#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 4.90 -0.08 0.00 1.11 -1.26 -4.78 116.67 116.56 1hjd s ASP 9 Ca 0.00 -2.42 -0.07 0.00 0.18 0.00 0.00 52.55 50.23 1hjd s ASP 9 Cb 0.00 -1.73 -0.04 0.00 1.07 0.00 0.00 42.92 42.22 1hjd s ASP 9 CO 0.00 -0.39 0.19 -0.13 1.18 0.00 0.00 175.17 176.02 1hjd s ARG 10 N 0.55 3.51 0.07 8.23 0.52 -1.26 -1.51 118.95 129.07 1hjd s ARG 10 Ca 0.12 -0.08 0.08 0.00 -0.52 0.00 0.00 55.73 55.33 1hjd s ARG 10 Cb -0.22 -3.17 -0.03 0.00 0.52 0.00 0.00 34.95 32.05 1hjd s ARG 10 CO -0.04 0.74 -0.21 0.15 0.02 0.00 0.00 175.30 175.95 1hjd s LYS 11 N -1.24 1.27 0.02 3.54 3.01 0.07 -2.59 119.74 123.83 1hjd s LYS 11 Ca 0.19 -1.06 -0.21 0.00 -1.01 0.00 0.00 55.97 53.88 1hjd s LYS 11 Cb -0.13 -1.48 -0.06 0.00 -1.01 0.00 0.00 37.83 35.16 1hjd s LYS 11 CO 0.09 0.36 0.61 -0.51 0.51 0.00 0.00 175.35 176.41 1hjd s LEU 12 N -1.56 4.45 0.05 3.17 1.02 0.24 0.15 118.68 126.21 1hjd s LEU 12 Ca 0.07 1.23 0.01 0.00 0.02 0.00 0.00 54.13 55.46 1hjd s LEU 12 Cb -0.09 -2.96 -0.04 0.00 0.02 0.00 0.00 46.19 43.12 1hjd s LEU 12 CO 0.03 0.14 0.14 0.00 0.02 0.00 0.00 176.35 176.68 1hjd n ALA 14 N 0.54 5.99 0.00 0.00 0.00 -1.25 -1.83 120.51 123.96 1hjd n ALA 14 Ca -0.08 -2.29 0.00 0.00 0.00 0.00 0.00 53.44 51.07 1hjd n ALA 14 Cb 0.52 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 1.13 0.00 -0.11 0.00 2.03 -1.24 -3.42 116.55 114.95 1hjd n ASP 15 Ca 0.40 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.52 1hjd n ASP 15 Cb 0.63 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.95 1hjd n ASP 15 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1hjd n GLN 16 N 0.00 0.55 -0.58 -0.67 7.27 -1.26 -3.95 117.38 118.73 1hjd n GLN 16 Ca 0.00 0.44 0.05 0.00 0.07 0.00 0.00 57.00 57.57 1hjd n GLN 16 Cb 0.00 -1.63 0.28 0.00 2.41 0.00 0.00 30.24 31.30 1hjd n GLN 16 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1hjd n GLU 17 N -4.42 3.55 -3.20 3.69 2.13 -1.26 -4.94 120.64 116.18 1hjd n GLU 17 Ca -0.31 -2.18 -0.05 0.00 0.66 0.00 0.00 57.16 55.28 1hjd n GLU 17 Cb 0.64 -1.96 0.00 0.00 0.27 0.00 0.00 31.44 30.40 1hjd n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1hjd n SER 19 N -1.97 -0.24 -3.58 0.00 7.64 -1.26 -5.05 113.62 109.17 1hjd n SER 19 Ca -0.06 -2.65 -0.12 0.00 1.01 0.00 0.00 58.87 57.05 1hjd n SER 19 Cb 0.54 0.26 -0.06 0.00 -1.01 0.00 0.00 64.21 63.94 1hjd n SER 19 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1hjd s HIS 20 N -1.47 -0.45 0.66 1.43 3.76 -1.26 -5.00 115.29 112.95 1hjd s HIS 20 Ca 0.25 0.84 -0.15 0.00 -0.15 0.00 0.00 55.06 55.85 1hjd s HIS 20 Cb 0.42 0.42 -0.00 0.00 1.11 0.00 0.00 32.58 34.53 1hjd s HIS 20 CO -0.03 -0.38 1.10 -1.25 -0.85 0.00 0.00 174.74 173.34 1hjd s PRO 21 N -0.89 2.84 -0.02 8.40 0.04 -1.26 -4.08 135.00 140.02 1hjd s PRO 21 Ca -0.03 1.36 -0.01 0.00 0.04 0.00 0.00 61.00 62.36 1hjd s PRO 21 Cb -0.01 -1.96 -0.00 0.00 0.04 0.00 0.00 34.50 32.57 1hjd s PRO 21 CO 0.02 -1.21 -0.02 0.82 0.04 0.00 0.00 177.00 176.65 1hjd h ILE 22 N 0.03 0.00 -1.41 0.56 1.08 -1.73 -3.29 117.51 112.74 1hjd h ILE 22 Ca -0.47 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 63.81 1hjd h ILE 22 Cb 1.24 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.99 1hjd h ILE 22 CO 0.54 0.00 0.00 -1.54 -0.69 0.00 0.00 178.15 176.46 1hjd n SER 23 N -2.63 0.00 -4.14 1.72 3.41 -1.19 0.11 113.62 110.90 1hjd n SER 23 Ca -0.01 -0.88 -0.21 0.00 -0.26 0.00 0.00 58.87 57.51 1hjd n SER 23 Cb 0.03 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.84 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 -1.64 1.02 0.19 4.33 1.75 0.22 -1.90 119.30 123.27 1hjd s MET 24 Ca 0.00 -0.70 -0.03 0.00 -1.25 0.00 0.00 55.69 53.72 1hjd s MET 24 Cb 0.00 -1.02 -0.04 0.00 2.84 0.00 0.00 34.83 36.61 1hjd s MET 24 CO 0.00 0.26 0.16 0.00 -0.65 0.00 0.00 175.02 174.79 1hjd s ALA 25 N -0.70 0.93 0.19 4.11 0.00 -0.60 -1.69 121.76 124.00 1hjd s ALA 25 Ca 0.03 -1.55 0.11 0.00 0.00 0.00 0.00 51.96 50.55 1hjd s ALA 25 Cb -0.07 1.25 -0.04 0.00 0.00 0.00 0.00 23.12 24.26 1hjd s ALA 25 CO 0.01 -0.60 -0.21 0.08 0.00 0.00 0.00 175.76 175.04 1hjd s VAL 26 N -4.12 2.55 -0.01 0.00 1.01 0.11 0.21 120.40 120.15 1hjd s VAL 26 Ca 0.34 -1.93 -0.30 0.00 0.00 0.00 0.00 61.98 60.09 1hjd s VAL 26 Cb 0.06 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1hjd s VAL 26 CO 0.10 -0.11 1.24 0.00 0.00 0.00 0.00 175.10 176.33 1hjd s ALA 27 N -1.66 3.48 -2.03 5.51 0.00 0.46 0.20 121.76 127.72 1hjd s ALA 27 Ca 0.21 0.74 0.27 0.00 0.00 0.00 0.00 51.96 53.19 1hjd s ALA 27 Cb -0.08 -3.51 0.95 0.00 0.00 0.00 0.00 23.12 20.48 1hjd s ALA 27 CO 0.11 -0.68 1.68 -0.11 0.00 0.00 0.00 175.76 176.76 1hjd n LEU 28 N 4.82 1.11 0.00 0.00 7.94 0.32 -3.74 117.00 127.44 1hjd n LEU 28 Ca 0.11 -0.31 0.00 0.00 -1.11 0.00 0.00 56.01 54.69 1hjd n LEU 28 Cb 0.46 -0.08 0.00 0.00 0.53 0.00 0.00 43.42 44.33 1hjd n LEU 28 CO 0.56 0.20 0.00 0.00 -1.11 0.00 0.00 177.39 177.04 1hjd n GLN 29 N -0.39 -2.08 -2.65 1.96 10.64 -1.23 -4.95 117.38 118.69 1hjd n GLN 29 Ca 0.15 0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 54.92 1hjd n GLN 29 Cb 0.34 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.67 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 7.48 -0.47 2.61 -1.08 -1.22 -3.65 116.67 120.34 1hjd s ASP 30 Ca 0.00 2.01 0.07 0.00 -0.52 0.00 0.00 52.55 54.11 1hjd s ASP 30 Cb 0.00 -2.61 0.18 0.00 -1.46 0.00 0.00 42.92 39.03 1hjd s ASP 30 CO 0.00 -0.01 0.63 -0.47 0.52 0.00 0.00 175.17 175.84 1hjd s TYR 31 N -0.80 -1.25 -0.46 -5.34 5.04 0.11 -4.94 117.35 109.71 1hjd s TYR 31 Ca 0.44 -0.58 -0.27 0.00 -2.44 0.00 0.00 57.07 54.21 1hjd s TYR 31 Cb -0.27 0.13 -0.02 0.00 0.35 0.00 0.00 41.96 42.14 1hjd s TYR 31 CO 0.34 -1.18 1.82 1.41 -1.34 0.00 0.00 175.55 176.60 1hjd s MET 32 N 1.06 3.00 0.93 4.97 -2.45 -1.26 -1.56 119.30 123.99 1hjd s MET 32 Ca 0.26 1.05 -0.17 0.00 -1.25 0.00 0.00 55.69 55.57 1hjd s MET 32 Cb -0.02 -4.28 -0.15 0.00 1.25 0.00 0.00 34.83 31.63 1hjd s MET 32 CO -0.07 -2.27 -0.68 0.00 1.05 0.00 0.00 175.02 173.05 1hjd n ALA 33 N 11.46 -5.10 0.05 4.11 0.00 -1.26 -4.88 120.51 124.90 1hjd n ALA 33 Ca 0.22 -0.60 -0.06 0.00 0.00 0.00 0.00 53.44 53.00 1hjd n ALA 33 Cb 0.49 -1.20 -0.04 0.00 0.00 0.00 0.00 19.45 18.71 1hjd n ALA 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1hjd h PRO 34 N -0.87 -0.29 0.00 0.00 0.11 -1.91 -3.45 132.00 125.58 1hjd h PRO 34 Ca -0.44 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1hjd h PRO 34 Cb 1.32 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.50 1hjd h PRO 34 CO 0.26 -0.20 0.00 -3.47 -0.21 0.00 0.00 178.00 174.38 1hjd n ASP 35 N -3.60 0.00 0.00 -2.05 -0.08 -1.26 -5.00 116.55 104.56 1hjd n ASP 35 Ca -0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.25 1hjd n ASP 35 Cb 0.16 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.62 1hjd n ASP 35 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1hjd h ARG 37 N 0.00 0.01 -4.17 0.00 2.47 -1.94 -3.41 114.38 107.34 1hjd h ARG 37 Ca 0.00 -0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.56 1hjd h ARG 37 Cb 0.00 -0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 28.19 1hjd h ARG 37 CO 0.00 0.01 -0.42 -0.06 0.56 0.00 0.00 179.97 180.06 1hjd s PHE 38 N -4.96 0.77 0.14 3.04 0.08 -1.26 -4.79 117.98 110.99 1hjd s PHE 38 Ca -0.06 -1.07 0.02 0.00 0.12 0.00 0.00 56.93 55.95 1hjd s PHE 38 Cb 0.27 -0.24 -0.04 0.00 -0.57 0.00 0.00 43.02 42.44 1hjd s PHE 38 CO 0.87 -0.75 0.25 -1.17 -0.10 0.00 0.00 175.22 174.32 1hjd s LEU 39 N -3.08 4.26 0.67 -0.37 2.96 -1.26 -4.65 118.68 117.21 1hjd s LEU 39 Ca 0.29 0.14 -0.05 0.00 -0.22 0.00 0.00 54.13 54.30 1hjd s LEU 39 Cb 0.04 -2.85 0.06 0.00 0.50 0.00 0.00 46.19 43.94 1hjd s LEU 39 CO 0.08 0.07 0.96 0.28 -1.32 0.00 0.00 176.35 176.42 1hjd s THR 40 N -1.70 2.36 -0.24 3.68 -1.32 -1.26 -4.07 115.64 113.10 1hjd s THR 40 Ca 0.34 -0.37 -0.03 0.00 -1.21 0.00 0.00 61.69 60.43 1hjd s THR 40 Cb -0.11 -2.99 0.12 0.00 -1.51 0.00 0.00 72.50 68.00 1hjd s THR 40 CO 0.28 0.00 0.28 -0.63 -2.21 0.00 0.00 174.62 172.33 1hjd s ILE 41 N -3.13 -0.40 0.14 5.08 1.01 -0.60 -4.88 121.20 118.41 1hjd s ILE 41 Ca 0.60 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.99 1hjd s ILE 41 Cb -0.11 -0.81 -0.05 0.00 0.01 0.00 0.00 42.46 41.51 1hjd s ILE 41 CO 0.43 -0.28 0.34 -2.28 0.00 0.00 0.00 174.94 173.15 1hjd s HIS 42 N 2.38 3.49 1.00 3.97 2.46 -1.26 0.08 115.29 127.40 1hjd s HIS 42 Ca 0.09 0.40 -0.17 0.00 0.47 0.00 0.00 55.06 55.85 1hjd s HIS 42 Cb -0.15 -1.88 -0.06 0.00 -0.13 0.00 0.00 32.58 30.36 1hjd s HIS 42 CO -0.20 0.46 -0.35 0.54 -2.47 0.00 0.00 174.74 172.72 1hjd n ARG 43 N -0.13 -0.29 -2.29 2.88 5.12 -1.24 -2.24 116.66 118.47 1hjd n ARG 43 Ca -0.04 -0.07 -0.04 0.00 -1.93 0.00 0.00 57.85 55.77 1hjd n ARG 43 Cb 0.52 -1.40 -0.00 0.00 -1.16 0.00 0.00 32.46 30.42 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 2.58 -0.37 3.20 -0.13 0.00 -1.25 -4.89 105.19 104.33 1hjd n GLY 44 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -4.65 2.59 0.62 1.61 0.74 -0.95 -4.92 119.66 114.70 1hjd s GLN 45 Ca 0.00 -1.16 -0.16 0.00 0.05 0.00 0.00 55.36 54.08 1hjd s GLN 45 Cb 0.00 -3.17 -0.02 0.00 1.10 0.00 0.00 33.01 30.92 1hjd s GLN 45 CO 0.00 -0.56 1.12 0.08 -0.55 0.00 0.00 175.29 175.38 1hjd s VAL 46 N 1.30 3.22 0.28 1.34 1.01 -1.26 -0.41 120.40 125.88 1hjd s VAL 46 Ca -0.03 0.63 0.02 0.00 0.00 0.00 0.00 61.98 62.60 1hjd s VAL 46 Cb -0.19 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 1hjd s VAL 46 CO -0.01 -0.29 0.09 -0.69 0.00 0.00 0.00 175.10 174.19 1hjd s VAL 47 N -2.16 0.72 -0.28 2.92 1.01 0.56 -0.13 120.40 123.04 1hjd s VAL 47 Ca 0.69 -2.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.64 1hjd s VAL 47 Cb -0.22 -2.68 0.09 0.00 0.00 0.00 0.00 36.38 33.58 1hjd s VAL 47 CO 0.37 0.00 0.11 -0.31 0.00 0.00 0.00 175.10 175.27 1hjd s TYR 48 N -3.63 0.77 0.23 5.22 2.02 0.39 -1.56 117.35 120.79 1hjd s TYR 48 Ca 0.37 -1.07 -0.30 0.00 -0.37 0.00 0.00 57.07 55.71 1hjd s TYR 48 Cb 0.08 -1.12 -0.09 0.00 -0.40 0.00 0.00 41.96 40.42 1hjd s TYR 48 CO 0.14 -0.79 1.27 0.08 -1.57 0.00 0.00 175.55 174.68 1hjd s VAL 49 N 1.94 3.17 -0.01 0.71 1.01 -0.80 -1.25 120.40 125.18 1hjd s VAL 49 Ca 0.08 1.03 0.01 0.00 0.00 0.00 0.00 61.98 63.09 1hjd s VAL 49 Cb -0.16 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 1hjd s VAL 49 CO -0.28 0.18 0.01 0.49 0.00 0.00 0.00 175.10 175.50 1hjd n PHE 50 N 2.07 0.00 -3.44 5.22 3.01 -0.54 -2.59 117.46 121.20 1hjd n PHE 50 Ca 0.04 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.51 1hjd n PHE 50 Cb 0.43 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.83 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 -2.65 -1.03 -0.21 4.37 0.15 0.12 -4.57 113.70 109.88 1hjd s SER 51 Ca -0.00 1.14 -0.10 0.00 0.70 0.00 0.00 55.95 57.69 1hjd s SER 51 Cb 0.00 2.06 -0.05 0.00 -1.71 0.00 0.00 66.02 66.33 1hjd s SER 51 CO 0.04 -0.20 0.12 -0.54 1.20 0.00 0.00 173.24 173.87 1hjd s LYS 52 N 2.80 4.10 -0.32 5.44 1.02 -1.22 0.10 119.74 131.66 1hjd s LYS 52 Ca 0.02 -0.26 -0.13 0.00 0.02 0.00 0.00 55.97 55.61 1hjd s LYS 52 Cb -0.11 -3.41 -0.02 0.00 -0.52 0.00 0.00 37.83 33.76 1hjd s LYS 52 CO -0.19 0.21 0.28 -1.17 -0.92 0.00 0.00 175.35 173.57 1hjd s LEU 53 N 0.60 4.36 0.00 3.17 0.20 -1.22 -0.59 118.68 125.20 1hjd s LEU 53 Ca 0.07 -0.22 0.00 0.00 0.69 0.00 0.00 54.13 54.67 1hjd s LEU 53 Cb -0.12 -2.23 0.00 0.00 -0.43 0.00 0.00 46.19 43.41 1hjd s LEU 53 CO 0.00 -0.23 0.00 2.29 -0.29 0.00 0.00 176.35 178.12 1hjd n LYS 54 N 5.21 1.29 -1.51 1.98 2.85 -1.07 -2.05 118.16 124.86 1hjd n LYS 54 Ca -0.11 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 56.97 1hjd n LYS 54 Cb 0.50 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.80 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 1.80 1.69 0.00 2.58 0.00 -1.26 -3.61 105.19 106.39 1hjd n GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.92 0.00 -2.77 1.61 5.12 -1.26 -4.94 116.66 112.50 1hjd n ARG 56 Ca -0.18 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.71 1hjd n ARG 56 Cb 0.65 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 31.99 1hjd n ARG 56 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1hjd n GLY 57 N 0.00 1.68 0.42 -0.13 0.00 -1.24 -4.90 105.19 101.03 1hjd n GLY 57 Ca 0.00 -1.16 0.24 0.00 0.00 0.00 0.00 46.02 45.10 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 2.77 0.00 0.00 1.61 2.43 -1.66 0.51 114.38 120.04 1hjd h ARG 58 Ca -0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1hjd h ARG 58 Cb 1.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1hjd h ARG 58 CO 0.31 0.00 0.00 1.47 -1.51 0.00 0.00 179.97 180.24 1hjd n LEU 59 N -4.21 0.00 -3.77 3.80 -0.00 -1.26 -4.31 117.00 107.24 1hjd n LEU 59 Ca 0.13 0.13 -0.30 0.00 -0.00 0.00 0.00 56.01 55.97 1hjd n LEU 59 Cb 0.77 -0.13 -0.14 0.00 -0.00 0.00 0.00 43.42 43.93 1hjd n LEU 59 CO 0.36 -0.04 -0.26 -0.36 -0.00 0.00 0.00 177.39 177.09 1hjd s PHE 60 N -2.25 2.25 0.70 1.47 0.40 0.18 -2.24 117.98 118.48 1hjd s PHE 60 Ca 0.27 -2.46 -0.03 0.00 -0.60 0.00 0.00 56.93 54.12 1hjd s PHE 60 Cb 0.15 -2.07 0.14 0.00 0.51 0.00 0.00 43.02 41.75 1hjd s PHE 60 CO 0.28 -0.81 0.96 0.91 0.70 0.00 0.00 175.22 177.26 1hjd n TRP 61 N 3.77 -3.16 -3.79 0.36 7.02 0.59 -3.39 117.44 118.84 1hjd n TRP 61 Ca 0.06 -1.49 -0.14 0.00 -1.02 0.00 0.00 57.50 54.91 1hjd n TRP 61 Cb 0.36 -0.71 -0.15 0.00 -2.42 0.00 0.00 31.31 28.39 1hjd n TRP 61 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1hjd s GLY 62 N -4.98 0.04 0.00 6.99 0.00 0.29 -1.78 107.32 107.87 1hjd s GLY 62 Ca 0.61 0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.65 1hjd s GLY 62 CO 0.41 0.57 0.00 0.61 0.00 0.00 0.00 173.10 174.70 1hjd n GLY 63 N 3.86 -0.90 3.42 0.20 0.00 -0.05 -0.71 105.19 111.00 1hjd n GLY 63 Ca -0.23 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 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 -4.00 -0.49 0.55 1.61 1.04 -0.38 0.98 113.70 113.00 1hjd s SER 64 Ca 0.00 0.29 -0.12 0.00 0.48 0.00 0.00 55.95 56.60 1hjd s SER 64 Cb 0.00 0.50 -0.05 0.00 0.10 0.00 0.00 66.02 66.57 1hjd s SER 64 CO 0.00 -0.70 0.96 -0.69 0.98 0.00 0.00 173.24 173.79 1hjd s VAL 65 N -2.19 4.68 0.91 5.02 1.01 -1.26 0.15 120.40 128.72 1hjd s VAL 65 Ca -0.07 0.88 -0.11 0.00 0.00 0.00 0.00 61.98 62.69 1hjd s VAL 65 Cb -0.01 -3.81 0.14 0.00 0.00 0.00 0.00 36.38 32.71 1hjd s VAL 65 CO 0.00 -0.90 1.09 0.00 0.00 0.00 0.00 175.10 175.30 1hjd s GLN 66 N -4.62 1.11 0.00 2.72 -2.07 0.81 -4.71 119.66 112.91 1hjd s GLN 66 Ca 0.55 0.99 0.00 0.00 -1.82 0.00 0.00 55.36 55.08 1hjd s GLN 66 Cb -0.10 -1.78 0.00 0.00 -1.09 0.00 0.00 33.01 30.04 1hjd s GLN 66 CO 0.43 -2.39 0.00 0.41 -1.32 0.00 0.00 175.29 172.42 1hjd n GLY 67 N -0.71 2.54 2.67 2.60 0.00 -1.26 -4.95 105.19 106.09 1hjd n GLY 67 Ca 0.08 -1.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.01 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 0.00 0.08 0.68 1.61 1.01 -1.26 -4.91 116.67 113.88 1hjd s ASP 68 Ca 0.00 -2.08 -0.17 0.00 0.71 0.00 0.00 52.55 51.01 1hjd s ASP 68 Cb 0.00 0.83 -0.00 0.00 1.01 0.00 0.00 42.92 44.76 1hjd s ASP 68 CO 0.00 -0.15 1.12 -1.22 0.21 0.00 0.00 175.17 175.14 1hjd n TYR 69 N 3.30 1.26 -2.28 4.23 4.02 -1.26 -4.99 117.16 121.44 1hjd n TYR 69 Ca 0.20 0.41 -0.30 0.00 -0.01 0.00 0.00 57.90 58.20 1hjd n TYR 69 Cb 0.51 -2.17 -0.00 0.00 -0.02 0.00 0.00 39.34 37.65 1hjd n TYR 69 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1hjd s TYR 70 N -1.61 3.57 -1.60 -0.72 1.51 -1.26 -3.95 117.35 113.29 1hjd s TYR 70 Ca 0.78 1.15 -0.00 0.00 -1.01 0.00 0.00 57.07 57.99 1hjd s TYR 70 Cb -0.37 -2.58 0.00 0.00 -0.11 0.00 0.00 41.96 38.90 1hjd s TYR 70 CO 0.45 -0.46 0.01 0.41 -1.11 0.00 0.00 175.55 174.86 1hjd n GLY 71 N -2.26 -0.50 2.65 0.71 0.00 -1.26 -4.79 105.19 99.73 1hjd n GLY 71 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.97 -1.00 -3.98 1.61 2.03 -1.25 -5.17 116.55 106.81 1hjd n ASP 72 Ca -0.22 -1.51 -0.29 0.00 0.52 0.00 0.00 54.79 53.29 1hjd n ASP 72 Cb 0.67 0.98 0.26 0.00 -0.72 0.00 0.00 41.12 42.30 1hjd n ASP 72 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1hjd s LEU 73 N -0.95 0.13 -0.33 -2.67 1.43 -1.26 -4.64 118.68 110.40 1hjd s LEU 73 Ca 0.20 1.02 -0.03 0.00 -1.03 0.00 0.00 54.13 54.29 1hjd s LEU 73 Cb 0.29 -2.74 0.00 0.00 0.03 0.00 0.00 46.19 43.78 1hjd s LEU 73 CO -0.22 -4.52 0.13 0.00 0.23 0.00 0.00 176.35 171.97 1hjd n ALA 74 N -5.08 -3.38 -0.58 4.21 0.00 -1.26 -4.96 120.51 109.45 1hjd n ALA 74 Ca 0.09 0.63 -0.30 0.00 0.00 0.00 0.00 53.44 53.86 1hjd n ALA 74 Cb 0.58 -1.56 0.21 0.00 0.00 0.00 0.00 19.45 18.67 1hjd n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hjd n ALA 75 N 0.47 -1.81 -2.49 0.00 0.00 -1.26 -4.96 120.51 110.45 1hjd n ALA 75 Ca 0.03 -0.85 -0.43 0.00 0.00 0.00 0.00 53.44 52.19 1hjd n ALA 75 Cb 0.10 -2.10 -0.09 0.00 0.00 0.00 0.00 19.45 17.36 1hjd n ALA 75 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1hjd s ARG 76 N -4.51 3.15 0.62 0.00 3.00 -1.26 -5.06 118.95 114.90 1hjd s ARG 76 Ca 0.68 -0.72 -0.18 0.00 0.00 0.00 0.00 55.73 55.50 1hjd s ARG 76 Cb -0.24 -3.95 -0.02 0.00 0.00 0.00 0.00 34.95 30.74 1hjd s ARG 76 CO 0.61 -0.80 1.27 -0.51 0.00 0.00 0.00 175.30 175.86 1hjd s LEU 77 N 2.10 3.62 0.32 2.53 1.02 -1.26 -4.79 118.68 122.22 1hjd s LEU 77 Ca 0.12 2.55 0.05 0.00 0.02 0.00 0.00 54.13 56.86 1hjd s LEU 77 Cb -0.17 -4.60 -0.03 0.00 0.02 0.00 0.00 46.19 41.42 1hjd s LEU 77 CO 0.13 -1.84 0.30 -0.83 0.02 0.00 0.00 176.35 174.13 1hjd s GLY 78 N -1.45 2.12 -0.09 -3.19 0.00 0.28 -4.91 107.32 100.08 1hjd s GLY 78 Ca 0.80 -1.95 0.03 0.00 0.00 0.00 0.00 44.72 43.60 1hjd s GLY 78 CO 0.37 -1.39 -0.19 -0.19 0.00 0.00 0.00 173.10 171.70 1hjd s TYR 79 N -3.44 2.18 0.10 1.90 2.02 -1.26 -0.88 117.35 117.98 1hjd s TYR 79 Ca 0.39 -0.91 -0.24 0.00 -0.37 0.00 0.00 57.07 55.94 1hjd s TYR 79 Cb 0.02 -1.50 0.07 0.00 -0.40 0.00 0.00 41.96 40.15 1hjd s TYR 79 CO 0.25 -0.40 0.59 -0.59 -1.57 0.00 0.00 175.55 173.84 1hjd s PHE 80 N 0.54 -0.53 1.00 2.71 -0.12 -0.73 -4.53 117.98 116.32 1hjd s PHE 80 Ca -0.15 0.47 -0.12 0.00 -0.05 0.00 0.00 56.93 57.08 1hjd s PHE 80 Cb -0.17 0.48 0.19 0.00 -0.63 0.00 0.00 43.02 42.89 1hjd s PHE 80 CO 0.05 -0.77 1.08 -1.25 -0.05 0.00 0.00 175.22 174.29 1hjd s PRO 81 N -3.09 0.39 0.04 1.99 0.04 -0.95 -0.30 135.00 133.12 1hjd s PRO 81 Ca -0.02 1.03 0.01 0.00 0.04 0.00 0.00 61.00 62.07 1hjd s PRO 81 Cb -0.01 -1.69 -0.26 0.00 0.04 0.00 0.00 34.50 32.59 1hjd s PRO 81 CO -0.07 -2.89 1.00 1.03 0.04 0.00 0.00 177.00 176.10 1hjd h SER 82 N -2.03 0.25 -0.87 6.66 0.87 -1.79 -3.32 113.55 113.32 1hjd h SER 82 Ca -0.52 -0.32 0.21 0.00 -1.23 0.00 0.00 61.79 59.93 1hjd h SER 82 Cb 1.30 -0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 63.12 1hjd h SER 82 CO 0.49 1.26 0.59 0.28 -0.53 0.00 0.00 176.83 178.92 1hjd h SER 83 N 0.04 0.31 0.56 6.23 0.02 -1.94 0.55 113.55 119.33 1hjd h SER 83 Ca -0.17 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1hjd h SER 83 Cb 1.94 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 64.46 1hjd h SER 83 CO 0.15 0.13 0.00 0.00 -1.14 0.00 0.00 176.83 175.97 1hjd n ILE 84 N -4.46 0.74 -4.31 3.27 0.13 -1.25 -4.69 119.36 108.79 1hjd n ILE 84 Ca 0.18 0.18 -0.20 0.00 -1.10 0.00 0.00 62.75 61.81 1hjd n ILE 84 Cb 0.73 -0.88 -0.08 0.00 -0.84 0.00 0.00 39.64 38.56 1hjd n ILE 84 CO 0.00 0.00 0.00 0.68 2.80 0.00 0.00 176.55 180.03 1hjd s VAL 85 N -2.93 0.07 -0.20 9.51 -7.23 0.19 0.12 120.40 119.92 1hjd s VAL 85 Ca 0.10 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.23 1hjd s VAL 85 Cb 0.12 -2.47 0.09 0.00 0.56 0.00 0.00 36.38 34.67 1hjd s VAL 85 CO 0.31 0.00 0.20 -0.60 -0.31 0.00 0.00 175.10 174.70 1hjd s ARG 86 N -3.48 0.17 -0.03 4.82 3.52 0.53 -4.64 118.95 119.84 1hjd s ARG 86 Ca 0.38 0.12 -0.30 0.00 -0.13 0.00 0.00 55.73 55.80 1hjd s ARG 86 Cb 0.02 -1.30 -0.05 0.00 -1.56 0.00 0.00 34.95 32.06 1hjd s ARG 86 CO 0.26 -0.69 1.53 -1.83 -0.81 0.00 0.00 175.30 173.77 1hjd s GLU 87 N 2.29 4.22 -0.10 5.12 1.03 -1.26 0.07 118.70 130.06 1hjd s GLU 87 Ca 0.06 2.08 -0.04 0.00 0.03 0.00 0.00 54.97 57.10 1hjd s GLU 87 Cb -0.16 -3.78 -0.05 0.00 -0.80 0.00 0.00 34.13 29.34 1hjd s GLU 87 CO -0.13 -0.74 -0.13 -3.47 -1.33 0.00 0.00 175.26 169.46 1hjd n ASP 88 N 6.34 1.07 -4.79 0.83 -0.08 -0.68 -4.94 116.55 114.30 1hjd n ASP 88 Ca 0.15 0.10 -0.31 0.00 -1.51 0.00 0.00 54.79 53.23 1hjd n ASP 88 Cb 0.43 -0.29 -0.07 0.00 2.34 0.00 0.00 41.12 43.53 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 -2.19 2.98 0.03 -0.67 0.74 -1.08 -5.00 119.66 114.46 1hjd s GLN 89 Ca -0.15 -0.61 0.01 0.00 0.05 0.00 0.00 55.36 54.67 1hjd s GLN 89 Cb 0.05 -2.79 -0.02 0.00 1.10 0.00 0.00 33.01 31.35 1hjd s GLN 89 CO 0.19 0.60 -0.05 0.95 -0.55 0.00 0.00 175.29 176.42 1hjd s THR 90 N -1.33 0.31 -0.11 -0.34 -4.23 -1.26 0.72 115.64 109.40 1hjd s THR 90 Ca 0.27 -0.95 0.13 0.00 -1.18 0.00 0.00 61.69 59.97 1hjd s THR 90 Cb -0.12 -0.41 0.28 0.00 1.34 0.00 0.00 72.50 73.58 1hjd s THR 90 CO 0.20 -0.42 1.18 -0.11 -0.54 0.00 0.00 174.62 174.92 1hjd n LEU 91 N 1.60 -0.18 -4.49 4.79 0.00 -0.70 -4.91 117.00 113.11 1hjd n LEU 91 Ca -0.23 -2.41 -0.43 0.00 0.00 0.00 0.00 56.01 52.94 1hjd n LEU 91 Cb 0.55 0.09 -0.05 0.00 0.00 0.00 0.00 43.42 44.01 1hjd n LEU 91 CO 0.21 1.21 0.53 -1.59 0.00 0.00 0.00 177.39 177.74 1hjd s LYS 92 N -0.55 3.25 0.37 1.96 -2.85 0.30 -4.53 119.74 117.69 1hjd s LYS 92 Ca 0.15 -0.51 0.20 0.00 -1.00 0.00 0.00 55.97 54.80 1hjd s LYS 92 Cb 0.25 -4.05 0.52 0.00 -2.06 0.00 0.00 37.83 32.48 1hjd s LYS 92 CO -0.08 -1.30 1.65 -1.00 0.10 0.00 0.00 175.35 174.73 1hjd h PRO 93 N 9.11 0.00 -4.92 1.78 0.13 -1.77 -3.46 132.00 132.86 1hjd h PRO 93 Ca -0.26 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.47 1hjd h PRO 93 Cb 1.09 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.07 1hjd h PRO 93 CO 1.01 0.33 -0.59 0.20 -0.23 0.00 0.00 178.00 178.72 1hjd s GLY 94 N -4.35 1.95 -0.37 1.56 0.00 -1.22 -4.83 107.32 100.05 1hjd s GLY 94 Ca 0.02 -1.79 0.12 0.00 0.00 0.00 0.00 44.72 43.07 1hjd s GLY 94 CO 0.69 -1.63 1.18 0.58 0.00 0.00 0.00 173.10 173.92 1hjd n LYS 95 N -0.56 1.16 -2.90 2.90 2.85 -0.85 -3.72 118.16 117.04 1hjd n LYS 95 Ca -0.00 -2.42 -0.39 0.00 -1.05 0.00 0.00 58.31 54.45 1hjd n LYS 95 Cb 0.66 -0.58 -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 -1.15 4.28 0.44 0.58 1.01 -0.76 -4.65 120.40 120.15 1hjd s VAL 96 Ca 0.24 1.79 -0.21 0.00 0.00 0.00 0.00 61.98 63.80 1hjd s VAL 96 Cb 0.42 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 32.55 1hjd s VAL 96 CO -0.04 0.44 0.99 -0.62 0.00 0.00 0.00 175.10 175.87 1hjd s ASP 97 N -1.27 6.71 -0.24 3.32 2.15 -1.26 0.16 116.67 126.24 1hjd s ASP 97 Ca 0.40 1.82 -0.03 0.00 0.43 0.00 0.00 52.55 55.17 1hjd s ASP 97 Cb -0.23 -2.55 0.10 0.00 -0.30 0.00 0.00 42.92 39.94 1hjd s ASP 97 CO 0.27 -0.52 0.20 -0.69 -0.17 0.00 0.00 175.17 174.26 1hjd s VAL 98 N -2.03 -0.25 0.22 1.11 1.01 0.40 -4.85 120.40 116.02 1hjd s VAL 98 Ca 0.63 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 1hjd s VAL 98 Cb -0.13 -0.82 -0.10 0.00 0.00 0.00 0.00 36.38 35.33 1hjd s VAL 98 CO 0.17 -0.42 1.41 -0.75 0.00 0.00 0.00 175.10 175.52 1hjd s LYS 99 N 2.25 4.30 0.72 2.72 2.20 -1.26 -0.75 119.74 129.92 1hjd s LYS 99 Ca 0.07 2.22 -0.11 0.00 -0.36 0.00 0.00 55.97 57.79 1hjd s LYS 99 Cb -0.15 -3.15 0.02 0.00 -1.51 0.00 0.00 37.83 33.04 1hjd s LYS 99 CO -0.23 -0.38 1.09 -0.08 -0.36 0.00 0.00 175.35 175.38 1hjd s THR 100 N 0.17 3.48 0.46 3.43 -1.32 -0.57 -4.94 115.64 116.36 1hjd s THR 100 Ca 0.60 0.48 -0.01 0.00 -1.21 0.00 0.00 61.69 61.54 1hjd s THR 100 Cb -0.40 -3.42 -0.01 0.00 -1.51 0.00 0.00 72.50 67.16 1hjd s THR 100 CO 0.40 -0.63 0.70 -1.81 -2.21 0.00 0.00 174.62 171.07 1hjd s ASP 101 N -4.25 5.92 0.21 8.08 1.11 -1.26 -4.84 116.67 121.65 1hjd s ASP 101 Ca 0.58 0.46 -0.06 0.00 0.18 0.00 0.00 52.55 53.71 1hjd s ASP 101 Cb -0.12 -1.73 0.17 0.00 1.07 0.00 0.00 42.92 42.31 1hjd s ASP 101 CO 0.52 -0.68 1.67 0.50 1.18 0.00 0.00 175.17 178.36 1hjd h LYS 102 N 0.34 0.92 0.00 8.23 3.11 -2.02 -3.33 116.57 123.83 1hjd h LYS 102 Ca -0.47 -0.30 0.00 0.00 -2.81 0.00 0.00 60.65 57.07 1hjd h LYS 102 Cb 1.24 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.39 1hjd h LYS 102 CO 0.59 0.96 0.00 0.91 -2.81 0.00 0.00 179.45 179.09 1hjd n TRP 103 N -4.17 0.00 -2.44 1.91 7.02 -1.26 -4.97 117.44 113.53 1hjd n TRP 103 Ca 0.02 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.45 1hjd n TRP 103 Cb 0.36 -0.06 0.01 0.00 -2.42 0.00 0.00 31.31 29.20 1hjd n TRP 103 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1hjd n ASP 104 N -1.01 -6.25 -4.85 -0.99 2.03 -1.25 -5.02 116.55 99.21 1hjd n ASP 104 Ca 0.00 0.48 -0.38 0.00 0.52 0.00 0.00 54.79 55.41 1hjd n ASP 104 Cb 0.00 -4.12 -0.06 0.00 -0.72 0.00 0.00 41.12 36.22 1hjd n ASP 104 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1hjd s PHE 105 N -2.00 3.68 -0.28 -0.67 5.36 -1.26 -5.08 117.98 117.73 1hjd s PHE 105 Ca 0.15 0.83 -0.21 0.00 -0.96 0.00 0.00 56.93 56.74 1hjd s PHE 105 Cb -0.04 -2.17 0.12 0.00 -0.34 0.00 0.00 43.02 40.59 1hjd s PHE 105 CO 0.55 0.68 0.95 -0.47 -1.46 0.00 0.00 175.22 175.46 1hjd s TYR 106 N -1.06 -0.60 -0.42 10.12 5.04 -1.26 -5.05 117.35 124.12 1hjd s TYR 106 Ca 0.21 1.34 -0.15 0.00 -2.44 0.00 0.00 57.07 56.02 1hjd s TYR 106 Cb -0.15 0.38 0.02 0.00 0.35 0.00 0.00 41.96 42.56 1hjd s TYR 106 CO 0.10 -0.29 0.54 0.00 -1.34 0.00 0.00 175.55 174.56