N 0.96 3.47 0.21 3.14 1.01 -0.03 -1.30 121.20 128.66 1a9n s ILE 14 Ca 0.01 -0.66 -0.07 0.00 0.00 0.00 0.00 60.65 59.93 1a9n s ILE 14 Cb -0.14 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 1a9n s ILE 14 CO 0.01 0.53 0.29 0.54 0.00 0.00 0.00 174.94 176.31 1a9n s ASN 15 N -0.98 0.04 0.00 3.58 2.20 -0.50 -1.66 114.94 117.62 1a9n s ASN 15 Ca 0.13 -1.14 0.00 0.00 -0.94 0.00 0.00 52.86 50.92 1a9n s ASN 15 Cb -0.11 0.47 0.00 0.00 -2.00 0.00 0.00 41.25 39.61 1a9n s ASN 15 CO 0.03 -0.97 0.00 -3.20 -2.94 0.00 0.00 177.10 170.02 1a9n n ASN 16 N -0.30 -1.81 -4.92 3.54 5.15 -1.01 -1.99 115.26 113.92 1a9n n ASN 16 Ca -0.01 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.66 1a9n n ASN 16 Cb 0.64 -0.48 -0.04 0.00 -0.53 0.00 0.00 39.78 39.37 1a9n n ASN 16 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1a9n s MET 17 N -2.99 3.48 -0.33 1.20 -1.94 -1.11 -4.59 119.30 113.02 1a9n s MET 17 Ca 0.00 -0.37 -0.27 0.00 -1.71 0.00 0.00 55.69 53.34 1a9n s MET 17 Cb 0.00 -2.99 -0.06 0.00 2.01 0.00 0.00 34.83 33.79 1a9n s MET 17 CO 0.00 0.57 2.31 -1.71 -0.01 0.00 0.00 175.02 176.18 1a9n n ASN 18 N 0.19 2.88 -0.04 3.03 2.85 -1.26 -4.43 115.26 118.48 1a9n n ASN 18 Ca -0.04 -0.09 0.00 0.00 -0.11 0.00 0.00 54.58 54.33 1a9n n ASN 18 Cb 0.51 -1.57 0.00 0.00 1.24 0.00 0.00 39.78 39.96 1a9n n ASN 18 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 1a9n n ASP 19 N 13.45 0.08 0.07 1.20 5.68 -1.26 -3.35 116.55 132.41 1a9n n ASP 19 Ca 0.33 -1.71 0.08 0.00 -0.50 0.00 0.00 54.79 52.99 1a9n n ASP 19 Cb 0.49 -0.04 -0.04 0.00 -1.14 0.00 0.00 41.12 40.39 1a9n n ASP 19 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1a9n n LYS 20 N -0.45 0.61 -1.99 0.11 5.02 -1.26 -4.89 118.16 115.32 1a9n n LYS 20 Ca 0.00 0.12 -0.41 0.00 -2.02 0.00 0.00 58.31 56.00 1a9n n LYS 20 Cb 0.02 -1.79 -0.02 0.00 -0.02 0.00 0.00 35.03 33.22 1a9n n LYS 20 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1a9n s ILE 21 N -3.25 2.54 0.55 -0.18 -1.09 -1.21 -4.94 121.20 113.62 1a9n s ILE 21 Ca -0.02 0.49 -0.22 0.00 -2.23 0.00 0.00 60.65 58.67 1a9n s ILE 21 Cb 0.10 -3.31 -0.05 0.00 -1.58 0.00 0.00 42.46 37.62 1a9n s ILE 21 CO 0.81 0.09 1.36 -0.54 -1.23 0.00 0.00 174.94 175.42 1a9n s LYS 22 N -0.98 3.11 0.18 2.79 1.02 -1.26 -4.75 119.74 119.84 1a9n s LYS 22 Ca 0.56 2.23 -0.21 0.00 0.02 0.00 0.00 55.97 58.57 1a9n s LYS 22 Cb -0.42 -2.24 0.11 0.00 -0.52 0.00 0.00 37.83 34.76 1a9n s LYS 22 CO 0.49 -1.21 1.60 -0.22 -0.92 0.00 0.00 175.35 175.08 1a9n h LYS 23 N 1.41 -0.18 0.00 1.68 3.64 -1.96 -0.57 116.57 120.60 1a9n h LYS 23 Ca -0.51 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.84 1a9n h LYS 23 Cb 1.30 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.16 1a9n h LYS 23 CO 0.57 -0.12 -0.20 0.93 -2.27 0.00 0.00 179.45 178.36 1a9n h GLU 24 N -0.18 0.00 0.03 1.90 4.39 -1.97 -1.64 114.58 117.11 1a9n h GLU 24 Ca 0.21 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.64 1a9n h GLU 24 Cb 0.53 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1a9n h GLU 24 CO -0.61 0.20 -1.08 1.49 -1.16 0.00 0.00 179.01 177.85 1a9n h GLU 25 N 0.00 0.62 -0.54 2.33 4.81 -1.71 -2.52 114.58 117.58 1a9n h GLU 25 Ca -0.00 -0.71 -0.01 0.00 -0.13 0.00 0.00 59.36 58.51 1a9n h GLU 25 Cb 0.39 0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 1a9n h GLU 25 CO 0.03 1.30 0.30 1.25 -0.73 0.00 0.00 179.01 181.16 1a9n h LEU 26 N 0.33 0.67 0.19 1.64 5.85 -0.70 0.19 115.31 123.48 1a9n h LEU 26 Ca -0.14 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 1a9n h LEU 26 Cb 1.74 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.60 1a9n h LEU 26 CO 0.21 0.56 -0.09 0.11 -0.34 0.00 0.00 178.44 178.88 1a9n h LYS 27 N 0.72 -0.25 -0.52 1.25 1.57 -1.34 -0.58 116.57 117.43 1a9n h LYS 27 Ca 0.19 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 59.09 1a9n h LYS 27 Cb 0.03 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.31 1a9n h LYS 27 CO -0.03 0.07 0.03 -0.09 -0.57 0.00 0.00 179.45 178.86 1a9n h ARG 28 N -0.57 0.15 -0.87 3.15 2.43 -1.30 0.27 114.38 117.63 1a9n h ARG 28 Ca -0.03 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1a9n h ARG 28 Cb 0.42 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.90 1a9n h ARG 28 CO 0.04 0.10 0.44 0.77 -1.51 0.00 0.00 179.97 179.81 1a9n h SER 29 N 0.15 1.12 -0.32 -3.80 0.02 -0.54 -1.12 113.55 109.07 1a9n h SER 29 Ca 0.26 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1a9n h SER 29 Cb 0.39 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1a9n h SER 29 CO -0.40 0.93 0.16 -0.07 -1.14 0.00 0.00 176.83 176.30 1a9n h LEU 30 N 1.23 0.40 -0.00 5.07 3.38 0.04 -0.89 115.31 124.55 1a9n h LEU 30 Ca 0.30 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.18 1a9n h LEU 30 Cb 0.09 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1a9n h LEU 30 CO -0.04 0.40 -0.14 0.22 0.09 0.00 0.00 178.44 178.97 1a9n h TYR 31 N 0.38 -0.36 -0.47 1.13 3.20 0.05 -1.49 116.97 119.42 1a9n h TYR 31 Ca 0.11 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1a9n h TYR 31 Cb 0.09 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 1a9n h TYR 31 CO -0.02 -0.21 0.27 0.00 -1.64 0.00 0.00 178.16 176.56 1a9n h ALA 32 N 0.72 0.61 -0.27 1.82 0.00 -1.03 -1.12 119.26 119.99 1a9n h ALA 32 Ca 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1a9n h ALA 32 Cb 0.29 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1a9n h ALA 32 CO -0.14 0.12 0.12 1.25 0.00 0.00 0.00 179.25 180.60 1a9n h LEU 33 N 0.63 0.37 0.00 0.00 5.85 -0.98 -3.08 115.31 118.09 1a9n h LEU 33 Ca 0.17 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1a9n h LEU 33 Cb 0.04 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1a9n h LEU 33 CO -0.03 0.42 0.00 0.49 -0.34 0.00 0.00 178.44 178.98 1a9n n PHE 34 N -4.78 0.00 0.22 1.25 3.72 -0.58 -3.67 117.46 113.62 1a9n n PHE 34 Ca -0.02 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.47 1a9n n PHE 34 Cb 0.12 -0.29 0.45 0.00 -0.94 0.00 0.00 39.48 38.82 1a9n n PHE 34 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1a9n h SER 35 N 0.00 0.00 0.13 4.37 4.64 -1.10 -3.06 113.55 118.53 1a9n h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a9n h SER 35 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1a9n h SER 35 CO 0.00 0.24 0.00 0.06 -0.87 0.00 0.00 176.83 176.26 1a9n h GLN 36 N 0.00 0.00 0.00 4.77 3.07 -1.74 -3.03 115.11 118.18 1a9n h GLN 36 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1a9n h GLN 36 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.32 1a9n h GLN 36 CO 0.03 0.00 -1.53 1.19 0.09 0.00 0.00 178.83 178.61 1a9n n PHE 37 N -2.48 0.00 -0.12 0.06 3.72 -1.15 -5.09 117.46 112.39 1a9n n PHE 37 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1a9n n PHE 37 Cb 0.08 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.33 1a9n n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a9n n GLY 38 N 1.45 -2.41 3.75 1.37 0.00 -1.15 -4.61 105.19 103.59 1a9n n GLY 38 Ca -0.01 -1.24 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 1a9n n GLY 38 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1a9n s HIS 39 N -2.03 3.74 -0.22 1.61 2.46 -1.26 -4.50 115.29 115.07 1a9n s HIS 39 Ca 0.00 1.76 -0.08 0.00 0.47 0.00 0.00 55.06 57.21 1a9n s HIS 39 Cb 0.00 -3.16 -0.04 0.00 -0.13 0.00 0.00 32.58 29.25 1a9n s HIS 39 CO 0.00 -0.17 0.08 0.08 -2.47 0.00 0.00 174.74 172.26 1a9n s VAL 40 N -0.87 4.62 -0.02 0.89 1.01 -1.26 -2.64 120.40 122.14 1a9n s VAL 40 Ca 0.45 -0.08 -0.11 0.00 0.00 0.00 0.00 61.98 62.24 1a9n s VAL 40 Cb -0.29 -3.13 -0.32 0.00 0.00 0.00 0.00 36.38 32.65 1a9n s VAL 40 CO 0.36 0.38 0.80 0.58 0.00 0.00 0.00 175.10 177.22 1a9n h VAL 41 N 5.25 1.08 -2.75 2.92 2.07 -0.80 -3.48 116.25 120.53 1a9n h VAL 41 Ca -0.37 -2.62 0.04 0.00 0.82 0.00 0.00 66.70 64.57 1a9n h VAL 41 Cb 1.18 2.84 -0.12 0.00 -1.52 0.00 0.00 31.29 33.67 1a9n h VAL 41 CO 0.62 0.84 0.31 -0.62 0.02 0.00 0.00 177.57 178.74 1a9n s ASP 42 N -7.32 -0.44 -0.05 0.57 2.15 -1.18 -5.03 116.67 105.37 1a9n s ASP 42 Ca -0.13 -0.11 -0.01 0.00 0.43 0.00 0.00 52.55 52.74 1a9n s ASP 42 Cb 0.05 0.55 0.03 0.00 -0.30 0.00 0.00 42.92 43.25 1a9n s ASP 42 CO 0.88 -0.92 0.01 -0.63 -0.17 0.00 0.00 175.17 174.34 1a9n s ILE 43 N -3.56 0.25 -0.17 4.11 1.01 -1.26 -1.18 121.20 120.40 1a9n s ILE 43 Ca 0.04 0.14 -0.03 0.00 0.00 0.00 0.00 60.65 60.80 1a9n s ILE 43 Cb -0.02 -0.39 -0.02 0.00 0.01 0.00 0.00 42.46 42.04 1a9n s ILE 43 CO -0.08 0.21 -0.05 -0.69 0.00 0.00 0.00 174.94 174.32 1a9n s VAL 44 N 1.59 3.64 -0.29 2.92 1.01 -0.16 -4.95 120.40 124.15 1a9n s VAL 44 Ca -0.02 -0.44 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 1a9n s VAL 44 Cb -0.13 -2.60 0.12 0.00 0.00 0.00 0.00 36.38 33.77 1a9n s VAL 44 CO -0.03 0.48 0.64 0.00 0.00 0.00 0.00 175.10 176.19 1a9n s ALA 45 N 0.66 -1.94 0.20 5.51 0.00 -1.26 -0.37 121.76 124.55 1a9n s ALA 45 Ca -0.03 2.30 0.11 0.00 0.00 0.00 0.00 51.96 54.34 1a9n s ALA 45 Cb -0.15 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 1a9n s ALA 45 CO 0.02 -0.79 -0.18 -0.51 0.00 0.00 0.00 175.76 174.30 1a9n s LEU 46 N 2.58 2.64 0.00 0.00 1.02 -1.26 -5.04 118.68 118.61 1a9n s LEU 46 Ca -0.07 -0.78 0.23 0.00 0.02 0.00 0.00 54.13 53.53 1a9n s LEU 46 Cb -0.10 -1.34 0.44 0.00 0.02 0.00 0.00 46.19 45.21 1a9n s LEU 46 CO -0.19 0.11 1.40 0.29 0.02 0.00 0.00 176.35 177.98 1a9n n LYS 47 N 0.11 2.51 -0.60 1.70 4.76 -1.26 -3.24 118.16 122.14 1a9n n LYS 47 Ca -0.11 -2.31 -0.31 0.00 -2.87 0.00 0.00 58.31 52.71 1a9n n LYS 47 Cb 0.56 -1.51 0.20 0.00 -1.84 0.00 0.00 35.03 32.45 1a9n n LYS 47 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1a9n n THR 48 N 1.47 0.00 -0.12 -0.18 -2.24 -1.26 -4.41 114.28 107.55 1a9n n THR 48 Ca 0.20 -0.33 -0.06 0.00 -2.27 0.00 0.00 64.05 61.59 1a9n n THR 48 Cb 0.60 -0.81 0.02 0.00 -2.10 0.00 0.00 70.33 68.04 1a9n n THR 48 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1a9n h MET 49 N -2.28 0.34 0.14 -0.78 2.86 -1.96 0.12 114.93 113.38 1a9n h MET 49 Ca -0.55 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.06 1a9n h MET 49 Cb 1.33 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.92 1a9n h MET 49 CO 0.43 0.23 -0.07 -0.22 1.06 0.00 0.00 176.91 178.34 1a9n h LYS 50 N 0.35 -0.18 -0.00 1.72 3.64 -1.97 -3.30 116.57 116.83 1a9n h LYS 50 Ca 0.17 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1a9n h LYS 50 Cb 0.11 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1a9n h LYS 50 CO -0.14 0.06 -0.26 -1.33 -2.27 0.00 0.00 179.45 175.50 1a9n n MET 51 N -5.07 0.09 -1.56 1.90 2.81 -1.13 -4.93 117.12 109.24 1a9n n MET 51 Ca -0.09 -0.04 -0.37 0.00 -1.81 0.00 0.00 57.70 55.39 1a9n n MET 51 Cb 0.18 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.25 1a9n n MET 51 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 1a9n n ARG 52 N -1.42 0.77 -0.96 0.03 1.85 0.41 -2.38 116.66 114.95 1a9n n ARG 52 Ca 0.07 0.31 0.00 0.00 -1.00 0.00 0.00 57.85 57.23 1a9n n ARG 52 Cb 0.33 -2.14 0.00 0.00 -1.05 0.00 0.00 32.46 29.60 1a9n n ARG 52 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1a9n n GLY 53 N 1.31 0.72 3.40 2.89 0.00 -1.26 -4.98 105.19 107.26 1a9n n GLY 53 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 1a9n n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a9n s GLN 54 N -0.16 1.48 -0.20 1.61 -0.21 -1.00 -2.39 119.66 118.78 1a9n s GLN 54 Ca 0.00 -1.75 -0.29 0.00 0.02 0.00 0.00 55.36 53.34 1a9n s GLN 54 Cb 0.00 -0.99 0.14 0.00 1.00 0.00 0.00 33.01 33.16 1a9n s GLN 54 CO 0.00 -0.00 1.07 0.00 -2.12 0.00 0.00 175.29 174.24 1a9n s ALA 55 N -3.14 -1.98 -0.13 6.09 0.00 -0.66 -4.49 121.76 117.45 1a9n s ALA 55 Ca 0.29 1.67 -0.01 0.00 0.00 0.00 0.00 51.96 53.91 1a9n s ALA 55 Cb 0.04 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 1a9n s ALA 55 CO 0.11 -0.28 -0.09 -0.06 0.00 0.00 0.00 175.76 175.44 1a9n s PHE 56 N -0.90 2.90 -0.21 0.00 0.40 0.50 -0.85 117.98 119.82 1a9n s PHE 56 Ca 0.01 -0.46 0.01 0.00 -0.60 0.00 0.00 56.93 55.89 1a9n s PHE 56 Cb -0.01 -1.88 0.04 0.00 0.51 0.00 0.00 43.02 41.69 1a9n s PHE 56 CO -0.01 -0.10 -0.11 0.08 0.70 0.00 0.00 175.22 175.78 1a9n s VAL 57 N 0.26 1.78 -0.25 -0.44 1.01 -0.83 -0.99 120.40 120.94 1a9n s VAL 57 Ca -0.06 -1.13 -0.13 0.00 0.00 0.00 0.00 61.98 60.65 1a9n s VAL 57 Cb -0.15 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1a9n s VAL 57 CO 0.04 0.15 0.28 -0.63 0.00 0.00 0.00 175.10 174.94 1a9n s ILE 58 N 1.33 5.26 0.09 2.22 1.01 -0.32 -2.06 121.20 128.73 1a9n s ILE 58 Ca -0.02 0.41 0.02 0.00 0.00 0.00 0.00 60.65 61.06 1a9n s ILE 58 Cb -0.17 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1a9n s ILE 58 CO -0.08 0.25 0.12 -0.36 0.00 0.00 0.00 174.94 174.88 1a9n s PHE 59 N 1.52 3.28 -0.02 3.97 0.08 -0.98 -0.07 117.98 125.76 1a9n s PHE 59 Ca 0.12 0.11 -0.24 0.00 0.12 0.00 0.00 56.93 57.05 1a9n s PHE 59 Cb -0.15 -1.65 -0.20 0.00 -0.57 0.00 0.00 43.02 40.46 1a9n s PHE 59 CO 0.08 0.54 1.17 1.57 -0.10 0.00 0.00 175.22 178.48 1a9n h LYS 60 N 3.11 0.18 -5.97 0.44 2.10 -1.83 -3.44 116.57 111.16 1a9n h LYS 60 Ca -0.46 -0.13 -0.59 0.00 -2.00 0.00 0.00 60.65 57.46 1a9n h LYS 60 Cb 1.17 0.02 -0.06 0.00 -0.90 0.00 0.00 32.23 32.46 1a9n h LYS 60 CO 0.68 0.76 -0.16 -1.21 -2.00 0.00 0.00 179.45 177.52 1a9n s GLU 61 N -3.73 4.08 0.10 0.07 0.41 -1.26 -5.00 118.70 113.37 1a9n s GLU 61 Ca -0.15 0.47 -0.15 0.00 -0.41 0.00 0.00 54.97 54.73 1a9n s GLU 61 Cb 0.02 -3.28 -0.08 0.00 -1.78 0.00 0.00 34.13 29.01 1a9n s GLU 61 CO 0.73 0.54 1.44 1.25 -0.49 0.00 0.00 175.26 178.73 1a9n h LEU 62 N 5.23 0.74 -0.83 1.80 5.85 -1.92 -3.04 115.31 123.13 1a9n h LEU 62 Ca -0.48 -0.45 0.12 0.00 0.84 0.00 0.00 57.88 57.91 1a9n h LEU 62 Cb 1.21 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.95 1a9n h LEU 62 CO 0.66 1.03 0.45 1.23 -0.34 0.00 0.00 178.44 181.46 1a9n h GLY 63 N 0.45 1.32 -0.09 3.75 0.00 -1.94 -0.89 103.07 105.67 1a9n h GLY 63 Ca 0.06 -0.28 0.11 0.00 0.00 0.00 0.00 47.33 47.21 1a9n h GLY 63 CO 0.06 0.05 -0.15 1.76 0.00 0.00 0.00 176.54 178.26 1a9n h SER 64 N 0.70 -0.55 0.21 0.19 0.02 -1.79 0.19 113.55 112.53 1a9n h SER 64 Ca 0.43 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.54 1a9n h SER 64 Cb 0.50 0.35 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 1a9n h SER 64 CO -0.30 -0.19 -0.18 -1.28 -1.14 0.00 0.00 176.83 173.74 1a9n h SER 65 N -0.02 -0.48 -0.41 3.07 0.87 -1.17 -0.15 113.55 115.26 1a9n h SER 65 Ca 0.25 0.04 0.07 0.00 -1.23 0.00 0.00 61.79 60.92 1a9n h SER 65 Cb 0.41 0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 62.47 1a9n h SER 65 CO -0.56 -0.28 0.07 0.74 -0.53 0.00 0.00 176.83 176.28 1a9n h THR 66 N -0.41 0.77 -0.87 2.23 2.02 -0.62 -1.07 112.91 114.97 1a9n h THR 66 Ca -0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1a9n h THR 66 Cb 0.37 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 1a9n h THR 66 CO -0.03 0.04 0.56 0.78 0.37 0.00 0.00 175.52 177.23 1a9n h ASN 67 N 0.19 1.02 0.39 4.18 -0.26 -0.34 -2.13 115.58 118.63 1a9n h ASN 67 Ca 0.20 -0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.89 1a9n h ASN 67 Cb 0.25 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.23 1a9n h ASN 67 CO -0.27 0.75 -0.33 0.00 -1.06 0.00 0.00 177.43 176.52 1a9n h ALA 68 N 1.31 -0.74 -0.43 -0.83 0.00 -0.02 -0.72 119.26 117.83 1a9n h ALA 68 Ca 0.32 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.19 1a9n h ALA 68 Cb -0.11 0.45 -0.09 0.00 0.00 0.00 0.00 17.79 18.04 1a9n h ALA 68 CO -0.07 -0.94 -0.26 1.25 0.00 0.00 0.00 179.25 179.24 1a9n h LEU 69 N -0.72 -0.87 -0.19 0.00 5.85 -1.05 0.30 115.31 118.64 1a9n h LEU 69 Ca -0.03 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1a9n h LEU 69 Cb 0.63 0.44 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 1a9n h LEU 69 CO -0.03 -0.27 0.06 0.03 -0.34 0.00 0.00 178.44 177.89 1a9n h ARG 70 N -0.17 0.29 -0.08 1.25 3.08 -1.24 -3.04 114.38 114.47 1a9n h ARG 70 Ca 0.20 -0.06 -0.15 0.00 0.07 0.00 0.00 59.98 60.04 1a9n h ARG 70 Cb 0.49 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1a9n h ARG 70 CO -0.53 0.39 -0.62 1.96 -1.07 0.00 0.00 179.97 180.10 1a9n h GLN 71 N 0.14 0.28 -0.43 0.04 1.08 -0.65 -3.32 115.11 112.25 1a9n h GLN 71 Ca 0.06 -0.20 -0.03 0.00 -1.45 0.00 0.00 58.65 57.04 1a9n h GLN 71 Cb 0.22 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 1a9n h GLN 71 CO -0.00 0.81 0.02 1.28 -0.95 0.00 0.00 178.83 179.99 1a9n n LEU 72 N -3.87 4.79 -4.72 1.46 4.77 0.10 -4.95 117.00 114.59 1a9n n LEU 72 Ca -0.03 -3.04 -0.42 0.00 -0.03 0.00 0.00 56.01 52.49 1a9n n LEU 72 Cb 0.63 -0.62 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1a9n n LEU 72 CO 0.45 0.70 1.13 -1.58 -1.33 0.00 0.00 177.39 176.75 1a9n s GLN 73 N -2.85 4.28 -1.34 3.23 2.00 -1.15 -2.25 119.66 121.58 1a9n s GLN 73 Ca 0.48 2.21 -0.02 0.00 -2.00 0.00 0.00 55.36 56.03 1a9n s GLN 73 Cb 0.38 -3.19 0.00 0.00 0.80 0.00 0.00 33.01 31.01 1a9n s GLN 73 CO 0.11 -0.49 0.30 0.41 -0.50 0.00 0.00 175.29 175.12 1a9n n GLY 74 N 3.35 -0.31 3.70 2.59 0.00 0.91 -4.97 105.19 110.47 1a9n n GLY 74 Ca 0.11 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1a9n n GLY 74 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1a9n s PHE 75 N -2.97 3.59 -0.39 1.61 5.36 -0.95 -4.52 117.98 119.70 1a9n s PHE 75 Ca 0.15 1.57 -0.27 0.00 -0.96 0.00 0.00 56.93 57.41 1a9n s PHE 75 Cb -0.06 -3.08 -0.04 0.00 -0.34 0.00 0.00 43.02 39.49 1a9n s PHE 75 CO 0.18 -0.07 2.13 -2.14 -1.46 0.00 0.00 175.22 173.86 1a9n s PRO 76 N 1.32 2.77 -0.21 10.12 0.02 -1.26 -1.35 135.00 146.41 1a9n s PRO 76 Ca 0.48 1.47 -0.02 0.00 0.02 0.00 0.00 61.00 62.95 1a9n s PRO 76 Cb -0.19 -4.40 0.00 0.00 0.02 0.00 0.00 34.50 29.92 1a9n s PRO 76 CO 0.23 -2.53 -0.09 0.12 -0.33 0.00 0.00 177.00 174.40 1a9n s PHE 77 N 9.36 2.90 -1.53 6.54 5.36 0.77 -4.69 117.98 136.69 1a9n s PHE 77 Ca 0.90 -1.17 -0.08 0.00 -0.96 0.00 0.00 56.93 55.62 1a9n s PHE 77 Cb -0.22 -2.04 0.06 0.00 -0.34 0.00 0.00 43.02 40.48 1a9n s PHE 77 CO 0.30 -0.63 0.57 0.66 -1.46 0.00 0.00 175.22 174.66 1a9n n TYR 78 N 4.74 -1.71 -0.84 10.12 4.01 -1.26 -1.88 117.16 130.33 1a9n n TYR 78 Ca -0.19 0.77 0.00 0.00 -0.16 0.00 0.00 57.90 58.32 1a9n n TYR 78 Cb 0.51 -3.43 0.00 0.00 -0.31 0.00 0.00 39.34 36.11 1a9n n TYR 78 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a9n n GLY 79 N -1.77 0.91 2.93 2.72 0.00 -1.26 -4.75 105.19 103.97 1a9n n GLY 79 Ca -0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 1a9n n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a9n s LYS 80 N -0.16 0.35 -0.22 1.61 1.02 -0.79 -5.08 119.74 116.47 1a9n s LYS 80 Ca 0.00 -0.13 -0.29 0.00 0.02 0.00 0.00 55.97 55.57 1a9n s LYS 80 Cb 0.00 -0.35 -0.02 0.00 -0.52 0.00 0.00 37.83 36.94 1a9n s LYS 80 CO 0.00 0.07 1.47 -1.25 -0.92 0.00 0.00 175.35 174.72 1a9n s PRO 81 N 0.01 3.93 0.36 -1.68 0.04 -1.26 -0.16 135.00 136.23 1a9n s PRO 81 Ca 0.00 1.57 -0.25 0.00 0.04 0.00 0.00 61.00 62.36 1a9n s PRO 81 Cb -0.03 -3.94 -0.09 0.00 0.04 0.00 0.00 34.50 30.48 1a9n s PRO 81 CO -0.00 -1.12 1.04 0.00 0.04 0.00 0.00 177.00 176.96 1a9n s MET 82 N 4.29 4.33 -0.27 4.56 0.23 -0.45 -4.79 119.30 127.20 1a9n s MET 82 Ca 0.64 1.53 -0.08 0.00 -1.03 0.00 0.00 55.69 56.75 1a9n s MET 82 Cb -0.22 -2.71 -0.02 0.00 -1.53 0.00 0.00 34.83 30.35 1a9n s MET 82 CO 0.25 0.01 0.08 0.50 -2.03 0.00 0.00 175.02 173.83 1a9n s ARG 83 N -2.22 3.48 0.09 3.16 3.52 -0.84 -0.06 118.95 126.08 1a9n s ARG 83 Ca 0.54 -0.60 0.06 0.00 -0.13 0.00 0.00 55.73 55.60 1a9n s ARG 83 Cb -0.23 -3.37 -0.04 0.00 -1.56 0.00 0.00 34.95 29.75 1a9n s ARG 83 CO 0.29 -0.28 -0.08 0.42 -0.81 0.00 0.00 175.30 174.85 1a9n s ILE 84 N 1.59 3.53 0.20 4.11 1.01 -1.26 -1.41 121.20 128.98 1a9n s ILE 84 Ca 0.05 -1.15 -0.13 0.00 0.00 0.00 0.00 60.65 59.42 1a9n s ILE 84 Cb -0.16 -2.64 0.01 0.00 0.01 0.00 0.00 42.46 39.68 1a9n s ILE 84 CO 0.04 0.15 0.44 -1.10 0.00 0.00 0.00 174.94 174.46 1a9n s GLN 85 N -2.12 1.37 0.31 2.79 -0.21 -0.42 -4.99 119.66 116.38 1a9n s GLN 85 Ca 0.22 -1.10 -0.19 0.00 0.02 0.00 0.00 55.36 54.31 1a9n s GLN 85 Cb -0.11 0.46 -0.09 0.00 1.00 0.00 0.00 33.01 34.27 1a9n s GLN 85 CO 0.14 -0.56 0.80 0.71 -2.12 0.00 0.00 175.29 174.26 1a9n s TYR 86 N -3.95 3.51 1.01 0.91 2.02 -1.26 0.30 117.35 119.88 1a9n s TYR 86 Ca 0.16 1.44 -0.12 0.00 -0.37 0.00 0.00 57.07 58.18 1a9n s TYR 86 Cb 0.00 -2.68 0.20 0.00 -0.40 0.00 0.00 41.96 39.08 1a9n s TYR 86 CO 0.02 0.16 1.08 0.00 -1.57 0.00 0.00 175.55 175.24 1a9n s ALA 87 N -1.80 0.72 0.03 3.71 0.00 -0.86 -4.55 121.76 119.02 1a9n s ALA 87 Ca 0.51 -0.10 -0.02 0.00 0.00 0.00 0.00 51.96 52.35 1a9n s ALA 87 Cb -0.14 -3.21 -0.27 0.00 0.00 0.00 0.00 23.12 19.50 1a9n s ALA 87 CO 0.19 -3.01 0.97 0.87 0.00 0.00 0.00 175.76 174.77 1a9n h LYS 88 N -2.03 0.22 -5.31 0.00 1.57 -1.96 -3.47 116.57 105.59 1a9n h LYS 88 Ca -0.54 -0.37 -0.67 0.00 -1.87 0.00 0.00 60.65 57.20 1a9n h LYS 88 Cb 1.31 0.14 -0.13 0.00 0.08 0.00 0.00 32.23 33.63 1a9n h LYS 88 CO 0.53 1.10 -0.52 0.95 -0.57 0.00 0.00 179.45 180.94 1a9n s THR 89 N -2.64 1.32 0.04 -0.16 -4.23 -1.26 -5.05 115.64 103.67 1a9n s THR 89 Ca -0.06 -1.97 -0.17 0.00 -1.18 0.00 0.00 61.69 58.31 1a9n s THR 89 Cb 0.07 -2.29 -0.06 0.00 1.34 0.00 0.00 72.50 71.56 1a9n s THR 89 CO 0.86 0.00 0.49 -1.81 -0.54 0.00 0.00 174.62 173.62 1a9n s ASP 90 N -3.87 6.93 0.33 3.99 1.11 -1.26 -4.92 116.67 118.97 1a9n s ASP 90 Ca 0.12 1.11 -0.28 0.00 0.18 0.00 0.00 52.55 53.67 1a9n s ASP 90 Cb 0.03 -2.30 -0.09 0.00 1.07 0.00 0.00 42.92 41.62 1a9n s ASP 90 CO 0.06 0.29 1.14 -0.44 1.18 0.00 0.00 175.17 177.40 1a9n s SER 91 N -1.14 6.97 0.23 0.27 0.01 -1.26 -4.88 113.70 113.89 1a9n s SER 91 Ca 0.27 2.33 -0.14 0.00 1.31 0.00 0.00 55.95 59.72 1a9n s SER 91 Cb -0.18 -2.62 0.27 0.00 0.21 0.00 0.00 66.02 63.70 1a9n s SER 91 CO 0.16 -0.36 1.59 0.44 0.41 0.00 0.00 173.24 175.49 1a9n h ASP 92 N 3.35 -0.92 -0.67 2.44 3.32 -1.99 0.12 116.42 122.08 1a9n h ASP 92 Ca -0.48 0.24 0.06 0.00 0.02 0.00 0.00 57.03 56.88 1a9n h ASP 92 Cb 1.22 0.54 -0.04 0.00 0.22 0.00 0.00 39.33 41.27 1a9n h ASP 92 CO 0.65 -0.28 0.44 0.40 -1.72 0.00 0.00 179.24 178.74 1a9n h ILE 93 N -0.04 1.01 0.05 0.35 5.03 -1.98 -0.84 117.51 121.10 1a9n h ILE 93 Ca 0.34 -0.23 -0.00 0.00 -0.12 0.00 0.00 64.86 64.84 1a9n h ILE 93 Cb 0.57 0.27 0.00 0.00 -3.03 0.00 0.00 36.82 34.63 1a9n h ILE 93 CO -0.80 0.12 -0.03 0.40 -0.68 0.00 0.00 178.15 177.17 1a9n h ILE 94 N 0.68 1.13 -0.90 -0.67 1.08 -1.17 0.36 117.51 118.03 1a9n h ILE 94 Ca 0.29 -0.61 0.17 0.00 -0.39 0.00 0.00 64.86 64.32 1a9n h ILE 94 Cb 0.26 1.53 -0.07 0.00 -3.07 0.00 0.00 36.82 35.48 1a9n h ILE 94 CO -0.09 0.15 0.58 0.28 -0.69 0.00 0.00 178.15 178.39 1a9n h SER 95 N -0.35 0.57 1.37 1.72 0.02 -0.45 0.26 113.55 116.71 1a9n h SER 95 Ca -0.01 0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 1a9n h SER 95 Cb 0.31 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1a9n h SER 95 CO 0.01 0.26 -0.64 0.11 -1.14 0.00 0.00 176.83 175.43 1a9n h LYS 96 N 0.59 0.00 0.02 3.45 1.57 -1.03 -3.28 116.57 117.89 1a9n h LYS 96 Ca 0.47 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 59.04 1a9n h LYS 96 Cb 0.90 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 1a9n h LYS 96 CO -0.21 0.15 -0.99 1.98 -0.57 0.00 0.00 179.45 179.81 1a9n h MET 97 N 0.00 0.08 -0.00 3.15 4.05 0.14 -3.51 114.93 118.84 1a9n h MET 97 Ca -0.03 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 59.28 1a9n h MET 97 Cb 1.17 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.01 1a9n h MET 97 CO 0.02 0.99 0.00 0.54 0.23 0.00 0.00 176.91 178.69