#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1agf s GLN 2 N 0.00 1.19 -0.06 6.28 -0.21 -1.26 -4.53 119.66 121.07 1agf s GLN 2 Ca 0.00 -0.47 0.03 0.00 0.02 0.00 0.00 55.36 54.94 1agf s GLN 2 Cb 0.00 -1.12 0.01 0.00 1.00 0.00 0.00 33.01 32.90 1agf s GLN 2 CO 0.00 0.25 -0.15 1.03 -2.12 0.00 0.00 175.29 174.30 1agf s ARG 3 N -0.16 1.92 0.17 2.91 0.52 0.50 -4.92 118.95 119.90 1agf s ARG 3 Ca 0.02 -0.53 -0.29 0.00 -0.52 0.00 0.00 55.73 54.41 1agf s ARG 3 Cb -0.07 -1.57 -0.07 0.00 0.52 0.00 0.00 34.95 33.75 1agf s ARG 3 CO 0.00 0.10 0.92 -0.08 0.02 0.00 0.00 175.30 176.27 1agf s THR 4 N 0.45 4.30 0.31 0.02 -1.32 -1.26 -1.72 115.64 116.42 1agf s THR 4 Ca -0.13 2.02 -0.29 0.00 -1.21 0.00 0.00 61.69 62.08 1agf s THR 4 Cb -0.15 -4.30 -0.11 0.00 -1.51 0.00 0.00 72.50 66.44 1agf s THR 4 CO 0.04 0.43 1.48 -2.16 -2.21 0.00 0.00 174.62 172.20 1agf s PRO 5 N -0.67 4.19 0.21 7.08 0.04 -1.26 -4.41 135.00 140.17 1agf s PRO 5 Ca 0.43 2.45 -0.13 0.00 0.04 0.00 0.00 61.00 63.78 1agf s PRO 5 Cb -0.24 -3.03 -0.07 0.00 0.04 0.00 0.00 34.50 31.19 1agf s PRO 5 CO 0.30 -0.48 0.60 0.15 0.04 0.00 0.00 177.00 177.61 1agf s LYS 6 N -1.17 3.95 -0.03 4.56 1.02 0.12 -4.89 119.74 123.30 1agf s LYS 6 Ca 0.57 0.49 0.01 0.00 0.02 0.00 0.00 55.97 57.06 1agf s LYS 6 Cb -0.45 -2.76 0.02 0.00 -0.52 0.00 0.00 37.83 34.12 1agf s LYS 6 CO 0.52 0.37 -0.05 0.42 -0.92 0.00 0.00 175.35 175.69 1agf s ILE 7 N -1.66 0.55 -0.05 2.17 1.01 -1.26 -1.45 121.20 120.51 1agf s ILE 7 Ca 0.44 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.93 1agf s ILE 7 Cb -0.13 -0.55 0.02 0.00 0.01 0.00 0.00 42.46 41.81 1agf s ILE 7 CO 0.20 0.21 -0.07 -1.10 0.00 0.00 0.00 174.94 174.18 1agf s GLN 8 N 0.65 1.09 -0.14 2.79 -0.21 -0.20 -4.99 119.66 118.66 1agf s GLN 8 Ca -0.09 -0.19 -0.01 0.00 0.02 0.00 0.00 55.36 55.09 1agf s GLN 8 Cb -0.12 -1.03 -0.02 0.00 1.00 0.00 0.00 33.01 32.84 1agf s GLN 8 CO 0.00 -0.07 -0.11 0.08 -2.12 0.00 0.00 175.29 173.08 1agf s VAL 9 N 0.92 3.20 0.05 1.09 1.01 -1.26 -0.95 120.40 124.47 1agf s VAL 9 Ca -0.11 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.00 1agf s VAL 9 Cb -0.15 -2.37 0.09 0.00 0.00 0.00 0.00 36.38 33.96 1agf s VAL 9 CO 0.01 0.51 0.99 -0.72 0.00 0.00 0.00 175.10 175.89 1agf s TYR 10 N 0.46 -0.20 0.14 5.22 1.13 -0.60 -4.50 117.35 119.00 1agf s TYR 10 Ca -0.08 -0.01 -0.01 0.00 -1.41 0.00 0.00 57.07 55.56 1agf s TYR 10 Cb -0.15 0.58 -0.04 0.00 -1.10 0.00 0.00 41.96 41.24 1agf s TYR 10 CO 0.04 -0.62 0.33 -1.54 -2.51 0.00 0.00 175.55 171.25 1agf s SER 11 N -2.73 6.40 0.27 -0.18 1.04 -1.26 0.21 113.70 117.45 1agf s SER 11 Ca 0.10 0.38 -0.04 0.00 0.48 0.00 0.00 55.95 56.87 1agf s SER 11 Cb -0.00 -2.00 0.35 0.00 0.10 0.00 0.00 66.02 64.46 1agf s SER 11 CO -0.03 0.05 1.91 -0.09 0.98 0.00 0.00 173.24 176.06 1agf h ARG 12 N 2.49 1.13 -6.42 4.02 2.43 -1.51 -3.44 114.38 113.09 1agf h ARG 12 Ca -0.47 -0.11 -0.63 0.00 -0.81 0.00 0.00 59.98 57.97 1agf h ARG 12 Cb 1.18 -0.23 -0.17 0.00 -0.42 0.00 0.00 29.97 30.32 1agf h ARG 12 CO 0.71 0.80 -0.80 -1.01 -1.51 0.00 0.00 179.97 178.17 1agf s HIS 13 N -5.82 2.23 0.19 2.20 3.76 -1.26 -5.05 115.29 111.54 1agf s HIS 13 Ca -0.12 -0.37 -0.33 0.00 -0.15 0.00 0.00 55.06 54.09 1agf s HIS 13 Cb 0.17 -1.07 -0.14 0.00 1.11 0.00 0.00 32.58 32.66 1agf s HIS 13 CO 0.81 0.53 1.51 -2.30 -0.85 0.00 0.00 174.74 174.44 1agf n PRO 14 N 0.04 2.09 -2.04 8.40 -0.02 -1.26 -4.87 135.00 137.34 1agf n PRO 14 Ca -0.11 0.75 -0.41 0.00 -2.02 0.00 0.00 63.50 61.71 1agf n PRO 14 Cb 0.57 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.55 1agf n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1agf s ALA 15 N 0.55 3.58 -0.07 3.55 0.00 -1.26 -5.02 121.76 123.08 1agf s ALA 15 Ca 0.75 1.31 -0.02 0.00 0.00 0.00 0.00 51.96 54.00 1agf s ALA 15 Cb -0.67 -3.53 0.04 0.00 0.00 0.00 0.00 23.12 18.95 1agf s ALA 15 CO 0.42 -0.72 0.05 -2.00 0.00 0.00 0.00 175.76 173.51 1agf s GLU 16 N -0.94 0.15 -0.10 0.00 2.12 -1.26 -5.11 118.70 113.56 1agf s GLU 16 Ca 0.55 0.20 -0.34 0.00 0.36 0.00 0.00 54.97 55.75 1agf s GLU 16 Cb -0.41 -0.90 -0.11 0.00 0.26 0.00 0.00 34.13 32.97 1agf s GLU 16 CO 0.48 -0.39 1.91 0.09 -0.54 0.00 0.00 175.26 176.81 1agf n ASN 17 N 5.25 3.44 0.00 -1.70 3.02 -1.26 -1.65 115.26 122.36 1agf n ASN 17 Ca -0.05 0.92 0.00 0.00 -0.03 0.00 0.00 54.58 55.42 1agf n ASN 17 Cb 0.50 -1.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 1agf n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1agf n GLY 18 N 4.55 1.70 3.73 7.41 0.00 0.98 -4.97 105.19 118.59 1agf n GLY 18 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 1agf n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1agf s LYS 19 N -0.91 4.26 0.56 1.61 -0.14 -0.66 -4.95 119.74 119.52 1agf s LYS 19 Ca 0.00 0.18 -0.21 0.00 -1.36 0.00 0.00 55.97 54.58 1agf s LYS 19 Cb 0.00 -3.42 -0.04 0.00 -1.68 0.00 0.00 37.83 32.68 1agf s LYS 19 CO 0.00 0.23 1.32 0.45 -0.76 0.00 0.00 175.35 176.59 1agf s SER 20 N 0.47 5.21 0.00 2.83 0.15 -1.26 -4.01 113.70 117.08 1agf s SER 20 Ca 0.19 2.68 0.00 0.00 0.70 0.00 0.00 55.95 59.52 1agf s SER 20 Cb -0.13 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 1agf s SER 20 CO 0.05 -1.61 0.00 -3.20 1.20 0.00 0.00 173.24 169.69 1agf n ASN 21 N -1.19 0.00 -4.00 5.45 2.85 0.12 -4.97 115.26 113.52 1agf n ASN 21 Ca 0.11 -0.59 -0.23 0.00 -0.11 0.00 0.00 54.58 53.76 1agf n ASN 21 Cb 0.46 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.32 1agf n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1agf s PHE 22 N -6.09 1.20 -0.20 1.20 0.40 -1.26 -1.34 117.98 111.88 1agf s PHE 22 Ca 0.00 -0.39 -0.15 0.00 -0.60 0.00 0.00 56.93 55.80 1agf s PHE 22 Cb 0.00 -0.89 -0.04 0.00 0.51 0.00 0.00 43.02 42.60 1agf s PHE 22 CO 0.00 -0.21 0.34 -1.17 0.70 0.00 0.00 175.22 174.88 1agf s LEU 23 N 0.57 4.16 -0.02 -0.37 2.96 0.13 -1.14 118.68 124.97 1agf s LEU 23 Ca -0.11 0.44 0.05 0.00 -0.22 0.00 0.00 54.13 54.29 1agf s LEU 23 Cb -0.14 -2.41 -0.03 0.00 0.50 0.00 0.00 46.19 44.11 1agf s LEU 23 CO 0.02 -0.02 -0.16 0.20 -1.32 0.00 0.00 176.35 175.07 1agf s ASN 24 N 0.96 3.92 -0.20 3.68 0.01 0.13 -1.52 114.94 121.92 1agf s ASN 24 Ca 0.16 -0.29 -0.01 0.00 -0.71 0.00 0.00 52.86 52.02 1agf s ASN 24 Cb -0.14 -0.75 0.05 0.00 0.41 0.00 0.00 41.25 40.82 1agf s ASN 24 CO 0.07 0.31 -0.01 0.00 -1.51 0.00 0.00 177.10 175.96 1agf s TYR 26 N 1.67 3.08 -0.12 0.00 5.04 -0.13 -0.18 117.35 126.71 1agf s TYR 26 Ca -0.02 -0.81 -0.01 0.00 -2.44 0.00 0.00 57.07 53.80 1agf s TYR 26 Cb -0.17 -2.21 -0.02 0.00 0.35 0.00 0.00 41.96 39.91 1agf s TYR 26 CO -0.07 -0.50 -0.10 0.14 -1.34 0.00 0.00 175.55 173.68 1agf s VAL 27 N 1.53 3.38 0.33 3.14 -7.23 -0.63 -1.03 120.40 119.88 1agf s VAL 27 Ca 0.05 -0.56 -0.06 0.00 -1.81 0.00 0.00 61.98 59.60 1agf s VAL 27 Cb -0.16 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.36 1agf s VAL 27 CO 0.01 0.53 0.49 -0.94 -0.31 0.00 0.00 175.10 174.89 1agf s SER 28 N 0.09 0.62 -1.08 4.85 1.04 -0.53 -1.03 113.70 117.67 1agf s SER 28 Ca -0.04 -1.35 0.00 0.00 0.48 0.00 0.00 55.95 55.04 1agf s SER 28 Cb -0.14 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1agf s SER 28 CO 0.04 -1.29 0.00 0.61 0.98 0.00 0.00 173.24 173.58 1agf n GLY 29 N -0.52 1.09 3.89 7.32 0.00 -0.75 0.12 105.19 116.33 1agf n GLY 29 Ca -0.00 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 1agf n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1agf s PHE 30 N -2.14 3.27 -0.28 1.61 -0.71 -1.23 -4.43 117.98 114.06 1agf s PHE 30 Ca 0.00 -0.06 -0.19 0.00 -1.04 0.00 0.00 56.93 55.64 1agf s PHE 30 Cb 0.00 -1.49 0.09 0.00 -1.21 0.00 0.00 43.02 40.42 1agf s PHE 30 CO 0.00 0.49 0.78 -1.58 -1.34 0.00 0.00 175.22 173.57 1agf s HIS 31 N -2.04 -0.85 1.13 3.49 2.46 -0.70 -0.79 115.29 118.00 1agf s HIS 31 Ca 0.33 1.82 -0.19 0.00 0.47 0.00 0.00 55.06 57.49 1agf s HIS 31 Cb -0.09 0.47 0.27 0.00 -0.13 0.00 0.00 32.58 33.10 1agf s HIS 31 CO 0.27 -0.42 1.21 -1.25 -2.47 0.00 0.00 174.74 172.08 1agf s PRO 32 N 1.11 -0.72 0.37 2.88 0.04 -1.26 -0.37 135.00 137.05 1agf s PRO 32 Ca -0.06 -0.31 0.28 0.00 0.04 0.00 0.00 61.00 60.95 1agf s PRO 32 Cb -0.05 -1.68 1.08 0.00 0.04 0.00 0.00 34.50 33.90 1agf s PRO 32 CO -0.12 -3.33 1.82 0.66 0.04 0.00 0.00 177.00 176.06 1agf h SER 33 N -2.31 0.00 -2.73 6.66 4.64 -1.99 -3.45 113.55 114.38 1agf h SER 33 Ca -0.43 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.34 1agf h SER 33 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1agf h SER 33 CO 0.31 0.00 0.98 -1.81 -0.87 0.00 0.00 176.83 175.44 1agf s ASP 34 N -4.91 6.71 -0.00 4.97 1.01 -1.26 -4.98 116.67 118.21 1agf s ASP 34 Ca 0.04 2.25 -0.18 0.00 0.71 0.00 0.00 52.55 55.37 1agf s ASP 34 Cb 0.09 -2.55 0.03 0.00 1.01 0.00 0.00 42.92 41.51 1agf s ASP 34 CO 0.48 -0.85 0.40 -0.51 0.21 0.00 0.00 175.17 174.90 1agf s ILE 35 N 3.13 0.05 -0.12 0.77 2.07 -1.26 -4.58 121.20 121.27 1agf s ILE 35 Ca 0.70 -0.41 0.02 0.00 -1.41 0.00 0.00 60.65 59.56 1agf s ILE 35 Cb -0.34 -0.78 0.01 0.00 0.13 0.00 0.00 42.46 41.48 1agf s ILE 35 CO 0.29 -0.22 -0.19 -1.61 -1.91 0.00 0.00 174.94 171.30 1agf s GLU 36 N -1.65 2.62 -0.05 3.50 0.41 0.12 -4.99 118.70 118.66 1agf s GLU 36 Ca -0.11 -0.71 0.02 0.00 -0.41 0.00 0.00 54.97 53.77 1agf s GLU 36 Cb -0.03 -2.14 0.01 0.00 -1.78 0.00 0.00 34.13 30.19 1agf s GLU 36 CO 0.03 -0.01 -0.12 0.08 -0.49 0.00 0.00 175.26 174.76 1agf s VAL 37 N 0.82 1.06 -0.01 2.63 1.01 -1.26 -0.79 120.40 123.87 1agf s VAL 37 Ca -0.09 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.48 1agf s VAL 37 Cb -0.16 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 1agf s VAL 37 CO -0.00 0.33 -0.16 -1.81 0.00 0.00 0.00 175.10 173.46 1agf s ASP 38 N 0.51 1.85 -0.21 3.32 1.01 0.09 -4.98 116.67 118.26 1agf s ASP 38 Ca -0.11 -0.30 -0.10 0.00 0.71 0.00 0.00 52.55 52.75 1agf s ASP 38 Cb -0.14 -0.20 -0.05 0.00 1.01 0.00 0.00 42.92 43.54 1agf s ASP 38 CO 0.03 0.18 0.14 -0.76 0.21 0.00 0.00 175.17 174.97 1agf s LEU 39 N -0.44 4.19 -0.05 1.23 1.43 -1.26 -0.25 118.68 123.53 1agf s LEU 39 Ca 0.06 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 1agf s LEU 39 Cb -0.06 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 1agf s LEU 39 CO -0.00 0.16 -0.06 -0.76 0.23 0.00 0.00 176.35 175.91 1agf s LEU 40 N 0.48 3.21 -0.30 1.79 1.43 0.16 -1.25 118.68 124.21 1agf s LEU 40 Ca 0.08 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 1agf s LEU 40 Cb -0.11 -1.74 0.08 0.00 0.03 0.00 0.00 46.19 44.45 1agf s LEU 40 CO -0.01 0.34 -0.01 -0.75 0.23 0.00 0.00 176.35 176.16 1agf s LYS 41 N -0.97 1.65 -1.28 1.70 2.20 0.22 -1.03 119.74 122.23 1agf s LYS 41 Ca 0.14 -1.51 -0.02 0.00 -0.36 0.00 0.00 55.97 54.22 1agf s LYS 41 Cb -0.11 -2.90 0.01 0.00 -1.51 0.00 0.00 37.83 33.32 1agf s LYS 41 CO 0.03 -0.78 0.90 0.09 -0.36 0.00 0.00 175.35 175.23 1agf n ASN 42 N 4.43 -2.28 0.00 1.43 3.02 0.65 -1.95 115.26 120.56 1agf n ASN 42 Ca -0.04 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 1agf n ASN 42 Cb 0.42 -4.63 0.00 0.00 -0.61 0.00 0.00 39.78 34.97 1agf n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1agf n GLY 43 N -1.42 2.39 3.88 7.41 0.00 -1.26 -4.99 105.19 111.20 1agf n GLY 43 Ca -0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 1agf n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1agf s GLU 44 N 0.00 3.60 0.17 1.61 2.56 -0.82 -5.02 118.70 120.80 1agf s GLU 44 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 54.97 54.63 1agf s GLU 44 Cb 0.00 -3.07 -0.08 0.00 2.00 0.00 0.00 34.13 32.98 1agf s GLU 44 CO 0.00 0.64 1.22 0.50 -0.56 0.00 0.00 175.26 177.06 1agf s ARG 45 N -1.75 4.47 -0.10 4.30 3.52 -1.26 -0.61 118.95 127.52 1agf s ARG 45 Ca 0.28 1.89 -0.20 0.00 -0.13 0.00 0.00 55.73 57.56 1agf s ARG 45 Cb -0.13 -3.25 -0.04 0.00 -1.56 0.00 0.00 34.95 29.97 1agf s ARG 45 CO 0.16 -0.14 0.57 0.42 -0.81 0.00 0.00 175.30 175.51 1agf s ILE 46 N 0.13 5.13 -0.13 4.11 1.01 -0.38 -4.90 121.20 126.17 1agf s ILE 46 Ca 0.54 1.16 0.16 0.00 0.00 0.00 0.00 60.65 62.51 1agf s ILE 46 Cb -0.33 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1agf s ILE 46 CO 0.36 0.29 1.15 -0.33 0.00 0.00 0.00 174.94 176.41 1agf h GLU 47 N 6.76 0.00 -3.06 2.79 5.08 -1.95 -3.39 114.58 120.81 1agf h GLU 47 Ca -0.41 0.00 -0.76 0.00 -1.00 0.00 0.00 59.36 57.19 1agf h GLU 47 Cb 1.19 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.27 1agf h GLU 47 CO 0.76 0.41 1.91 1.63 -1.00 0.00 0.00 179.01 182.72 1agf n LYS 48 N -3.07 4.17 -4.24 2.33 4.01 -1.26 -4.94 118.16 115.16 1agf n LYS 48 Ca -0.03 -3.72 -0.33 0.00 -0.51 0.00 0.00 58.31 53.71 1agf n LYS 48 Cb 0.79 -2.75 -0.16 0.00 -0.51 0.00 0.00 35.03 32.40 1agf n LYS 48 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1agf s VAL 49 N -0.85 2.09 0.52 -0.18 1.01 -1.26 -4.61 120.40 117.11 1agf s VAL 49 Ca 0.43 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.54 1agf s VAL 49 Cb 0.12 -1.87 0.04 0.00 0.00 0.00 0.00 36.38 34.68 1agf s VAL 49 CO -0.02 0.54 0.54 -1.61 0.00 0.00 0.00 175.10 174.55 1agf s GLU 50 N 1.19 2.38 0.10 2.72 2.02 -0.86 -4.94 118.70 121.31 1agf s GLU 50 Ca 0.02 -1.72 -0.20 0.00 0.02 0.00 0.00 54.97 53.09 1agf s GLU 50 Cb -0.14 -2.40 0.05 0.00 0.10 0.00 0.00 34.13 31.75 1agf s GLU 50 CO -0.10 -0.57 0.50 -3.38 0.02 0.00 0.00 175.26 171.72 1agf s HIS 51 N -2.64 -0.38 0.91 1.61 -3.43 -1.26 -1.64 115.29 108.46 1agf s HIS 51 Ca 0.48 0.25 -0.12 0.00 -0.80 0.00 0.00 55.06 54.88 1agf s HIS 51 Cb -0.04 0.36 0.13 0.00 -1.43 0.00 0.00 32.58 31.61 1agf s HIS 51 CO 0.30 -0.71 1.09 -1.54 -2.00 0.00 0.00 174.74 171.88 1agf s SER 52 N -2.41 3.42 0.21 7.38 1.04 -0.30 -4.99 113.70 118.05 1agf s SER 52 Ca -0.01 1.41 -0.30 0.00 0.48 0.00 0.00 55.95 57.53 1agf s SER 52 Cb 0.00 -2.09 -0.08 0.00 0.10 0.00 0.00 66.02 63.95 1agf s SER 52 CO -0.08 -2.66 1.04 -1.81 0.98 0.00 0.00 173.24 170.71 1agf s ASP 53 N -3.48 7.40 0.12 7.02 1.01 -1.26 -4.76 116.67 122.72 1agf s ASP 53 Ca 0.63 2.06 -0.34 0.00 0.71 0.00 0.00 52.55 55.62 1agf s ASP 53 Cb -0.18 -2.61 -0.14 0.00 1.01 0.00 0.00 42.92 41.01 1agf s ASP 53 CO 0.57 -0.08 1.60 -0.11 0.21 0.00 0.00 175.17 177.36 1agf n LEU 54 N 1.87 3.05 -4.19 1.23 7.94 -1.26 -4.95 117.00 120.70 1agf n LEU 54 Ca 0.00 1.07 -0.16 0.00 -1.11 0.00 0.00 56.01 55.82 1agf n LEU 54 Cb 0.46 -1.40 -0.07 0.00 0.53 0.00 0.00 43.42 42.94 1agf n LEU 54 CO 0.52 -0.30 -0.04 -0.55 -1.11 0.00 0.00 177.39 175.91 1agf s SER 55 N 1.32 1.00 0.08 1.96 0.15 -1.23 -5.06 113.70 111.92 1agf s SER 55 Ca 0.81 -1.54 -0.12 0.00 0.70 0.00 0.00 55.95 55.80 1agf s SER 55 Cb -0.70 0.55 0.01 0.00 -1.71 0.00 0.00 66.02 64.18 1agf s SER 55 CO 0.40 -1.09 0.28 0.72 1.20 0.00 0.00 173.24 174.75 1agf s PHE 56 N -3.52 -0.02 0.82 3.44 -0.12 -1.26 -1.69 117.98 115.64 1agf s PHE 56 Ca 0.36 -0.30 -0.08 0.00 -0.05 0.00 0.00 56.93 56.86 1agf s PHE 56 Cb 0.02 0.07 0.15 0.00 -0.63 0.00 0.00 43.02 42.63 1agf s PHE 56 CO 0.21 -0.57 1.14 -1.12 -0.05 0.00 0.00 175.22 174.82 1agf s SER 57 N -2.60 3.89 0.56 1.98 0.01 -0.37 -4.92 113.70 112.25 1agf s SER 57 Ca 0.01 0.01 0.26 0.00 1.31 0.00 0.00 55.95 57.55 1agf s SER 57 Cb 0.02 -0.28 1.52 0.00 0.21 0.00 0.00 66.02 67.49 1agf s SER 57 CO -0.09 -2.20 2.06 0.50 0.41 0.00 0.00 173.24 173.92 1agf h LYS 58 N -1.01 0.00 -0.32 12.44 3.64 -2.03 0.19 116.57 129.48 1agf h LYS 58 Ca -0.41 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1agf h LYS 58 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1agf h LYS 58 CO 0.42 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.20 1agf n ASP 59 N -4.05 1.79 0.00 4.20 5.75 -1.26 -4.93 116.55 118.06 1agf n ASP 59 Ca 0.04 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.85 1agf n ASP 59 Cb 0.41 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 1agf n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1agf n TRP 60 N 0.47 0.00 -2.71 2.11 7.02 0.67 -5.02 117.44 119.98 1agf n TRP 60 Ca 0.12 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.23 1agf n TRP 60 Cb 0.29 -0.22 -0.06 0.00 -2.42 0.00 0.00 31.31 28.90 1agf n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1agf s SER 61 N -2.99 7.23 0.61 -0.99 1.04 -1.26 -4.73 113.70 112.61 1agf s SER 61 Ca 0.00 1.91 -0.10 0.00 0.48 0.00 0.00 55.95 58.24 1agf s SER 61 Cb 0.00 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.51 1agf s SER 61 CO 0.00 -0.15 0.99 -0.36 0.98 0.00 0.00 173.24 174.70 1agf s PHE 62 N -1.58 3.53 -0.05 5.02 0.08 0.03 -1.24 117.98 123.76 1agf s PHE 62 Ca 0.51 1.10 -0.10 0.00 0.12 0.00 0.00 56.93 58.57 1agf s PHE 62 Cb -0.20 -2.71 0.02 0.00 -0.57 0.00 0.00 43.02 39.56 1agf s PHE 62 CO 0.26 -0.72 0.23 1.52 -0.10 0.00 0.00 175.22 176.42 1agf s TYR 63 N -3.12 -0.17 -0.07 0.36 -0.85 -0.68 -1.82 117.35 111.01 1agf s TYR 63 Ca 0.54 0.36 -0.08 0.00 -0.52 0.00 0.00 57.07 57.37 1agf s TYR 63 Cb -0.11 0.06 0.02 0.00 0.38 0.00 0.00 41.96 42.31 1agf s TYR 63 CO 0.51 -0.24 0.22 -0.51 -1.52 0.00 0.00 175.55 174.02 1agf s LEU 64 N -0.62 1.17 -0.18 -3.49 1.43 -0.20 -3.58 118.68 113.22 1agf s LEU 64 Ca -0.07 0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 53.36 1agf s LEU 64 Cb -0.04 0.79 -0.01 0.00 0.03 0.00 0.00 46.19 46.96 1agf s LEU 64 CO 0.02 -0.13 -0.08 -0.22 0.23 0.00 0.00 176.35 176.16 1agf s LEU 65 N -0.15 2.81 -0.07 1.79 2.96 -1.26 -1.61 118.68 123.15 1agf s LEU 65 Ca -0.03 -0.36 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 1agf s LEU 65 Cb -0.03 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 1agf s LEU 65 CO 0.01 0.06 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.73 1agf s TYR 66 N 0.98 2.99 0.12 5.38 1.51 0.75 -1.15 117.35 127.92 1agf s TYR 66 Ca -0.01 0.04 -0.14 0.00 -1.01 0.00 0.00 57.07 55.95 1agf s TYR 66 Cb -0.15 -1.74 0.03 0.00 -0.11 0.00 0.00 41.96 39.99 1agf s TYR 66 CO -0.00 0.34 0.36 1.52 -1.11 0.00 0.00 175.55 176.66 1agf s TYR 67 N -0.78 -0.11 -0.07 2.71 1.13 -0.65 0.02 117.35 119.61 1agf s TYR 67 Ca 0.12 -0.24 -0.28 0.00 -1.41 0.00 0.00 57.07 55.26 1agf s TYR 67 Cb -0.11 0.19 0.06 0.00 -1.10 0.00 0.00 41.96 41.00 1agf s TYR 67 CO 0.02 -0.68 0.62 -0.08 -2.51 0.00 0.00 175.55 172.92 1agf s THR 68 N -3.82 0.01 0.24 -3.49 -1.32 -0.58 -2.02 115.64 104.66 1agf s THR 68 Ca 0.04 -0.07 -0.30 0.00 -1.21 0.00 0.00 61.69 60.15 1agf s THR 68 Cb 0.02 -0.93 -0.09 0.00 -1.51 0.00 0.00 72.50 69.99 1agf s THR 68 CO -0.11 -0.04 1.03 -0.70 -2.21 0.00 0.00 174.62 172.59 1agf s GLU 69 N -1.05 4.72 0.15 7.08 2.12 -1.26 0.17 118.70 130.64 1agf s GLU 69 Ca -0.10 1.66 -0.19 0.00 0.36 0.00 0.00 54.97 56.70 1agf s GLU 69 Cb -0.01 -3.24 0.04 0.00 0.26 0.00 0.00 34.13 31.18 1agf s GLU 69 CO 0.08 0.31 0.49 -0.59 -0.54 0.00 0.00 175.26 175.02 1agf s PHE 70 N -1.00 -0.29 -0.29 5.30 -0.71 -0.45 -4.84 117.98 115.69 1agf s PHE 70 Ca 0.44 -0.00 0.03 0.00 -1.04 0.00 0.00 56.93 56.36 1agf s PHE 70 Cb -0.29 0.39 0.08 0.00 -1.21 0.00 0.00 43.02 41.98 1agf s PHE 70 CO 0.36 -0.80 -0.03 0.99 -1.34 0.00 0.00 175.22 174.40 1agf s THR 71 N -3.80 2.10 0.45 -4.49 2.01 -1.26 0.11 115.64 110.76 1agf s THR 71 Ca 0.04 -1.88 -0.25 0.00 0.31 0.00 0.00 61.69 59.91 1agf s THR 71 Cb 0.00 -2.38 -0.08 0.00 0.01 0.00 0.00 72.50 70.05 1agf s THR 71 CO -0.10 -0.29 1.44 -2.84 -0.69 0.00 0.00 174.62 172.14 1agf s PRO 72 N 1.07 3.67 0.41 4.92 0.02 -1.26 -4.74 135.00 139.08 1agf s PRO 72 Ca 0.00 2.45 0.04 0.00 0.02 0.00 0.00 61.00 63.52 1agf s PRO 72 Cb -0.19 -2.66 -0.02 0.00 0.02 0.00 0.00 34.50 31.65 1agf s PRO 72 CO -0.07 -0.84 0.15 0.95 -0.33 0.00 0.00 177.00 176.85 1agf s THR 73 N -1.19 0.51 0.09 0.99 -4.23 -1.26 -0.01 115.64 110.53 1agf s THR 73 Ca 0.61 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 59.07 1agf s THR 73 Cb -0.44 -2.34 -0.26 0.00 1.34 0.00 0.00 72.50 70.79 1agf s THR 73 CO 0.57 0.00 1.17 -0.08 -0.54 0.00 0.00 174.62 175.74 1agf h GLU 74 N 1.80 0.32 0.11 3.99 4.81 -1.96 -3.37 114.58 120.29 1agf h GLU 74 Ca -0.34 -0.49 -0.23 0.00 -0.13 0.00 0.00 59.36 58.17 1agf h GLU 74 Cb 1.27 0.17 0.02 0.00 0.63 0.00 0.00 28.75 30.85 1agf h GLU 74 CO 0.54 1.21 -0.98 1.57 -0.73 0.00 0.00 179.01 180.61 1agf h LYS 75 N 0.11 0.46 -6.67 1.92 2.10 -2.02 -3.47 116.57 109.01 1agf h LYS 75 Ca -0.13 -0.65 -0.52 0.00 -2.00 0.00 0.00 60.65 57.34 1agf h LYS 75 Cb 1.89 0.22 0.05 0.00 -0.90 0.00 0.00 32.23 33.50 1agf h LYS 75 CO 0.20 1.28 0.87 -0.51 -2.00 0.00 0.00 179.45 179.30 1agf s ASP 76 N -7.14 6.54 -0.17 7.07 1.01 -1.26 -5.01 116.67 117.70 1agf s ASP 76 Ca -0.12 2.72 -0.07 0.00 0.71 0.00 0.00 52.55 55.79 1agf s ASP 76 Cb 0.03 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 1agf s ASP 76 CO 0.88 -0.83 0.05 -1.61 0.21 0.00 0.00 175.17 173.86 1agf s GLU 77 N 0.57 3.89 0.13 8.23 0.41 -1.26 -4.75 118.70 125.92 1agf s GLU 77 Ca 0.67 -0.36 0.10 0.00 -0.41 0.00 0.00 54.97 54.97 1agf s GLU 77 Cb -0.45 -3.16 -0.04 0.00 -1.78 0.00 0.00 34.13 28.70 1agf s GLU 77 CO 0.36 0.30 -0.23 0.71 -0.49 0.00 0.00 175.26 175.91 1agf s TYR 78 N 0.28 2.39 0.23 1.61 2.02 -1.26 -0.26 117.35 122.37 1agf s TYR 78 Ca 0.03 -0.34 -0.15 0.00 -0.37 0.00 0.00 57.07 56.24 1agf s TYR 78 Cb -0.13 -1.28 0.01 0.00 -0.40 0.00 0.00 41.96 40.17 1agf s TYR 78 CO 0.01 0.37 0.51 0.00 -1.57 0.00 0.00 175.55 174.86 1agf s ALA 79 N -1.14 -0.54 -0.12 3.71 0.00 -0.20 -0.20 121.76 123.28 1agf s ALA 79 Ca 0.16 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.50 1agf s ALA 79 Cb -0.10 0.96 0.02 0.00 0.00 0.00 0.00 23.12 24.00 1agf s ALA 79 CO 0.08 -0.85 -0.13 0.00 0.00 0.00 0.00 175.76 174.86 1agf s ARG 81 N 1.26 3.62 -0.07 0.00 3.52 0.66 -1.02 118.95 126.92 1agf s ARG 81 Ca -0.01 -0.50 0.04 0.00 -0.13 0.00 0.00 55.73 55.13 1agf s ARG 81 Cb -0.14 -3.26 -0.00 0.00 -1.56 0.00 0.00 34.95 29.99 1agf s ARG 81 CO -0.05 -0.16 -0.20 0.08 -0.81 0.00 0.00 175.30 174.15 1agf s VAL 82 N 1.52 1.73 -0.02 7.11 1.01 0.69 -0.73 120.40 131.71 1agf s VAL 82 Ca 0.06 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.23 1agf s VAL 82 Cb -0.15 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 1agf s VAL 82 CO 0.02 0.49 -0.15 0.21 0.00 0.00 0.00 175.10 175.67 1agf s ASN 83 N 0.20 1.81 0.12 3.32 3.04 0.03 -0.04 114.94 123.42 1agf s ASN 83 Ca -0.11 -0.28 -0.14 0.00 0.04 0.00 0.00 52.86 52.37 1agf s ASN 83 Cb -0.15 -0.28 0.03 0.00 -1.54 0.00 0.00 41.25 39.31 1agf s ASN 83 CO 0.05 0.17 0.35 -2.28 -3.04 0.00 0.00 177.10 172.35 1agf s HIS 84 N -0.24 -0.10 0.60 0.43 5.65 -1.26 -0.70 115.29 119.66 1agf s HIS 84 Ca 0.03 -0.24 0.29 0.00 0.25 0.00 0.00 55.06 55.39 1agf s HIS 84 Cb -0.07 0.18 1.56 0.00 -1.18 0.00 0.00 32.58 33.07 1agf s HIS 84 CO -0.00 -0.67 1.97 -0.24 -0.65 0.00 0.00 174.74 175.15 1agf h VAL 85 N 2.46 0.36 -0.00 0.89 3.04 -1.94 0.60 116.25 121.65 1agf h VAL 85 Ca -0.34 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 1agf h VAL 85 Cb 1.24 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 31.22 1agf h VAL 85 CO 0.49 0.00 -0.02 0.35 -1.01 0.00 0.00 177.57 177.38 1agf n THR 86 N -3.65 0.00 -4.53 3.17 -2.24 -1.26 -4.80 114.28 100.97 1agf n THR 86 Ca 0.05 -0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.49 1agf n THR 86 Cb 0.52 -0.45 -0.12 0.00 -2.10 0.00 0.00 70.33 68.17 1agf n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1agf s LEU 87 N -2.79 3.11 0.07 3.22 1.43 0.20 -4.98 118.68 118.94 1agf s LEU 87 Ca 0.21 -0.16 -0.26 0.00 -1.03 0.00 0.00 54.13 52.89 1agf s LEU 87 Cb 0.20 -1.73 -0.16 0.00 0.03 0.00 0.00 46.19 44.52 1agf s LEU 87 CO 0.50 0.20 1.63 0.28 0.23 0.00 0.00 176.35 179.19 1agf h SER 88 N 6.48 -0.20 -4.40 2.29 0.02 -1.87 -3.43 113.55 112.44 1agf h SER 88 Ca -0.32 -0.05 -0.26 0.00 -0.84 0.00 0.00 61.79 60.32 1agf h SER 88 Cb 1.19 0.05 -0.15 0.00 0.14 0.00 0.00 62.40 63.64 1agf h SER 88 CO 0.60 -0.08 -0.70 -1.10 -1.14 0.00 0.00 176.83 174.40 1agf s GLN 89 N -5.87 0.91 0.21 3.45 1.11 -1.26 -5.11 119.66 113.10 1agf s GLN 89 Ca -0.14 -1.37 -0.31 0.00 0.01 0.00 0.00 55.36 53.55 1agf s GLN 89 Cb 0.05 -0.34 -0.15 0.00 -1.01 0.00 0.00 33.01 31.55 1agf s GLN 89 CO 0.64 0.01 1.08 -2.30 0.01 0.00 0.00 175.29 174.74 1agf n PRO 90 N -0.08 1.16 -3.70 2.91 -0.02 -1.26 -4.94 135.00 129.06 1agf n PRO 90 Ca -0.12 0.41 -0.35 0.00 -2.02 0.00 0.00 63.50 61.42 1agf n PRO 90 Cb 0.61 -1.84 -0.08 0.00 -0.02 0.00 0.00 33.50 32.17 1agf n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1agf s LYS 91 N -0.77 4.17 -0.16 -0.52 2.20 0.94 -4.89 119.74 120.70 1agf s LYS 91 Ca 0.68 -0.16 -0.02 0.00 -0.36 0.00 0.00 55.97 56.12 1agf s LYS 91 Cb -0.81 -3.41 -0.01 0.00 -1.51 0.00 0.00 37.83 32.09 1agf s LYS 91 CO 0.55 0.31 -0.10 0.42 -0.36 0.00 0.00 175.35 176.17 1agf s ILE 92 N 0.32 3.23 -0.21 5.43 1.01 -1.26 -0.22 121.20 129.49 1agf s ILE 92 Ca 0.10 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 1agf s ILE 92 Cb -0.11 -2.39 0.01 0.00 0.01 0.00 0.00 42.46 39.97 1agf s ILE 92 CO -0.01 0.50 -0.12 -0.69 0.00 0.00 0.00 174.94 174.62 1agf s VAL 93 N 0.66 2.67 0.27 2.92 1.01 -0.19 -4.95 120.40 122.79 1agf s VAL 93 Ca -0.05 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 1agf s VAL 93 Cb -0.15 -2.22 -0.09 0.00 0.00 0.00 0.00 36.38 33.91 1agf s VAL 93 CO 0.02 0.42 1.02 -0.54 0.00 0.00 0.00 175.10 176.02 1agf s LYS 94 N 1.36 4.72 0.08 2.72 1.02 -1.26 -0.98 119.74 127.39 1agf s LYS 94 Ca 0.04 1.64 -0.31 0.00 0.02 0.00 0.00 55.97 57.36 1agf s LYS 94 Cb -0.14 -3.19 -0.07 0.00 -0.52 0.00 0.00 37.83 33.90 1agf s LYS 94 CO -0.08 0.33 1.41 -0.46 -0.92 0.00 0.00 175.35 175.64 1agf s TRP 95 N -1.21 3.07 -0.25 3.18 -0.00 0.73 -4.91 118.94 119.55 1agf s TRP 95 Ca 0.44 0.87 -0.01 0.00 -0.00 0.00 0.00 56.10 57.40 1agf s TRP 95 Cb -0.29 -3.69 0.03 0.00 -0.00 0.00 0.00 33.47 29.52 1agf s TRP 95 CO 0.36 -2.50 -0.07 0.34 -0.00 0.00 0.00 176.95 175.07 1agf s ASP 96 N 1.44 4.29 0.58 5.86 -1.08 -1.26 -4.78 116.67 121.71 1agf s ASP 96 Ca 0.65 -0.98 0.30 0.00 -0.52 0.00 0.00 52.55 52.00 1agf s ASP 96 Cb -0.35 -1.63 1.66 0.00 -1.46 0.00 0.00 42.92 41.13 1agf s ASP 96 CO 0.29 -0.14 1.92 -0.09 0.52 0.00 0.00 175.17 177.67 1agf h ARG 97 N 7.97 0.00 -0.39 4.34 2.43 -1.93 -1.43 114.38 125.36 1agf h ARG 97 Ca -0.30 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.83 1agf h ARG 97 Cb 1.09 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 1agf h ARG 97 CO 0.56 0.00 0.02 -0.25 -1.51 0.00 0.00 179.97 178.79 1agf n ASP 98 N -2.74 4.37 0.00 -3.80 8.00 -1.26 -4.68 116.55 116.44 1agf n ASP 98 Ca -0.02 -3.07 0.00 0.00 0.71 0.00 0.00 54.79 52.41 1agf n ASP 98 Cb 0.25 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 1agf n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04