#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 4.92 0.22 0.00 -1.08 -1.26 -4.64 116.67 114.83 1hjd s ASP 9 Ca 0.00 -3.63 0.06 0.00 -0.52 0.00 0.00 52.55 48.47 1hjd s ASP 9 Cb 0.00 -1.69 -0.05 0.00 -1.46 0.00 0.00 42.92 39.72 1hjd s ASP 9 CO 0.00 -0.14 -0.10 -0.13 0.52 0.00 0.00 175.17 175.32 1hjd s ARG 10 N -1.15 1.36 -0.00 4.34 3.00 -1.26 -1.93 118.95 123.31 1hjd s ARG 10 Ca 0.23 -1.64 -0.09 0.00 0.00 0.00 0.00 55.73 54.24 1hjd s ARG 10 Cb -0.10 -1.00 0.01 0.00 0.00 0.00 0.00 34.95 33.85 1hjd s ARG 10 CO -0.12 0.09 0.17 -1.59 0.00 0.00 0.00 175.30 173.85 1hjd s LYS 11 N -3.71 0.52 0.06 3.54 -2.85 0.11 -2.13 119.74 115.28 1hjd s LYS 11 Ca 0.24 -0.36 -0.21 0.00 -1.00 0.00 0.00 55.97 54.65 1hjd s LYS 11 Cb 0.02 0.22 -0.06 0.00 -2.06 0.00 0.00 37.83 35.94 1hjd s LYS 11 CO 0.08 -0.13 0.62 -0.51 0.10 0.00 0.00 175.35 175.51 1hjd s LEU 12 N -1.37 4.50 0.23 2.77 1.02 -0.98 0.19 118.68 125.04 1hjd s LEU 12 Ca -0.14 1.30 0.04 0.00 0.02 0.00 0.00 54.13 55.34 1hjd s LEU 12 Cb -0.07 -2.98 -0.05 0.00 0.02 0.00 0.00 46.19 43.11 1hjd s LEU 12 CO 0.02 0.20 -0.01 0.00 0.02 0.00 0.00 176.35 176.58 1hjd n ALA 14 N -0.41 5.80 -0.69 0.00 0.00 -1.24 -0.56 120.51 123.41 1hjd n ALA 14 Ca -0.05 -2.73 0.00 0.00 0.00 0.00 0.00 53.44 50.65 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 -3.47 0.00 0.00 0.00 177.50 174.03 1hjd n ASP 15 N 4.20 -3.28 0.21 0.00 -0.08 -1.26 -2.34 116.55 114.00 1hjd n ASP 15 Ca 0.59 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 54.01 1hjd n ASP 15 Cb 0.19 0.00 0.73 0.00 2.34 0.00 0.00 41.12 44.39 1hjd n ASP 15 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1hjd h GLN 16 N 0.00 0.00 0.31 -0.67 4.15 -1.97 -3.13 115.11 113.81 1hjd h GLN 16 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 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 -0.15 0.93 -1.93 0.00 0.00 178.83 177.68 1hjd h GLU 17 N 0.00 -0.40 -3.13 1.69 5.08 -1.96 -3.47 114.58 112.39 1hjd h GLU 17 Ca 0.00 0.03 -0.42 0.00 -1.00 0.00 0.00 59.36 57.97 1hjd h GLU 17 Cb 0.14 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1hjd h GLU 17 CO 0.00 -0.27 -0.54 0.00 -1.00 0.00 0.00 179.01 177.20 1hjd n SER 19 N -2.04 1.05 -4.89 0.00 2.88 -1.26 -4.94 113.62 104.42 1hjd n SER 19 Ca -0.23 -0.02 -0.33 0.00 -1.33 0.00 0.00 58.87 56.96 1hjd n SER 19 Cb 0.68 0.20 -0.05 0.00 -0.75 0.00 0.00 64.21 64.29 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 -2.52 3.55 1.11 0.66 3.76 -1.26 -5.10 115.29 115.49 1hjd s HIS 20 Ca -0.21 0.52 -0.17 0.00 -0.15 0.00 0.00 55.06 55.05 1hjd s HIS 20 Cb 0.07 -1.96 0.25 0.00 1.11 0.00 0.00 32.58 32.05 1hjd s HIS 20 CO 0.73 0.57 1.13 -1.25 -0.85 0.00 0.00 174.74 175.08 1hjd s PRO 21 N -2.04 -0.49 -0.00 8.40 0.04 -1.26 -4.64 135.00 135.00 1hjd s PRO 21 Ca 0.31 0.04 -0.21 0.00 0.04 0.00 0.00 61.00 61.18 1hjd s PRO 21 Cb -0.13 -1.67 -0.22 0.00 0.04 0.00 0.00 34.50 32.52 1hjd s PRO 21 CO 0.19 -3.25 1.12 0.97 0.04 0.00 0.00 177.00 176.08 1hjd h ILE 22 N -2.25 1.45 -0.87 0.56 6.09 0.32 -3.19 117.51 119.62 1hjd h ILE 22 Ca -0.47 -1.94 0.00 0.00 -1.37 0.00 0.00 64.86 61.07 1hjd h ILE 22 Cb 1.30 2.53 0.00 0.00 0.47 0.00 0.00 36.82 41.12 1hjd h ILE 22 CO 0.42 0.56 0.00 -1.54 -3.07 0.00 0.00 178.15 174.52 1hjd n SER 23 N -4.33 0.00 -4.07 2.19 3.41 -1.23 -1.73 113.62 107.87 1hjd n SER 23 Ca -0.09 -0.77 -0.27 0.00 -0.26 0.00 0.00 58.87 57.48 1hjd n SER 23 Cb 0.59 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.37 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 -1.30 2.03 -0.01 4.33 1.75 0.24 -2.60 119.30 123.74 1hjd s MET 24 Ca 0.00 -0.52 -0.02 0.00 -1.25 0.00 0.00 55.69 53.90 1hjd s MET 24 Cb 0.00 -1.64 -0.00 0.00 2.84 0.00 0.00 34.83 36.03 1hjd s MET 24 CO 0.00 0.05 0.03 0.00 -0.65 0.00 0.00 175.02 174.45 1hjd s ALA 25 N 0.64 -0.07 0.10 4.11 0.00 0.11 -1.60 121.76 125.06 1hjd s ALA 25 Ca -0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 51.96 51.74 1hjd s ALA 25 Cb -0.16 -0.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 1hjd s ALA 25 CO 0.04 -0.07 0.26 0.08 0.00 0.00 0.00 175.76 176.08 1hjd s VAL 26 N -0.44 5.33 0.01 0.00 1.01 -0.30 0.13 120.40 126.15 1hjd s VAL 26 Ca -0.05 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 1hjd s VAL 26 Cb -0.03 -3.65 -0.07 0.00 0.00 0.00 0.00 36.38 32.62 1hjd s VAL 26 CO -0.00 0.07 1.73 0.00 0.00 0.00 0.00 175.10 176.90 1hjd s ALA 27 N -1.59 3.64 -1.97 5.51 0.00 0.26 0.16 121.76 127.76 1hjd s ALA 27 Ca 0.36 1.13 0.29 0.00 0.00 0.00 0.00 51.96 53.75 1hjd s ALA 27 Cb -0.12 -3.75 1.32 0.00 0.00 0.00 0.00 23.12 20.56 1hjd s ALA 27 CO 0.28 -1.33 1.90 -0.11 0.00 0.00 0.00 175.76 176.50 1hjd n LEU 28 N 6.65 0.67 0.00 0.00 7.94 0.32 -3.52 117.00 129.06 1hjd n LEU 28 Ca 0.17 -0.15 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 1hjd n LEU 28 Cb 0.41 -0.08 0.00 0.00 0.53 0.00 0.00 43.42 44.28 1hjd n LEU 28 CO 0.64 0.12 0.00 0.00 -1.11 0.00 0.00 177.39 177.03 1hjd n GLN 29 N -0.64 -1.56 -2.59 1.96 10.64 -1.23 -4.95 117.38 119.01 1hjd n GLN 29 Ca 0.18 0.00 -0.37 0.00 -1.83 0.00 0.00 57.00 54.98 1hjd n GLN 29 Cb 0.26 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.60 1hjd n GLN 29 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1hjd s ASP 30 N 0.00 6.97 -0.39 2.61 2.15 -1.26 -3.84 116.67 122.92 1hjd s ASP 30 Ca 0.00 2.03 0.07 0.00 0.43 0.00 0.00 52.55 55.07 1hjd s ASP 30 Cb 0.00 -2.59 0.18 0.00 -0.30 0.00 0.00 42.92 40.21 1hjd s ASP 30 CO 0.00 -0.34 0.65 -0.47 -0.17 0.00 0.00 175.17 174.84 1hjd s TYR 31 N -1.58 -1.67 0.17 -5.34 5.04 0.21 -4.92 117.35 109.26 1hjd s TYR 31 Ca 0.54 0.38 -0.31 0.00 -2.44 0.00 0.00 57.07 55.24 1hjd s TYR 31 Cb -0.23 0.30 -0.10 0.00 0.35 0.00 0.00 41.96 42.29 1hjd s TYR 31 CO 0.29 -1.11 1.51 0.00 -1.34 0.00 0.00 175.55 174.90 1hjd s MET 32 N 2.02 4.25 0.96 4.97 0.23 -1.26 -1.05 119.30 129.41 1hjd s MET 32 Ca 0.15 2.30 -0.17 0.00 -1.03 0.00 0.00 55.69 56.94 1hjd s MET 32 Cb -0.05 -3.16 -0.15 0.00 -1.53 0.00 0.00 34.83 29.95 1hjd s MET 32 CO -0.11 -0.54 -0.74 0.00 -2.03 0.00 0.00 175.02 171.61 1hjd n ALA 33 N 3.61 -5.29 -0.03 3.16 0.00 -1.26 -4.91 120.51 115.79 1hjd n ALA 33 Ca 0.12 -0.64 -0.13 0.00 0.00 0.00 0.00 53.44 52.78 1hjd n ALA 33 Cb 0.40 -1.17 -0.09 0.00 0.00 0.00 0.00 19.45 18.58 1hjd n ALA 33 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1hjd h PRO 34 N -0.94 0.19 0.00 0.00 0.13 -1.92 -3.49 132.00 125.97 1hjd h PRO 34 Ca -0.44 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1hjd h PRO 34 Cb 1.31 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1hjd h PRO 34 CO 0.25 0.69 0.00 -3.47 -0.23 0.00 0.00 178.00 175.24 1hjd n ASP 35 N -4.65 0.00 0.00 1.44 2.03 -1.26 -5.06 116.55 109.05 1hjd n ASP 35 Ca -0.08 -0.51 0.00 0.00 0.52 0.00 0.00 54.79 54.72 1hjd n ASP 35 Cb 0.35 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 1hjd n ASP 35 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1hjd n ARG 37 N 0.00 0.00 -1.54 0.00 0.63 -1.26 -4.91 116.66 109.58 1hjd n ARG 37 Ca 0.00 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.63 1hjd n ARG 37 Cb 0.00 0.00 0.10 0.00 0.45 0.00 0.00 32.46 33.01 1hjd n ARG 37 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1hjd s PHE 38 N 0.00 2.73 -0.13 -0.14 0.08 -1.14 -5.01 117.98 114.37 1hjd s PHE 38 Ca 0.00 1.08 -0.23 0.00 0.12 0.00 0.00 56.93 57.90 1hjd s PHE 38 Cb 0.00 -3.19 -0.03 0.00 -0.57 0.00 0.00 43.02 39.23 1hjd s PHE 38 CO 0.00 -1.95 0.69 -1.17 -0.10 0.00 0.00 175.22 172.69 1hjd s LEU 39 N -5.86 4.24 0.78 -0.37 2.96 -1.26 -4.65 118.68 114.52 1hjd s LEU 39 Ca 0.62 1.06 -0.11 0.00 -0.22 0.00 0.00 54.13 55.48 1hjd s LEU 39 Cb -0.15 -3.03 0.08 0.00 0.50 0.00 0.00 46.19 43.59 1hjd s LEU 39 CO 0.54 -0.21 1.14 0.28 -1.32 0.00 0.00 176.35 176.78 1hjd s THR 40 N 1.35 2.07 0.03 3.68 -1.32 -1.26 -4.55 115.64 115.63 1hjd s THR 40 Ca 0.34 -0.07 0.09 0.00 -1.21 0.00 0.00 61.69 60.84 1hjd s THR 40 Cb -0.17 -3.00 -0.03 0.00 -1.51 0.00 0.00 72.50 67.80 1hjd s THR 40 CO 0.14 0.00 -0.26 -0.63 -2.21 0.00 0.00 174.62 171.66 1hjd s ILE 41 N -3.50 2.10 0.01 5.08 -1.09 -0.22 -4.93 121.20 118.66 1hjd s ILE 41 Ca 0.62 -1.31 0.02 0.00 -2.23 0.00 0.00 60.65 57.74 1hjd s ILE 41 Cb -0.11 -1.78 -0.01 0.00 -1.58 0.00 0.00 42.46 38.98 1hjd s ILE 41 CO 0.48 0.42 -0.05 -2.28 -1.23 0.00 0.00 174.94 172.27 1hjd s HIS 42 N -0.75 0.48 0.98 3.97 2.46 -1.25 0.64 115.29 121.82 1hjd s HIS 42 Ca 0.11 -0.26 -0.16 0.00 0.47 0.00 0.00 55.06 55.23 1hjd s HIS 42 Cb -0.10 -0.30 -0.09 0.00 -0.13 0.00 0.00 32.58 31.96 1hjd s HIS 42 CO 0.01 -0.05 -0.42 0.54 -2.47 0.00 0.00 174.74 172.36 1hjd n ARG 43 N 2.33 -0.10 -4.29 2.88 5.12 -1.25 -2.90 116.66 118.46 1hjd n ARG 43 Ca -0.17 -0.02 -0.32 0.00 -1.93 0.00 0.00 57.85 55.42 1hjd n ARG 43 Cb 0.57 -1.28 -0.08 0.00 -1.16 0.00 0.00 32.46 30.50 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 2.84 -0.18 2.76 -0.13 0.00 -1.23 -4.92 105.19 104.33 1hjd n GLY 44 Ca 0.01 0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 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 -7.23 0.72 0.64 1.61 0.74 -1.14 -4.95 119.66 110.05 1hjd s GLN 45 Ca 0.13 -0.34 -0.15 0.00 0.05 0.00 0.00 55.36 55.04 1hjd s GLN 45 Cb -0.07 -1.90 -0.01 0.00 1.10 0.00 0.00 33.01 32.13 1hjd s GLN 45 CO 0.98 -0.56 1.11 0.08 -0.55 0.00 0.00 175.29 176.35 1hjd s VAL 46 N 1.86 3.27 -0.01 1.34 1.01 -1.26 0.89 120.40 127.49 1hjd s VAL 46 Ca 0.00 0.61 -0.16 0.00 0.00 0.00 0.00 61.98 62.43 1hjd s VAL 46 Cb -0.16 -3.13 0.03 0.00 0.00 0.00 0.00 36.38 33.11 1hjd s VAL 46 CO -0.07 -0.35 0.33 -0.69 0.00 0.00 0.00 175.10 174.32 1hjd s VAL 47 N -2.29 0.06 -0.22 2.92 1.01 0.35 0.61 120.40 122.84 1hjd s VAL 47 Ca 0.67 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 62.19 1hjd s VAL 47 Cb -0.21 -0.69 0.05 0.00 0.00 0.00 0.00 36.38 35.53 1hjd s VAL 47 CO 0.40 -0.27 -0.11 -0.31 0.00 0.00 0.00 175.10 174.82 1hjd s TYR 48 N -1.54 2.73 -0.01 5.22 1.51 0.30 0.10 117.35 125.67 1hjd s TYR 48 Ca -0.12 -1.87 -0.30 0.00 -1.01 0.00 0.00 57.07 53.78 1hjd s TYR 48 Cb -0.04 -1.76 -0.03 0.00 -0.11 0.00 0.00 41.96 40.02 1hjd s TYR 48 CO 0.03 -0.80 0.96 0.08 -1.11 0.00 0.00 175.55 174.71 1hjd s VAL 49 N 1.29 4.88 -0.07 0.71 1.01 -1.07 -0.61 120.40 126.54 1hjd s VAL 49 Ca -0.04 2.02 0.09 0.00 0.00 0.00 0.00 61.98 64.05 1hjd s VAL 49 Cb -0.18 -4.30 -0.13 0.00 0.00 0.00 0.00 36.38 31.78 1hjd s VAL 49 CO -0.07 0.17 0.08 0.49 0.00 0.00 0.00 175.10 175.77 1hjd n PHE 50 N 3.90 0.00 -4.37 5.22 3.01 0.19 0.93 117.46 126.33 1hjd n PHE 50 Ca 0.06 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.32 1hjd n PHE 50 Cb 0.51 -0.40 -0.14 0.00 -0.01 0.00 0.00 39.48 39.44 1hjd n PHE 50 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1hjd s SER 51 N -3.88 1.39 -0.40 4.37 0.15 0.20 -4.51 113.70 111.03 1hjd s SER 51 Ca -0.04 -0.34 0.02 0.00 0.70 0.00 0.00 55.95 56.29 1hjd s SER 51 Cb 0.04 -0.11 0.15 0.00 -1.71 0.00 0.00 66.02 64.39 1hjd s SER 51 CO 0.39 0.06 0.28 -0.75 1.20 0.00 0.00 173.24 174.42 1hjd s LYS 52 N -0.76 0.85 1.11 5.44 2.20 -1.24 0.70 119.74 128.04 1hjd s LYS 52 Ca 0.02 -1.81 -0.14 0.00 -0.36 0.00 0.00 55.97 53.68 1hjd s LYS 52 Cb -0.06 -1.54 0.25 0.00 -1.51 0.00 0.00 37.83 34.96 1hjd s LYS 52 CO 0.00 -1.28 1.06 -1.17 -0.36 0.00 0.00 175.35 173.60 1hjd s LEU 53 N 0.46 1.04 0.00 5.43 0.20 -1.25 -2.32 118.68 122.24 1hjd s LEU 53 Ca 0.25 1.19 0.00 0.00 0.69 0.00 0.00 54.13 56.26 1hjd s LEU 53 Cb -0.11 -3.18 0.00 0.00 -0.43 0.00 0.00 46.19 42.47 1hjd s LEU 53 CO -0.09 -3.75 0.00 2.29 -0.29 0.00 0.00 176.35 174.52 1hjd n LYS 54 N -4.58 0.00 -2.96 1.98 2.85 -0.91 -3.61 118.16 110.93 1hjd n LYS 54 Ca 0.05 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.20 1hjd n LYS 54 Cb 0.57 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.96 1hjd n LYS 54 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1hjd n GLY 55 N 0.00 -1.14 2.62 2.58 0.00 -1.26 -2.90 105.19 105.09 1hjd n GLY 55 Ca 0.00 1.17 -0.11 0.00 0.00 0.00 0.00 46.02 47.08 1hjd n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hjd n ARG 56 N -0.47 -1.37 0.00 1.61 3.00 -1.26 -4.71 116.66 113.46 1hjd n ARG 56 Ca 0.08 0.84 0.00 0.00 -0.01 0.00 0.00 57.85 58.76 1hjd n ARG 56 Cb 0.49 -5.07 0.00 0.00 0.00 0.00 0.00 32.46 27.88 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 -0.42 1.00 0.42 -0.13 0.00 -1.14 -4.84 105.19 100.06 1hjd n GLY 57 Ca -0.11 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 0.00 0.00 1.61 1.12 -1.71 0.63 114.38 116.03 1hjd h ARG 58 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1hjd h ARG 58 Cb 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.43 1hjd h ARG 58 CO 0.00 0.00 0.00 1.47 -3.11 0.00 0.00 179.97 178.33 1hjd n LEU 59 N -3.51 0.00 -3.92 3.80 -0.00 -1.26 -4.31 117.00 107.81 1hjd n LEU 59 Ca 0.10 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.82 1hjd n LEU 59 Cb 0.82 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 44.11 1hjd n LEU 59 CO 0.25 0.00 -0.17 -0.36 -0.00 0.00 0.00 177.39 177.11 1hjd s PHE 60 N -2.00 3.11 -0.17 1.47 0.40 0.22 -0.87 117.98 120.14 1hjd s PHE 60 Ca 0.32 -3.12 -0.21 0.00 -0.60 0.00 0.00 56.93 53.32 1hjd s PHE 60 Cb 0.15 -2.70 -0.03 0.00 0.51 0.00 0.00 43.02 40.95 1hjd s PHE 60 CO 0.25 -0.72 0.62 -1.58 0.70 0.00 0.00 175.22 174.49 1hjd s TRP 61 N -0.40 3.42 -0.53 0.36 0.52 -0.87 -3.96 118.94 117.48 1hjd s TRP 61 Ca 0.18 0.97 -0.25 0.00 0.02 0.00 0.00 56.10 57.02 1hjd s TRP 61 Cb -0.23 -2.77 0.04 0.00 -1.15 0.00 0.00 33.47 29.36 1hjd s TRP 61 CO -0.02 -0.09 0.98 0.20 0.02 0.00 0.00 176.95 178.04 1hjd s GLY 62 N 1.06 1.38 0.00 0.98 0.00 0.22 -1.15 107.32 109.81 1hjd s GLY 62 Ca 0.30 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.99 1hjd s GLY 62 CO 0.11 2.13 0.00 0.61 0.00 0.00 0.00 173.10 175.96 1hjd n GLY 63 N 5.05 5.72 3.53 0.20 0.00 0.01 0.61 105.19 120.31 1hjd n GLY 63 Ca 0.04 -1.50 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 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 1.00 -0.73 0.43 1.61 1.04 0.22 -0.49 113.70 116.78 1hjd s SER 64 Ca 0.00 1.29 -0.23 0.00 0.48 0.00 0.00 55.95 57.49 1hjd s SER 64 Cb 0.00 1.24 -0.09 0.00 0.10 0.00 0.00 66.02 67.27 1hjd s SER 64 CO 0.00 -0.22 1.06 0.68 0.98 0.00 0.00 173.24 175.74 1hjd s VAL 65 N 0.91 3.64 0.77 5.02 -7.23 -1.26 0.11 120.40 122.36 1hjd s VAL 65 Ca -0.05 1.20 -0.15 0.00 -1.81 0.00 0.00 61.98 61.17 1hjd s VAL 65 Cb -0.05 -3.59 -0.01 0.00 0.56 0.00 0.00 36.38 33.29 1hjd s VAL 65 CO -0.08 -0.05 0.64 0.00 -0.31 0.00 0.00 175.10 175.30 1hjd n GLN 66 N -0.34 0.23 -2.17 4.82 10.64 0.20 -4.83 117.38 125.93 1hjd n GLN 66 Ca 0.06 0.13 -0.02 0.00 -1.83 0.00 0.00 57.00 55.34 1hjd n GLN 66 Cb 0.50 -1.95 0.08 0.00 -0.86 0.00 0.00 30.24 28.01 1hjd n GLN 66 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1hjd n GLY 67 N 1.44 1.03 1.97 2.61 0.00 -1.26 -4.94 105.19 106.04 1hjd n GLY 67 Ca 0.10 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1hjd n GLY 67 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1hjd n ASP 68 N -0.97 -3.23 -2.07 1.61 5.68 -1.26 -4.82 116.55 111.49 1hjd n ASP 68 Ca -0.13 -0.51 0.00 0.00 -0.50 0.00 0.00 54.79 53.65 1hjd n ASP 68 Cb 0.74 -0.60 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 1hjd n ASP 68 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1hjd n TYR 69 N -4.63 -4.56 -1.21 2.11 4.19 -1.26 -4.97 117.16 106.83 1hjd n TYR 69 Ca 0.08 2.73 -0.29 0.00 3.31 0.00 0.00 57.90 63.73 1hjd n TYR 69 Cb 0.35 -3.63 0.16 0.00 0.49 0.00 0.00 39.34 36.70 1hjd n TYR 69 CO 0.00 0.00 0.00 0.71 0.91 0.00 0.00 176.86 178.48 1hjd s TYR 70 N -0.51 2.23 0.00 2.98 2.02 -1.26 -4.58 117.35 118.24 1hjd s TYR 70 Ca 0.00 1.11 0.00 0.00 -0.37 0.00 0.00 57.07 57.81 1hjd s TYR 70 Cb 0.00 -3.22 0.00 0.00 -0.40 0.00 0.00 41.96 38.34 1hjd s TYR 70 CO 0.00 -2.62 0.00 0.41 -1.57 0.00 0.00 175.55 171.77 1hjd n GLY 71 N -1.18 1.67 0.00 0.71 0.00 -1.26 -5.01 105.19 100.12 1hjd n GLY 71 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 0.00 -4.64 1.61 2.03 -1.26 -5.13 116.55 109.17 1hjd n ASP 72 Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 1hjd n ASP 72 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 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 3.96 0.00 -2.67 2.96 -1.26 -4.83 118.68 116.84 1hjd s LEU 73 Ca 0.00 1.63 0.00 0.00 -0.22 0.00 0.00 54.13 55.54 1hjd s LEU 73 Cb 0.00 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.16 1hjd s LEU 73 CO 0.00 -1.15 0.00 0.00 -1.32 0.00 0.00 176.35 173.88 1hjd n ALA 74 N 8.03 0.00 -2.65 5.97 0.00 -1.26 -5.18 120.51 125.42 1hjd n ALA 74 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.37 1hjd n ALA 74 Cb 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.83 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 3.18 -0.25 0.00 0.00 -1.26 -5.13 121.76 118.29 1hjd s ALA 75 Ca 0.00 -1.55 -0.13 0.00 0.00 0.00 0.00 51.96 50.28 1hjd s ALA 75 Cb 0.00 -0.86 0.08 0.00 0.00 0.00 0.00 23.12 22.35 1hjd s ALA 75 CO 0.00 0.34 0.60 1.03 0.00 0.00 0.00 175.76 177.73 1hjd s ARG 76 N -3.42 0.59 0.64 0.00 1.81 -1.26 -5.16 118.95 112.15 1hjd s ARG 76 Ca 0.30 1.16 -0.15 0.00 -1.72 0.00 0.00 55.73 55.31 1hjd s ARG 76 Cb -0.07 0.25 -0.01 0.00 -0.45 0.00 0.00 34.95 34.66 1hjd s ARG 76 CO 0.19 -0.17 1.10 -0.51 -0.68 0.00 0.00 175.30 175.24 1hjd s LEU 77 N 1.88 3.44 -0.05 2.53 1.43 -1.26 -4.64 118.68 122.01 1hjd s LEU 77 Ca -0.09 1.98 -0.19 0.00 -1.03 0.00 0.00 54.13 54.81 1hjd s LEU 77 Cb -0.07 -4.55 0.04 0.00 0.03 0.00 0.00 46.19 41.63 1hjd s LEU 77 CO -0.18 -1.51 0.42 -0.83 0.23 0.00 0.00 176.35 174.48 1hjd s GLY 78 N -2.55 -0.28 -0.24 -3.19 0.00 0.36 -4.71 107.32 96.71 1hjd s GLY 78 Ca 0.67 0.72 -0.12 0.00 0.00 0.00 0.00 44.72 45.99 1hjd s GLY 78 CO 0.39 0.48 0.22 -0.19 0.00 0.00 0.00 173.10 174.00 1hjd s TYR 79 N -1.02 3.31 -0.14 1.90 1.51 -1.26 -0.81 117.35 120.84 1hjd s TYR 79 Ca -0.11 0.29 -0.27 0.00 -1.01 0.00 0.00 57.07 55.97 1hjd s TYR 79 Cb -0.04 -2.35 0.07 0.00 -0.11 0.00 0.00 41.96 39.53 1hjd s TYR 79 CO 0.05 -0.00 0.67 -0.59 -1.11 0.00 0.00 175.55 174.56 1hjd s PHE 80 N 1.28 -0.68 0.04 2.71 -0.12 -0.30 -4.79 117.98 116.11 1hjd s PHE 80 Ca 0.10 1.42 -0.36 0.00 -0.05 0.00 0.00 56.93 58.03 1hjd s PHE 80 Cb -0.14 0.32 -0.16 0.00 -0.63 0.00 0.00 43.02 42.42 1hjd s PHE 80 CO 0.06 -0.48 1.49 -2.30 -0.05 0.00 0.00 175.22 173.94 1hjd n PRO 81 N 1.76 1.45 0.10 1.99 -0.02 -0.05 -2.05 135.00 138.19 1hjd n PRO 81 Ca -0.17 0.53 0.07 0.00 -2.02 0.00 0.00 63.50 61.90 1hjd n PRO 81 Cb 0.56 -2.22 0.52 0.00 -0.02 0.00 0.00 33.50 32.35 1hjd n PRO 81 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1hjd h SER 82 N 5.55 0.26 -0.85 2.55 0.87 -1.86 -1.84 113.55 118.23 1hjd h SER 82 Ca -0.47 -0.01 0.25 0.00 -1.23 0.00 0.00 61.79 60.33 1hjd h SER 82 Cb 1.31 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 63.17 1hjd h SER 82 CO 0.84 0.19 0.74 -1.28 -0.53 0.00 0.00 176.83 176.78 1hjd h SER 83 N 0.31 0.00 0.46 6.23 0.87 -1.94 0.77 113.55 120.25 1hjd h SER 83 Ca 0.10 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.58 1hjd h SER 83 Cb 0.03 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1hjd h SER 83 CO -0.02 0.00 -0.41 0.40 -0.53 0.00 0.00 176.83 176.27 1hjd h ILE 84 N 0.00 1.23 -3.88 2.23 2.04 -1.70 -3.44 117.51 114.00 1hjd h ILE 84 Ca 0.41 -1.43 -0.68 0.00 1.00 0.00 0.00 64.86 64.15 1hjd h ILE 84 Cb 1.87 1.78 -0.21 0.00 -0.74 0.00 0.00 36.82 39.53 1hjd h ILE 84 CO -0.00 0.40 -0.81 0.68 0.00 0.00 0.00 178.15 178.41 1hjd s VAL 85 N -4.02 2.74 -0.39 1.67 -7.23 0.27 0.12 120.40 113.55 1hjd s VAL 85 Ca -0.02 -1.37 -0.15 0.00 -1.81 0.00 0.00 61.98 58.63 1hjd s VAL 85 Cb 0.14 -2.20 0.01 0.00 0.56 0.00 0.00 36.38 34.89 1hjd s VAL 85 CO 0.72 0.22 0.29 -0.13 -0.31 0.00 0.00 175.10 175.90 1hjd s ARG 86 N -1.77 3.10 0.05 4.82 1.81 0.42 -4.79 118.95 122.59 1hjd s ARG 86 Ca 0.16 -0.91 -0.30 0.00 -1.72 0.00 0.00 55.73 52.95 1hjd s ARG 86 Cb -0.10 -3.94 -0.05 0.00 -0.45 0.00 0.00 34.95 30.41 1hjd s ARG 86 CO 0.07 -0.68 1.05 -1.21 -0.68 0.00 0.00 175.30 173.85 1hjd s GLU 87 N 1.72 4.54 0.00 3.54 2.02 -1.26 -1.15 118.70 128.11 1hjd s GLU 87 Ca 0.06 1.55 0.00 0.00 0.02 0.00 0.00 54.97 56.60 1hjd s GLU 87 Cb -0.19 -3.40 0.00 0.00 0.10 0.00 0.00 34.13 30.64 1hjd s GLU 87 CO 0.10 -0.06 0.00 -3.47 0.02 0.00 0.00 175.26 171.85 1hjd n ASP 88 N 3.63 1.05 -4.82 -0.19 -0.08 -0.63 -4.96 116.55 110.55 1hjd n ASP 88 Ca 0.06 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.04 1hjd n ASP 88 Cb 0.49 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.89 1hjd n ASP 88 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1hjd s GLN 89 N -2.00 3.04 0.04 -0.67 0.74 -1.15 -5.00 119.66 114.67 1hjd s GLN 89 Ca 0.00 -0.64 0.02 0.00 0.05 0.00 0.00 55.36 54.80 1hjd s GLN 89 Cb 0.00 -2.81 -0.02 0.00 1.10 0.00 0.00 33.01 31.28 1hjd s GLN 89 CO 0.00 0.57 -0.08 0.95 -0.55 0.00 0.00 175.29 176.18 1hjd s THR 90 N -1.45 0.55 -0.08 -0.34 -4.23 -1.26 0.83 115.64 109.65 1hjd s THR 90 Ca 0.31 -1.06 0.19 0.00 -1.18 0.00 0.00 61.69 59.95 1hjd s THR 90 Cb -0.12 -0.61 0.35 0.00 1.34 0.00 0.00 72.50 73.46 1hjd s THR 90 CO 0.24 -0.36 1.15 -0.11 -0.54 0.00 0.00 174.62 175.00 1hjd n LEU 91 N 1.50 0.46 -4.52 4.79 0.00 -1.14 -4.90 117.00 113.19 1hjd n LEU 91 Ca -0.22 -2.31 -0.43 0.00 0.00 0.00 0.00 56.01 53.05 1hjd n LEU 91 Cb 0.55 0.10 -0.06 0.00 0.00 0.00 0.00 43.42 44.01 1hjd n LEU 91 CO 0.21 0.93 0.53 -1.59 0.00 0.00 0.00 177.39 177.47 1hjd s LYS 92 N -0.75 3.33 0.29 1.96 -2.85 -0.71 -4.38 119.74 116.64 1hjd s LYS 92 Ca 0.23 -0.29 0.19 0.00 -1.00 0.00 0.00 55.97 55.10 1hjd s LYS 92 Cb 0.30 -3.98 0.11 0.00 -2.06 0.00 0.00 37.83 32.19 1hjd s LYS 92 CO -0.10 -1.18 1.35 -1.00 0.10 0.00 0.00 175.35 174.52 1hjd h PRO 93 N 9.02 0.00 -4.42 1.78 0.13 -1.90 -3.47 132.00 133.15 1hjd h PRO 93 Ca -0.25 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.70 1hjd h PRO 93 Cb 1.09 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.07 1hjd h PRO 93 CO 0.97 0.25 -0.66 0.20 -0.23 0.00 0.00 178.00 178.53 1hjd s GLY 94 N -4.42 0.90 -0.36 1.56 0.00 -1.26 -4.89 107.32 98.85 1hjd s GLY 94 Ca 0.03 -1.43 0.13 0.00 0.00 0.00 0.00 44.72 43.46 1hjd s GLY 94 CO 0.74 -1.37 1.18 0.58 0.00 0.00 0.00 173.10 174.23 1hjd n LYS 95 N -0.06 1.18 -3.36 2.90 0.00 -1.00 -3.71 118.16 114.10 1hjd n LYS 95 Ca -0.07 -2.44 -0.36 0.00 -0.00 0.00 0.00 58.31 55.43 1hjd n LYS 95 Cb 0.63 -0.56 -0.06 0.00 -0.00 0.00 0.00 35.03 35.04 1hjd n LYS 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1hjd s VAL 96 N -1.27 4.86 0.42 0.58 1.01 0.28 -4.70 120.40 121.58 1hjd s VAL 96 Ca 0.24 0.90 -0.23 0.00 0.00 0.00 0.00 61.98 62.90 1hjd s VAL 96 Cb 0.43 -3.77 -0.09 0.00 0.00 0.00 0.00 36.38 32.95 1hjd s VAL 96 CO -0.03 0.35 1.03 -0.62 0.00 0.00 0.00 175.10 175.83 1hjd s ASP 97 N -1.51 6.70 -0.12 3.32 2.15 -1.26 0.80 116.67 126.75 1hjd s ASP 97 Ca 0.34 1.96 -0.04 0.00 0.43 0.00 0.00 52.55 55.24 1hjd s ASP 97 Cb -0.16 -2.57 0.06 0.00 -0.30 0.00 0.00 42.92 39.95 1hjd s ASP 97 CO 0.18 -0.53 0.21 -0.69 -0.17 0.00 0.00 175.17 174.18 1hjd s VAL 98 N -1.79 -0.34 0.04 1.11 1.01 0.51 -4.87 120.40 116.07 1hjd s VAL 98 Ca 0.60 0.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.51 1hjd s VAL 98 Cb -0.19 -0.43 -0.07 0.00 0.00 0.00 0.00 36.38 35.69 1hjd s VAL 98 CO 0.24 0.07 1.55 -0.75 0.00 0.00 0.00 175.10 176.20 1hjd s LYS 99 N 2.35 4.23 0.61 2.72 2.20 -1.26 -0.71 119.74 129.89 1hjd s LYS 99 Ca 0.03 2.18 -0.12 0.00 -0.36 0.00 0.00 55.97 57.70 1hjd s LYS 99 Cb -0.13 -3.58 -0.04 0.00 -1.51 0.00 0.00 37.83 32.57 1hjd s LYS 99 CO -0.08 -0.67 1.03 -0.08 -0.36 0.00 0.00 175.35 175.19 1hjd s THR 100 N 2.52 4.52 0.79 3.43 -1.32 -0.81 -4.95 115.64 119.82 1hjd s THR 100 Ca 0.70 0.90 -0.10 0.00 -1.21 0.00 0.00 61.69 61.98 1hjd s THR 100 Cb -0.36 -3.74 0.18 0.00 -1.51 0.00 0.00 72.50 67.06 1hjd s THR 100 CO 0.30 -0.99 1.08 0.47 -2.21 0.00 0.00 174.62 173.27 1hjd n ASP 101 N -2.57 0.41 -0.06 8.08 8.00 -1.26 -4.96 116.55 124.20 1hjd n ASP 101 Ca 0.06 -1.59 -0.03 0.00 0.71 0.00 0.00 54.79 53.95 1hjd n ASP 101 Cb 0.54 -0.79 -0.01 0.00 -0.02 0.00 0.00 41.12 40.83 1hjd n ASP 101 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1hjd h LYS 102 N 0.00 0.00 -0.23 -1.24 3.64 -1.97 -3.35 116.57 113.41 1hjd h LYS 102 Ca -0.35 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.10 1hjd h LYS 102 Cb 1.04 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 1hjd h LYS 102 CO 0.28 0.06 0.37 -1.49 -2.27 0.00 0.00 179.45 176.39 1hjd h TRP 103 N -1.00 0.00 -0.26 1.91 4.06 -2.05 0.05 115.95 118.66 1hjd h TRP 103 Ca -0.01 0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.01 1hjd h TRP 103 Cb 0.26 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.41 1hjd h TRP 103 CO -0.08 0.00 0.19 0.22 -3.56 0.00 0.00 178.44 175.21 1hjd h ASP 104 N 0.00 0.06 -2.59 -3.49 3.58 -1.98 -3.35 116.42 108.64 1hjd h ASP 104 Ca 0.11 0.00 -0.64 0.00 0.42 0.00 0.00 57.03 56.92 1hjd h ASP 104 Cb 0.84 -0.01 -0.15 0.00 1.72 0.00 0.00 39.33 41.73 1hjd h ASP 104 CO -0.00 0.04 0.59 -0.36 -2.88 0.00 0.00 179.24 176.62 1hjd s PHE 105 N -5.10 2.77 0.23 0.28 0.08 0.00 -4.99 117.98 111.25 1hjd s PHE 105 Ca -0.05 -0.73 0.02 0.00 0.12 0.00 0.00 56.93 56.28 1hjd s PHE 105 Cb 0.18 -4.28 -0.05 0.00 -0.57 0.00 0.00 43.02 38.30 1hjd s PHE 105 CO 0.70 -1.61 0.05 -0.47 -0.10 0.00 0.00 175.22 173.80 1hjd s TYR 106 N 3.75 1.44 -0.30 0.36 5.04 -1.26 -5.06 117.35 121.32 1hjd s TYR 106 Ca 0.24 -1.09 -0.18 0.00 -2.44 0.00 0.00 57.07 53.60 1hjd s TYR 106 Cb -0.15 -0.83 0.18 0.00 0.35 0.00 0.00 41.96 41.51 1hjd s TYR 106 CO 0.06 -0.25 1.19 0.00 -1.34 0.00 0.00 175.55 175.20