#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 5.76 0.02 0.00 1.01 -1.26 -4.90 116.67 117.30 1hjd s ASP 9 Ca 0.00 -1.02 0.00 0.00 0.71 0.00 0.00 52.55 52.24 1hjd s ASP 9 Cb 0.00 -2.03 -0.02 0.00 1.01 0.00 0.00 42.92 41.88 1hjd s ASP 9 CO 0.00 -0.40 -0.04 -0.13 0.21 0.00 0.00 175.17 174.81 1hjd s ARG 10 N 1.56 0.35 -0.11 8.23 3.00 -1.26 0.57 118.95 131.28 1hjd s ARG 10 Ca 0.02 -0.64 -0.09 0.00 0.00 0.00 0.00 55.73 55.03 1hjd s ARG 10 Cb -0.19 0.04 0.04 0.00 0.00 0.00 0.00 34.95 34.84 1hjd s ARG 10 CO 0.07 -0.03 0.29 -1.59 0.00 0.00 0.00 175.30 174.03 1hjd s LYS 11 N -1.49 0.30 0.43 3.54 -2.85 0.29 -2.85 119.74 117.11 1hjd s LYS 11 Ca -0.15 0.48 -0.05 0.00 -1.00 0.00 0.00 55.97 55.25 1hjd s LYS 11 Cb -0.10 0.06 -0.04 0.00 -2.06 0.00 0.00 37.83 35.69 1hjd s LYS 11 CO -0.01 -0.09 0.73 -0.48 0.10 0.00 0.00 175.35 175.60 1hjd s LEU 12 N 0.61 3.76 0.29 2.77 2.34 -1.25 0.24 118.68 127.44 1hjd s LEU 12 Ca -0.04 0.88 -0.09 0.00 0.06 0.00 0.00 54.13 54.94 1hjd s LEU 12 Cb -0.05 -3.79 0.00 0.00 -0.56 0.00 0.00 46.19 41.79 1hjd s LEU 12 CO -0.04 -0.47 0.48 0.00 -1.06 0.00 0.00 176.35 175.27 1hjd s ALA 14 N -3.57 1.47 0.25 0.00 0.00 -1.23 -1.12 121.76 117.55 1hjd s ALA 14 Ca 0.25 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.41 1hjd s ALA 14 Cb -0.00 -4.65 0.00 0.00 0.00 0.00 0.00 23.12 18.47 1hjd s ALA 14 CO 0.13 -5.48 0.00 -0.25 0.00 0.00 0.00 175.76 170.16 1hjd n ASP 15 N 15.51 -6.55 -3.65 0.00 8.00 -1.26 -3.17 116.55 125.43 1hjd n ASP 15 Ca 0.43 1.14 -0.43 0.00 0.71 0.00 0.00 54.79 56.65 1hjd n ASP 15 Cb 0.46 -3.22 -0.06 0.00 -0.02 0.00 0.00 41.12 38.28 1hjd n ASP 15 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hjd n GLN 16 N -3.42 1.33 0.00 -1.24 6.02 -1.26 -2.91 117.38 115.90 1hjd n GLN 16 Ca 0.01 -1.77 0.00 0.00 -0.01 0.00 0.00 57.00 55.23 1hjd n GLN 16 Cb 0.49 -2.90 0.00 0.00 1.02 0.00 0.00 30.24 28.84 1hjd n GLN 16 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1hjd n GLU 17 N 7.17 0.00 -2.95 -1.09 0.28 -1.26 -5.03 120.64 117.77 1hjd n GLU 17 Ca 0.49 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 57.27 1hjd n GLU 17 Cb 0.41 0.00 0.03 0.00 1.43 0.00 0.00 31.44 33.31 1hjd n GLU 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1hjd n SER 19 N -2.47 1.90 -4.75 0.00 2.88 -1.26 -4.87 113.62 105.05 1hjd n SER 19 Ca -0.13 0.39 -0.36 0.00 -1.33 0.00 0.00 58.87 57.45 1hjd n SER 19 Cb 0.63 -0.89 0.05 0.00 -0.75 0.00 0.00 64.21 63.24 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 -2.44 2.32 0.39 0.66 3.76 -1.26 -4.98 115.29 113.74 1hjd s HIS 20 Ca -0.32 1.52 -0.25 0.00 -0.15 0.00 0.00 55.06 55.86 1hjd s HIS 20 Cb 0.09 -3.50 -0.09 0.00 1.11 0.00 0.00 32.58 30.20 1hjd s HIS 20 CO 0.53 -2.34 1.08 -1.25 -0.85 0.00 0.00 174.74 171.91 1hjd s PRO 21 N -3.43 4.17 0.01 8.40 0.04 -1.26 -4.71 135.00 138.22 1hjd s PRO 21 Ca 0.77 1.61 -0.20 0.00 0.04 0.00 0.00 61.00 63.22 1hjd s PRO 21 Cb -0.31 -2.62 -0.20 0.00 0.04 0.00 0.00 34.50 31.41 1hjd s PRO 21 CO 0.35 -0.16 1.17 0.97 0.04 0.00 0.00 177.00 179.37 1hjd h ILE 22 N 2.29 1.42 0.00 0.56 6.09 -0.76 -3.30 117.51 123.80 1hjd h ILE 22 Ca -0.48 -1.83 0.00 0.00 -1.37 0.00 0.00 64.86 61.17 1hjd h ILE 22 Cb 1.22 2.38 0.00 0.00 0.47 0.00 0.00 36.82 40.89 1hjd h ILE 22 CO 0.63 0.53 0.00 -1.54 -3.07 0.00 0.00 178.15 174.70 1hjd n SER 23 N -4.35 0.00 -4.18 2.19 3.41 -1.07 0.14 113.62 109.77 1hjd n SER 23 Ca -0.09 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.24 1hjd n SER 23 Cb 0.56 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.35 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 -0.11 2.05 -0.11 4.33 1.75 0.27 -2.60 119.30 124.88 1hjd s MET 24 Ca 0.00 -0.71 -0.07 0.00 -1.25 0.00 0.00 55.69 53.65 1hjd s MET 24 Cb 0.00 -1.77 0.04 0.00 2.84 0.00 0.00 34.83 35.95 1hjd s MET 24 CO 0.00 0.29 0.28 0.00 -0.65 0.00 0.00 175.02 174.94 1hjd s ALA 25 N -0.03 -0.67 0.09 4.11 0.00 0.15 -1.78 121.76 123.63 1hjd s ALA 25 Ca -0.04 0.99 -0.00 0.00 0.00 0.00 0.00 51.96 52.91 1hjd s ALA 25 Cb -0.12 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 1hjd s ALA 25 CO 0.03 -0.18 0.25 0.08 0.00 0.00 0.00 175.76 175.94 1hjd s VAL 26 N 0.86 5.35 0.11 0.00 1.01 0.92 0.14 120.40 128.78 1hjd s VAL 26 Ca -0.06 -0.40 -0.31 0.00 0.00 0.00 0.00 61.98 61.21 1hjd s VAL 26 Cb -0.07 -3.66 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 1hjd s VAL 26 CO -0.06 0.07 1.66 0.00 0.00 0.00 0.00 175.10 176.77 1hjd s ALA 27 N -1.59 3.73 -2.50 5.51 0.00 0.29 0.17 121.76 127.37 1hjd s ALA 27 Ca 0.36 1.29 0.27 0.00 0.00 0.00 0.00 51.96 53.88 1hjd s ALA 27 Cb -0.12 -3.69 0.99 0.00 0.00 0.00 0.00 23.12 20.30 1hjd s ALA 27 CO 0.28 -1.03 1.71 -0.11 0.00 0.00 0.00 175.76 176.60 1hjd n LEU 28 N 5.15 1.58 0.00 0.00 7.94 0.31 -3.61 117.00 128.37 1hjd n LEU 28 Ca 0.16 -0.54 0.00 0.00 -1.11 0.00 0.00 56.01 54.52 1hjd n LEU 28 Cb 0.39 -0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.33 1hjd n LEU 28 CO 0.63 0.27 0.00 0.00 -1.11 0.00 0.00 177.39 177.18 1hjd n GLN 29 N 0.24 -1.75 -2.26 1.96 10.64 -1.23 -4.95 117.38 120.03 1hjd n GLN 29 Ca 0.19 0.00 -0.38 0.00 -1.83 0.00 0.00 57.00 54.98 1hjd n GLN 29 Cb 0.36 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.73 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 6.32 -0.39 2.61 2.15 -1.26 -3.92 116.67 122.19 1hjd s ASP 30 Ca 0.00 2.35 0.06 0.00 0.43 0.00 0.00 52.55 55.39 1hjd s ASP 30 Cb 0.00 -2.61 0.18 0.00 -0.30 0.00 0.00 42.92 40.19 1hjd s ASP 30 CO 0.00 -0.82 0.66 -0.47 -0.17 0.00 0.00 175.17 174.37 1hjd s TYR 31 N -1.47 -1.65 0.35 -5.34 5.04 0.33 -4.94 117.35 109.66 1hjd s TYR 31 Ca 0.60 0.34 -0.28 0.00 -2.44 0.00 0.00 57.07 55.29 1hjd s TYR 31 Cb -0.30 0.30 -0.10 0.00 0.35 0.00 0.00 41.96 42.21 1hjd s TYR 31 CO 0.37 -1.10 1.35 -1.64 -1.34 0.00 0.00 175.55 173.19 1hjd s MET 32 N 1.98 4.28 0.22 4.97 -1.94 -1.26 -0.54 119.30 127.00 1hjd s MET 32 Ca 0.15 2.31 -0.25 0.00 -1.71 0.00 0.00 55.69 56.19 1hjd s MET 32 Cb -0.04 -3.03 -0.16 0.00 2.01 0.00 0.00 34.83 33.61 1hjd s MET 32 CO -0.10 -0.29 0.42 0.00 -0.01 0.00 0.00 175.02 175.05 1hjd n ALA 33 N 0.68 -2.80 0.03 3.03 0.00 -1.26 -4.87 120.51 115.33 1hjd n ALA 33 Ca 0.00 0.36 -0.11 0.00 0.00 0.00 0.00 53.44 53.70 1hjd n ALA 33 Cb 0.41 -1.50 -0.05 0.00 0.00 0.00 0.00 19.45 18.32 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 0.84 -0.15 0.00 0.00 0.11 -1.91 -3.48 132.00 127.42 1hjd h PRO 34 Ca -0.28 0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.93 1hjd h PRO 34 Cb 1.36 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.49 1hjd h PRO 34 CO 0.52 -0.10 0.26 -0.40 -0.21 0.00 0.00 178.00 178.08 1hjd n ASP 35 N -5.23 -0.56 0.00 -2.05 5.68 -1.26 -5.07 116.55 108.06 1hjd n ASP 35 Ca -0.05 -1.24 0.00 0.00 -0.50 0.00 0.00 54.79 53.00 1hjd n ASP 35 Cb 0.15 0.90 0.00 0.00 -1.14 0.00 0.00 41.12 41.03 1hjd n ASP 35 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1hjd n ARG 37 N 0.00 0.42 -0.68 0.00 1.85 -1.26 -5.16 116.66 111.84 1hjd n ARG 37 Ca 0.00 -0.59 -0.31 0.00 -1.00 0.00 0.00 57.85 55.96 1hjd n ARG 37 Cb 0.00 0.34 0.27 0.00 -1.05 0.00 0.00 32.46 32.02 1hjd n ARG 37 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1hjd s PHE 38 N 0.04 -0.34 -0.20 2.89 0.08 -1.11 -5.00 117.98 114.34 1hjd s PHE 38 Ca 0.03 0.48 -0.12 0.00 0.12 0.00 0.00 56.93 57.44 1hjd s PHE 38 Cb 0.14 -3.15 -0.05 0.00 -0.57 0.00 0.00 43.02 39.39 1hjd s PHE 38 CO -0.04 -4.61 0.22 -1.17 -0.10 0.00 0.00 175.22 169.52 1hjd s LEU 39 N -7.51 4.18 0.82 -0.37 2.96 -1.26 -4.66 118.68 112.84 1hjd s LEU 39 Ca 0.70 0.31 -0.12 0.00 -0.22 0.00 0.00 54.13 54.80 1hjd s LEU 39 Cb -0.10 -2.23 0.08 0.00 0.50 0.00 0.00 46.19 44.44 1hjd s LEU 39 CO 0.57 0.09 1.18 0.28 -1.32 0.00 0.00 176.35 177.14 1hjd s THR 40 N 0.74 2.00 -0.02 3.68 -1.32 -1.26 -4.46 115.64 115.00 1hjd s THR 40 Ca 0.12 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.64 1hjd s THR 40 Cb -0.13 -2.99 -0.01 0.00 -1.51 0.00 0.00 72.50 67.87 1hjd s THR 40 CO 0.03 0.00 -0.16 -0.63 -2.21 0.00 0.00 174.62 171.65 1hjd s ILE 41 N -3.57 1.26 0.11 5.08 1.01 0.29 -4.91 121.20 120.47 1hjd s ILE 41 Ca 0.62 -0.66 0.07 0.00 0.00 0.00 0.00 60.65 60.68 1hjd s ILE 41 Cb -0.11 -1.06 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 1hjd s ILE 41 CO 0.49 0.36 -0.18 -2.28 0.00 0.00 0.00 174.94 173.34 1hjd s HIS 42 N -0.20 1.58 0.99 3.97 2.46 -1.26 0.12 115.29 122.96 1hjd s HIS 42 Ca 0.02 -0.46 -0.17 0.00 0.47 0.00 0.00 55.06 54.93 1hjd s HIS 42 Cb -0.08 -0.86 -0.07 0.00 -0.13 0.00 0.00 32.58 31.45 1hjd s HIS 42 CO 0.00 0.17 -0.41 0.54 -2.47 0.00 0.00 174.74 172.57 1hjd n ARG 43 N 0.95 -0.25 -4.32 2.88 5.12 -1.25 -2.83 116.66 116.96 1hjd n ARG 43 Ca -0.19 -0.06 -0.35 0.00 -1.93 0.00 0.00 57.85 55.33 1hjd n ARG 43 Cb 0.55 -1.35 -0.07 0.00 -1.16 0.00 0.00 32.46 30.43 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 2.69 -0.30 2.88 -0.13 0.00 -1.24 -4.92 105.19 104.18 1hjd n GLY 44 Ca 0.01 0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -7.13 1.35 0.65 1.61 0.74 -1.13 -4.95 119.66 110.81 1hjd s GLN 45 Ca 0.44 -0.85 -0.15 0.00 0.05 0.00 0.00 55.36 54.85 1hjd s GLN 45 Cb -0.25 -2.46 -0.01 0.00 1.10 0.00 0.00 33.01 31.39 1hjd s GLN 45 CO 0.98 -0.62 1.11 0.08 -0.55 0.00 0.00 175.29 176.29 1hjd s VAL 46 N 1.52 3.24 -0.03 1.34 1.01 -1.26 0.10 120.40 126.31 1hjd s VAL 46 Ca -0.04 0.59 -0.13 0.00 0.00 0.00 0.00 61.98 62.40 1hjd s VAL 46 Cb -0.18 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.10 1hjd s VAL 46 CO -0.07 -0.34 0.28 -0.69 0.00 0.00 0.00 175.10 174.28 1hjd s VAL 47 N -2.29 0.05 -0.42 2.92 1.01 0.37 0.11 120.40 122.15 1hjd s VAL 47 Ca 0.67 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 62.24 1hjd s VAL 47 Cb -0.21 -0.55 0.11 0.00 0.00 0.00 0.00 36.38 35.74 1hjd s VAL 47 CO 0.40 -0.22 0.19 -0.31 0.00 0.00 0.00 175.10 175.16 1hjd s TYR 48 N -1.02 3.59 0.14 5.22 2.02 0.29 0.32 117.35 127.92 1hjd s TYR 48 Ca -0.11 -2.70 -0.31 0.00 -0.37 0.00 0.00 57.07 53.59 1hjd s TYR 48 Cb -0.05 -3.10 -0.08 0.00 -0.40 0.00 0.00 41.96 38.33 1hjd s TYR 48 CO 0.03 -0.93 1.34 0.08 -1.57 0.00 0.00 175.55 174.49 1hjd s VAL 49 N 0.81 3.37 -0.03 0.71 1.01 -1.07 -1.78 120.40 123.41 1hjd s VAL 49 Ca 0.11 1.03 0.05 0.00 0.00 0.00 0.00 61.98 63.17 1hjd s VAL 49 Cb -0.22 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.43 1hjd s VAL 49 CO -0.05 0.11 0.06 0.49 0.00 0.00 0.00 175.10 175.70 1hjd n PHE 50 N 3.48 0.00 -4.12 5.22 3.01 -0.44 -0.16 117.46 124.45 1hjd n PHE 50 Ca 0.09 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.43 1hjd n PHE 50 Cb 0.43 -0.20 -0.11 0.00 -0.01 0.00 0.00 39.48 39.59 1hjd n PHE 50 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1hjd s SER 51 N -3.25 1.01 -0.44 4.37 0.01 -0.30 -4.41 113.70 110.69 1hjd s SER 51 Ca -0.02 -0.78 0.03 0.00 1.31 0.00 0.00 55.95 56.49 1hjd s SER 51 Cb 0.02 0.06 0.16 0.00 0.21 0.00 0.00 66.02 66.48 1hjd s SER 51 CO 0.22 -0.33 0.33 -0.54 0.41 0.00 0.00 173.24 173.33 1hjd s LYS 52 N -2.71 1.05 0.38 12.44 1.02 -1.22 0.64 119.74 131.33 1hjd s LYS 52 Ca 0.01 -2.14 -0.27 0.00 0.02 0.00 0.00 55.97 53.60 1hjd s LYS 52 Cb -0.02 -1.67 -0.09 0.00 -0.52 0.00 0.00 37.83 35.53 1hjd s LYS 52 CO -0.02 -1.34 1.28 -1.17 -0.92 0.00 0.00 175.35 173.17 1hjd s LEU 53 N 0.04 4.29 0.00 3.17 0.20 -1.24 -3.83 118.68 121.32 1hjd s LEU 53 Ca 0.29 2.60 0.00 0.00 0.69 0.00 0.00 54.13 57.72 1hjd s LEU 53 Cb -0.02 -3.83 0.00 0.00 -0.43 0.00 0.00 46.19 41.91 1hjd s LEU 53 CO -0.16 -0.69 0.00 2.29 -0.29 0.00 0.00 176.35 177.50 1hjd n LYS 54 N 0.38 0.87 -2.35 1.98 2.85 -1.13 -3.55 118.16 117.21 1hjd n LYS 54 Ca 0.02 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.25 1hjd n LYS 54 Cb 0.43 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.82 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 1.09 -1.02 2.57 2.58 0.00 -1.26 -3.69 105.19 105.45 1hjd n GLY 55 Ca 0.00 0.59 -0.10 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.65 -1.25 -0.30 1.61 5.12 -1.26 -4.73 116.66 115.21 1hjd n ARG 56 Ca 0.05 0.82 0.00 0.00 -1.93 0.00 0.00 57.85 56.79 1hjd n ARG 56 Cb 0.33 -4.98 0.00 0.00 -1.16 0.00 0.00 32.46 26.65 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 -0.66 0.05 0.38 -0.13 0.00 -1.24 -4.90 105.19 98.69 1hjd n GLY 57 Ca -0.10 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.11 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 2.43 -1.76 0.30 114.38 116.96 1hjd h ARG 58 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1hjd h ARG 58 Cb 1.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1hjd h ARG 58 CO 0.00 0.00 0.00 1.47 -1.51 0.00 0.00 179.97 179.93 1hjd n LEU 59 N -3.44 0.00 -3.88 3.80 -0.00 -1.26 -4.21 117.00 108.01 1hjd n LEU 59 Ca 0.06 0.10 -0.30 0.00 -0.00 0.00 0.00 56.01 55.87 1hjd n LEU 59 Cb 0.61 -0.10 -0.14 0.00 -0.00 0.00 0.00 43.42 43.80 1hjd n LEU 59 CO 0.23 -0.05 -0.19 0.12 -0.00 0.00 0.00 177.39 177.50 1hjd s PHE 60 N -2.20 2.86 0.04 1.47 5.36 0.11 -1.57 117.98 124.05 1hjd s PHE 60 Ca 0.22 -2.98 -0.14 0.00 -0.96 0.00 0.00 56.93 53.07 1hjd s PHE 60 Cb 0.11 -2.56 -0.06 0.00 -0.34 0.00 0.00 43.02 40.17 1hjd s PHE 60 CO 0.21 -0.74 0.44 -1.58 -1.46 0.00 0.00 175.22 172.09 1hjd s TRP 61 N -0.16 3.69 0.01 10.12 0.52 0.07 -3.66 118.94 129.54 1hjd s TRP 61 Ca 0.18 0.98 -0.22 0.00 0.02 0.00 0.00 56.10 57.06 1hjd s TRP 61 Cb -0.25 -2.29 -0.05 0.00 -1.15 0.00 0.00 33.47 29.73 1hjd s TRP 61 CO -0.01 0.58 0.64 0.20 0.02 0.00 0.00 176.95 178.39 1hjd s GLY 62 N -1.32 2.67 0.00 0.98 0.00 0.21 0.14 107.32 110.00 1hjd s GLY 62 Ca 0.28 0.10 0.00 0.00 0.00 0.00 0.00 44.72 45.10 1hjd s GLY 62 CO 0.16 0.83 0.00 0.61 0.00 0.00 0.00 173.10 174.70 1hjd n GLY 63 N 2.38 2.21 3.53 0.20 0.00 -0.49 -1.15 105.19 111.88 1hjd n GLY 63 Ca -0.06 -0.71 -0.07 0.00 0.00 0.00 0.00 46.02 45.18 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 1.93 -0.82 0.48 1.61 1.04 -0.73 0.59 113.70 117.80 1hjd s SER 64 Ca 0.00 1.34 -0.20 0.00 0.48 0.00 0.00 55.95 57.56 1hjd s SER 64 Cb 0.00 1.30 -0.08 0.00 0.10 0.00 0.00 66.02 67.33 1hjd s SER 64 CO 0.00 -0.23 1.04 0.68 0.98 0.00 0.00 173.24 175.72 1hjd s VAL 65 N 1.72 3.74 0.91 5.02 -7.23 -1.26 0.11 120.40 123.41 1hjd s VAL 65 Ca -0.09 1.10 -0.11 0.00 -1.81 0.00 0.00 61.98 61.07 1hjd s VAL 65 Cb -0.07 -3.45 0.12 0.00 0.56 0.00 0.00 36.38 33.54 1hjd s VAL 65 CO -0.18 -0.22 1.00 0.00 -0.31 0.00 0.00 175.10 175.39 1hjd n GLN 66 N -0.94 -0.37 0.00 4.82 10.64 0.31 -4.83 117.38 127.01 1hjd n GLN 66 Ca 0.09 -0.04 0.00 0.00 -1.83 0.00 0.00 57.00 55.22 1hjd n GLN 66 Cb 0.52 -2.27 0.00 0.00 -0.86 0.00 0.00 30.24 27.63 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 0.56 0.31 1.47 2.61 0.00 -1.26 -4.93 105.19 103.95 1hjd n GLY 67 Ca 0.11 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1hjd n GLY 67 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1hjd n ASP 68 N 0.00 0.00 -2.96 1.61 -0.08 -1.26 -5.03 116.55 108.82 1hjd n ASP 68 Ca 0.00 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.16 1hjd n ASP 68 Cb 0.00 0.28 0.11 0.00 2.34 0.00 0.00 41.12 43.85 1hjd n ASP 68 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1hjd n TYR 69 N -2.23 -3.27 -3.81 -0.67 9.36 -1.26 -5.02 117.16 110.25 1hjd n TYR 69 Ca 0.00 -0.40 -0.30 0.00 3.32 0.00 0.00 57.90 60.52 1hjd n TYR 69 Cb 0.00 -0.48 -0.13 0.00 -0.63 0.00 0.00 39.34 38.10 1hjd n TYR 69 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 1hjd s TYR 70 N -1.77 2.48 0.00 2.98 5.04 -1.26 -4.87 117.35 119.95 1hjd s TYR 70 Ca 0.29 -2.74 0.00 0.00 -2.44 0.00 0.00 57.07 52.19 1hjd s TYR 70 Cb -0.03 -2.27 0.00 0.00 0.35 0.00 0.00 41.96 40.01 1hjd s TYR 70 CO 0.23 -0.76 0.00 0.41 -1.34 0.00 0.00 175.55 174.08 1hjd n GLY 71 N 3.34 0.74 0.00 8.97 0.00 -1.26 -5.10 105.19 111.88 1hjd n GLY 71 Ca 0.07 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -4.58 1.61 -0.08 -1.26 -5.11 116.55 107.13 1hjd n ASP 72 Ca 0.00 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.87 1hjd n ASP 72 Cb 0.00 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.43 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 0.00 3.43 0.00 -2.67 1.43 -1.26 -4.74 118.68 114.87 1hjd s LEU 73 Ca 0.00 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.16 1hjd s LEU 73 Cb 0.00 -3.14 0.00 0.00 0.03 0.00 0.00 46.19 43.08 1hjd s LEU 73 CO 0.00 -2.03 0.00 0.00 0.23 0.00 0.00 176.35 174.55 1hjd n ALA 74 N 11.64 0.00 -1.97 4.21 0.00 -1.26 -5.18 120.51 127.95 1hjd n ALA 74 Ca 0.24 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.47 1hjd n ALA 74 Cb 0.49 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.98 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 3.87 -0.37 0.00 0.00 -1.26 -5.08 121.76 118.92 1hjd s ALA 75 Ca 0.00 -1.33 -0.05 0.00 0.00 0.00 0.00 51.96 50.58 1hjd s ALA 75 Cb 0.00 -2.09 0.07 0.00 0.00 0.00 0.00 23.12 21.10 1hjd s ALA 75 CO 0.00 -0.79 0.15 0.50 0.00 0.00 0.00 175.76 175.62 1hjd s ARG 76 N -4.79 2.42 0.02 0.00 3.52 -1.26 -5.06 118.95 113.79 1hjd s ARG 76 Ca 0.58 -1.44 -0.30 0.00 -0.13 0.00 0.00 55.73 54.44 1hjd s ARG 76 Cb -0.10 -3.53 -0.09 0.00 -1.56 0.00 0.00 34.95 29.67 1hjd s ARG 76 CO 0.39 -0.84 1.99 -0.11 -0.81 0.00 0.00 175.30 175.92 1hjd n LEU 77 N 4.75 4.10 0.00 -0.88 0.00 -1.26 -4.75 117.00 118.96 1hjd n LEU 77 Ca -0.09 0.85 0.00 0.00 0.00 0.00 0.00 56.01 56.77 1hjd n LEU 77 Cb 0.43 -1.53 0.00 0.00 0.00 0.00 0.00 43.42 42.32 1hjd n LEU 77 CO 0.33 0.14 0.00 0.61 0.00 0.00 0.00 177.39 178.47 1hjd n GLY 78 N 4.64 4.83 2.93 -3.96 0.00 0.20 -4.89 105.19 108.93 1hjd n GLY 78 Ca 0.21 -2.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.03 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 1.18 -0.43 0.16 1.61 2.02 -1.26 -1.40 117.35 119.24 1hjd s TYR 79 Ca 0.00 0.75 -0.18 0.00 -0.37 0.00 0.00 57.07 57.27 1hjd s TYR 79 Cb 0.00 -0.12 0.04 0.00 -0.40 0.00 0.00 41.96 41.48 1hjd s TYR 79 CO 0.00 -0.46 0.50 -0.59 -1.57 0.00 0.00 175.55 173.42 1hjd s PHE 80 N 2.41 -0.25 0.84 2.71 -0.12 0.12 -4.81 117.98 118.88 1hjd s PHE 80 Ca 0.04 -0.06 -0.15 0.00 -0.05 0.00 0.00 56.93 56.71 1hjd s PHE 80 Cb -0.13 0.38 -0.03 0.00 -0.63 0.00 0.00 43.02 42.61 1hjd s PHE 80 CO -0.10 -0.82 0.29 -2.30 -0.05 0.00 0.00 175.22 172.23 1hjd n PRO 81 N -0.31 0.02 -0.08 1.99 -0.02 -0.61 -0.75 135.00 135.24 1hjd n PRO 81 Ca -0.14 0.04 -0.17 0.00 -2.02 0.00 0.00 63.50 61.21 1hjd n PRO 81 Cb 0.63 -1.70 -0.13 0.00 -0.02 0.00 0.00 33.50 32.28 1hjd n PRO 81 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1hjd n SER 82 N -0.12 1.71 -0.29 2.55 2.88 -1.26 -4.29 113.62 114.80 1hjd n SER 82 Ca 0.07 0.00 0.33 0.00 -1.33 0.00 0.00 58.87 57.94 1hjd n SER 82 Cb 0.52 -0.33 0.74 0.00 -0.75 0.00 0.00 64.21 64.38 1hjd n SER 82 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1hjd h SER 83 N 0.02 0.02 0.23 -3.46 4.64 -1.94 0.65 113.55 113.71 1hjd h SER 83 Ca -0.52 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.74 1hjd h SER 83 Cb 1.99 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.07 1hjd h SER 83 CO -0.02 0.00 -0.27 -0.29 -0.87 0.00 0.00 176.83 175.38 1hjd h ILE 84 N 0.01 1.21 -3.79 0.95 6.09 -1.96 -3.43 117.51 116.59 1hjd h ILE 84 Ca 0.53 -1.01 -0.68 0.00 -1.37 0.00 0.00 64.86 62.33 1hjd h ILE 84 Cb 2.11 1.49 -0.20 0.00 0.47 0.00 0.00 36.82 40.70 1hjd h ILE 84 CO -0.02 0.29 -0.75 0.68 -3.07 0.00 0.00 178.15 175.28 1hjd s VAL 85 N -4.42 3.22 -0.24 2.19 -7.23 0.23 0.11 120.40 114.25 1hjd s VAL 85 Ca -0.04 -0.98 -0.12 0.00 -1.81 0.00 0.00 61.98 59.03 1hjd s VAL 85 Cb 0.15 -2.38 -0.05 0.00 0.56 0.00 0.00 36.38 34.66 1hjd s VAL 85 CO 0.72 0.36 0.23 -0.60 -0.31 0.00 0.00 175.10 175.51 1hjd s ARG 86 N -1.44 4.06 -0.21 4.82 3.52 0.44 -4.80 118.95 125.35 1hjd s ARG 86 Ca 0.16 -0.16 -0.24 0.00 -0.13 0.00 0.00 55.73 55.37 1hjd s ARG 86 Cb -0.11 -3.58 -0.01 0.00 -1.56 0.00 0.00 34.95 29.69 1hjd s ARG 86 CO 0.07 -0.04 0.78 -1.83 -0.81 0.00 0.00 175.30 173.46 1hjd s GLU 87 N 1.36 4.23 -0.16 5.12 -1.05 -1.26 -0.06 118.70 126.87 1hjd s GLU 87 Ca 0.10 0.88 -0.07 0.00 -0.15 0.00 0.00 54.97 55.73 1hjd s GLU 87 Cb -0.14 -3.60 -0.07 0.00 -0.44 0.00 0.00 34.13 29.87 1hjd s GLU 87 CO 0.07 -0.38 -0.20 -3.47 0.95 0.00 0.00 175.26 172.23 1hjd n ASP 88 N 5.49 1.35 -4.85 0.83 2.03 -0.73 -4.96 116.55 115.70 1hjd n ASP 88 Ca 0.03 0.17 -0.31 0.00 0.52 0.00 0.00 54.79 55.20 1hjd n ASP 88 Cb 0.49 -0.46 -0.05 0.00 -0.72 0.00 0.00 41.12 40.37 1hjd n ASP 88 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1hjd s GLN 89 N -2.30 3.19 0.03 -0.67 -0.44 -1.19 -4.99 119.66 113.28 1hjd s GLN 89 Ca -0.23 -0.53 0.01 0.00 -2.50 0.00 0.00 55.36 52.11 1hjd s GLN 89 Cb 0.08 -2.91 -0.02 0.00 -1.64 0.00 0.00 33.01 28.53 1hjd s GLN 89 CO 0.30 0.60 -0.05 0.95 0.50 0.00 0.00 175.29 177.59 1hjd s THR 90 N -1.41 0.32 0.00 -0.34 -4.23 -1.26 0.94 115.64 109.65 1hjd s THR 90 Ca 0.31 -0.95 0.05 0.00 -1.18 0.00 0.00 61.69 59.91 1hjd s THR 90 Cb -0.13 -0.42 0.08 0.00 1.34 0.00 0.00 72.50 73.37 1hjd s THR 90 CO 0.23 -0.42 0.92 -0.11 -0.54 0.00 0.00 174.62 174.70 1hjd n LEU 91 N 1.60 -0.33 -4.59 4.79 0.00 -0.97 -4.90 117.00 112.60 1hjd n LEU 91 Ca -0.23 -1.70 -0.41 0.00 0.00 0.00 0.00 56.01 53.67 1hjd n LEU 91 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.94 1hjd n LEU 91 CO 0.21 1.11 1.77 -0.75 0.00 0.00 0.00 177.39 179.73 1hjd s LYS 92 N 0.00 2.95 -0.12 1.96 2.20 0.38 -4.59 119.74 122.52 1hjd s LYS 92 Ca 0.06 1.62 -0.20 0.00 -0.36 0.00 0.00 55.97 57.10 1hjd s LYS 92 Cb 0.07 -4.37 -0.18 0.00 -1.51 0.00 0.00 37.83 31.85 1hjd s LYS 92 CO -0.03 -2.31 0.55 -1.00 -0.36 0.00 0.00 175.35 172.20 1hjd h PRO 93 N 15.31 -0.01 -5.80 4.03 0.14 -1.84 -3.48 132.00 140.36 1hjd h PRO 93 Ca -0.34 0.00 -0.61 0.00 0.14 0.00 0.00 66.00 65.18 1hjd h PRO 93 Cb 1.22 0.00 -0.12 0.00 0.14 0.00 0.00 31.00 32.24 1hjd h PRO 93 CO 1.04 0.66 -0.60 0.20 0.14 0.00 0.00 178.00 179.43 1hjd s GLY 94 N -3.96 2.37 -0.38 1.56 0.00 -1.26 -4.88 107.32 100.77 1hjd s GLY 94 Ca -0.13 -2.20 0.12 0.00 0.00 0.00 0.00 44.72 42.51 1hjd s GLY 94 CO 0.47 -2.04 1.14 0.58 0.00 0.00 0.00 173.10 173.26 1hjd n LYS 95 N -0.97 1.14 -3.46 2.90 2.85 -1.12 -3.56 118.16 115.94 1hjd n LYS 95 Ca -0.04 -2.44 -0.37 0.00 -1.05 0.00 0.00 58.31 54.41 1hjd n LYS 95 Cb 0.65 -0.71 -0.07 0.00 -0.65 0.00 0.00 35.03 34.26 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 -1.10 5.26 -0.08 0.58 1.01 -0.27 -4.78 120.40 121.01 1hjd s VAL 96 Ca 0.25 0.64 -0.30 0.00 0.00 0.00 0.00 61.98 62.58 1hjd s VAL 96 Cb 0.40 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 1hjd s VAL 96 CO -0.04 0.33 1.61 -0.62 0.00 0.00 0.00 175.10 176.38 1hjd s ASP 97 N 0.73 6.68 -0.40 3.32 2.15 -1.26 -0.13 116.67 127.75 1hjd s ASP 97 Ca 0.18 2.14 -0.11 0.00 0.43 0.00 0.00 52.55 55.19 1hjd s ASP 97 Cb -0.14 -2.53 0.05 0.00 -0.30 0.00 0.00 42.92 40.00 1hjd s ASP 97 CO 0.06 -0.93 0.25 -0.69 -0.17 0.00 0.00 175.17 173.69 1hjd s VAL 98 N 4.07 4.58 0.22 1.11 1.01 0.66 -4.80 120.40 127.25 1hjd s VAL 98 Ca 0.71 -1.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 1hjd s VAL 98 Cb -0.32 -3.66 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 1hjd s VAL 98 CO 0.28 -0.37 1.35 -1.59 0.00 0.00 0.00 175.10 174.77 1hjd s LYS 99 N 1.53 4.35 0.30 2.72 -2.85 -1.26 0.10 119.74 124.62 1hjd s LYS 99 Ca 0.03 2.15 0.08 0.00 -1.00 0.00 0.00 55.97 57.23 1hjd s LYS 99 Cb -0.21 -3.16 -0.04 0.00 -2.06 0.00 0.00 37.83 32.36 1hjd s LYS 99 CO 0.05 -0.30 0.12 0.99 0.10 0.00 0.00 175.35 176.31 1hjd s THR 100 N -0.00 3.54 0.51 3.79 2.01 0.19 -4.86 115.64 120.83 1hjd s THR 100 Ca 0.57 -1.67 0.06 0.00 0.31 0.00 0.00 61.69 60.96 1hjd s THR 100 Cb -0.38 -3.05 0.02 0.00 0.01 0.00 0.00 72.50 69.09 1hjd s THR 100 CO 0.41 -0.28 0.35 -0.62 -0.69 0.00 0.00 174.62 173.78 1hjd s ASP 101 N -3.81 4.62 -0.17 3.53 2.15 -1.26 -4.42 116.67 117.31 1hjd s ASP 101 Ca 0.35 -1.20 0.10 0.00 0.43 0.00 0.00 52.55 52.23 1hjd s ASP 101 Cb -0.05 0.21 -0.23 0.00 -0.30 0.00 0.00 42.92 42.55 1hjd s ASP 101 CO 0.23 -0.97 0.16 1.17 -0.17 0.00 0.00 175.17 175.58 1hjd n LYS 102 N -1.65 0.68 0.27 4.34 3.00 -1.26 -4.23 118.16 119.31 1hjd n LYS 102 Ca -0.02 0.12 0.18 0.00 -0.00 0.00 0.00 58.31 58.59 1hjd n LYS 102 Cb 0.64 -1.60 0.88 0.00 0.00 0.00 0.00 35.03 34.95 1hjd n LYS 102 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.40 175.91 1hjd h TRP 103 N 0.01 0.00 0.03 5.64 4.06 -2.05 -2.98 115.95 120.65 1hjd h TRP 103 Ca -0.49 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.46 1hjd h TRP 103 Cb 2.09 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 30.25 1hjd h TRP 103 CO 0.02 0.00 -0.04 0.22 -3.56 0.00 0.00 178.44 175.08 1hjd h ASP 104 N 0.00 -0.11 -3.14 -3.49 3.58 -2.01 -3.47 116.42 107.78 1hjd h ASP 104 Ca 0.05 0.01 0.11 0.00 0.42 0.00 0.00 57.03 57.62 1hjd h ASP 104 Cb 0.59 0.04 -0.27 0.00 1.72 0.00 0.00 39.33 41.41 1hjd h ASP 104 CO -0.00 -0.05 0.61 0.12 -2.88 0.00 0.00 179.24 177.04 1hjd s PHE 105 N -3.21 -0.32 -0.06 0.28 2.19 -1.13 -5.17 117.98 110.57 1hjd s PHE 105 Ca -0.01 0.72 -0.02 0.00 0.33 0.00 0.00 56.93 57.95 1hjd s PHE 105 Cb 0.00 0.42 0.04 0.00 -1.31 0.00 0.00 43.02 42.17 1hjd s PHE 105 CO 0.04 -0.19 0.13 -0.47 1.83 0.00 0.00 175.22 176.56 1hjd s TYR 106 N -0.20 -0.13 0.77 10.12 5.04 -1.26 -4.97 117.35 126.72 1hjd s TYR 106 Ca 0.04 0.44 -0.14 0.00 -2.44 0.00 0.00 57.07 54.96 1hjd s TYR 106 Cb -0.04 -0.13 0.06 0.00 0.35 0.00 0.00 41.96 42.21 1hjd s TYR 106 CO -0.07 -0.17 1.23 0.00 -1.34 0.00 0.00 175.55 175.20