#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hjd s ASP 9 N 0.00 0.69 0.41 0.00 1.47 -1.26 -4.67 116.67 113.31 1hjd s ASP 9 Ca 0.00 0.21 0.05 0.00 1.18 0.00 0.00 52.55 53.99 1hjd s ASP 9 Cb 0.00 0.09 -0.06 0.00 -0.34 0.00 0.00 42.92 42.61 1hjd s ASP 9 CO 0.00 -0.22 0.03 0.00 0.68 0.00 0.00 175.17 175.66 1hjd s ARG 10 N 1.97 1.94 0.03 2.11 3.03 -1.26 -2.37 118.95 124.40 1hjd s ARG 10 Ca 0.01 -2.13 -0.24 0.00 2.03 0.00 0.00 55.73 55.40 1hjd s ARG 10 Cb -0.12 -1.37 0.06 0.00 -1.03 0.00 0.00 34.95 32.48 1hjd s ARG 10 CO -0.05 -0.17 0.55 -1.59 -1.13 0.00 0.00 175.30 172.91 1hjd s LYS 11 N -3.78 1.04 0.11 3.89 -2.85 -0.55 -2.48 119.74 115.11 1hjd s LYS 11 Ca 0.29 -0.15 -0.20 0.00 -1.00 0.00 0.00 55.97 54.91 1hjd s LYS 11 Cb 0.08 0.48 -0.07 0.00 -2.06 0.00 0.00 37.83 36.25 1hjd s LYS 11 CO 0.14 -0.37 0.62 -0.51 0.10 0.00 0.00 175.35 175.33 1hjd s LEU 12 N -1.83 4.50 0.22 2.77 1.02 -1.25 0.18 118.68 124.28 1hjd s LEU 12 Ca -0.06 1.32 0.03 0.00 0.02 0.00 0.00 54.13 55.44 1hjd s LEU 12 Cb -0.01 -3.08 -0.05 0.00 0.02 0.00 0.00 46.19 43.08 1hjd s LEU 12 CO 0.00 0.22 -0.01 0.00 0.02 0.00 0.00 176.35 176.59 1hjd n ALA 14 N -0.38 5.90 -0.79 0.00 0.00 -1.24 -0.31 120.51 123.70 1hjd n ALA 14 Ca -0.05 -2.75 0.00 0.00 0.00 0.00 0.00 53.44 50.64 1hjd n ALA 14 Cb 0.64 -3.20 0.00 0.00 0.00 0.00 0.00 19.45 16.89 1hjd n ALA 14 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1hjd n ASP 15 N 4.12 -4.03 0.29 0.00 8.00 -1.26 -1.95 116.55 121.71 1hjd n ASP 15 Ca 0.59 0.00 0.20 0.00 0.71 0.00 0.00 54.79 56.29 1hjd n ASP 15 Cb 0.19 0.00 1.02 0.00 -0.02 0.00 0.00 41.12 42.31 1hjd n ASP 15 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 1hjd h GLN 16 N 0.00 0.00 0.18 -1.24 4.15 -1.97 -3.10 115.11 113.13 1hjd h GLN 16 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1hjd h GLN 16 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1hjd h GLN 16 CO 0.00 0.00 -0.09 1.49 -1.93 0.00 0.00 178.83 178.30 1hjd h GLU 17 N 0.00 -0.24 -3.43 1.69 4.81 -1.96 -3.47 114.58 111.98 1hjd h GLU 17 Ca 0.00 0.02 -0.41 0.00 -0.13 0.00 0.00 59.36 58.83 1hjd h GLU 17 Cb 0.05 0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.50 1hjd h GLU 17 CO 0.00 -0.16 -0.56 0.00 -0.73 0.00 0.00 179.01 177.56 1hjd n SER 19 N -2.14 2.57 -3.68 0.00 2.88 -1.26 -4.93 113.62 107.06 1hjd n SER 19 Ca -0.20 -3.87 -0.10 0.00 -1.33 0.00 0.00 58.87 53.37 1hjd n SER 19 Cb 0.67 -0.48 -0.09 0.00 -0.75 0.00 0.00 64.21 63.55 1hjd n SER 19 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1hjd s HIS 20 N -3.34 -0.75 0.46 0.66 3.76 -1.26 -5.15 115.29 109.66 1hjd s HIS 20 Ca 0.41 1.58 -0.23 0.00 -0.15 0.00 0.00 55.06 56.67 1hjd s HIS 20 Cb 0.38 0.38 -0.09 0.00 1.11 0.00 0.00 32.58 34.36 1hjd s HIS 20 CO -0.04 -0.40 1.02 -2.30 -0.85 0.00 0.00 174.74 172.17 1hjd n PRO 21 N 4.12 1.31 -0.03 8.40 -0.02 -1.26 -4.77 135.00 142.75 1hjd n PRO 21 Ca -0.21 0.48 -0.11 0.00 -2.02 0.00 0.00 63.50 61.64 1hjd n PRO 21 Cb 0.57 -2.09 -0.05 0.00 -0.02 0.00 0.00 33.50 31.91 1hjd n PRO 21 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1hjd h ILE 22 N 1.39 1.11 -0.92 4.25 6.09 -1.06 -3.28 117.51 125.10 1hjd h ILE 22 Ca -0.46 -0.32 0.00 0.00 -1.37 0.00 0.00 64.86 62.71 1hjd h ILE 22 Cb 1.34 1.05 0.00 0.00 0.47 0.00 0.00 36.82 39.68 1hjd h ILE 22 CO 0.56 0.11 0.00 -1.54 -3.07 0.00 0.00 178.15 174.20 1hjd n SER 23 N -4.91 0.00 -4.32 2.19 3.41 -1.02 -0.18 113.62 108.79 1hjd n SER 23 Ca -0.04 -0.83 -0.31 0.00 -0.26 0.00 0.00 58.87 57.43 1hjd n SER 23 Cb 0.08 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.88 1hjd n SER 23 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1hjd s MET 24 N -1.48 2.07 -0.12 4.33 1.75 0.29 -1.80 119.30 124.34 1hjd s MET 24 Ca 0.00 -0.95 -0.08 0.00 -1.25 0.00 0.00 55.69 53.41 1hjd s MET 24 Cb 0.00 -2.04 0.04 0.00 2.84 0.00 0.00 34.83 35.68 1hjd s MET 24 CO 0.00 0.55 0.30 0.00 -0.65 0.00 0.00 175.02 175.22 1hjd s ALA 25 N -0.64 -0.72 0.48 4.11 0.00 0.29 -1.96 121.76 123.32 1hjd s ALA 25 Ca 0.10 1.06 -0.05 0.00 0.00 0.00 0.00 51.96 53.07 1hjd s ALA 25 Cb -0.10 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 1hjd s ALA 25 CO -0.01 -0.19 0.79 0.08 0.00 0.00 0.00 175.76 176.43 1hjd s VAL 26 N 0.94 4.91 0.09 0.00 1.01 0.29 0.11 120.40 127.75 1hjd s VAL 26 Ca -0.06 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 1hjd s VAL 26 Cb -0.07 -3.87 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 1hjd s VAL 26 CO -0.07 -0.85 1.08 0.00 0.00 0.00 0.00 175.10 175.26 1hjd s ALA 27 N -2.75 3.31 -2.18 5.51 0.00 0.24 0.22 121.76 126.11 1hjd s ALA 27 Ca 0.47 0.72 0.19 0.00 0.00 0.00 0.00 51.96 53.35 1hjd s ALA 27 Cb -0.10 -3.37 0.53 0.00 0.00 0.00 0.00 23.12 20.18 1hjd s ALA 27 CO 0.45 -0.25 1.43 -0.11 0.00 0.00 0.00 175.76 177.27 1hjd n LEU 28 N 3.26 2.58 0.00 0.00 0.00 0.28 -3.80 117.00 119.32 1hjd n LEU 28 Ca 0.05 -1.20 0.00 0.00 0.00 0.00 0.00 56.01 54.86 1hjd n LEU 28 Cb 0.48 -0.25 0.00 0.00 0.00 0.00 0.00 43.42 43.64 1hjd n LEU 28 CO 0.53 0.60 0.00 0.00 0.00 0.00 0.00 177.39 178.52 1hjd n GLN 29 N 0.91 0.00 -3.60 1.96 6.02 -1.25 -4.87 117.38 116.56 1hjd n GLN 29 Ca 0.17 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.79 1hjd n GLN 29 Cb 0.44 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.60 1hjd n GLN 29 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1hjd s ASP 30 N 0.00 6.13 -0.29 1.08 -1.08 -1.26 -3.47 116.67 117.78 1hjd s ASP 30 Ca 0.00 0.12 -0.15 0.00 -0.52 0.00 0.00 52.55 52.01 1hjd s ASP 30 Cb 0.00 -2.13 0.10 0.00 -1.46 0.00 0.00 42.92 39.43 1hjd s ASP 30 CO 0.00 0.00 0.73 -0.72 0.52 0.00 0.00 175.17 175.70 1hjd s TYR 31 N 1.35 -1.05 0.17 -5.34 1.13 0.50 -4.92 117.35 109.19 1hjd s TYR 31 Ca 0.09 2.02 -0.31 0.00 -1.41 0.00 0.00 57.07 57.45 1hjd s TYR 31 Cb -0.14 0.63 -0.09 0.00 -1.10 0.00 0.00 41.96 41.25 1hjd s TYR 31 CO 0.07 -0.52 1.49 1.41 -2.51 0.00 0.00 175.55 175.49 1hjd s MET 32 N 1.89 4.26 -0.93 -3.49 1.75 -1.26 -1.64 119.30 119.87 1hjd s MET 32 Ca -0.09 2.27 -0.30 0.00 -1.25 0.00 0.00 55.69 56.32 1hjd s MET 32 Cb -0.06 -3.17 -0.21 0.00 2.84 0.00 0.00 34.83 34.23 1hjd s MET 32 CO -0.19 -0.52 2.56 0.00 -0.65 0.00 0.00 175.02 176.22 1hjd n ALA 33 N 3.63 0.27 -1.13 4.11 0.00 -1.26 -4.75 120.51 121.37 1hjd n ALA 33 Ca 0.12 -0.25 -0.32 0.00 0.00 0.00 0.00 53.44 52.99 1hjd n ALA 33 Cb 0.40 -2.16 -0.04 0.00 0.00 0.00 0.00 19.45 17.65 1hjd n ALA 33 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1hjd n PRO 34 N 8.08 3.13 -3.09 0.00 -0.04 -1.26 -4.38 135.00 137.44 1hjd n PRO 34 Ca 0.63 -1.89 0.04 0.00 -0.04 0.00 0.00 63.50 62.24 1hjd n PRO 34 Cb 0.03 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 30.86 1hjd n PRO 34 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1hjd s ASP 35 N 2.45 -0.69 0.00 3.54 -1.08 -1.26 -5.05 116.67 114.58 1hjd s ASP 35 Ca 0.62 -0.01 0.00 0.00 -0.52 0.00 0.00 52.55 52.63 1hjd s ASP 35 Cb 0.17 1.31 0.00 0.00 -1.46 0.00 0.00 42.92 42.94 1hjd s ASP 35 CO -0.05 -0.12 0.00 0.00 0.52 0.00 0.00 175.17 175.53 1hjd n ARG 37 N 0.00 0.38 -0.12 0.00 1.74 -1.26 -5.12 116.66 112.28 1hjd n ARG 37 Ca 0.00 -0.61 -0.17 0.00 -0.77 0.00 0.00 57.85 56.30 1hjd n ARG 37 Cb 0.00 0.37 0.16 0.00 -1.02 0.00 0.00 32.46 31.97 1hjd n ARG 37 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1hjd n PHE 38 N -0.43 -2.99 -2.70 -1.55 3.01 -0.79 -4.92 117.46 107.09 1hjd n PHE 38 Ca -0.13 -0.44 -0.42 0.00 1.01 0.00 0.00 57.45 57.47 1hjd n PHE 38 Cb 0.60 -0.68 -0.03 0.00 -0.01 0.00 0.00 39.48 39.37 1hjd n PHE 38 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1hjd s LEU 39 N 0.00 4.32 0.79 4.37 0.20 -1.26 -4.44 118.68 122.66 1hjd s LEU 39 Ca 0.36 1.62 -0.11 0.00 0.69 0.00 0.00 54.13 56.69 1hjd s LEU 39 Cb -0.06 -3.56 0.08 0.00 -0.43 0.00 0.00 46.19 42.21 1hjd s LEU 39 CO 0.31 -0.33 1.15 0.28 -0.29 0.00 0.00 176.35 177.46 1hjd s THR 40 N 1.39 2.05 0.13 3.68 -1.32 -1.26 -4.24 115.64 116.07 1hjd s THR 40 Ca 0.51 -0.05 0.07 0.00 -1.21 0.00 0.00 61.69 61.01 1hjd s THR 40 Cb -0.20 -3.00 -0.04 0.00 -1.51 0.00 0.00 72.50 67.75 1hjd s THR 40 CO 0.24 0.00 -0.16 -0.63 -2.21 0.00 0.00 174.62 171.86 1hjd s ILE 41 N -3.52 1.53 -0.04 5.08 1.01 -0.65 -4.86 121.20 119.75 1hjd s ILE 41 Ca 0.62 -1.72 -0.02 0.00 0.00 0.00 0.00 60.65 59.52 1hjd s ILE 41 Cb -0.11 -1.60 0.02 0.00 0.01 0.00 0.00 42.46 40.78 1hjd s ILE 41 CO 0.48 -0.31 0.09 -2.28 0.00 0.00 0.00 174.94 172.91 1hjd s HIS 42 N -1.89 -0.09 0.94 3.97 2.46 -1.23 -0.37 115.29 119.09 1hjd s HIS 42 Ca 0.10 0.26 -0.16 0.00 0.47 0.00 0.00 55.06 55.72 1hjd s HIS 42 Cb -0.06 -0.04 -0.11 0.00 -0.13 0.00 0.00 32.58 32.24 1hjd s HIS 42 CO 0.04 -0.08 -0.46 0.54 -2.47 0.00 0.00 174.74 172.32 1hjd n ARG 43 N 3.47 -0.05 -2.44 2.88 5.12 -1.23 -1.87 116.66 122.54 1hjd n ARG 43 Ca -0.18 -0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.71 1hjd n ARG 43 Cb 0.56 -1.21 -0.00 0.00 -1.16 0.00 0.00 32.46 30.66 1hjd n ARG 43 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1hjd n GLY 44 N 2.95 -0.47 3.25 -0.13 0.00 -1.25 -4.90 105.19 104.65 1hjd n GLY 44 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1hjd n GLY 44 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1hjd s GLN 45 N -4.92 3.26 0.66 1.61 0.74 -0.78 -4.93 119.66 115.30 1hjd s GLN 45 Ca 0.00 -0.69 -0.15 0.00 0.05 0.00 0.00 55.36 54.57 1hjd s GLN 45 Cb 0.00 -2.88 -0.00 0.00 1.10 0.00 0.00 33.01 31.23 1hjd s GLN 45 CO 0.00 -0.20 1.11 0.08 -0.55 0.00 0.00 175.29 175.73 1hjd s VAL 46 N 1.41 3.28 0.00 1.34 1.01 -1.26 0.82 120.40 127.00 1hjd s VAL 46 Ca 0.05 0.59 -0.10 0.00 0.00 0.00 0.00 61.98 62.53 1hjd s VAL 46 Cb -0.14 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.13 1hjd s VAL 46 CO -0.06 -0.37 0.20 -0.69 0.00 0.00 0.00 175.10 174.18 1hjd s VAL 47 N -2.35 0.08 -0.39 2.92 1.01 0.31 -0.93 120.40 121.05 1hjd s VAL 47 Ca 0.67 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1hjd s VAL 47 Cb -0.20 -0.53 0.11 0.00 0.00 0.00 0.00 36.38 35.75 1hjd s VAL 47 CO 0.41 -0.35 0.14 -0.31 0.00 0.00 0.00 175.10 174.99 1hjd s TYR 48 N -1.47 3.65 0.10 5.22 2.02 0.29 0.10 117.35 127.27 1hjd s TYR 48 Ca -0.14 -2.73 -0.31 0.00 -0.37 0.00 0.00 57.07 53.52 1hjd s TYR 48 Cb -0.06 -3.07 -0.07 0.00 -0.40 0.00 0.00 41.96 38.35 1hjd s TYR 48 CO 0.02 -0.95 1.37 0.08 -1.57 0.00 0.00 175.55 174.50 1hjd s VAL 49 N 0.94 3.44 -0.10 0.71 1.01 -0.74 -1.89 120.40 123.76 1hjd s VAL 49 Ca 0.10 1.02 0.20 0.00 0.00 0.00 0.00 61.98 63.30 1hjd s VAL 49 Cb -0.21 -3.65 -0.29 0.00 0.00 0.00 0.00 36.38 32.23 1hjd s VAL 49 CO -0.06 0.07 0.36 0.33 0.00 0.00 0.00 175.10 175.80 1hjd n PHE 50 N 4.11 0.08 -3.73 5.22 7.35 0.08 -0.75 117.46 129.81 1hjd n PHE 50 Ca 0.11 0.03 -0.05 0.00 -0.76 0.00 0.00 57.45 56.78 1hjd n PHE 50 Cb 0.43 -0.73 -0.02 0.00 0.35 0.00 0.00 39.48 39.51 1hjd n PHE 50 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1hjd s SER 51 N -4.97 -0.24 -0.48 -2.13 0.15 -0.56 -3.90 113.70 101.57 1hjd s SER 51 Ca -0.08 -0.39 0.04 0.00 0.70 0.00 0.00 55.95 56.22 1hjd s SER 51 Cb 0.11 0.54 0.16 0.00 -1.71 0.00 0.00 66.02 65.12 1hjd s SER 51 CO 0.87 -0.98 0.35 -0.54 1.20 0.00 0.00 173.24 174.14 1hjd s LYS 52 N -3.45 1.27 0.04 5.44 1.02 -1.26 -0.06 119.74 122.74 1hjd s LYS 52 Ca 0.10 -2.31 -0.30 0.00 0.02 0.00 0.00 55.97 53.48 1hjd s LYS 52 Cb -0.02 -1.96 -0.07 0.00 -0.52 0.00 0.00 37.83 35.26 1hjd s LYS 52 CO 0.01 -1.33 1.48 -1.17 -0.92 0.00 0.00 175.35 173.42 1hjd s LEU 53 N -0.17 4.34 -0.20 3.17 0.20 -1.26 -3.88 118.68 120.89 1hjd s LEU 53 Ca 0.28 2.26 0.13 0.00 0.69 0.00 0.00 54.13 57.50 1hjd s LEU 53 Cb -0.03 -3.57 0.40 0.00 -0.43 0.00 0.00 46.19 42.56 1hjd s LEU 53 CO -0.15 -0.76 1.24 0.29 -0.29 0.00 0.00 176.35 176.68 1hjd n LYS 54 N 5.22 1.59 -1.18 1.98 5.02 -1.12 -4.16 118.16 125.52 1hjd n LYS 54 Ca 0.14 -3.07 -0.41 0.00 -2.02 0.00 0.00 58.31 52.94 1hjd n LYS 54 Cb 0.42 -1.62 -0.07 0.00 -0.02 0.00 0.00 35.03 33.74 1hjd n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hjd n GLY 55 N -1.18 2.03 2.27 0.72 0.00 -1.03 -3.70 105.19 104.29 1hjd n GLY 55 Ca 0.20 -1.13 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 1hjd n GLY 55 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1hjd n ARG 56 N 7.33 -1.14 -2.68 1.61 3.00 -1.26 -4.81 116.66 118.70 1hjd n ARG 56 Ca 0.48 0.69 -0.05 0.00 -0.00 0.00 0.00 57.85 58.97 1hjd n ARG 56 Cb 0.42 -4.98 0.07 0.00 0.00 0.00 0.00 32.46 27.96 1hjd n ARG 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1hjd n GLY 57 N -1.01 -0.06 0.39 5.14 0.00 -1.24 -4.98 105.19 103.42 1hjd n GLY 57 Ca -0.17 0.13 0.18 0.00 0.00 0.00 0.00 46.02 46.16 1hjd n GLY 57 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1hjd h ARG 58 N 1.88 0.00 0.00 1.61 1.12 -1.78 0.32 114.38 117.53 1hjd h ARG 58 Ca -0.37 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.50 1hjd h ARG 58 Cb 1.23 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.19 1hjd h ARG 58 CO -0.08 0.00 0.00 1.47 -3.11 0.00 0.00 179.97 178.25 1hjd n LEU 59 N -3.25 0.00 -3.93 3.80 -0.00 -1.26 -4.17 117.00 108.19 1hjd n LEU 59 Ca 0.06 0.11 -0.30 0.00 -0.00 0.00 0.00 56.01 55.88 1hjd n LEU 59 Cb 0.72 -0.11 -0.14 0.00 -0.00 0.00 0.00 43.42 43.90 1hjd n LEU 59 CO 0.19 -0.06 -0.18 0.12 -0.00 0.00 0.00 177.39 177.46 1hjd s PHE 60 N -2.22 3.10 0.17 1.47 5.36 0.11 -1.51 117.98 124.47 1hjd s PHE 60 Ca 0.18 -3.13 -0.06 0.00 -0.96 0.00 0.00 56.93 52.96 1hjd s PHE 60 Cb 0.10 -2.75 -0.06 0.00 -0.34 0.00 0.00 43.02 39.97 1hjd s PHE 60 CO 0.18 -0.74 0.43 -1.58 -1.46 0.00 0.00 175.22 172.05 1hjd s TRP 61 N -0.28 3.46 -0.20 10.12 0.52 0.92 -3.98 118.94 129.49 1hjd s TRP 61 Ca 0.17 0.65 -0.18 0.00 0.02 0.00 0.00 56.10 56.76 1hjd s TRP 61 Cb -0.25 -2.08 -0.03 0.00 -1.15 0.00 0.00 33.47 29.95 1hjd s TRP 61 CO -0.00 0.38 0.50 0.20 0.02 0.00 0.00 176.95 178.05 1hjd s GLY 62 N -2.42 2.08 0.06 0.98 0.00 0.91 0.10 107.32 109.04 1hjd s GLY 62 Ca 0.43 -0.42 -0.02 0.00 0.00 0.00 0.00 44.72 44.70 1hjd s GLY 62 CO 0.24 1.04 0.13 0.61 0.00 0.00 0.00 173.10 175.11 1hjd n GLY 63 N 3.90 1.84 3.53 0.20 0.00 -0.15 -0.74 105.19 113.77 1hjd n GLY 63 Ca -0.05 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 1hjd n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hjd s SER 64 N -1.34 -0.76 0.32 1.61 1.04 -0.79 -1.02 113.70 112.76 1hjd s SER 64 Ca 0.03 1.31 -0.27 0.00 0.48 0.00 0.00 55.95 57.49 1hjd s SER 64 Cb -0.01 1.23 -0.09 0.00 0.10 0.00 0.00 66.02 67.25 1hjd s SER 64 CO 0.02 -0.22 1.09 0.68 0.98 0.00 0.00 173.24 175.78 1hjd s VAL 65 N 1.15 3.54 0.39 5.02 -7.23 -1.26 0.11 120.40 122.11 1hjd s VAL 65 Ca -0.07 1.41 -0.27 0.00 -1.81 0.00 0.00 61.98 61.24 1hjd s VAL 65 Cb -0.05 -3.85 -0.11 0.00 0.56 0.00 0.00 36.38 32.93 1hjd s VAL 65 CO -0.12 0.24 1.41 0.00 -0.31 0.00 0.00 175.10 176.32 1hjd n GLN 66 N 0.73 2.39 0.00 4.82 6.02 -0.10 -4.84 117.38 126.40 1hjd n GLN 66 Ca 0.01 0.84 0.00 0.00 -0.01 0.00 0.00 57.00 57.84 1hjd n GLN 66 Cb 0.46 -2.55 0.00 0.00 1.02 0.00 0.00 30.24 29.18 1hjd n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1hjd n GLY 67 N 0.59 0.14 3.64 1.08 0.00 -1.26 -4.91 105.19 104.48 1hjd n GLY 67 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 1hjd n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hjd s ASP 68 N 0.93 -0.63 -0.76 1.61 1.01 -1.26 -5.06 116.67 112.50 1hjd s ASP 68 Ca 0.00 1.06 0.01 0.00 0.71 0.00 0.00 52.55 54.32 1hjd s ASP 68 Cb 0.00 1.21 0.36 0.00 1.01 0.00 0.00 42.92 45.50 1hjd s ASP 68 CO 0.00 -0.17 1.66 -1.22 0.21 0.00 0.00 175.17 175.65 1hjd n TYR 69 N 3.52 3.15 -3.62 4.23 4.02 -1.26 -4.49 117.16 122.72 1hjd n TYR 69 Ca -0.18 -2.73 -0.28 0.00 -0.01 0.00 0.00 57.90 54.71 1hjd n TYR 69 Cb 0.57 -0.86 -0.11 0.00 -0.02 0.00 0.00 39.34 38.92 1hjd n TYR 69 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1hjd s TYR 70 N -3.94 2.01 -1.24 -0.72 6.14 -1.26 -4.89 117.35 113.45 1hjd s TYR 70 Ca 0.48 -2.62 -0.00 0.00 0.64 0.00 0.00 57.07 55.57 1hjd s TYR 70 Cb 0.36 -1.66 -0.00 0.00 0.42 0.00 0.00 41.96 41.08 1hjd s TYR 70 CO -0.28 -0.73 0.88 0.41 0.64 0.00 0.00 175.55 176.47 1hjd n GLY 71 N 2.77 -0.35 0.00 8.97 0.00 -1.26 -4.91 105.19 110.42 1hjd n GLY 71 Ca 0.22 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1hjd n GLY 71 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1hjd n ASP 72 N -3.10 0.00 -4.28 1.61 2.03 -1.26 -5.12 116.55 106.43 1hjd n ASP 72 Ca -0.29 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.61 1hjd n ASP 72 Cb 0.67 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.98 1hjd n ASP 72 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1hjd s LEU 73 N 0.00 5.32 0.00 -2.67 1.98 -1.26 -4.76 118.68 117.29 1hjd s LEU 73 Ca 0.00 -1.54 0.00 0.00 -2.89 0.00 0.00 54.13 49.70 1hjd s LEU 73 Cb 0.00 -2.02 0.00 0.00 0.66 0.00 0.00 46.19 44.83 1hjd s LEU 73 CO 0.00 -0.58 0.00 0.00 -1.89 0.00 0.00 176.35 173.88 1hjd n ALA 74 N 4.97 0.00 -2.41 5.97 0.00 -1.26 -5.18 120.51 122.60 1hjd n ALA 74 Ca -0.10 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.15 1hjd n ALA 74 Cb 0.43 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.87 1hjd n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hjd s ALA 75 N 0.00 4.27 -0.48 0.00 0.00 -1.26 -5.07 121.76 119.21 1hjd s ALA 75 Ca 0.00 -1.48 -0.21 0.00 0.00 0.00 0.00 51.96 50.27 1hjd s ALA 75 Cb 0.00 -1.68 0.04 0.00 0.00 0.00 0.00 23.12 21.47 1hjd s ALA 75 CO 0.00 -0.07 0.73 1.03 0.00 0.00 0.00 175.76 177.45 1hjd s ARG 76 N -4.20 3.27 0.28 0.00 1.81 -1.26 -5.02 118.95 113.82 1hjd s ARG 76 Ca 0.46 -0.44 -0.30 0.00 -1.72 0.00 0.00 55.73 53.73 1hjd s ARG 76 Cb -0.10 -4.01 -0.12 0.00 -0.45 0.00 0.00 34.95 30.28 1hjd s ARG 76 CO 0.31 -1.19 1.62 1.28 -0.68 0.00 0.00 175.30 176.64 1hjd n LEU 77 N 6.59 4.28 0.00 2.53 4.77 -1.26 -4.91 117.00 129.00 1hjd n LEU 77 Ca -0.01 1.13 -0.18 0.00 -0.03 0.00 0.00 56.01 56.92 1hjd n LEU 77 Cb 0.47 -1.59 -0.04 0.00 -2.33 0.00 0.00 43.42 39.93 1hjd n LEU 77 CO 0.57 0.15 -0.13 0.61 -1.33 0.00 0.00 177.39 177.27 1hjd n GLY 78 N 2.50 3.72 3.18 -0.72 0.00 -0.19 -4.96 105.19 108.72 1hjd n GLY 78 Ca 0.10 -2.20 -0.28 0.00 0.00 0.00 0.00 46.02 43.64 1hjd n GLY 78 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hjd s TYR 79 N -2.27 1.99 0.01 1.61 1.51 -1.26 -0.97 117.35 117.97 1hjd s TYR 79 Ca 0.05 -0.61 -0.28 0.00 -1.01 0.00 0.00 57.07 55.22 1hjd s TYR 79 Cb 0.00 -1.33 0.07 0.00 -0.11 0.00 0.00 41.96 40.58 1hjd s TYR 79 CO 0.04 -0.21 0.63 -0.59 -1.11 0.00 0.00 175.55 174.30 1hjd s PHE 80 N 0.04 -0.59 0.45 2.71 -0.12 0.29 -4.71 117.98 116.05 1hjd s PHE 80 Ca -0.06 0.85 -0.24 0.00 -0.05 0.00 0.00 56.93 57.43 1hjd s PHE 80 Cb -0.13 0.42 -0.08 0.00 -0.63 0.00 0.00 43.02 42.60 1hjd s PHE 80 CO 0.03 -0.65 1.30 -1.25 -0.05 0.00 0.00 175.22 174.60 1hjd s PRO 81 N -1.86 3.74 0.34 1.99 0.04 -0.57 -0.06 135.00 138.61 1hjd s PRO 81 Ca -0.08 2.12 0.18 0.00 0.04 0.00 0.00 61.00 63.26 1hjd s PRO 81 Cb -0.00 -2.58 0.37 0.00 0.04 0.00 0.00 34.50 32.33 1hjd s PRO 81 CO 0.04 -0.67 1.59 1.03 0.04 0.00 0.00 177.00 179.02 1hjd h SER 82 N 2.28 0.00 0.04 6.66 0.87 -1.84 -3.16 113.55 118.40 1hjd h SER 82 Ca -0.50 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.06 1hjd h SER 82 Cb 1.26 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1hjd h SER 82 CO 0.61 0.40 -0.01 -1.28 -0.53 0.00 0.00 176.83 176.03 1hjd h SER 83 N 0.00 0.00 -0.74 6.23 0.87 -1.93 -1.30 113.55 116.68 1hjd h SER 83 Ca -0.00 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.28 1hjd h SER 83 Cb 1.14 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 62.94 1hjd h SER 83 CO 0.05 0.01 0.35 0.00 -0.53 0.00 0.00 176.83 176.70 1hjd n ILE 84 N -3.43 2.79 -3.98 2.23 0.13 -1.19 -4.90 119.36 111.00 1hjd n ILE 84 Ca -0.03 -1.54 -0.12 0.00 -1.10 0.00 0.00 62.75 59.96 1hjd n ILE 84 Cb 0.09 -0.43 -0.03 0.00 -0.84 0.00 0.00 39.64 38.43 1hjd n ILE 84 CO 0.00 0.00 0.00 1.33 2.80 0.00 0.00 176.55 180.68 1hjd n VAL 85 N -0.34 0.00 -3.53 9.51 0.24 -0.49 1.00 118.33 124.72 1hjd n VAL 85 Ca 0.42 -1.47 -0.22 0.00 -2.04 0.00 0.00 64.34 61.04 1hjd n VAL 85 Cb 1.38 0.88 -0.14 0.00 -1.47 0.00 0.00 33.84 34.48 1hjd n VAL 85 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1hjd s ARG 86 N -2.68 0.15 -0.14 7.34 3.52 0.58 -4.57 118.95 123.16 1hjd s ARG 86 Ca 0.24 0.04 -0.29 0.00 -0.13 0.00 0.00 55.73 55.59 1hjd s ARG 86 Cb -0.01 -1.39 -0.02 0.00 -1.56 0.00 0.00 34.95 31.98 1hjd s ARG 86 CO 0.17 -0.70 1.26 -1.21 -0.81 0.00 0.00 175.30 174.00 1hjd s GLU 87 N 2.25 4.25 -0.06 5.12 2.02 -1.26 0.10 118.70 131.12 1hjd s GLU 87 Ca 0.06 1.67 -0.03 0.00 0.02 0.00 0.00 54.97 56.68 1hjd s GLU 87 Cb -0.16 -3.72 -0.03 0.00 0.10 0.00 0.00 34.13 30.32 1hjd s GLU 87 CO -0.14 -0.66 -0.08 -0.25 0.02 0.00 0.00 175.26 174.15 1hjd n ASP 88 N 6.33 0.53 -4.80 -0.19 8.00 -0.83 -4.96 116.55 120.63 1hjd n ASP 88 Ca 0.13 0.08 -0.27 0.00 0.71 0.00 0.00 54.79 55.43 1hjd n ASP 88 Cb 0.45 -0.19 -0.06 0.00 -0.02 0.00 0.00 41.12 41.31 1hjd n ASP 88 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1hjd s GLN 89 N -2.12 2.94 0.03 -1.24 0.74 -1.22 -4.99 119.66 113.80 1hjd s GLN 89 Ca -0.09 -0.79 0.01 0.00 0.05 0.00 0.00 55.36 54.54 1hjd s GLN 89 Cb 0.03 -2.70 -0.02 0.00 1.10 0.00 0.00 33.01 31.42 1hjd s GLN 89 CO 0.11 0.51 -0.05 0.95 -0.55 0.00 0.00 175.29 176.26 1hjd s THR 90 N -1.64 0.31 -0.34 -0.34 -4.23 -1.26 0.10 115.64 108.24 1hjd s THR 90 Ca 0.31 -0.97 0.14 0.00 -1.18 0.00 0.00 61.69 59.99 1hjd s THR 90 Cb -0.11 -0.42 0.42 0.00 1.34 0.00 0.00 72.50 73.74 1hjd s THR 90 CO 0.23 -0.43 1.45 -0.11 -0.54 0.00 0.00 174.62 175.22 1hjd n LEU 91 N 1.57 -1.08 -4.45 4.79 0.00 -1.06 -4.89 117.00 111.88 1hjd n LEU 91 Ca -0.23 -3.25 -0.44 0.00 0.00 0.00 0.00 56.01 52.09 1hjd n LEU 91 Cb 0.55 0.14 -0.06 0.00 0.00 0.00 0.00 43.42 44.05 1hjd n LEU 91 CO 0.20 1.66 0.42 -1.59 0.00 0.00 0.00 177.39 178.09 1hjd s LYS 92 N -0.44 3.15 0.34 1.96 0.00 0.74 -4.43 119.74 121.06 1hjd s LYS 92 Ca 0.14 -0.82 0.17 0.00 0.00 0.00 0.00 55.97 55.46 1hjd s LYS 92 Cb 0.43 -4.11 0.49 0.00 0.00 0.00 0.00 37.83 34.63 1hjd s LYS 92 CO -0.11 -1.31 1.64 -1.00 0.00 0.00 0.00 175.35 174.57 1hjd h PRO 93 N 9.08 0.00 -4.23 1.78 0.13 -1.86 -3.46 132.00 133.44 1hjd h PRO 93 Ca -0.27 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.70 1hjd h PRO 93 Cb 1.09 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.08 1hjd h PRO 93 CO 1.00 0.44 -0.53 0.20 -0.23 0.00 0.00 178.00 178.89 1hjd s GLY 94 N -4.40 0.80 -0.36 1.56 0.00 -1.26 -4.86 107.32 98.80 1hjd s GLY 94 Ca 0.01 -1.26 0.13 0.00 0.00 0.00 0.00 44.72 43.60 1hjd s GLY 94 CO 0.71 -1.17 1.19 0.58 0.00 0.00 0.00 173.10 174.40 1hjd n LYS 95 N -0.14 1.19 -3.38 2.90 2.85 -0.93 -3.70 118.16 116.97 1hjd n LYS 95 Ca -0.06 -2.44 -0.38 0.00 -1.05 0.00 0.00 58.31 54.38 1hjd n LYS 95 Cb 0.63 -0.56 -0.06 0.00 -0.65 0.00 0.00 35.03 34.39 1hjd n LYS 95 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1hjd s VAL 96 N -1.28 4.87 0.53 0.58 1.01 0.58 -4.69 120.40 122.01 1hjd s VAL 96 Ca 0.24 1.00 -0.19 0.00 0.00 0.00 0.00 61.98 63.03 1hjd s VAL 96 Cb 0.42 -3.80 -0.06 0.00 0.00 0.00 0.00 36.38 32.94 1hjd s VAL 96 CO -0.04 0.50 1.07 -0.62 0.00 0.00 0.00 175.10 176.01 1hjd s ASP 97 N -1.22 6.01 -0.25 3.32 2.15 -1.26 0.10 116.67 125.52 1hjd s ASP 97 Ca 0.29 1.96 -0.03 0.00 0.43 0.00 0.00 52.55 55.20 1hjd s ASP 97 Cb -0.18 -2.56 0.11 0.00 -0.30 0.00 0.00 42.92 40.00 1hjd s ASP 97 CO 0.17 -1.01 0.23 -0.69 -0.17 0.00 0.00 175.17 173.70 1hjd s VAL 98 N -2.07 -0.31 -0.83 1.11 1.01 0.48 -4.84 120.40 114.96 1hjd s VAL 98 Ca 0.67 -0.37 -0.25 0.00 0.00 0.00 0.00 61.98 62.04 1hjd s VAL 98 Cb -0.18 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1hjd s VAL 98 CO 0.27 -0.40 1.91 -1.59 0.00 0.00 0.00 175.10 175.29 1hjd s LYS 99 N 2.30 2.61 0.81 2.72 0.00 -1.26 -1.49 119.74 125.42 1hjd s LYS 99 Ca 0.08 -0.07 -0.12 0.00 0.00 0.00 0.00 55.97 55.86 1hjd s LYS 99 Cb -0.15 -4.88 0.08 0.00 0.00 0.00 0.00 37.83 32.88 1hjd s LYS 99 CO -0.24 -3.17 1.15 -0.08 0.00 0.00 0.00 175.35 173.01 1hjd s THR 100 N 9.65 2.31 0.82 3.79 -1.32 -1.00 -4.94 115.64 124.95 1hjd s THR 100 Ca 0.68 0.10 -0.11 0.00 -1.21 0.00 0.00 61.69 61.15 1hjd s THR 100 Cb -0.08 -3.04 0.09 0.00 -1.51 0.00 0.00 72.50 67.96 1hjd s THR 100 CO 0.05 -0.13 1.09 -1.81 -2.21 0.00 0.00 174.62 171.61 1hjd s ASP 101 N -4.41 4.14 -0.12 8.08 1.01 -1.26 -4.50 116.67 119.61 1hjd s ASP 101 Ca 0.62 1.51 -0.06 0.00 0.71 0.00 0.00 52.55 55.33 1hjd s ASP 101 Cb -0.12 -2.23 -0.02 0.00 1.01 0.00 0.00 42.92 41.56 1hjd s ASP 101 CO 0.51 -2.22 -0.11 0.11 0.21 0.00 0.00 175.17 173.67 1hjd h LYS 102 N -1.26 0.00 -0.09 8.23 1.57 -1.93 -3.36 116.57 119.72 1hjd h LYS 102 Ca -0.47 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.34 1hjd h LYS 102 Cb 1.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 1hjd h LYS 102 CO 0.55 0.00 0.27 -1.49 -0.57 0.00 0.00 179.45 178.21 1hjd h TRP 103 N -0.98 0.00 0.00 -1.35 4.06 -2.03 -3.08 115.95 112.58 1hjd h TRP 103 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1hjd h TRP 103 Cb 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.47 1hjd h TRP 103 CO -0.13 0.00 0.00 -0.25 -3.56 0.00 0.00 178.44 174.50 1hjd n ASP 104 N -3.21 0.00 -4.54 -3.49 8.00 -1.26 -4.29 116.55 107.76 1hjd n ASP 104 Ca -0.00 0.86 -0.43 0.00 0.71 0.00 0.00 54.79 55.92 1hjd n ASP 104 Cb 0.35 -0.36 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 1hjd n ASP 104 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1hjd s PHE 105 N -2.42 2.87 -0.12 1.24 0.08 -1.16 -4.99 117.98 113.48 1hjd s PHE 105 Ca 0.00 0.19 -0.24 0.00 0.12 0.00 0.00 56.93 57.01 1hjd s PHE 105 Cb 0.00 -3.99 0.06 0.00 -0.57 0.00 0.00 43.02 38.52 1hjd s PHE 105 CO 0.00 -1.20 0.58 -0.47 -0.10 0.00 0.00 175.22 174.03 1hjd s TYR 106 N 3.80 -0.57 0.25 0.36 5.04 -1.26 -4.97 117.35 119.99 1hjd s TYR 106 Ca 0.34 1.18 -0.31 0.00 -2.44 0.00 0.00 57.07 55.83 1hjd s TYR 106 Cb -0.11 0.27 -0.12 0.00 0.35 0.00 0.00 41.96 42.35 1hjd s TYR 106 CO 0.23 -0.45 1.65 0.00 -1.34 0.00 0.00 175.55 175.65