#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 2.67 0.33 0.38 0.52 -1.26 -4.90 118.95 116.69 1a9n s ARG 7 Ca 0.00 1.32 -0.26 0.00 -0.52 0.00 0.00 55.73 56.27 1a9n s ARG 7 Cb 0.00 -1.94 -0.14 0.00 0.52 0.00 0.00 34.95 33.40 1a9n s ARG 7 CO 0.00 -1.34 0.81 -2.30 0.02 0.00 0.00 175.30 172.49 1a9n n PRO 8 N -2.72 0.94 -3.94 3.54 -0.02 -1.26 -4.84 135.00 126.70 1a9n n PRO 8 Ca 0.10 0.33 -0.09 0.00 -2.02 0.00 0.00 63.50 61.82 1a9n n PRO 8 Cb 0.52 -1.66 -0.09 0.00 -0.02 0.00 0.00 33.50 32.25 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 -0.76 0.20 0.44 2.55 3.84 -1.26 -5.03 114.94 114.92 1a9n s ASN 9 Ca 0.61 -0.55 0.19 0.00 0.21 0.00 0.00 52.86 53.32 1a9n s ASN 9 Cb -0.68 0.22 1.02 0.00 -0.55 0.00 0.00 41.25 41.25 1a9n s ASN 9 CO 0.58 -0.50 1.93 0.45 -2.79 0.00 0.00 177.10 176.77 1a9n h HIS 10 N 3.71 0.00 -3.20 0.43 3.86 -1.90 -3.43 115.15 114.63 1a9n h HIS 10 Ca -0.33 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.23 1a9n h HIS 10 Cb 1.18 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.51 1a9n h HIS 10 CO 0.55 0.25 -0.59 0.99 0.86 0.00 0.00 177.93 179.99 1a9n s THR 11 N -4.18 4.58 0.04 2.45 2.01 -1.26 -1.89 115.64 117.39 1a9n s THR 11 Ca -0.03 -0.13 0.05 0.00 0.31 0.00 0.00 61.69 61.89 1a9n s THR 11 Cb 0.14 -2.98 -0.03 0.00 0.01 0.00 0.00 72.50 69.63 1a9n s THR 11 CO 0.67 0.56 -0.09 0.27 -0.69 0.00 0.00 174.62 175.33 1a9n s ILE 12 N -0.48 3.42 -0.23 1.82 -4.36 -0.51 -2.09 121.20 118.77 1a9n s ILE 12 Ca 0.09 -0.98 -0.06 0.00 -0.26 0.00 0.00 60.65 59.45 1a9n s ILE 12 Cb -0.12 -2.51 -0.02 0.00 1.25 0.00 0.00 42.46 41.06 1a9n s ILE 12 CO 0.02 0.31 0.02 -0.47 0.24 0.00 0.00 174.94 175.06 1a9n s TYR 13 N -1.04 3.04 -0.07 1.37 5.04 0.94 -0.87 117.35 125.75 1a9n s TYR 13 Ca 0.18 -0.55 0.02 0.00 -2.44 0.00 0.00 57.07 54.27 1a9n s TYR 13 Cb -0.11 -2.16 -0.03 0.00 0.35 0.00 0.00 41.96 40.01 1a9n s TYR 13 CO 0.09 -0.37 -0.11 0.42 -1.34 0.00 0.00 175.55 174.24 1a9n s ILE 14 N 1.41 3.33 0.25 3.14 1.01 0.27 -1.27 121.20 129.33 1a9n s ILE 14 Ca 0.05 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.10 1a9n s ILE 14 Cb -0.15 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 1a9n s ILE 14 CO 0.01 0.58 0.20 0.54 0.00 0.00 0.00 174.94 176.27 1a9n s ASN 15 N -0.53 0.63 -0.32 3.58 2.20 -0.30 -1.65 114.94 118.54 1a9n s ASN 15 Ca 0.08 -1.49 0.00 0.00 -0.94 0.00 0.00 52.86 50.50 1a9n s ASN 15 Cb -0.12 0.45 0.00 0.00 -2.00 0.00 0.00 41.25 39.58 1a9n s ASN 15 CO 0.02 -0.93 0.00 -3.20 -2.94 0.00 0.00 177.10 170.05 1a9n n ASN 16 N -0.70 -2.12 -4.87 3.54 5.15 -1.03 -2.18 115.26 113.05 1a9n n ASN 16 Ca 0.04 0.01 -0.34 0.00 -0.60 0.00 0.00 54.58 53.69 1a9n n ASN 16 Cb 0.65 -1.27 -0.05 0.00 -0.53 0.00 0.00 39.78 38.58 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 -3.86 3.81 -0.28 1.20 -1.94 -0.71 -4.60 119.30 112.92 1a9n s MET 17 Ca 0.00 0.25 -0.28 0.00 -1.71 0.00 0.00 55.69 53.94 1a9n s MET 17 Cb 0.00 -2.87 -0.03 0.00 2.01 0.00 0.00 34.83 33.94 1a9n s MET 17 CO 0.00 0.47 1.92 1.21 -0.01 0.00 0.00 175.02 178.60 1a9n s ASN 18 N -1.99 5.80 0.00 3.03 3.84 -1.26 -4.51 114.94 119.85 1a9n s ASN 18 Ca 0.39 1.53 0.07 0.00 0.21 0.00 0.00 52.86 55.06 1a9n s ASN 18 Cb -0.13 -2.52 0.43 0.00 -0.55 0.00 0.00 41.25 38.48 1a9n s ASN 18 CO 0.20 -1.74 1.25 -0.90 -2.79 0.00 0.00 177.10 173.12 1a9n n ASP 19 N 10.53 0.00 0.04 -4.21 5.68 -1.26 -3.60 116.55 123.72 1a9n n ASP 19 Ca 0.25 -1.72 0.12 0.00 -0.50 0.00 0.00 54.79 52.94 1a9n n ASP 19 Cb 0.46 0.00 0.26 0.00 -1.14 0.00 0.00 41.12 40.70 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 -0.62 0.18 -2.41 0.11 5.02 -1.26 -4.86 118.16 114.32 1a9n n LYS 20 Ca 0.05 0.06 -0.41 0.00 -2.02 0.00 0.00 58.31 56.00 1a9n n LYS 20 Cb 0.02 -1.63 -0.04 0.00 -0.02 0.00 0.00 35.03 33.37 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 -3.10 3.46 0.55 -0.18 -1.09 -1.24 -4.98 121.20 114.63 1a9n s ILE 21 Ca 0.09 1.37 -0.20 0.00 -2.23 0.00 0.00 60.65 59.68 1a9n s ILE 21 Cb 0.15 -3.88 -0.05 0.00 -1.58 0.00 0.00 42.46 37.11 1a9n s ILE 21 CO 0.69 0.29 1.23 -0.54 -1.23 0.00 0.00 174.94 175.37 1a9n s LYS 22 N -1.04 3.19 0.23 2.79 1.02 -1.26 -4.77 119.74 119.90 1a9n s LYS 22 Ca 0.48 1.90 -0.07 0.00 0.02 0.00 0.00 55.97 58.30 1a9n s LYS 22 Cb -0.33 -2.10 0.41 0.00 -0.52 0.00 0.00 37.83 35.29 1a9n s LYS 22 CO 0.40 -1.05 1.68 -0.22 -0.92 0.00 0.00 175.35 175.25 1a9n h LYS 23 N 1.27 0.24 0.00 1.68 3.64 -1.96 -0.65 116.57 120.79 1a9n h LYS 23 Ca -0.50 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 58.76 1a9n h LYS 23 Cb 1.29 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1a9n h LYS 23 CO 0.57 0.16 -0.47 0.93 -2.27 0.00 0.00 179.45 178.37 1a9n h GLU 24 N 0.25 0.00 0.08 1.90 4.39 -1.98 -1.82 114.58 117.39 1a9n h GLU 24 Ca 0.39 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.83 1a9n h GLU 24 Cb 0.64 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.32 1a9n h GLU 24 CO -0.50 0.47 -1.06 1.49 -1.16 0.00 0.00 179.01 178.25 1a9n h GLU 25 N 0.00 0.58 -0.07 2.33 4.81 -1.81 -2.33 114.58 118.10 1a9n h GLU 25 Ca -0.00 -0.73 0.00 0.00 -0.13 0.00 0.00 59.36 58.50 1a9n h GLU 25 Cb 0.94 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1a9n h GLU 25 CO 0.06 1.31 0.03 1.25 -0.73 0.00 0.00 179.01 180.94 1a9n h LEU 26 N 0.18 0.05 -0.78 1.64 5.85 -0.99 -0.65 115.31 120.62 1a9n h LEU 26 Ca -0.15 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1a9n h LEU 26 Cb 1.75 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.73 1a9n h LEU 26 CO 0.20 0.04 0.44 0.11 -0.34 0.00 0.00 178.44 178.90 1a9n h LYS 27 N 0.08 1.07 -0.10 1.25 1.57 -1.40 -0.02 116.57 119.01 1a9n h LYS 27 Ca 0.03 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.58 1a9n h LYS 27 Cb 0.00 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 1a9n h LYS 27 CO -0.02 0.77 -0.45 -0.09 -0.57 0.00 0.00 179.45 179.10 1a9n h ARG 28 N 1.07 0.23 -0.02 3.15 2.43 -1.00 -0.76 114.38 119.48 1a9n h ARG 28 Ca 0.28 -0.12 -0.21 0.00 -0.81 0.00 0.00 59.98 59.11 1a9n h ARG 28 Cb 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1a9n h ARG 28 CO -0.05 0.64 -0.88 0.77 -1.51 0.00 0.00 179.97 178.94 1a9n h SER 29 N 0.19 0.50 -0.48 -3.80 0.02 -0.83 -2.49 113.55 106.65 1a9n h SER 29 Ca 0.01 -0.38 -0.02 0.00 -0.84 0.00 0.00 61.79 60.56 1a9n h SER 29 Cb 0.87 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 1a9n h SER 29 CO 0.07 1.17 0.22 -0.07 -1.14 0.00 0.00 176.83 177.08 1a9n h LEU 30 N 0.23 0.64 -0.49 5.07 3.38 -0.77 0.54 115.31 123.92 1a9n h LEU 30 Ca -0.06 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1a9n h LEU 30 Cb 1.50 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 1a9n h LEU 30 CO 0.15 0.60 0.30 0.22 0.09 0.00 0.00 178.44 179.80 1a9n h TYR 31 N 0.64 0.65 0.85 1.13 3.20 -1.08 -1.63 116.97 120.73 1a9n h TYR 31 Ca 0.16 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 1a9n h TYR 31 Cb 0.14 -0.21 0.01 0.00 1.54 0.00 0.00 36.73 38.20 1a9n h TYR 31 CO -0.01 0.45 -0.41 0.00 -1.64 0.00 0.00 178.16 176.56 1a9n h ALA 32 N 1.14 -1.14 -0.54 1.82 0.00 -1.04 -2.06 119.26 117.44 1a9n h ALA 32 Ca 0.18 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 54.94 1a9n h ALA 32 Cb -0.01 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 18.12 1a9n h ALA 32 CO -0.03 -1.07 -0.11 1.25 0.00 0.00 0.00 179.25 179.29 1a9n h LEU 33 N -1.28 -0.45 0.00 0.00 5.85 -0.86 -2.43 115.31 116.13 1a9n h LEU 33 Ca -0.12 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1a9n h LEU 33 Cb 0.88 0.32 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1a9n h LEU 33 CO 0.19 -0.16 0.00 0.49 -0.34 0.00 0.00 178.44 178.62 1a9n n PHE 34 N -5.36 0.00 0.24 1.25 3.72 -0.62 -3.63 117.46 113.06 1a9n n PHE 34 Ca 0.06 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.57 1a9n n PHE 34 Cb 0.29 -0.31 0.55 0.00 -0.94 0.00 0.00 39.48 39.07 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 0.09 4.37 4.64 -0.84 -2.95 113.55 118.86 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 0.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1a9n h SER 35 CO 0.00 0.19 -0.02 0.06 -0.87 0.00 0.00 176.83 176.19 1a9n h GLN 36 N 0.00 0.00 0.00 4.77 3.07 -1.72 -3.01 115.11 118.22 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 0.62 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.18 1a9n h GLN 36 CO 0.02 0.02 -1.21 1.19 0.09 0.00 0.00 178.83 178.95 1a9n n PHE 37 N -3.62 0.07 0.00 0.06 3.72 -1.11 -5.06 117.46 111.52 1a9n n PHE 37 Ca -0.03 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1a9n n PHE 37 Cb 0.11 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.40 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 1.41 2.01 3.69 1.37 0.00 -1.14 -4.52 105.19 108.00 1a9n n GLY 38 Ca 0.02 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.99 2.29 -0.29 1.61 2.46 -1.26 -4.43 115.29 113.67 1a9n s HIS 39 Ca 0.00 0.17 -0.19 0.00 0.47 0.00 0.00 55.06 55.51 1a9n s HIS 39 Cb 0.00 -4.06 -0.02 0.00 -0.13 0.00 0.00 32.58 28.38 1a9n s HIS 39 CO 0.00 -4.30 0.55 0.08 -2.47 0.00 0.00 174.74 168.61 1a9n s VAL 40 N 2.71 5.02 0.08 0.89 1.01 -1.26 -2.04 120.40 126.80 1a9n s VAL 40 Ca 0.77 0.80 -0.15 0.00 0.00 0.00 0.00 61.98 63.40 1a9n s VAL 40 Cb -0.42 -3.90 -0.18 0.00 0.00 0.00 0.00 36.38 31.87 1a9n s VAL 40 CO 0.34 -0.03 1.25 0.58 0.00 0.00 0.00 175.10 177.24 1a9n h VAL 41 N 5.48 1.31 -2.29 2.92 2.07 -0.33 -3.48 116.25 121.93 1a9n h VAL 41 Ca -0.28 -2.01 0.13 0.00 0.82 0.00 0.00 66.70 65.36 1a9n h VAL 41 Cb 1.13 2.16 -0.13 0.00 -1.52 0.00 0.00 31.29 32.93 1a9n h VAL 41 CO 0.75 0.62 0.50 -0.62 0.02 0.00 0.00 177.57 178.84 1a9n s ASP 42 N -7.04 -0.31 -0.07 0.57 2.15 -1.19 -5.04 116.67 105.75 1a9n s ASP 42 Ca -0.11 -0.11 0.01 0.00 0.43 0.00 0.00 52.55 52.77 1a9n s ASP 42 Cb 0.07 0.41 0.02 0.00 -0.30 0.00 0.00 42.92 43.12 1a9n s ASP 42 CO 0.89 -0.69 -0.06 -0.63 -0.17 0.00 0.00 175.17 174.50 1a9n s ILE 43 N -3.16 0.76 -0.24 4.11 1.01 -1.26 -1.51 121.20 120.92 1a9n s ILE 43 Ca 0.07 -0.20 -0.04 0.00 0.00 0.00 0.00 60.65 60.47 1a9n s ILE 43 Cb -0.01 -0.77 -0.01 0.00 0.01 0.00 0.00 42.46 41.68 1a9n s ILE 43 CO -0.06 0.29 -0.01 -0.69 0.00 0.00 0.00 174.94 174.47 1a9n s VAL 44 N 1.21 3.53 -0.17 2.92 1.01 -0.46 -4.95 120.40 123.49 1a9n s VAL 44 Ca -0.06 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 61.33 1a9n s VAL 44 Cb -0.14 -2.66 0.06 0.00 0.00 0.00 0.00 36.38 33.65 1a9n s VAL 44 CO -0.02 0.35 0.39 0.00 0.00 0.00 0.00 175.10 175.83 1a9n s ALA 45 N 1.49 -1.00 0.25 5.51 0.00 -1.26 -0.82 121.76 125.93 1a9n s ALA 45 Ca 0.05 1.46 0.10 0.00 0.00 0.00 0.00 51.96 53.56 1a9n s ALA 45 Cb -0.15 -0.96 -0.05 0.00 0.00 0.00 0.00 23.12 21.96 1a9n s ALA 45 CO -0.02 -0.34 -0.16 -0.51 0.00 0.00 0.00 175.76 174.73 1a9n s LEU 46 N 1.60 2.58 -0.04 0.00 1.02 -1.26 -5.06 118.68 117.52 1a9n s LEU 46 Ca -0.08 -1.04 0.15 0.00 0.02 0.00 0.00 54.13 53.17 1a9n s LEU 46 Cb -0.09 -0.89 0.46 0.00 0.02 0.00 0.00 46.19 45.69 1a9n s LEU 46 CO -0.12 -0.08 1.39 0.29 0.02 0.00 0.00 176.35 177.84 1a9n n LYS 47 N -0.53 2.99 -0.58 1.70 4.76 -1.26 -3.30 118.16 121.94 1a9n n LYS 47 Ca -0.06 -2.40 -0.30 0.00 -2.87 0.00 0.00 58.31 52.67 1a9n n LYS 47 Cb 0.61 -1.50 0.21 0.00 -1.84 0.00 0.00 35.03 32.51 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 0.66 0.00 0.22 -0.18 -2.24 -1.26 -4.35 114.28 107.13 1a9n n THR 48 Ca 0.17 -0.37 -0.15 0.00 -2.27 0.00 0.00 64.05 61.43 1a9n n THR 48 Cb 0.60 -0.78 -0.08 0.00 -2.10 0.00 0.00 70.33 67.96 1a9n n THR 48 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1a9n h MET 49 N -2.37 -0.47 -0.20 -0.78 4.05 -1.97 0.82 114.93 114.01 1a9n h MET 49 Ca -0.58 0.03 0.05 0.00 -0.28 0.00 0.00 59.70 58.93 1a9n h MET 49 Cb 1.35 0.11 -0.07 0.00 -0.80 0.00 0.00 31.60 32.18 1a9n h MET 49 CO 0.43 -0.29 -0.38 -0.22 0.23 0.00 0.00 176.91 176.68 1a9n h LYS 50 N -0.53 -0.40 0.00 0.39 3.64 -1.98 -3.20 116.57 114.50 1a9n h LYS 50 Ca -0.05 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1a9n h LYS 50 Cb 0.40 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1a9n h LYS 50 CO 0.08 -0.26 -0.49 -1.33 -2.27 0.00 0.00 179.45 175.18 1a9n n MET 51 N -5.42 0.17 -1.50 1.90 2.81 -1.18 -4.97 117.12 108.93 1a9n n MET 51 Ca -0.03 0.06 -0.39 0.00 -1.81 0.00 0.00 57.70 55.53 1a9n n MET 51 Cb 0.35 -1.62 0.03 0.00 -0.71 0.00 0.00 33.22 31.27 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 -1.87 0.65 -1.01 0.03 1.85 0.27 -2.91 116.66 113.67 1a9n n ARG 52 Ca 0.04 0.25 -0.00 0.00 -1.00 0.00 0.00 57.85 57.14 1a9n n ARG 52 Cb 0.40 -1.76 -0.00 0.00 -1.05 0.00 0.00 32.46 30.05 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 1.66 0.42 3.27 2.89 0.00 -1.26 -4.97 105.19 107.20 1a9n n GLY 53 Ca 0.12 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.63 1.12 -0.07 1.61 -0.21 -1.15 -1.73 119.66 118.60 1a9n s GLN 54 Ca 0.00 -1.49 -0.30 0.00 0.02 0.00 0.00 55.36 53.59 1a9n s GLN 54 Cb 0.00 -0.66 0.09 0.00 1.00 0.00 0.00 33.01 33.44 1a9n s GLN 54 CO 0.00 0.06 0.78 0.00 -2.12 0.00 0.00 175.29 174.01 1a9n s ALA 55 N -3.32 -1.81 -0.19 6.09 0.00 -0.66 -4.44 121.76 117.44 1a9n s ALA 55 Ca 0.19 1.32 -0.03 0.00 0.00 0.00 0.00 51.96 53.44 1a9n s ALA 55 Cb 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 1a9n s ALA 55 CO 0.02 -0.40 -0.06 -0.06 0.00 0.00 0.00 175.76 175.27 1a9n s PHE 56 N -1.44 2.95 -0.18 0.00 0.40 -0.00 -0.56 117.98 119.14 1a9n s PHE 56 Ca -0.07 -0.69 -0.02 0.00 -0.60 0.00 0.00 56.93 55.55 1a9n s PHE 56 Cb -0.00 -2.02 -0.01 0.00 0.51 0.00 0.00 43.02 41.50 1a9n s PHE 56 CO 0.05 -0.34 -0.09 0.08 0.70 0.00 0.00 175.22 175.62 1a9n s VAL 57 N 0.96 3.14 -0.22 -0.44 1.01 -0.05 -1.36 120.40 123.45 1a9n s VAL 57 Ca -0.00 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 1a9n s VAL 57 Cb -0.15 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 1a9n s VAL 57 CO 0.01 0.47 0.06 -0.63 0.00 0.00 0.00 175.10 175.01 1a9n s ILE 58 N 1.05 4.46 0.07 2.22 1.01 -0.57 -1.43 121.20 128.02 1a9n s ILE 58 Ca -0.00 -0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.57 1a9n s ILE 58 Cb -0.15 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 1a9n s ILE 58 CO -0.01 0.39 -0.06 -0.36 0.00 0.00 0.00 174.94 174.90 1a9n s PHE 59 N 1.06 2.86 0.07 3.97 0.08 -0.79 0.44 117.98 125.67 1a9n s PHE 59 Ca 0.04 -0.08 -0.25 0.00 0.12 0.00 0.00 56.93 56.76 1a9n s PHE 59 Cb -0.14 -1.51 -0.16 0.00 -0.57 0.00 0.00 43.02 40.63 1a9n s PHE 59 CO 0.03 0.43 1.66 1.57 -0.10 0.00 0.00 175.22 178.81 1a9n h LYS 60 N 3.80 -0.15 -5.90 0.44 2.10 -1.74 -3.43 116.57 111.70 1a9n h LYS 60 Ca -0.48 0.01 -0.63 0.00 -2.00 0.00 0.00 60.65 57.55 1a9n h LYS 60 Cb 1.17 0.03 -0.06 0.00 -0.90 0.00 0.00 32.23 32.47 1a9n h LYS 60 CO 0.55 -0.04 -0.29 -1.21 -2.00 0.00 0.00 179.45 176.45 1a9n s GLU 61 N -5.93 3.75 0.12 0.07 0.41 -1.26 -4.99 118.70 110.87 1a9n s GLU 61 Ca -0.14 0.22 -0.12 0.00 -0.41 0.00 0.00 54.97 54.52 1a9n s GLU 61 Cb 0.05 -3.19 -0.10 0.00 -1.78 0.00 0.00 34.13 29.11 1a9n s GLU 61 CO 0.65 0.71 1.39 1.25 -0.49 0.00 0.00 175.26 178.77 1a9n h LEU 62 N 4.71 0.97 -1.43 1.80 5.85 -1.92 -3.00 115.31 122.30 1a9n h LEU 62 Ca -0.52 -0.54 0.03 0.00 0.84 0.00 0.00 57.88 57.69 1a9n h LEU 62 Cb 1.22 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 1a9n h LEU 62 CO 0.61 1.33 0.42 1.23 -0.34 0.00 0.00 178.44 181.69 1a9n h GLY 63 N 0.65 0.85 1.01 3.75 0.00 -1.95 -1.26 103.07 106.12 1a9n h GLY 63 Ca 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1a9n h GLY 63 CO 0.12 0.26 0.39 1.76 0.00 0.00 0.00 176.54 179.07 1a9n h SER 64 N 0.75 0.94 -0.35 0.19 0.02 -1.76 -1.13 113.55 112.22 1a9n h SER 64 Ca 0.25 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1a9n h SER 64 Cb 0.07 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1a9n h SER 64 CO -0.07 0.78 0.14 -1.28 -1.14 0.00 0.00 176.83 175.26 1a9n h SER 65 N 1.03 0.48 -0.55 3.07 0.87 -1.20 -1.70 113.55 115.54 1a9n h SER 65 Ca 0.26 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1a9n h SER 65 Cb 0.06 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 1a9n h SER 65 CO -0.04 0.51 0.23 0.74 -0.53 0.00 0.00 176.83 177.74 1a9n h THR 66 N 0.42 1.22 -0.65 2.23 2.02 -1.18 -0.90 112.91 116.06 1a9n h THR 66 Ca 0.12 -0.66 -0.04 0.00 0.77 0.00 0.00 66.41 66.60 1a9n h THR 66 Cb 0.18 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 1a9n h THR 66 CO -0.01 0.26 0.26 0.78 0.37 0.00 0.00 175.52 177.18 1a9n h ASN 67 N 0.74 0.90 0.37 4.18 2.35 -1.08 -2.50 115.58 120.54 1a9n h ASN 67 Ca 0.18 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 1a9n h ASN 67 Cb 0.18 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1a9n h ASN 67 CO -0.02 0.82 -0.18 0.00 -1.65 0.00 0.00 177.43 176.41 1a9n h ALA 68 N 1.11 -0.50 -0.51 -0.83 0.00 -1.12 -0.99 119.26 116.41 1a9n h ALA 68 Ca 0.22 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1a9n h ALA 68 Cb 0.20 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.10 1a9n h ALA 68 CO -0.02 -0.78 -0.04 1.25 0.00 0.00 0.00 179.25 179.66 1a9n h LEU 69 N -0.50 -0.30 -0.26 0.00 5.85 -0.97 -0.73 115.31 118.40 1a9n h LEU 69 Ca -0.05 0.13 -0.14 0.00 0.84 0.00 0.00 57.88 58.66 1a9n h LEU 69 Cb 0.39 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 1a9n h LEU 69 CO 0.08 -0.11 -0.39 0.03 -0.34 0.00 0.00 178.44 177.72 1a9n h ARG 70 N 0.08 0.72 0.00 1.25 3.08 -1.37 -3.13 114.38 115.00 1a9n h ARG 70 Ca 0.26 -0.43 -0.17 0.00 0.07 0.00 0.00 59.98 59.71 1a9n h ARG 70 Cb 0.40 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1a9n h ARG 70 CO -0.46 1.05 -0.82 1.96 -1.07 0.00 0.00 179.97 180.63 1a9n h GLN 71 N 0.45 0.00 -0.46 0.04 1.08 -0.91 -3.32 115.11 111.99 1a9n h GLN 71 Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1a9n h GLN 71 Cb 0.98 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.41 1a9n h GLN 71 CO 0.09 0.82 0.00 1.28 -0.95 0.00 0.00 178.83 180.07 1a9n n LEU 72 N -3.46 4.45 -4.68 1.46 4.77 -0.30 -4.93 117.00 114.31 1a9n n LEU 72 Ca -0.00 -2.69 -0.42 0.00 -0.03 0.00 0.00 56.01 52.87 1a9n n LEU 72 Cb 0.82 -0.54 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 1a9n n LEU 72 CO 0.45 0.72 1.43 -1.58 -1.33 0.00 0.00 177.39 177.07 1a9n s GLN 73 N -2.27 4.17 -0.87 3.23 2.00 -1.18 -2.18 119.66 122.56 1a9n s GLN 73 Ca 0.45 2.42 0.00 0.00 -2.00 0.00 0.00 55.36 56.23 1a9n s GLN 73 Cb 0.33 -3.79 0.00 0.00 0.80 0.00 0.00 33.01 30.34 1a9n s GLN 73 CO 0.16 -0.83 0.00 0.41 -0.50 0.00 0.00 175.29 174.54 1a9n n GLY 74 N 4.19 0.82 3.72 2.59 0.00 0.39 -4.98 105.19 111.92 1a9n n GLY 74 Ca 0.17 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.34 3.41 -0.08 1.61 5.36 -0.93 -4.35 117.98 120.67 1a9n s PHE 75 Ca 0.00 1.29 -0.30 0.00 -0.96 0.00 0.00 56.93 56.97 1a9n s PHE 75 Cb 0.00 -3.46 -0.05 0.00 -0.34 0.00 0.00 43.02 39.17 1a9n s PHE 75 CO 0.00 -1.40 1.61 -2.14 -1.46 0.00 0.00 175.22 171.83 1a9n s PRO 76 N 0.65 4.15 -0.13 10.12 0.02 -1.26 -0.86 135.00 147.70 1a9n s PRO 76 Ca 0.58 2.09 -0.01 0.00 0.02 0.00 0.00 61.00 63.68 1a9n s PRO 76 Cb -0.31 -3.97 0.04 0.00 0.02 0.00 0.00 34.50 30.27 1a9n s PRO 76 CO 0.32 -0.87 -0.03 0.12 -0.33 0.00 0.00 177.00 176.21 1a9n s PHE 77 N 4.08 1.21 -1.37 6.54 5.36 0.12 -4.76 117.98 129.16 1a9n s PHE 77 Ca 0.71 -0.66 -0.01 0.00 -0.96 0.00 0.00 56.93 56.01 1a9n s PHE 77 Cb -0.31 -1.08 0.01 0.00 -0.34 0.00 0.00 43.02 41.29 1a9n s PHE 77 CO 0.28 -0.50 0.58 0.66 -1.46 0.00 0.00 175.22 174.79 1a9n n TYR 78 N 5.01 -1.80 0.00 10.12 4.01 -1.26 -1.92 117.16 131.31 1a9n n TYR 78 Ca -0.10 0.80 0.00 0.00 -0.16 0.00 0.00 57.90 58.44 1a9n n TYR 78 Cb 0.49 -4.07 0.00 0.00 -0.31 0.00 0.00 39.34 35.45 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 -1.76 3.07 3.41 2.72 0.00 -1.26 -4.74 105.19 106.64 1a9n n GLY 79 Ca -0.29 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 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 1.49 -0.37 1.61 1.02 -0.81 -5.03 119.74 117.49 1a9n s LYS 80 Ca 0.00 -1.44 -0.29 0.00 0.02 0.00 0.00 55.97 54.26 1a9n s LYS 80 Cb 0.00 -1.88 0.01 0.00 -0.52 0.00 0.00 37.83 35.44 1a9n s LYS 80 CO 0.00 0.42 1.34 -1.25 -0.92 0.00 0.00 175.35 174.95 1a9n s PRO 81 N -2.42 3.73 0.47 -1.68 0.04 -1.26 0.11 135.00 133.99 1a9n s PRO 81 Ca 0.18 1.04 -0.21 0.00 0.04 0.00 0.00 61.00 62.04 1a9n s PRO 81 Cb -0.09 -3.95 -0.08 0.00 0.04 0.00 0.00 34.50 30.42 1a9n s PRO 81 CO 0.08 -1.36 1.08 0.00 0.04 0.00 0.00 177.00 176.84 1a9n s MET 82 N 4.57 3.78 -0.17 4.56 0.23 -0.04 -4.79 119.30 127.45 1a9n s MET 82 Ca 0.58 1.51 -0.02 0.00 -1.03 0.00 0.00 55.69 56.73 1a9n s MET 82 Cb -0.14 -2.22 -0.01 0.00 -1.53 0.00 0.00 34.83 30.92 1a9n s MET 82 CO 0.29 -0.47 -0.09 0.50 -2.03 0.00 0.00 175.02 173.22 1a9n s ARG 83 N -3.00 3.39 0.09 3.16 3.52 -0.93 -0.46 118.95 124.72 1a9n s ARG 83 Ca 0.66 -0.65 0.08 0.00 -0.13 0.00 0.00 55.73 55.68 1a9n s ARG 83 Cb -0.21 -2.82 -0.04 0.00 -1.56 0.00 0.00 34.95 30.32 1a9n s ARG 83 CO 0.25 0.02 -0.15 0.42 -0.81 0.00 0.00 175.30 175.03 1a9n s ILE 84 N 0.88 3.06 0.15 4.11 1.01 -1.26 -1.15 121.20 128.00 1a9n s ILE 84 Ca -0.02 -1.32 -0.17 0.00 0.00 0.00 0.00 60.65 59.14 1a9n s ILE 84 Cb -0.15 -2.39 0.04 0.00 0.01 0.00 0.00 42.46 39.97 1a9n s ILE 84 CO 0.00 0.17 0.47 -1.10 0.00 0.00 0.00 174.94 174.48 1a9n s GLN 85 N -1.98 1.20 0.28 2.79 -0.21 -0.40 -4.99 119.66 116.35 1a9n s GLN 85 Ca 0.18 -0.74 -0.29 0.00 0.02 0.00 0.00 55.36 54.54 1a9n s GLN 85 Cb -0.11 0.50 -0.09 0.00 1.00 0.00 0.00 33.01 34.31 1a9n s GLN 85 CO 0.10 -0.49 1.03 0.71 -2.12 0.00 0.00 175.29 174.51 1a9n s TYR 86 N -3.82 3.71 0.66 0.91 2.02 -1.26 -0.04 117.35 119.53 1a9n s TYR 86 Ca 0.05 1.78 -0.16 0.00 -0.37 0.00 0.00 57.07 58.37 1a9n s TYR 86 Cb 0.01 -3.13 0.00 0.00 -0.40 0.00 0.00 41.96 38.44 1a9n s TYR 86 CO -0.09 -0.13 1.16 0.00 -1.57 0.00 0.00 175.55 174.92 1a9n s ALA 87 N -1.24 2.38 0.10 3.71 0.00 -0.89 -4.68 121.76 121.14 1a9n s ALA 87 Ca 0.45 0.75 -0.16 0.00 0.00 0.00 0.00 51.96 53.00 1a9n s ALA 87 Cb -0.28 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.39 1a9n s ALA 87 CO 0.35 -1.42 1.52 0.87 0.00 0.00 0.00 175.76 177.09 1a9n h LYS 88 N 0.15 0.60 -5.71 0.00 1.57 -1.95 -3.46 116.57 107.77 1a9n h LYS 88 Ca -0.48 -0.21 -0.61 0.00 -1.87 0.00 0.00 60.65 57.48 1a9n h LYS 88 Cb 1.27 -0.04 -0.10 0.00 0.08 0.00 0.00 32.23 33.44 1a9n h LYS 88 CO 0.53 0.75 -0.50 0.95 -0.57 0.00 0.00 179.45 180.61 1a9n s THR 89 N -4.88 1.92 0.21 -0.16 -4.23 -1.26 -5.03 115.64 102.21 1a9n s THR 89 Ca -0.13 -1.80 -0.24 0.00 -1.18 0.00 0.00 61.69 58.34 1a9n s THR 89 Cb 0.09 -2.73 -0.08 0.00 1.34 0.00 0.00 72.50 71.12 1a9n s THR 89 CO 0.78 0.00 0.78 -1.81 -0.54 0.00 0.00 174.62 173.83 1a9n s ASP 90 N -3.90 7.28 0.27 3.99 1.11 -1.26 -4.93 116.67 119.23 1a9n s ASP 90 Ca 0.32 1.60 -0.29 0.00 0.18 0.00 0.00 52.55 54.35 1a9n s ASP 90 Cb 0.04 -2.49 -0.09 0.00 1.07 0.00 0.00 42.92 41.45 1a9n s ASP 90 CO 0.17 0.12 1.12 -0.44 1.18 0.00 0.00 175.17 177.32 1a9n s SER 91 N -1.37 7.22 0.29 0.27 0.01 -1.26 -4.91 113.70 113.94 1a9n s SER 91 Ca 0.40 2.29 0.03 0.00 1.31 0.00 0.00 55.95 59.98 1a9n s SER 91 Cb -0.20 -2.63 0.69 0.00 0.21 0.00 0.00 66.02 64.09 1a9n s SER 91 CO 0.24 -0.19 1.71 0.44 0.41 0.00 0.00 173.24 175.86 1a9n h ASP 92 N 3.92 0.40 -0.57 2.44 3.32 -1.99 0.85 116.42 124.78 1a9n h ASP 92 Ca -0.47 0.14 -0.03 0.00 0.02 0.00 0.00 57.03 56.69 1a9n h ASP 92 Cb 1.21 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.83 1a9n h ASP 92 CO 0.67 0.06 0.26 0.40 -1.72 0.00 0.00 179.24 178.92 1a9n h ILE 93 N 0.47 1.21 -0.12 0.35 2.04 -1.99 -1.65 117.51 117.82 1a9n h ILE 93 Ca 0.54 -0.63 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 1a9n h ILE 93 Cb 0.97 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1a9n h ILE 93 CO -0.48 0.25 -0.11 0.40 0.00 0.00 0.00 178.15 178.21 1a9n h ILE 94 N 0.86 1.35 -0.72 -0.67 1.08 -1.25 -1.79 117.51 116.37 1a9n h ILE 94 Ca 0.21 -1.26 0.05 0.00 -0.39 0.00 0.00 64.86 63.47 1a9n h ILE 94 Cb 0.14 1.92 -0.04 0.00 -3.07 0.00 0.00 36.82 35.77 1a9n h ILE 94 CO -0.02 0.36 0.48 0.28 -0.69 0.00 0.00 178.15 178.56 1a9n h SER 95 N -0.11 0.70 0.68 1.72 0.02 -1.02 -0.62 113.55 114.92 1a9n h SER 95 Ca 0.02 -0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.78 1a9n h SER 95 Cb 0.63 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 1a9n h SER 95 CO 0.03 0.47 -0.85 0.11 -1.14 0.00 0.00 176.83 175.44 1a9n h LYS 96 N 0.80 0.11 0.00 3.45 1.57 -1.23 -2.59 116.57 118.68 1a9n h LYS 96 Ca 0.30 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.88 1a9n h LYS 96 Cb 0.18 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1a9n h LYS 96 CO -0.10 0.90 -0.36 1.98 -0.57 0.00 0.00 179.45 181.30 1a9n h MET 97 N 0.06 0.00 0.09 3.15 4.05 -0.61 -3.28 114.93 118.39 1a9n h MET 97 Ca -0.03 0.00 -0.31 0.00 -0.28 0.00 0.00 59.70 59.08 1a9n h MET 97 Cb 1.48 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.26 1a9n h MET 97 CO 0.12 0.36 -1.63 0.00 0.23 0.00 0.00 176.91 176.00 1a9n h ARG 98 N 0.00 0.19 0.00 0.39 3.08 -1.12 -3.51 114.38 113.41 1a9n h ARG 98 Ca -0.00 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1a9n h ARG 98 Cb 1.13 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1a9n h ARG 98 CO 0.05 0.99 0.00 0.41 -1.07 0.00 0.00 179.97 180.35