#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hpj n ILE 1 N 0.00 0.22 -3.90 3.17 5.41 -1.26 -5.01 119.36 117.99 3hpj n ILE 1 Ca 0.00 -0.04 -0.23 0.00 1.00 0.00 0.00 62.75 63.48 3hpj n ILE 1 Cb 0.00 -1.79 -0.17 0.00 -0.71 0.00 0.00 39.64 36.97 3hpj n ILE 1 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 3hpj s GLN 2 N 2.09 0.79 -0.03 0.38 -0.21 -1.26 -4.40 119.66 117.02 3hpj s GLN 2 Ca 0.82 0.00 0.07 0.00 0.02 0.00 0.00 55.36 56.28 3hpj s GLN 2 Cb -0.62 -1.02 -0.02 0.00 1.00 0.00 0.00 33.01 32.35 3hpj s GLN 2 CO 0.40 -0.24 -0.25 1.03 -2.12 0.00 0.00 175.29 174.12 3hpj s ARG 3 N 1.65 2.22 0.16 2.91 0.52 -0.07 -4.91 118.95 121.42 3hpj s ARG 3 Ca 0.01 -0.90 -0.29 0.00 -0.52 0.00 0.00 55.73 54.02 3hpj s ARG 3 Cb -0.13 -2.09 -0.07 0.00 0.52 0.00 0.00 34.95 33.18 3hpj s ARG 3 CO -0.04 0.54 0.92 0.99 0.02 0.00 0.00 175.30 177.73 3hpj s THR 4 N -0.55 4.35 0.26 0.02 2.01 -1.26 -1.76 115.64 118.71 3hpj s THR 4 Ca 0.08 2.01 -0.30 0.00 0.31 0.00 0.00 61.69 63.80 3hpj s THR 4 Cb -0.11 -4.30 -0.09 0.00 0.01 0.00 0.00 72.50 68.01 3hpj s THR 4 CO -0.00 0.40 1.28 -2.16 -0.69 0.00 0.00 174.62 173.45 3hpj s PRO 5 N -0.53 4.41 0.37 4.92 0.04 -1.26 -4.31 135.00 138.65 3hpj s PRO 5 Ca 0.43 2.08 -0.24 0.00 0.04 0.00 0.00 61.00 63.31 3hpj s PRO 5 Cb -0.24 -3.15 -0.10 0.00 0.04 0.00 0.00 34.50 31.06 3hpj s PRO 5 CO 0.30 -0.16 0.99 0.15 0.04 0.00 0.00 177.00 178.32 3hpj s LYS 6 N -0.94 4.34 -0.06 4.56 1.02 0.47 -4.88 119.74 124.25 3hpj s LYS 6 Ca 0.52 1.38 0.00 0.00 0.02 0.00 0.00 55.97 57.89 3hpj s LYS 6 Cb -0.37 -2.58 0.02 0.00 -0.52 0.00 0.00 37.83 34.38 3hpj s LYS 6 CO 0.44 0.04 -0.04 0.42 -0.92 0.00 0.00 175.35 175.29 3hpj s ILE 7 N -1.73 0.56 -0.03 2.17 1.01 -1.26 -1.67 121.20 120.25 3hpj s ILE 7 Ca 0.55 -0.09 0.04 0.00 0.00 0.00 0.00 60.65 61.15 3hpj s ILE 7 Cb -0.19 -0.61 -0.00 0.00 0.01 0.00 0.00 42.46 41.67 3hpj s ILE 7 CO 0.24 0.25 -0.15 -1.10 0.00 0.00 0.00 174.94 174.18 3hpj s GLN 8 N 1.21 1.49 -0.09 2.79 -0.21 -0.31 -4.99 119.66 119.55 3hpj s GLN 8 Ca -0.06 -0.52 0.05 0.00 0.02 0.00 0.00 55.36 54.84 3hpj s GLN 8 Cb -0.14 -1.33 -0.00 0.00 1.00 0.00 0.00 33.01 32.54 3hpj s GLN 8 CO -0.02 0.22 -0.24 0.08 -2.12 0.00 0.00 175.29 173.21 3hpj s VAL 9 N 0.03 2.06 0.05 1.09 1.01 -1.26 -0.72 120.40 122.65 3hpj s VAL 9 Ca -0.02 -1.03 -0.28 0.00 0.00 0.00 0.00 61.98 60.65 3hpj s VAL 9 Cb -0.10 -1.77 0.09 0.00 0.00 0.00 0.00 36.38 34.60 3hpj s VAL 9 CO 0.01 0.56 1.00 -0.72 0.00 0.00 0.00 175.10 175.95 3hpj s TYR 10 N 0.22 -0.19 0.09 5.22 1.13 -0.92 -4.55 117.35 118.35 3hpj s TYR 10 Ca -0.15 -0.01 0.00 0.00 -1.41 0.00 0.00 57.07 55.50 3hpj s TYR 10 Cb -0.17 0.58 -0.04 0.00 -1.10 0.00 0.00 41.96 41.23 3hpj s TYR 10 CO 0.08 -0.61 0.24 -1.54 -2.51 0.00 0.00 175.55 171.21 3hpj s SER 11 N -2.73 6.37 0.20 -0.18 1.04 -1.26 -0.41 113.70 116.73 3hpj s SER 11 Ca 0.10 0.28 -0.11 0.00 0.48 0.00 0.00 55.95 56.70 3hpj s SER 11 Cb -0.00 -1.96 0.15 0.00 0.10 0.00 0.00 66.02 64.30 3hpj s SER 11 CO -0.03 0.13 1.87 -0.09 0.98 0.00 0.00 173.24 176.10 3hpj h ARG 12 N 2.82 0.93 -6.19 4.02 2.43 -1.38 -3.44 114.38 113.56 3hpj h ARG 12 Ca -0.46 -0.06 -0.60 0.00 -0.81 0.00 0.00 59.98 58.05 3hpj h ARG 12 Cb 1.17 -0.21 -0.14 0.00 -0.42 0.00 0.00 29.97 30.37 3hpj h ARG 12 CO 0.74 0.61 -0.76 -1.01 -1.51 0.00 0.00 179.97 178.04 3hpj s HIS 13 N -6.14 2.26 0.01 2.20 3.76 -1.26 -5.04 115.29 111.09 3hpj s HIS 13 Ca -0.13 -0.34 -0.38 0.00 -0.15 0.00 0.00 55.06 54.06 3hpj s HIS 13 Cb 0.15 -0.99 -0.17 0.00 1.11 0.00 0.00 32.58 32.68 3hpj s HIS 13 CO 0.77 0.69 1.35 -2.30 -0.85 0.00 0.00 174.74 174.41 3hpj n PRO 14 N -0.58 0.94 -2.01 8.40 -0.02 -1.26 -4.86 135.00 135.61 3hpj n PRO 14 Ca -0.05 0.34 -0.42 0.00 -2.02 0.00 0.00 63.50 61.34 3hpj n PRO 14 Cb 0.60 -1.96 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 3hpj n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hpj s ALA 15 N 0.83 3.64 -0.08 3.55 0.00 -1.26 -5.00 121.76 123.45 3hpj s ALA 15 Ca 0.88 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.89 3hpj s ALA 15 Cb -1.03 -3.69 0.02 0.00 0.00 0.00 0.00 23.12 18.42 3hpj s ALA 15 CO 0.51 -1.16 -0.06 -1.21 0.00 0.00 0.00 175.76 173.84 3hpj s GLU 16 N 3.05 1.17 0.15 0.00 2.02 -1.26 -5.11 118.70 118.71 3hpj s GLU 16 Ca 0.72 -0.17 -0.34 0.00 0.02 0.00 0.00 54.97 55.20 3hpj s GLU 16 Cb -0.36 -1.21 -0.14 0.00 0.10 0.00 0.00 34.13 32.52 3hpj s GLU 16 CO 0.30 -0.16 1.53 0.09 0.02 0.00 0.00 175.26 177.04 3hpj n ASN 17 N 4.50 2.81 0.00 -0.19 3.02 -1.26 -1.81 115.26 122.34 3hpj n ASN 17 Ca -0.17 1.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.47 3hpj n ASN 17 Cb 0.51 -1.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 3hpj n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hpj n GLY 18 N 3.20 0.96 3.35 7.41 0.00 0.12 -5.00 105.19 115.24 3hpj n GLY 18 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3hpj n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hpj s LYS 19 N -0.43 2.96 0.44 1.61 1.02 -0.75 -4.99 119.74 119.60 3hpj s LYS 19 Ca 0.00 -0.76 -0.25 0.00 0.02 0.00 0.00 55.97 54.97 3hpj s LYS 19 Cb 0.00 -2.43 -0.08 0.00 -0.52 0.00 0.00 37.83 34.80 3hpj s LYS 19 CO 0.00 0.34 1.41 -1.54 -0.92 0.00 0.00 175.35 174.64 3hpj s SER 20 N -0.01 5.95 0.29 2.83 1.04 -1.26 -4.28 113.70 118.26 3hpj s SER 20 Ca -0.05 2.88 -0.09 0.00 0.48 0.00 0.00 55.95 59.17 3hpj s SER 20 Cb -0.15 -2.65 0.03 0.00 0.10 0.00 0.00 66.02 63.36 3hpj s SER 20 CO 0.05 -1.12 0.53 -3.20 0.98 0.00 0.00 173.24 170.48 3hpj n ASN 21 N -0.13 -1.54 -4.07 7.02 2.85 0.39 -5.00 115.26 114.77 3hpj n ASN 21 Ca 0.05 -2.24 -0.24 0.00 -0.11 0.00 0.00 54.58 52.04 3hpj n ASN 21 Cb 0.42 2.62 -0.16 0.00 1.24 0.00 0.00 39.78 43.90 3hpj n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3hpj s PHE 22 N -3.83 1.41 -0.10 1.20 0.40 -1.26 -1.23 117.98 114.57 3hpj s PHE 22 Ca 0.14 -0.41 -0.18 0.00 -0.60 0.00 0.00 56.93 55.89 3hpj s PHE 22 Cb -0.03 -0.98 -0.04 0.00 0.51 0.00 0.00 43.02 42.48 3hpj s PHE 22 CO 0.10 -0.16 0.47 -1.17 0.70 0.00 0.00 175.22 175.17 3hpj s LEU 23 N 0.18 4.30 0.03 -0.37 2.96 -0.31 -0.86 118.68 124.61 3hpj s LEU 23 Ca -0.05 0.84 0.09 0.00 -0.22 0.00 0.00 54.13 54.79 3hpj s LEU 23 Cb -0.11 -2.69 -0.03 0.00 0.50 0.00 0.00 46.19 43.87 3hpj s LEU 23 CO 0.02 0.04 -0.26 0.20 -1.32 0.00 0.00 176.35 175.03 3hpj s ASN 24 N 0.39 3.06 -0.23 3.68 0.01 0.46 -1.93 114.94 120.39 3hpj s ASN 24 Ca 0.26 -0.56 0.01 0.00 -0.71 0.00 0.00 52.86 51.86 3hpj s ASN 24 Cb -0.15 -0.29 0.06 0.00 0.41 0.00 0.00 41.25 41.28 3hpj s ASN 24 CO 0.11 0.26 -0.07 0.00 -1.51 0.00 0.00 177.10 175.89 3hpj s TYR 26 N 1.37 3.23 -0.09 0.00 5.04 0.10 -0.72 117.35 126.28 3hpj s TYR 26 Ca -0.05 0.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.78 3hpj s TYR 26 Cb -0.18 -2.55 -0.03 0.00 0.35 0.00 0.00 41.96 39.55 3hpj s TYR 26 CO -0.06 -0.27 -0.08 0.14 -1.34 0.00 0.00 175.55 173.94 3hpj s VAL 27 N 1.97 3.57 0.18 3.14 -7.23 -0.48 -1.16 120.40 120.39 3hpj s VAL 27 Ca 0.12 -0.51 -0.17 0.00 -1.81 0.00 0.00 61.98 59.61 3hpj s VAL 27 Cb -0.16 -2.48 0.03 0.00 0.56 0.00 0.00 36.38 34.32 3hpj s VAL 27 CO 0.11 0.57 0.49 -0.94 -0.31 0.00 0.00 175.10 175.01 3hpj s SER 28 N -0.40 -0.24 -0.03 4.85 1.04 -0.67 -1.33 113.70 116.93 3hpj s SER 28 Ca 0.06 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.00 3hpj s SER 28 Cb -0.12 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.55 3hpj s SER 28 CO 0.02 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.84 3hpj n GLY 29 N -0.32 0.41 3.98 7.32 0.00 -0.35 -0.40 105.19 115.83 3hpj n GLY 29 Ca -0.11 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 3hpj n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hpj s PHE 30 N -1.80 3.24 -0.28 1.61 -0.71 -1.18 -4.36 117.98 114.50 3hpj s PHE 30 Ca 0.00 -0.14 -0.21 0.00 -1.04 0.00 0.00 56.93 55.54 3hpj s PHE 30 Cb 0.00 -1.81 0.10 0.00 -1.21 0.00 0.00 43.02 40.10 3hpj s PHE 30 CO 0.00 0.18 0.87 -1.58 -1.34 0.00 0.00 175.22 173.35 3hpj s HIS 31 N -2.10 -0.69 0.84 3.49 2.46 -0.72 -1.26 115.29 117.31 3hpj s HIS 31 Ca 0.40 1.55 -0.14 0.00 0.47 0.00 0.00 55.06 57.34 3hpj s HIS 31 Cb -0.09 0.39 0.21 0.00 -0.13 0.00 0.00 32.58 32.95 3hpj s HIS 31 CO 0.30 -0.34 0.79 -0.35 -2.47 0.00 0.00 174.74 172.67 3hpj n PRO 32 N 3.05 -2.29 0.13 2.88 -0.04 -1.26 -0.90 135.00 136.57 3hpj n PRO 32 Ca -0.16 -1.25 0.12 0.00 -0.04 0.00 0.00 63.50 62.17 3hpj n PRO 32 Cb 0.57 -1.12 0.14 0.00 -0.04 0.00 0.00 33.50 33.05 3hpj n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3hpj h SER 33 N -2.08 0.00 -1.73 3.54 4.64 -2.00 -3.45 113.55 112.48 3hpj h SER 33 Ca -0.29 -0.05 -0.63 0.00 -0.47 0.00 0.00 61.79 60.35 3hpj h SER 33 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3hpj h SER 33 CO 0.19 0.02 1.26 0.47 -0.87 0.00 0.00 176.83 177.90 3hpj n ASP 34 N -2.63 3.00 -3.85 4.97 10.43 -1.26 -4.95 116.55 122.27 3hpj n ASP 34 Ca 0.03 0.67 -0.12 0.00 2.57 0.00 0.00 54.79 57.94 3hpj n ASP 34 Cb 0.50 -1.37 -0.10 0.00 1.84 0.00 0.00 41.12 42.00 3hpj n ASP 34 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 3hpj s ILE 35 N 5.79 0.06 -0.13 0.53 2.07 -1.26 -4.62 121.20 123.64 3hpj s ILE 35 Ca 0.99 -0.50 0.03 0.00 -1.41 0.00 0.00 60.65 59.76 3hpj s ILE 35 Cb -0.69 -0.41 0.00 0.00 0.13 0.00 0.00 42.46 41.50 3hpj s ILE 35 CO 0.49 -0.27 -0.21 -1.61 -1.91 0.00 0.00 174.94 171.42 3hpj s GLU 36 N -1.01 3.07 -0.06 3.50 2.02 -0.47 -4.99 118.70 120.77 3hpj s GLU 36 Ca -0.11 -0.84 -0.01 0.00 0.02 0.00 0.00 54.97 54.03 3hpj s GLU 36 Cb -0.06 -2.43 0.03 0.00 0.10 0.00 0.00 34.13 31.77 3hpj s GLU 36 CO 0.01 0.06 -0.01 0.08 0.02 0.00 0.00 175.26 175.42 3hpj s VAL 37 N 0.66 0.39 0.10 2.63 1.01 -1.26 -0.37 120.40 123.55 3hpj s VAL 37 Ca -0.10 0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.03 3hpj s VAL 37 Cb -0.16 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 3hpj s VAL 37 CO 0.02 0.24 -0.24 -1.81 0.00 0.00 0.00 175.10 173.30 3hpj s ASP 38 N 1.58 2.97 -0.06 3.32 -0.00 0.62 -4.97 116.67 120.14 3hpj s ASP 38 Ca -0.01 -0.68 -0.03 0.00 -0.00 0.00 0.00 52.55 51.83 3hpj s ASP 38 Cb -0.13 -0.21 -0.04 0.00 -0.00 0.00 0.00 42.92 42.55 3hpj s ASP 38 CO -0.03 0.16 0.11 -0.76 -0.00 0.00 0.00 175.17 174.64 3hpj s LEU 39 N -1.76 4.11 -0.02 1.23 1.43 -1.26 -0.65 118.68 121.76 3hpj s LEU 39 Ca 0.11 0.29 0.07 0.00 -1.03 0.00 0.00 54.13 53.57 3hpj s LEU 39 Cb -0.10 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 43.90 3hpj s LEU 39 CO 0.04 0.33 -0.21 -0.76 0.23 0.00 0.00 176.35 175.98 3hpj s LEU 40 N -1.42 2.04 -0.19 1.79 1.43 0.22 -0.71 118.68 121.84 3hpj s LEU 40 Ca 0.20 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 3hpj s LEU 40 Cb -0.12 -1.11 0.02 0.00 0.03 0.00 0.00 46.19 45.00 3hpj s LEU 40 CO 0.10 0.26 -0.18 -0.75 0.23 0.00 0.00 176.35 176.01 3hpj s LYS 41 N -0.47 3.00 -1.61 1.70 2.20 0.09 -1.45 119.74 123.20 3hpj s LYS 41 Ca 0.07 -0.83 -0.17 0.00 -0.36 0.00 0.00 55.97 54.69 3hpj s LYS 41 Cb -0.09 -2.64 0.13 0.00 -1.51 0.00 0.00 37.83 33.73 3hpj s LYS 41 CO -0.01 -0.23 0.81 0.09 -0.36 0.00 0.00 175.35 175.65 3hpj n ASN 42 N 4.63 -3.77 0.00 1.43 3.02 0.58 -1.20 115.26 119.96 3hpj n ASN 42 Ca -0.20 -0.87 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 3hpj n ASN 42 Cb 0.50 -3.06 0.00 0.00 -0.61 0.00 0.00 39.78 36.61 3hpj n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hpj n GLY 43 N -1.43 2.33 3.64 7.41 0.00 -1.26 -5.05 105.19 110.83 3hpj n GLY 43 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 3hpj n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hpj s GLU 44 N -0.78 2.68 0.03 1.61 2.02 -0.34 -5.01 118.70 118.91 3hpj s GLU 44 Ca 0.00 -0.66 -0.30 0.00 0.02 0.00 0.00 54.97 54.02 3hpj s GLU 44 Cb 0.00 -2.60 -0.06 0.00 0.10 0.00 0.00 34.13 31.57 3hpj s GLU 44 CO 0.00 0.61 1.46 0.50 0.02 0.00 0.00 175.26 177.86 3hpj s ARG 45 N -1.50 4.26 0.08 1.61 3.52 -1.26 -0.73 118.95 124.93 3hpj s ARG 45 Ca 0.18 2.07 -0.30 0.00 -0.13 0.00 0.00 55.73 57.55 3hpj s ARG 45 Cb -0.11 -3.56 -0.06 0.00 -1.56 0.00 0.00 34.95 29.66 3hpj s ARG 45 CO 0.09 -0.61 1.14 0.42 -0.81 0.00 0.00 175.30 175.54 3hpj s ILE 46 N 2.37 4.13 0.02 4.11 1.01 0.11 -4.89 121.20 128.06 3hpj s ILE 46 Ca 0.66 1.59 -0.08 0.00 0.00 0.00 0.00 60.65 62.82 3hpj s ILE 46 Cb -0.34 -4.01 -0.30 0.00 0.01 0.00 0.00 42.46 37.81 3hpj s ILE 46 CO 0.28 0.16 0.93 -0.33 0.00 0.00 0.00 174.94 175.97 3hpj h GLU 47 N 6.44 0.35 -3.08 2.79 5.08 -1.94 -3.41 114.58 120.82 3hpj h GLU 47 Ca -0.42 -0.60 -0.77 0.00 -1.00 0.00 0.00 59.36 56.56 3hpj h GLU 47 Cb 1.21 0.22 -0.19 0.00 0.50 0.00 0.00 28.75 30.50 3hpj h GLU 47 CO 0.78 1.26 1.73 0.36 -1.00 0.00 0.00 179.01 182.14 3hpj n LYS 48 N -3.56 4.18 -4.94 2.33 0.00 -1.26 -4.95 118.16 109.96 3hpj n LYS 48 Ca -0.16 -3.86 -0.33 0.00 -0.00 0.00 0.00 58.31 53.97 3hpj n LYS 48 Cb 1.06 -2.73 -0.15 0.00 -0.00 0.00 0.00 35.03 33.21 3hpj n LYS 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3hpj s VAL 49 N -1.09 2.65 0.30 0.58 1.01 -1.26 -4.67 120.40 117.92 3hpj s VAL 49 Ca 0.40 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 61.66 3hpj s VAL 49 Cb 0.11 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 3hpj s VAL 49 CO -0.00 0.54 0.12 -1.61 0.00 0.00 0.00 175.10 174.15 3hpj s GLU 50 N 0.37 2.48 0.07 2.72 2.02 -0.09 -4.93 118.70 121.34 3hpj s GLU 50 Ca -0.14 -1.39 0.01 0.00 0.02 0.00 0.00 54.97 53.47 3hpj s GLU 50 Cb -0.17 -2.27 -0.04 0.00 0.10 0.00 0.00 34.13 31.75 3hpj s GLU 50 CO 0.07 0.24 -0.05 -3.38 0.02 0.00 0.00 175.26 172.16 3hpj s HIS 51 N -2.33 0.68 0.96 1.61 -3.43 -1.26 -0.86 115.29 110.66 3hpj s HIS 51 Ca 0.35 -0.86 -0.12 0.00 -0.80 0.00 0.00 55.06 53.62 3hpj s HIS 51 Cb -0.05 -0.43 0.16 0.00 -1.43 0.00 0.00 32.58 30.84 3hpj s HIS 51 CO 0.23 -0.22 1.12 -1.54 -2.00 0.00 0.00 174.74 172.33 3hpj s SER 52 N -2.63 3.05 0.10 7.38 1.04 -0.22 -4.99 113.70 117.43 3hpj s SER 52 Ca 0.04 1.04 -0.27 0.00 0.48 0.00 0.00 55.95 57.25 3hpj s SER 52 Cb 0.02 -1.65 -0.06 0.00 0.10 0.00 0.00 66.02 64.43 3hpj s SER 52 CO -0.05 -2.85 0.84 -1.81 0.98 0.00 0.00 173.24 170.35 3hpj s ASP 53 N -3.78 7.36 -0.11 7.02 -0.00 -1.26 -4.76 116.67 121.13 3hpj s ASP 53 Ca 0.65 1.62 -0.37 0.00 -0.00 0.00 0.00 52.55 54.45 3hpj s ASP 53 Cb -0.16 -2.52 -0.15 0.00 -0.00 0.00 0.00 42.92 40.09 3hpj s ASP 53 CO 0.55 0.04 1.69 -0.11 -0.00 0.00 0.00 175.17 177.34 3hpj n LEU 54 N 2.46 2.60 0.00 1.23 7.94 -1.26 -4.93 117.00 125.04 3hpj n LEU 54 Ca -0.02 1.06 -0.18 0.00 -1.11 0.00 0.00 56.01 55.76 3hpj n LEU 54 Cb 0.49 -1.24 -0.07 0.00 0.53 0.00 0.00 43.42 43.13 3hpj n LEU 54 CO 0.48 -0.43 -0.09 -0.24 -1.11 0.00 0.00 177.39 175.99 3hpj n SER 55 N 4.97 -0.46 -3.76 1.96 2.88 -1.21 -5.05 113.62 112.95 3hpj n SER 55 Ca 0.23 -2.99 -0.10 0.00 -1.33 0.00 0.00 58.87 54.69 3hpj n SER 55 Cb 0.20 1.46 -0.06 0.00 -0.75 0.00 0.00 64.21 65.06 3hpj n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3hpj s PHE 56 N -3.20 -0.01 0.55 0.66 -0.12 -1.26 -1.91 117.98 112.70 3hpj s PHE 56 Ca 0.34 -0.37 0.00 0.00 -0.05 0.00 0.00 56.93 56.86 3hpj s PHE 56 Cb 0.02 0.08 0.11 0.00 -0.63 0.00 0.00 43.02 42.59 3hpj s PHE 56 CO 0.24 -0.61 0.76 0.43 -0.05 0.00 0.00 175.22 176.00 3hpj n SER 57 N -0.11 1.08 -0.33 1.98 7.64 -0.21 -4.93 113.62 118.74 3hpj n SER 57 Ca -0.16 -1.90 0.15 0.00 1.01 0.00 0.00 58.87 57.98 3hpj n SER 57 Cb 0.63 -0.49 0.37 0.00 -1.01 0.00 0.00 64.21 63.71 3hpj n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3hpj h LYS 58 N 0.00 0.65 -0.26 1.43 1.57 -2.03 -1.21 116.57 116.71 3hpj h LYS 58 Ca -0.25 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 3hpj h LYS 58 Cb 0.94 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.11 3hpj h LYS 58 CO 0.28 0.43 0.00 -0.40 -0.57 0.00 0.00 179.45 179.18 3hpj n ASP 59 N -4.72 1.42 0.00 0.86 5.75 -1.26 -4.90 116.55 113.70 3hpj n ASP 59 Ca 0.23 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 53.03 3hpj n ASP 59 Cb 0.63 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 3hpj n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3hpj n TRP 60 N 0.27 0.00 -2.85 2.11 7.02 -0.46 -5.02 117.44 118.50 3hpj n TRP 60 Ca 0.09 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.20 3hpj n TRP 60 Cb 0.23 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.05 3hpj n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3hpj s SER 61 N -3.15 7.33 0.49 -0.99 1.04 -1.26 -4.67 113.70 112.49 3hpj s SER 61 Ca 0.00 1.76 -0.16 0.00 0.48 0.00 0.00 55.95 58.02 3hpj s SER 61 Cb 0.00 -2.55 -0.08 0.00 0.10 0.00 0.00 66.02 63.49 3hpj s SER 61 CO 0.00 0.01 0.96 -0.36 0.98 0.00 0.00 173.24 174.83 3hpj s PHE 62 N -1.50 3.44 0.00 5.02 0.08 -0.39 -1.04 117.98 123.60 3hpj s PHE 62 Ca 0.46 1.44 -0.03 0.00 0.12 0.00 0.00 56.93 58.92 3hpj s PHE 62 Cb -0.20 -2.76 -0.01 0.00 -0.57 0.00 0.00 43.02 39.49 3hpj s PHE 62 CO 0.25 -0.31 0.04 1.52 -0.10 0.00 0.00 175.22 176.62 3hpj s TYR 63 N -2.55 0.11 -0.02 0.36 -0.85 -0.80 -1.21 117.35 112.39 3hpj s TYR 63 Ca 0.58 -0.22 -0.07 0.00 -0.52 0.00 0.00 57.07 56.84 3hpj s TYR 63 Cb -0.10 -0.09 0.01 0.00 0.38 0.00 0.00 41.96 42.16 3hpj s TYR 63 CO 0.29 -0.18 0.16 -0.51 -1.52 0.00 0.00 175.55 173.80 3hpj s LEU 64 N -1.03 1.44 -0.21 -3.49 1.43 -0.44 -3.32 118.68 113.07 3hpj s LEU 64 Ca -0.11 0.00 -0.04 0.00 -1.03 0.00 0.00 54.13 52.95 3hpj s LEU 64 Cb -0.07 0.68 -0.01 0.00 0.03 0.00 0.00 46.19 46.82 3hpj s LEU 64 CO 0.00 -0.27 -0.04 -0.22 0.23 0.00 0.00 176.35 176.05 3hpj s LEU 65 N -0.87 2.95 -0.08 1.79 2.96 -1.26 -1.38 118.68 122.79 3hpj s LEU 65 Ca -0.10 -0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 53.43 3hpj s LEU 65 Cb -0.05 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 3hpj s LEU 65 CO 0.01 0.02 0.08 -0.31 -1.32 0.00 0.00 176.35 174.84 3hpj s TYR 66 N 1.24 3.39 0.08 5.38 1.51 0.11 -1.05 117.35 128.00 3hpj s TYR 66 Ca 0.03 0.35 -0.19 0.00 -1.01 0.00 0.00 57.07 56.25 3hpj s TYR 66 Cb -0.14 -1.85 0.04 0.00 -0.11 0.00 0.00 41.96 39.90 3hpj s TYR 66 CO -0.01 0.61 0.45 1.52 -1.11 0.00 0.00 175.55 177.00 3hpj s TYR 67 N -1.01 -0.30 -0.11 2.71 1.13 -0.04 0.85 117.35 120.57 3hpj s TYR 67 Ca 0.16 0.19 -0.26 0.00 -1.41 0.00 0.00 57.07 55.76 3hpj s TYR 67 Cb -0.12 0.28 0.06 0.00 -1.10 0.00 0.00 41.96 41.08 3hpj s TYR 67 CO 0.06 -0.65 0.61 -0.08 -2.51 0.00 0.00 175.55 172.98 3hpj s THR 68 N -2.94 0.01 0.29 -3.49 -1.32 -0.81 -0.91 115.64 106.46 3hpj s THR 68 Ca -0.02 -0.07 -0.29 0.00 -1.21 0.00 0.00 61.69 60.10 3hpj s THR 68 Cb 0.00 -0.91 -0.10 0.00 -1.51 0.00 0.00 72.50 69.98 3hpj s THR 68 CO -0.06 -0.04 1.31 -1.61 -2.21 0.00 0.00 174.62 172.01 3hpj s GLU 69 N -0.69 4.37 0.16 7.08 2.02 -1.26 -1.17 118.70 129.22 3hpj s GLU 69 Ca -0.08 2.16 -0.15 0.00 0.02 0.00 0.00 54.97 56.93 3hpj s GLU 69 Cb -0.02 -3.11 0.02 0.00 0.10 0.00 0.00 34.13 31.12 3hpj s GLU 69 CO 0.06 -0.20 0.41 -0.59 0.02 0.00 0.00 175.26 174.96 3hpj s PHE 70 N -0.73 -0.01 -0.24 1.61 -0.71 -0.36 -4.85 117.98 112.69 3hpj s PHE 70 Ca 0.52 -0.34 0.01 0.00 -1.04 0.00 0.00 56.93 56.08 3hpj s PHE 70 Cb -0.39 0.22 0.06 0.00 -1.21 0.00 0.00 43.02 41.71 3hpj s PHE 70 CO 0.48 -0.79 -0.06 0.99 -1.34 0.00 0.00 175.22 174.50 3hpj s THR 71 N -3.87 1.68 0.37 -4.49 2.01 -1.26 -0.47 115.64 109.61 3hpj s THR 71 Ca 0.09 -1.33 -0.28 0.00 0.31 0.00 0.00 61.69 60.48 3hpj s THR 71 Cb 0.01 -1.92 -0.10 0.00 0.01 0.00 0.00 72.50 70.51 3hpj s THR 71 CO -0.05 -0.10 1.32 -2.84 -0.69 0.00 0.00 174.62 172.26 3hpj s PRO 72 N 1.32 4.18 0.44 4.92 0.02 -1.26 -4.80 135.00 139.81 3hpj s PRO 72 Ca -0.06 2.21 0.03 0.00 0.02 0.00 0.00 61.00 63.20 3hpj s PRO 72 Cb -0.19 -2.93 -0.03 0.00 0.02 0.00 0.00 34.50 31.37 3hpj s PRO 72 CO -0.06 -0.34 0.06 0.95 -0.33 0.00 0.00 177.00 177.29 3hpj s THR 73 N -1.19 1.00 0.22 0.99 -4.23 -1.26 -0.70 115.64 110.47 3hpj s THR 73 Ca 0.52 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.00 3hpj s THR 73 Cb -0.39 -2.39 0.02 0.00 1.34 0.00 0.00 72.50 71.07 3hpj s THR 73 CO 0.52 0.00 1.62 -0.08 -0.54 0.00 0.00 174.62 176.14 3hpj h GLU 74 N 1.67 0.69 0.00 3.99 4.81 -1.97 -3.36 114.58 120.41 3hpj h GLU 74 Ca -0.40 -0.30 -0.22 0.00 -0.13 0.00 0.00 59.36 58.31 3hpj h GLU 74 Cb 1.28 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.60 3hpj h GLU 74 CO 0.67 0.90 -1.86 1.63 -0.73 0.00 0.00 179.01 179.62 3hpj n LYS 75 N -4.09 0.65 -2.48 1.92 5.02 -1.26 -4.94 118.16 112.99 3hpj n LYS 75 Ca -0.01 0.09 -0.41 0.00 -2.02 0.00 0.00 58.31 55.96 3hpj n LYS 75 Cb 0.46 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 3hpj n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hpj s ASP 76 N -5.53 7.19 -0.08 4.39 1.01 -1.26 -5.04 116.67 117.35 3hpj s ASP 76 Ca -0.06 2.04 -0.04 0.00 0.71 0.00 0.00 52.55 55.20 3hpj s ASP 76 Cb 0.09 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 3hpj s ASP 76 CO 0.83 -0.33 0.09 -1.61 0.21 0.00 0.00 175.17 174.36 3hpj s GLU 77 N 0.28 3.21 0.14 8.23 2.02 -1.26 -4.78 118.70 126.54 3hpj s GLU 77 Ca 0.53 -0.30 0.10 0.00 0.02 0.00 0.00 54.97 55.32 3hpj s GLU 77 Cb -0.29 -2.99 -0.04 0.00 0.10 0.00 0.00 34.13 30.91 3hpj s GLU 77 CO 0.32 0.72 -0.24 0.71 0.02 0.00 0.00 175.26 176.79 3hpj s TYR 78 N -1.03 2.15 0.12 1.61 2.02 -1.26 -0.31 117.35 120.64 3hpj s TYR 78 Ca 0.17 -0.39 -0.12 0.00 -0.37 0.00 0.00 57.07 56.36 3hpj s TYR 78 Cb -0.12 -1.14 0.01 0.00 -0.40 0.00 0.00 41.96 40.31 3hpj s TYR 78 CO 0.06 0.33 0.29 0.00 -1.57 0.00 0.00 175.55 174.66 3hpj s ALA 79 N -1.25 -0.47 -0.09 3.71 0.00 -0.53 -0.45 121.76 122.68 3hpj s ALA 79 Ca 0.13 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 51.66 3hpj s ALA 79 Cb -0.09 0.63 -0.02 0.00 0.00 0.00 0.00 23.12 23.63 3hpj s ALA 79 CO 0.06 -0.59 -0.12 0.00 0.00 0.00 0.00 175.76 175.11 3hpj s ARG 81 N -0.27 3.07 -0.09 0.00 3.52 0.18 -0.12 118.95 125.25 3hpj s ARG 81 Ca 0.02 -0.82 0.03 0.00 -0.13 0.00 0.00 55.73 54.83 3hpj s ARG 81 Cb -0.13 -2.51 0.01 0.00 -1.56 0.00 0.00 34.95 30.76 3hpj s ARG 81 CO 0.03 -0.03 -0.16 0.08 -0.81 0.00 0.00 175.30 174.40 3hpj s VAL 82 N 0.88 1.49 0.15 7.11 1.01 0.00 -0.27 120.40 130.77 3hpj s VAL 82 Ca -0.05 -0.67 0.11 0.00 0.00 0.00 0.00 61.98 61.37 3hpj s VAL 82 Cb -0.15 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 3hpj s VAL 82 CO -0.03 0.43 -0.25 0.21 0.00 0.00 0.00 175.10 175.46 3hpj s ASN 83 N 0.66 3.39 0.01 3.32 3.84 0.50 -0.45 114.94 126.21 3hpj s ASN 83 Ca -0.14 -0.78 -0.28 0.00 0.21 0.00 0.00 52.86 51.87 3hpj s ASN 83 Cb -0.16 -0.25 0.09 0.00 -0.55 0.00 0.00 41.25 40.38 3hpj s ASN 83 CO 0.04 0.16 0.76 -2.28 -2.79 0.00 0.00 177.10 172.98 3hpj s HIS 84 N -1.29 -0.50 0.55 0.43 5.65 -1.26 -1.36 115.29 117.51 3hpj s HIS 84 Ca 0.17 0.56 0.29 0.00 0.25 0.00 0.00 55.06 56.33 3hpj s HIS 84 Cb -0.09 0.50 1.45 0.00 -1.18 0.00 0.00 32.58 33.26 3hpj s HIS 84 CO 0.08 -0.63 1.94 -0.24 -0.65 0.00 0.00 174.74 175.24 3hpj h VAL 85 N 2.36 0.58 0.00 0.89 3.04 -1.95 -2.40 116.25 118.78 3hpj h VAL 85 Ca -0.27 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 3hpj h VAL 85 Cb 1.22 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.14 3hpj h VAL 85 CO 0.35 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.26 3hpj n THR 86 N -4.19 0.29 -4.00 3.17 -2.24 -1.26 -4.75 114.28 101.31 3hpj n THR 86 Ca 0.13 0.04 -0.35 0.00 -2.27 0.00 0.00 64.05 61.60 3hpj n THR 86 Cb 0.75 -0.64 -0.12 0.00 -2.10 0.00 0.00 70.33 68.23 3hpj n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hpj s LEU 87 N -3.15 3.48 0.38 3.22 1.43 -0.90 -4.98 118.68 118.14 3hpj s LEU 87 Ca 0.12 -0.11 0.19 0.00 -1.03 0.00 0.00 54.13 53.30 3hpj s LEU 87 Cb 0.16 -1.89 0.69 0.00 0.03 0.00 0.00 46.19 45.18 3hpj s LEU 87 CO 0.47 0.08 1.74 0.77 0.23 0.00 0.00 176.35 179.63 3hpj h SER 88 N 7.40 0.00 -5.22 2.29 4.64 -1.85 -3.44 113.55 117.38 3hpj h SER 88 Ca -0.36 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.86 3hpj h SER 88 Cb 1.18 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.14 3hpj h SER 88 CO 0.63 0.36 -0.34 0.00 -0.87 0.00 0.00 176.83 176.61 3hpj s GLN 89 N -3.60 1.03 0.37 4.77 -2.07 -1.26 -5.14 119.66 113.77 3hpj s GLN 89 Ca 0.00 -1.08 -0.28 0.00 -1.82 0.00 0.00 55.36 52.18 3hpj s GLN 89 Cb 0.11 0.37 -0.11 0.00 -1.09 0.00 0.00 33.01 32.28 3hpj s GLN 89 CO 0.68 -0.36 1.50 -2.14 -1.32 0.00 0.00 175.29 173.65 3hpj s PRO 90 N -3.92 4.10 -0.25 9.60 0.02 -1.26 -4.93 135.00 138.36 3hpj s PRO 90 Ca 0.12 2.58 -0.11 0.00 0.02 0.00 0.00 61.00 63.61 3hpj s PRO 90 Cb 0.04 -2.97 -0.05 0.00 0.02 0.00 0.00 34.50 31.54 3hpj s PRO 90 CO -0.04 -0.55 0.20 0.21 -0.33 0.00 0.00 177.00 176.48 3hpj s LYS 91 N -1.92 4.04 -0.27 5.54 2.47 0.40 -4.88 119.74 125.13 3hpj s LYS 91 Ca 0.54 -0.23 -0.10 0.00 -1.56 0.00 0.00 55.97 54.62 3hpj s LYS 91 Cb -0.47 -3.58 -0.04 0.00 -1.46 0.00 0.00 37.83 32.28 3hpj s LYS 91 CO 0.62 -0.04 0.16 0.42 0.16 0.00 0.00 175.35 176.67 3hpj s ILE 92 N 1.34 5.05 -0.26 5.43 1.01 -1.26 -0.82 121.20 131.70 3hpj s ILE 92 Ca 0.09 0.08 -0.04 0.00 0.00 0.00 0.00 60.65 60.78 3hpj s ILE 92 Cb -0.14 -3.39 0.01 0.00 0.01 0.00 0.00 42.46 38.94 3hpj s ILE 92 CO 0.07 0.28 0.00 -0.69 0.00 0.00 0.00 174.94 174.61 3hpj s VAL 93 N 1.64 3.45 0.29 2.92 1.01 0.84 -4.96 120.40 125.59 3hpj s VAL 93 Ca 0.07 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 3hpj s VAL 93 Cb -0.16 -2.72 -0.10 0.00 0.00 0.00 0.00 36.38 33.40 3hpj s VAL 93 CO 0.08 0.20 1.31 -0.54 0.00 0.00 0.00 175.10 176.15 3hpj s LYS 94 N 1.43 4.38 0.05 2.72 1.02 -1.26 -1.11 119.74 126.96 3hpj s LYS 94 Ca 0.02 2.16 -0.31 0.00 0.02 0.00 0.00 55.97 57.87 3hpj s LYS 94 Cb -0.16 -3.11 -0.06 0.00 -0.52 0.00 0.00 37.83 33.97 3hpj s LYS 94 CO -0.01 -0.19 1.38 -0.46 -0.92 0.00 0.00 175.35 175.14 3hpj s TRP 95 N -0.77 3.05 -0.17 3.18 -0.00 0.40 -4.89 118.94 119.75 3hpj s TRP 95 Ca 0.51 0.92 0.01 0.00 -0.00 0.00 0.00 56.10 57.54 3hpj s TRP 95 Cb -0.39 -3.64 0.01 0.00 -0.00 0.00 0.00 33.47 29.45 3hpj s TRP 95 CO 0.48 -2.30 -0.19 0.34 -0.00 0.00 0.00 176.95 175.28 3hpj s ASP 96 N 1.52 3.28 0.64 5.86 -1.08 -1.26 -4.72 116.67 120.91 3hpj s ASP 96 Ca 0.64 -0.59 0.42 0.00 -0.52 0.00 0.00 52.55 52.49 3hpj s ASP 96 Cb -0.33 -1.50 2.21 0.00 -1.46 0.00 0.00 42.92 41.84 3hpj s ASP 96 CO 0.28 0.03 2.30 0.08 0.52 0.00 0.00 175.17 178.38 3hpj h ARG 97 N 7.69 0.00 -0.63 4.34 0.11 -1.95 -0.94 114.38 123.00 3hpj h ARG 97 Ca -0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.68 3hpj h ARG 97 Cb 1.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.24 3hpj h ARG 97 CO 0.60 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.42 3hpj n ASP 98 N -3.12 3.64 0.00 0.08 8.00 -1.26 -4.77 116.55 119.13 3hpj n ASP 98 Ca -0.02 -2.38 0.00 0.00 0.71 0.00 0.00 54.79 53.10 3hpj n ASP 98 Cb 0.12 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 3hpj n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04