#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hjd n ASP 9 N 0.00 -2.66 -4.15 0.00 9.92 -1.26 -4.96 116.55 113.44 1hjd n ASP 9 Ca 0.00 -0.53 -0.18 0.00 -0.53 0.00 0.00 54.79 53.55 1hjd n ASP 9 Cb 0.00 -4.52 -0.12 0.00 -0.64 0.00 0.00 41.12 35.84 1hjd n ASP 9 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1hjd s ARG 10 N -5.34 0.78 -0.08 -1.24 3.00 -1.25 -2.26 118.95 112.57 1hjd s ARG 10 Ca 0.08 -0.91 -0.07 0.00 0.00 0.00 0.00 55.73 54.83 1hjd s ARG 10 Cb -0.04 -0.76 0.02 0.00 0.00 0.00 0.00 34.95 34.17 1hjd s ARG 10 CO 0.64 0.17 0.20 -1.59 0.00 0.00 0.00 175.30 174.72 1hjd s LYS 11 N -1.68 0.23 0.13 3.54 -2.85 0.76 -1.65 119.74 118.22 1hjd s LYS 11 Ca -0.03 0.30 -0.19 0.00 -1.00 0.00 0.00 55.97 55.05 1hjd s LYS 11 Cb -0.10 0.09 -0.07 0.00 -2.06 0.00 0.00 37.83 35.69 1hjd s LYS 11 CO 0.02 -0.04 0.62 -0.51 0.10 0.00 0.00 175.35 175.54 1hjd s LEU 12 N 0.21 4.46 0.14 2.77 1.02 -1.25 0.18 118.68 126.22 1hjd s LEU 12 Ca -0.01 1.30 -0.08 0.00 0.02 0.00 0.00 54.13 55.36 1hjd s LEU 12 Cb -0.02 -3.15 -0.01 0.00 0.02 0.00 0.00 46.19 43.03 1hjd s LEU 12 CO -0.00 0.19 0.24 0.00 0.02 0.00 0.00 176.35 176.79 1hjd s ALA 14 N -3.95 0.56 0.28 0.00 0.00 -1.25 -0.98 121.76 116.42 1hjd s ALA 14 Ca 0.14 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1hjd s ALA 14 Cb 0.04 -4.65 0.00 0.00 0.00 0.00 0.00 23.12 18.51 1hjd s ALA 14 CO -0.03 -6.52 0.00 -0.25 0.00 0.00 0.00 175.76 168.96 1hjd n ASP 15 N 19.28 -7.94 -4.05 0.00 8.00 -1.26 -3.39 116.55 127.19 1hjd n ASP 15 Ca 0.44 1.31 -0.35 0.00 0.71 0.00 0.00 54.79 56.89 1hjd n ASP 15 Cb 0.45 -3.67 -0.07 0.00 -0.02 0.00 0.00 41.12 37.81 1hjd n ASP 15 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1hjd n GLN 16 N -3.84 1.16 0.05 -1.24 7.27 -1.26 -3.09 117.38 116.42 1hjd n GLN 16 Ca 0.01 -1.93 0.00 0.00 0.07 0.00 0.00 57.00 55.15 1hjd n GLN 16 Cb 0.55 -3.26 0.00 0.00 2.41 0.00 0.00 30.24 29.95 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 7.73 0.00 -2.60 3.69 2.13 -1.25 -5.02 120.64 125.32 1hjd n GLU 17 Ca 0.47 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 58.07 1hjd n GLU 17 Cb 0.44 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.15 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 -2.17 1.99 -4.80 0.00 7.64 -1.26 -4.90 113.62 110.12 1hjd n SER 19 Ca -0.20 0.22 -0.38 0.00 1.01 0.00 0.00 58.87 59.52 1hjd n SER 19 Cb 0.67 -0.77 -0.06 0.00 -1.01 0.00 0.00 64.21 63.03 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 -2.56 3.76 1.17 1.43 3.76 -1.26 -5.06 115.29 116.53 1hjd s HIS 20 Ca -0.21 1.49 -0.17 0.00 -0.15 0.00 0.00 55.06 56.02 1hjd s HIS 20 Cb 0.07 -2.68 0.25 0.00 1.11 0.00 0.00 32.58 31.32 1hjd s HIS 20 CO 0.77 0.42 0.53 -2.30 -0.85 0.00 0.00 174.74 173.31 1hjd n PRO 21 N 1.11 -3.14 -0.07 8.40 -0.02 -1.26 -4.61 135.00 135.40 1hjd n PRO 21 Ca -0.04 -0.93 -0.15 0.00 -2.02 0.00 0.00 63.50 60.36 1hjd n PRO 21 Cb 0.50 -1.65 -0.06 0.00 -0.02 0.00 0.00 33.50 32.28 1hjd n PRO 21 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1hjd n ILE 22 N -4.90 0.82 -3.91 4.25 0.13 -1.01 -4.52 119.36 110.22 1hjd n ILE 22 Ca 0.08 -0.23 0.00 0.00 -1.10 0.00 0.00 62.75 61.50 1hjd n ILE 22 Cb 0.44 -1.55 0.00 0.00 -0.84 0.00 0.00 39.64 37.69 1hjd n ILE 22 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 1hjd n SER 23 N -3.51 0.00 -3.99 9.51 3.41 -1.19 0.10 113.62 117.96 1hjd n SER 23 Ca -0.29 -0.94 -0.20 0.00 -0.26 0.00 0.00 58.87 57.19 1hjd n SER 23 Cb 0.72 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.52 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 -1.82 0.87 -0.04 4.33 1.75 0.69 -2.51 119.30 122.58 1hjd s MET 24 Ca 0.00 -0.27 -0.05 0.00 -1.25 0.00 0.00 55.69 54.12 1hjd s MET 24 Cb 0.00 -0.83 0.01 0.00 2.84 0.00 0.00 34.83 36.85 1hjd s MET 24 CO 0.00 0.10 0.13 0.00 -0.65 0.00 0.00 175.02 174.59 1hjd s ALA 25 N 0.22 -0.31 0.12 4.11 0.00 0.11 -1.12 121.76 124.89 1hjd s ALA 25 Ca -0.03 0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.21 1hjd s ALA 25 Cb -0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1hjd s ALA 25 CO 0.00 -0.09 0.23 0.08 0.00 0.00 0.00 175.76 175.98 1hjd s VAL 26 N -0.20 5.17 0.14 0.00 1.01 -0.57 0.16 120.40 126.11 1hjd s VAL 26 Ca -0.03 -0.66 -0.31 0.00 0.00 0.00 0.00 61.98 60.98 1hjd s VAL 26 Cb -0.02 -3.61 -0.09 0.00 0.00 0.00 0.00 36.38 32.66 1hjd s VAL 26 CO 0.00 -0.01 1.49 0.00 0.00 0.00 0.00 175.10 176.58 1hjd s ALA 27 N -1.65 3.69 -2.55 5.51 0.00 0.28 0.15 121.76 127.19 1hjd s ALA 27 Ca 0.34 1.25 0.26 0.00 0.00 0.00 0.00 51.96 53.81 1hjd s ALA 27 Cb -0.12 -3.58 0.81 0.00 0.00 0.00 0.00 23.12 20.23 1hjd s ALA 27 CO 0.27 -0.71 1.60 -0.11 0.00 0.00 0.00 175.76 176.82 1hjd n LEU 28 N 3.99 1.91 0.00 0.00 0.00 0.29 -3.90 117.00 119.29 1hjd n LEU 28 Ca 0.13 -0.68 0.00 0.00 0.00 0.00 0.00 56.01 55.46 1hjd n LEU 28 Cb 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 43.42 43.79 1hjd n LEU 28 CO 0.60 0.34 0.00 0.00 0.00 0.00 0.00 177.39 178.33 1hjd n GLN 29 N 0.48 -1.98 -2.47 1.96 10.64 -1.24 -4.96 117.38 119.81 1hjd n GLN 29 Ca 0.18 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 54.99 1hjd n GLN 29 Cb 0.41 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.76 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 6.42 -0.40 2.61 2.15 -1.26 -3.92 116.67 122.28 1hjd s ASP 30 Ca 0.00 2.05 0.07 0.00 0.43 0.00 0.00 52.55 55.10 1hjd s ASP 30 Cb 0.00 -2.58 0.18 0.00 -0.30 0.00 0.00 42.92 40.22 1hjd s ASP 30 CO 0.00 -0.73 0.65 -0.47 -0.17 0.00 0.00 175.17 174.46 1hjd s TYR 31 N -1.77 -1.66 0.07 -5.34 5.04 0.17 -4.92 117.35 108.95 1hjd s TYR 31 Ca 0.63 0.31 -0.31 0.00 -2.44 0.00 0.00 57.07 55.27 1hjd s TYR 31 Cb -0.21 0.30 -0.08 0.00 0.35 0.00 0.00 41.96 42.32 1hjd s TYR 31 CO 0.26 -1.11 1.62 -1.64 -1.34 0.00 0.00 175.55 173.34 1hjd s MET 32 N 1.94 4.21 0.05 4.97 -1.94 -1.26 -1.10 119.30 126.16 1hjd s MET 32 Ca 0.16 2.30 -0.35 0.00 -1.71 0.00 0.00 55.69 56.08 1hjd s MET 32 Cb -0.04 -3.56 -0.18 0.00 2.01 0.00 0.00 34.83 33.05 1hjd s MET 32 CO -0.09 -0.71 0.88 0.00 -0.01 0.00 0.00 175.02 175.09 1hjd n ALA 33 N 5.45 -3.31 0.04 3.03 0.00 -1.26 -4.86 120.51 119.59 1hjd n ALA 33 Ca 0.15 0.53 -0.11 0.00 0.00 0.00 0.00 53.44 54.02 1hjd n ALA 33 Cb 0.41 -1.64 -0.04 0.00 0.00 0.00 0.00 19.45 18.18 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 2.34 -0.26 0.00 0.00 0.11 -1.93 -3.46 132.00 128.79 1hjd h PRO 34 Ca -0.43 0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.73 1hjd h PRO 34 Cb 1.37 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.53 1hjd h PRO 34 CO 0.60 -0.18 0.12 -0.25 -0.21 0.00 0.00 178.00 178.09 1hjd n ASP 35 N -5.31 -0.45 -3.11 -2.05 8.00 -1.26 -4.99 116.55 107.38 1hjd n ASP 35 Ca -0.04 -1.26 -0.23 0.00 0.71 0.00 0.00 54.79 53.97 1hjd n ASP 35 Cb 0.23 0.74 0.04 0.00 -0.02 0.00 0.00 41.12 42.11 1hjd n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hjd n ARG 37 N -4.15 -1.92 -0.24 0.00 1.85 -1.26 -4.88 116.66 106.05 1hjd n ARG 37 Ca -0.09 0.11 -0.26 0.00 -1.00 0.00 0.00 57.85 56.60 1hjd n ARG 37 Cb 0.61 -4.67 0.25 0.00 -1.05 0.00 0.00 32.46 27.61 1hjd n ARG 37 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1hjd n PHE 38 N -3.39 -3.59 -3.33 2.89 3.72 -0.97 -4.97 117.46 107.83 1hjd n PHE 38 Ca 0.06 -0.72 -0.38 0.00 -0.05 0.00 0.00 57.45 56.35 1hjd n PHE 38 Cb 0.48 -1.08 -0.07 0.00 -0.94 0.00 0.00 39.48 37.87 1hjd n PHE 38 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1hjd s LEU 39 N 0.00 4.17 0.77 4.37 2.96 -1.26 -4.68 118.68 125.01 1hjd s LEU 39 Ca 0.58 0.61 -0.10 0.00 -0.22 0.00 0.00 54.13 55.01 1hjd s LEU 39 Cb -0.10 -2.60 0.07 0.00 0.50 0.00 0.00 46.19 44.06 1hjd s LEU 39 CO 0.49 -0.10 1.12 0.28 -1.32 0.00 0.00 176.35 176.83 1hjd s THR 40 N 1.29 2.10 0.08 3.68 -1.32 -1.26 -4.43 115.64 115.79 1hjd s THR 40 Ca 0.22 -0.09 0.08 0.00 -1.21 0.00 0.00 61.69 60.69 1hjd s THR 40 Cb -0.15 -3.00 -0.03 0.00 -1.51 0.00 0.00 72.50 67.81 1hjd s THR 40 CO 0.09 -0.00 -0.22 -0.63 -2.21 0.00 0.00 174.62 171.65 1hjd s ILE 41 N -3.47 1.78 0.03 5.08 1.01 -0.26 -4.91 121.20 120.46 1hjd s ILE 41 Ca 0.61 -1.44 0.01 0.00 0.00 0.00 0.00 60.65 59.83 1hjd s ILE 41 Cb -0.11 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.76 1hjd s ILE 41 CO 0.48 0.07 -0.06 -2.28 0.00 0.00 0.00 174.94 173.15 1hjd s HIS 42 N -1.01 0.50 0.98 3.97 2.46 -1.26 0.44 115.29 121.37 1hjd s HIS 42 Ca 0.08 -0.53 -0.15 0.00 0.47 0.00 0.00 55.06 54.93 1hjd s HIS 42 Cb -0.10 -0.31 -0.05 0.00 -0.13 0.00 0.00 32.58 31.99 1hjd s HIS 42 CO 0.03 -0.13 -0.16 0.54 -2.47 0.00 0.00 174.74 172.55 1hjd n ARG 43 N 1.48 -0.19 -4.11 2.88 5.12 -1.25 -3.07 116.66 117.53 1hjd n ARG 43 Ca -0.23 -0.03 -0.28 0.00 -1.93 0.00 0.00 57.85 55.38 1hjd n ARG 43 Cb 0.55 -1.47 -0.05 0.00 -1.16 0.00 0.00 32.46 30.33 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 2.41 -0.19 2.76 -0.13 0.00 -1.25 -4.95 105.19 103.83 1hjd n GLY 44 Ca 0.03 0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 -6.89 0.73 0.66 1.61 0.74 -1.17 -4.97 119.66 110.37 1hjd s GLN 45 Ca 0.04 -0.36 -0.14 0.00 0.05 0.00 0.00 55.36 54.94 1hjd s GLN 45 Cb -0.02 -1.95 -0.00 0.00 1.10 0.00 0.00 33.01 32.14 1hjd s GLN 45 CO 0.93 -0.57 1.09 0.08 -0.55 0.00 0.00 175.29 176.27 1hjd s VAL 46 N 1.85 3.48 -0.02 1.34 1.01 -1.26 0.10 120.40 126.90 1hjd s VAL 46 Ca -0.00 0.64 -0.10 0.00 0.00 0.00 0.00 61.98 62.52 1hjd s VAL 46 Cb -0.16 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 33.05 1hjd s VAL 46 CO -0.07 -0.47 0.21 -0.69 0.00 0.00 0.00 175.10 174.08 1hjd s VAL 47 N -2.50 0.06 -0.40 2.92 1.01 0.42 0.95 120.40 122.86 1hjd s VAL 47 Ca 0.64 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 1hjd s VAL 47 Cb -0.18 -0.48 0.11 0.00 0.00 0.00 0.00 36.38 35.83 1hjd s VAL 47 CO 0.43 -0.28 0.17 -0.31 0.00 0.00 0.00 175.10 175.12 1hjd s TYR 48 N -1.12 3.63 0.10 5.22 2.02 0.32 0.07 117.35 127.59 1hjd s TYR 48 Ca -0.12 -2.58 -0.31 0.00 -0.37 0.00 0.00 57.07 53.69 1hjd s TYR 48 Cb -0.06 -3.15 -0.07 0.00 -0.40 0.00 0.00 41.96 38.28 1hjd s TYR 48 CO 0.02 -0.96 1.36 0.08 -1.57 0.00 0.00 175.55 174.48 1hjd s VAL 49 N 1.05 3.44 -0.12 0.71 1.01 -1.04 -1.65 120.40 123.79 1hjd s VAL 49 Ca 0.09 1.02 0.15 0.00 0.00 0.00 0.00 61.98 63.25 1hjd s VAL 49 Cb -0.22 -3.66 -0.22 0.00 0.00 0.00 0.00 36.38 32.29 1hjd s VAL 49 CO -0.05 0.07 0.15 0.49 0.00 0.00 0.00 175.10 175.76 1hjd n PHE 50 N 4.07 0.00 -3.57 5.22 3.72 -0.51 -2.40 117.46 123.99 1hjd n PHE 50 Ca 0.11 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.43 1hjd n PHE 50 Cb 0.43 -0.67 -0.02 0.00 -0.94 0.00 0.00 39.48 38.28 1hjd n PHE 50 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1hjd s SER 51 N -4.67 -0.38 -0.39 4.37 0.01 -0.49 -4.37 113.70 107.78 1hjd s SER 51 Ca -0.07 -0.15 0.01 0.00 1.31 0.00 0.00 55.95 57.05 1hjd s SER 51 Cb 0.07 0.51 0.15 0.00 0.21 0.00 0.00 66.02 66.95 1hjd s SER 51 CO 0.67 -0.86 0.25 -1.59 0.41 0.00 0.00 173.24 172.12 1hjd s LYS 52 N -3.43 0.79 0.21 12.44 -2.85 -1.25 0.40 119.74 126.04 1hjd s LYS 52 Ca 0.06 -1.67 -0.31 0.00 -1.00 0.00 0.00 55.97 53.05 1hjd s LYS 52 Cb -0.02 -1.52 -0.11 0.00 -2.06 0.00 0.00 37.83 34.12 1hjd s LYS 52 CO -0.06 -1.25 1.61 -1.17 0.10 0.00 0.00 175.35 174.57 1hjd s LEU 53 N 0.65 4.37 0.00 2.77 0.20 -1.26 -3.86 118.68 121.55 1hjd s LEU 53 Ca 0.22 2.76 0.00 0.00 0.69 0.00 0.00 54.13 57.80 1hjd s LEU 53 Cb -0.16 -3.61 0.00 0.00 -0.43 0.00 0.00 46.19 42.00 1hjd s LEU 53 CO -0.05 -0.87 0.00 0.29 -0.29 0.00 0.00 176.35 175.43 1hjd n LYS 54 N 3.49 1.46 0.00 1.98 5.02 -0.66 -3.18 118.16 126.27 1hjd n LYS 54 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1hjd n LYS 54 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.38 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 2.23 2.28 0.69 0.72 0.00 -1.26 -3.86 105.19 105.99 1hjd n GLY 55 Ca 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 46.02 45.57 1hjd n GLY 55 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1hjd n ARG 56 N 0.00 0.00 -0.67 1.61 1.85 -1.26 -4.85 116.66 113.34 1hjd n ARG 56 Ca 0.00 -0.65 -0.03 0.00 -1.00 0.00 0.00 57.85 56.17 1hjd n ARG 56 Cb 0.00 -0.05 -0.03 0.00 -1.05 0.00 0.00 32.46 31.33 1hjd n ARG 56 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1hjd n GLY 57 N 0.05 0.42 0.49 2.89 0.00 -1.26 -4.96 105.19 102.81 1hjd n GLY 57 Ca -0.04 0.00 0.31 0.00 0.00 0.00 0.00 46.02 46.28 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 0.06 0.00 1.61 2.43 -1.81 0.84 114.38 117.51 1hjd h ARG 58 Ca -0.25 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1hjd h ARG 58 Cb 0.99 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1hjd h ARG 58 CO -0.13 0.04 0.00 1.47 -1.51 0.00 0.00 179.97 179.84 1hjd n LEU 59 N -4.28 0.11 -3.87 3.80 -0.00 -1.26 -4.18 117.00 107.32 1hjd n LEU 59 Ca 0.23 0.53 -0.30 0.00 -0.00 0.00 0.00 56.01 56.47 1hjd n LEU 59 Cb 1.07 -0.52 -0.14 0.00 -0.00 0.00 0.00 43.42 43.84 1hjd n LEU 59 CO 0.38 -0.33 -0.22 0.12 -0.00 0.00 0.00 177.39 177.34 1hjd s PHE 60 N -3.06 2.78 0.80 1.47 5.36 0.29 -1.52 117.98 124.10 1hjd s PHE 60 Ca 0.06 -2.85 -0.13 0.00 -0.96 0.00 0.00 56.93 53.05 1hjd s PHE 60 Cb 0.09 -2.48 0.18 0.00 -0.34 0.00 0.00 43.02 40.47 1hjd s PHE 60 CO 0.26 -0.78 1.08 0.91 -1.46 0.00 0.00 175.22 175.24 1hjd n TRP 61 N 3.44 -3.98 -4.26 10.12 7.02 -0.98 -4.31 117.44 124.50 1hjd n TRP 61 Ca 0.06 -0.97 -0.25 0.00 -1.02 0.00 0.00 57.50 55.32 1hjd n TRP 61 Cb 0.34 -0.84 -0.17 0.00 -2.42 0.00 0.00 31.31 28.23 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 -5.36 0.74 0.00 6.99 0.00 0.16 -2.49 107.32 107.36 1hjd s GLY 62 Ca 0.62 -0.39 0.00 0.00 0.00 0.00 0.00 44.72 44.94 1hjd s GLY 62 CO 0.43 0.44 0.00 0.61 0.00 0.00 0.00 173.10 174.58 1hjd n GLY 63 N 4.28 2.80 3.53 0.20 0.00 -0.18 -1.39 105.19 114.42 1hjd n GLY 63 Ca -0.19 -0.64 -0.07 0.00 0.00 0.00 0.00 46.02 45.12 1hjd n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hjd s SER 64 N 2.00 -0.82 0.43 1.61 0.01 -0.66 0.11 113.70 116.38 1hjd s SER 64 Ca 0.00 1.33 -0.23 0.00 1.31 0.00 0.00 55.95 58.37 1hjd s SER 64 Cb 0.00 1.30 -0.09 0.00 0.21 0.00 0.00 66.02 67.45 1hjd s SER 64 CO 0.00 -0.23 1.05 0.68 0.41 0.00 0.00 173.24 175.16 1hjd s VAL 65 N 1.73 3.70 0.39 3.43 -7.23 -1.26 0.12 120.40 121.27 1hjd s VAL 65 Ca -0.09 1.21 -0.04 0.00 -1.81 0.00 0.00 61.98 61.25 1hjd s VAL 65 Cb -0.07 -3.58 -0.04 0.00 0.56 0.00 0.00 36.38 33.25 1hjd s VAL 65 CO -0.18 -0.08 0.66 -1.10 -0.31 0.00 0.00 175.10 174.10 1hjd s GLN 66 N -2.76 3.58 -0.35 4.82 -0.21 0.27 -4.78 119.66 120.23 1hjd s GLN 66 Ca 0.61 0.04 0.04 0.00 0.02 0.00 0.00 55.36 56.08 1hjd s GLN 66 Cb -0.21 -2.52 0.20 0.00 1.00 0.00 0.00 33.01 31.49 1hjd s GLN 66 CO 0.25 0.02 1.19 0.41 -2.12 0.00 0.00 175.29 175.04 1hjd n GLY 67 N -1.67 -0.10 3.57 3.09 0.00 -1.26 -4.56 105.19 104.26 1hjd n GLY 67 Ca -0.01 0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1hjd n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hjd s ASP 68 N -0.56 4.94 -0.28 1.61 2.15 -1.26 -4.89 116.67 118.38 1hjd s ASP 68 Ca 0.12 1.29 -0.19 0.00 0.43 0.00 0.00 52.55 54.20 1hjd s ASP 68 Cb 0.20 -2.51 0.10 0.00 -0.30 0.00 0.00 42.92 40.41 1hjd s ASP 68 CO -0.06 -2.46 0.80 -0.31 -0.17 0.00 0.00 175.17 172.98 1hjd s TYR 69 N 10.30 -0.83 0.25 -5.34 2.02 -1.26 -5.15 117.35 117.34 1hjd s TYR 69 Ca 0.94 1.75 -0.30 0.00 -0.37 0.00 0.00 57.07 59.10 1hjd s TYR 69 Cb -0.22 0.47 -0.09 0.00 -0.40 0.00 0.00 41.96 41.71 1hjd s TYR 69 CO 0.29 -0.41 1.23 -0.47 -1.57 0.00 0.00 175.55 174.62 1hjd s TYR 70 N 1.15 3.32 0.00 2.71 5.04 -1.26 -3.51 117.35 124.80 1hjd s TYR 70 Ca -0.06 1.44 0.00 0.00 -2.44 0.00 0.00 57.07 56.01 1hjd s TYR 70 Cb -0.05 -3.50 0.00 0.00 0.35 0.00 0.00 41.96 38.76 1hjd s TYR 70 CO -0.13 -1.38 0.00 0.41 -1.34 0.00 0.00 175.55 173.10 1hjd n GLY 71 N 1.62 0.82 2.65 8.97 0.00 -1.26 -4.97 105.19 113.02 1hjd n GLY 71 Ca 0.02 -0.64 -0.02 0.00 0.00 0.00 0.00 46.02 45.38 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 1.42 -1.01 -4.60 1.61 -0.08 -1.23 -5.14 116.55 107.52 1hjd n ASP 72 Ca 0.00 -1.52 -0.40 0.00 -1.51 0.00 0.00 54.79 51.36 1hjd n ASP 72 Cb 0.40 0.99 -0.08 0.00 2.34 0.00 0.00 41.12 44.77 1hjd n ASP 72 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1hjd s LEU 73 N -0.97 4.09 0.00 -2.67 1.02 -1.26 -4.77 118.68 114.12 1hjd s LEU 73 Ca 0.20 0.38 0.00 0.00 0.02 0.00 0.00 54.13 54.74 1hjd s LEU 73 Cb 0.30 -2.60 0.00 0.00 0.02 0.00 0.00 46.19 43.91 1hjd s LEU 73 CO -0.22 -0.29 0.00 0.00 0.02 0.00 0.00 176.35 175.85 1hjd n ALA 74 N 5.53 0.00 -2.84 4.21 0.00 -1.26 -5.17 120.51 120.98 1hjd n ALA 74 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.06 1hjd n ALA 74 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 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 3.76 -0.13 0.00 0.00 -1.26 -5.06 121.76 119.06 1hjd s ALA 75 Ca 0.00 -0.84 -0.11 0.00 0.00 0.00 0.00 51.96 51.01 1hjd s ALA 75 Cb 0.00 -1.70 0.04 0.00 0.00 0.00 0.00 23.12 21.46 1hjd s ALA 75 CO 0.00 0.73 0.35 1.03 0.00 0.00 0.00 175.76 177.86 1hjd s ARG 76 N -1.93 0.39 0.17 0.00 0.52 -1.26 -5.14 118.95 111.70 1hjd s ARG 76 Ca 0.26 0.52 -0.30 0.00 -0.52 0.00 0.00 55.73 55.69 1hjd s ARG 76 Cb -0.12 0.15 -0.08 0.00 0.52 0.00 0.00 34.95 35.41 1hjd s ARG 76 CO 0.18 -0.07 1.31 -0.51 0.02 0.00 0.00 175.30 176.23 1hjd s LEU 77 N 0.40 4.41 0.08 2.53 1.02 -1.26 -4.25 118.68 121.60 1hjd s LEU 77 Ca -0.02 2.35 0.09 0.00 0.02 0.00 0.00 54.13 56.57 1hjd s LEU 77 Cb -0.04 -3.60 -0.03 0.00 0.02 0.00 0.00 46.19 42.54 1hjd s LEU 77 CO -0.02 -0.54 -0.24 -0.83 0.02 0.00 0.00 176.35 174.75 1hjd s GLY 78 N 0.52 1.32 -0.26 -3.19 0.00 0.31 -4.92 107.32 101.10 1hjd s GLY 78 Ca 0.58 -1.25 -0.03 0.00 0.00 0.00 0.00 44.72 44.03 1hjd s GLY 78 CO 0.36 -1.20 -0.03 -0.19 0.00 0.00 0.00 173.10 172.05 1hjd s TYR 79 N -0.94 3.10 0.08 1.90 1.51 -1.26 -1.01 117.35 120.72 1hjd s TYR 79 Ca 0.10 -1.46 -0.25 0.00 -1.01 0.00 0.00 57.07 54.45 1hjd s TYR 79 Cb -0.10 -2.10 0.07 0.00 -0.11 0.00 0.00 41.96 39.72 1hjd s TYR 79 CO 0.03 -0.70 0.60 -0.59 -1.11 0.00 0.00 175.55 173.78 1hjd s PHE 80 N 1.35 -0.54 0.20 2.71 -0.12 -1.04 -4.83 117.98 115.72 1hjd s PHE 80 Ca 0.00 0.57 -0.32 0.00 -0.05 0.00 0.00 56.93 57.12 1hjd s PHE 80 Cb -0.17 0.46 -0.13 0.00 -0.63 0.00 0.00 43.02 42.56 1hjd s PHE 80 CO -0.03 -0.74 1.66 -0.35 -0.05 0.00 0.00 175.22 175.71 1hjd n PRO 81 N 0.15 2.54 0.20 1.99 -0.04 -0.58 -2.32 135.00 136.94 1hjd n PRO 81 Ca -0.18 0.91 0.14 0.00 -0.04 0.00 0.00 63.50 64.33 1hjd n PRO 81 Cb 0.62 -2.73 0.74 0.00 -0.04 0.00 0.00 33.50 32.10 1hjd n PRO 81 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1hjd h SER 82 N 6.27 0.00 -1.03 3.54 4.64 -1.87 -1.88 113.55 123.22 1hjd h SER 82 Ca -0.44 0.00 0.28 0.00 -0.47 0.00 0.00 61.79 61.16 1hjd h SER 82 Cb 1.22 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.25 1hjd h SER 82 CO 0.92 0.00 0.71 0.77 -0.87 0.00 0.00 176.83 178.36 1hjd h SER 83 N 0.00 0.17 -0.07 4.97 4.64 -1.94 0.45 113.55 121.77 1hjd h SER 83 Ca 0.07 0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.33 1hjd h SER 83 Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1hjd h SER 83 CO -0.00 0.04 -0.21 0.40 -0.87 0.00 0.00 176.83 176.19 1hjd h ILE 84 N 0.16 1.25 -0.60 0.95 2.04 -1.72 -3.45 117.51 116.15 1hjd h ILE 84 Ca 0.52 -1.18 -0.55 0.00 1.00 0.00 0.00 64.86 64.64 1hjd h ILE 84 Cb 1.77 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 39.12 1hjd h ILE 84 CO -0.11 0.38 -0.22 0.68 0.00 0.00 0.00 178.15 178.88 1hjd s VAL 85 N -4.57 1.78 -0.21 1.67 -7.23 0.16 0.11 120.40 112.10 1hjd s VAL 85 Ca -0.07 -1.32 -0.04 0.00 -1.81 0.00 0.00 61.98 58.74 1hjd s VAL 85 Cb 0.14 -2.10 0.07 0.00 0.56 0.00 0.00 36.38 35.05 1hjd s VAL 85 CO 0.78 0.00 0.08 0.00 -0.31 0.00 0.00 175.10 175.65 1hjd s ARG 86 N -4.43 0.34 0.16 4.82 1.04 0.41 -4.68 118.95 116.61 1hjd s ARG 86 Ca 0.43 -0.36 -0.30 0.00 -1.04 0.00 0.00 55.73 54.46 1hjd s ARG 86 Cb -0.03 -1.82 -0.08 0.00 -2.04 0.00 0.00 34.95 30.98 1hjd s ARG 86 CO 0.27 -0.75 1.26 -1.83 -0.04 0.00 0.00 175.30 174.21 1hjd s GLU 87 N 1.99 4.43 0.00 3.89 -1.05 -1.26 -1.51 118.70 125.19 1hjd s GLU 87 Ca 0.03 1.94 0.00 0.00 -0.15 0.00 0.00 54.97 56.79 1hjd s GLU 87 Cb -0.16 -3.24 0.00 0.00 -0.44 0.00 0.00 34.13 30.29 1hjd s GLU 87 CO -0.15 -0.21 0.00 -3.47 0.95 0.00 0.00 175.26 172.38 1hjd n ASP 88 N 2.90 1.15 -4.35 0.83 -0.08 -0.28 -4.94 116.55 111.79 1hjd n ASP 88 Ca 0.06 0.00 -0.46 0.00 -1.51 0.00 0.00 54.79 52.89 1hjd n ASP 88 Cb 0.44 0.00 -0.01 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 -1.79 3.98 0.28 -0.67 0.74 -1.17 -4.98 119.66 116.05 1hjd s GLN 89 Ca 0.00 -2.89 -0.13 0.00 0.05 0.00 0.00 55.36 52.39 1hjd s GLN 89 Cb 0.00 -4.55 -0.08 0.00 1.10 0.00 0.00 33.01 29.48 1hjd s GLN 89 CO 0.00 -1.30 0.66 0.95 -0.55 0.00 0.00 175.29 175.05 1hjd s THR 90 N -0.52 4.77 0.00 -0.34 -4.23 -1.26 -0.22 115.64 113.83 1hjd s THR 90 Ca 0.27 0.79 0.04 0.00 -1.18 0.00 0.00 61.69 61.62 1hjd s THR 90 Cb -0.09 -3.63 0.07 0.00 1.34 0.00 0.00 72.50 70.19 1hjd s THR 90 CO -0.08 -0.11 0.87 -0.11 -0.54 0.00 0.00 174.62 174.65 1hjd n LEU 91 N -0.19 -0.16 -4.60 4.79 0.00 -1.01 -4.92 117.00 110.91 1hjd n LEU 91 Ca 0.02 -1.50 -0.43 0.00 0.00 0.00 0.00 56.01 54.10 1hjd n LEU 91 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.92 1hjd n LEU 91 CO 0.43 0.95 1.52 -1.59 0.00 0.00 0.00 177.39 178.70 1hjd s LYS 92 N 0.00 3.39 0.10 1.96 0.00 0.29 -4.74 119.74 120.73 1hjd s LYS 92 Ca 0.06 1.48 0.08 0.00 0.00 0.00 0.00 55.97 57.59 1hjd s LYS 92 Cb 0.07 -4.18 -0.21 0.00 0.00 0.00 0.00 37.83 33.50 1hjd s LYS 92 CO -0.03 -1.79 1.20 -1.00 0.00 0.00 0.00 175.35 173.73 1hjd h PRO 93 N 12.68 0.00 -5.01 1.78 0.13 -1.85 -3.47 132.00 136.27 1hjd h PRO 93 Ca -0.34 -0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.43 1hjd h PRO 93 Cb 1.17 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.16 1hjd h PRO 93 CO 1.02 0.94 -0.65 0.20 -0.23 0.00 0.00 178.00 179.28 1hjd s GLY 94 N -4.76 1.51 -0.36 1.56 0.00 -1.26 -4.89 107.32 99.12 1hjd s GLY 94 Ca 0.00 -1.75 0.14 0.00 0.00 0.00 0.00 44.72 43.11 1hjd s GLY 94 CO 0.82 -1.63 1.19 0.58 0.00 0.00 0.00 173.10 174.06 1hjd n LYS 95 N -0.39 1.21 -3.66 2.90 2.85 -1.21 -3.76 118.16 116.11 1hjd n LYS 95 Ca -0.05 -2.44 -0.37 0.00 -1.05 0.00 0.00 58.31 54.41 1hjd n LYS 95 Cb 0.64 -0.57 -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 -1.33 5.21 0.58 0.58 1.01 -0.16 -4.76 120.40 121.53 1hjd s VAL 96 Ca 0.23 0.50 -0.16 0.00 0.00 0.00 0.00 61.98 62.55 1hjd s VAL 96 Cb 0.42 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1hjd s VAL 96 CO -0.04 0.51 1.06 -0.62 0.00 0.00 0.00 175.10 176.01 1hjd s ASP 97 N -1.26 5.87 -0.15 3.32 2.15 -1.26 0.37 116.67 125.71 1hjd s ASP 97 Ca 0.23 1.84 -0.04 0.00 0.43 0.00 0.00 52.55 55.01 1hjd s ASP 97 Cb -0.14 -2.54 0.07 0.00 -0.30 0.00 0.00 42.92 40.01 1hjd s ASP 97 CO 0.12 -1.10 0.22 -0.69 -0.17 0.00 0.00 175.17 173.54 1hjd s VAL 98 N -2.37 -0.34 -0.55 1.11 1.01 0.49 -4.84 120.40 114.90 1hjd s VAL 98 Ca 0.64 0.13 -0.28 0.00 0.00 0.00 0.00 61.98 62.47 1hjd s VAL 98 Cb -0.16 -0.51 0.03 0.00 0.00 0.00 0.00 36.38 35.74 1hjd s VAL 98 CO 0.34 -0.01 1.21 -0.54 0.00 0.00 0.00 175.10 176.10 1hjd s LYS 99 N 2.35 3.53 0.74 2.72 3.01 -1.26 -0.17 119.74 130.66 1hjd s LYS 99 Ca 0.04 0.35 -0.12 0.00 -1.01 0.00 0.00 55.97 55.24 1hjd s LYS 99 Cb -0.14 -4.01 0.04 0.00 -1.01 0.00 0.00 37.83 32.71 1hjd s LYS 99 CO -0.09 -1.65 1.11 -0.08 0.51 0.00 0.00 175.35 175.14 1hjd s THR 100 N 5.00 3.16 0.00 2.17 -1.32 -0.96 -4.99 115.64 118.71 1hjd s THR 100 Ca 0.45 0.38 0.00 0.00 -1.21 0.00 0.00 61.69 61.31 1hjd s THR 100 Cb -0.08 -3.32 0.00 0.00 -1.51 0.00 0.00 72.50 67.59 1hjd s THR 100 CO 0.27 -0.49 0.00 -0.67 -2.21 0.00 0.00 174.62 171.51 1hjd n ASP 101 N -3.15 0.00 -0.07 8.08 -0.08 -1.26 -4.88 116.55 115.20 1hjd n ASP 101 Ca 0.07 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.30 1hjd n ASP 101 Cb 0.58 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.90 1hjd n ASP 101 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1hjd n LYS 102 N -2.23 1.09 0.30 -0.67 5.02 -1.26 -4.38 118.16 116.03 1hjd n LYS 102 Ca 0.00 -0.04 0.17 0.00 -2.02 0.00 0.00 58.31 56.42 1hjd n LYS 102 Cb 0.00 -1.44 0.89 0.00 -0.02 0.00 0.00 35.03 34.47 1hjd n LYS 102 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 1hjd h TRP 103 N 0.00 0.00 -0.94 2.13 4.06 -2.00 -1.79 115.95 117.40 1hjd h TRP 103 Ca -0.37 0.00 0.27 0.00 2.06 0.00 0.00 58.89 60.86 1hjd h TRP 103 Cb 1.80 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.93 1hjd h TRP 103 CO 0.00 0.00 0.70 0.22 -3.56 0.00 0.00 178.44 175.80 1hjd h ASP 104 N 0.00 0.00 -4.95 -3.49 3.58 -1.93 -3.47 116.42 106.17 1hjd h ASP 104 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1hjd h ASP 104 Cb 0.56 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.55 1hjd h ASP 104 CO -0.00 0.00 -1.19 0.49 -2.88 0.00 0.00 179.24 175.66 1hjd n PHE 105 N -4.19 -4.00 -2.34 0.28 3.01 -0.67 -4.85 117.46 104.71 1hjd n PHE 105 Ca 0.20 2.02 -0.41 0.00 1.01 0.00 0.00 57.45 60.26 1hjd n PHE 105 Cb 1.02 -3.85 -0.03 0.00 -0.01 0.00 0.00 39.48 36.62 1hjd n PHE 105 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 1hjd s TYR 106 N -1.16 2.21 -0.61 1.38 5.04 -1.26 -4.92 117.35 118.03 1hjd s TYR 106 Ca -0.12 0.51 -0.26 0.00 -2.44 0.00 0.00 57.07 54.77 1hjd s TYR 106 Cb 0.01 -4.35 -0.09 0.00 0.35 0.00 0.00 41.96 37.88 1hjd s TYR 106 CO 0.75 -2.07 2.36 0.00 -1.34 0.00 0.00 175.55 175.25