#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 6.15 0.30 0.00 1.11 -1.26 -4.54 116.67 118.43 1hjd s ASP 9 Ca 0.00 1.72 -0.01 0.00 0.18 0.00 0.00 52.55 54.43 1hjd s ASP 9 Cb 0.00 -2.53 -0.04 0.00 1.07 0.00 0.00 42.92 41.42 1hjd s ASP 9 CO 0.00 -1.43 0.52 -0.13 1.18 0.00 0.00 175.17 175.31 1hjd s ARG 10 N 5.09 3.54 -0.00 8.23 0.52 -1.26 -2.30 118.95 132.76 1hjd s ARG 10 Ca 0.79 -0.23 -0.19 0.00 -0.52 0.00 0.00 55.73 55.58 1hjd s ARG 10 Cb -0.28 -2.69 0.04 0.00 0.52 0.00 0.00 34.95 32.54 1hjd s ARG 10 CO 0.32 0.22 0.42 -1.59 0.02 0.00 0.00 175.30 174.69 1hjd s LYS 11 N -3.89 0.83 0.13 3.54 -2.85 -0.57 -2.86 119.74 114.08 1hjd s LYS 11 Ca 0.41 -0.16 -0.19 0.00 -1.00 0.00 0.00 55.97 55.03 1hjd s LYS 11 Cb -0.10 0.37 -0.07 0.00 -2.06 0.00 0.00 37.83 35.97 1hjd s LYS 11 CO 0.33 -0.25 0.62 -0.51 0.10 0.00 0.00 175.35 175.64 1hjd s LEU 12 N -1.52 4.45 0.12 2.77 1.02 -1.26 0.17 118.68 124.43 1hjd s LEU 12 Ca -0.10 1.30 0.04 0.00 0.02 0.00 0.00 54.13 55.39 1hjd s LEU 12 Cb -0.03 -3.18 -0.04 0.00 0.02 0.00 0.00 46.19 42.97 1hjd s LEU 12 CO 0.03 0.18 -0.11 0.00 0.02 0.00 0.00 176.35 176.47 1hjd n ALA 14 N 0.34 3.43 -1.13 0.00 0.00 -1.25 -0.19 120.51 121.72 1hjd n ALA 14 Ca -0.14 -2.41 0.13 0.00 0.00 0.00 0.00 53.44 51.01 1hjd n ALA 14 Cb 0.58 -3.28 -0.03 0.00 0.00 0.00 0.00 19.45 16.72 1hjd n ALA 14 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1hjd n ASP 15 N 6.07 -6.70 -3.53 0.00 8.00 -1.26 -2.74 116.55 116.39 1hjd n ASP 15 Ca 0.42 0.99 -0.39 0.00 0.71 0.00 0.00 54.79 56.52 1hjd n ASP 15 Cb 0.26 -2.79 -0.06 0.00 -0.02 0.00 0.00 41.12 38.51 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 -3.24 1.39 0.06 -1.24 6.02 -1.26 -3.01 117.38 116.10 1hjd n GLN 16 Ca 0.01 -1.66 0.00 0.00 -0.01 0.00 0.00 57.00 55.34 1hjd n GLN 16 Cb 0.42 -2.78 0.00 0.00 1.02 0.00 0.00 30.24 28.90 1hjd n GLN 16 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1hjd n GLU 17 N 6.64 0.00 -2.48 -1.09 1.02 -1.25 -5.02 120.64 118.45 1hjd n GLU 17 Ca 0.47 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.44 1hjd n GLU 17 Cb 0.35 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.77 1hjd n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1hjd h SER 19 N -0.10 -0.04 -4.12 0.00 0.02 -1.91 -3.47 113.55 103.93 1hjd h SER 19 Ca -0.40 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.03 1hjd h SER 19 Cb 1.29 0.01 0.11 0.00 0.14 0.00 0.00 62.40 63.95 1hjd h SER 19 CO 0.47 0.27 0.44 -1.00 -1.14 0.00 0.00 176.83 175.87 1hjd s HIS 20 N -1.56 2.46 0.56 3.45 3.76 -1.26 -5.00 115.29 117.70 1hjd s HIS 20 Ca -0.01 1.54 -0.18 0.00 -0.15 0.00 0.00 55.06 56.26 1hjd s HIS 20 Cb 0.00 -3.39 -0.05 0.00 1.11 0.00 0.00 32.58 30.26 1hjd s HIS 20 CO 0.02 -2.02 1.10 -1.25 -0.85 0.00 0.00 174.74 171.75 1hjd s PRO 21 N -3.48 3.31 0.06 8.40 0.04 -1.26 -4.89 135.00 137.17 1hjd s PRO 21 Ca 0.74 1.46 -0.20 0.00 0.04 0.00 0.00 61.00 63.05 1hjd s PRO 21 Cb -0.27 -2.01 -0.12 0.00 0.04 0.00 0.00 34.50 32.14 1hjd s PRO 21 CO 0.34 -0.85 1.44 0.97 0.04 0.00 0.00 177.00 178.93 1hjd h ILE 22 N 0.92 1.29 -0.90 0.56 6.09 -1.15 -3.37 117.51 120.95 1hjd h ILE 22 Ca -0.49 -1.05 0.00 0.00 -1.37 0.00 0.00 64.86 61.95 1hjd h ILE 22 Cb 1.25 1.62 0.00 0.00 0.47 0.00 0.00 36.82 40.16 1hjd h ILE 22 CO 0.57 0.31 0.00 -1.54 -3.07 0.00 0.00 178.15 174.42 1hjd n SER 23 N -4.64 0.00 -4.24 2.19 3.41 -1.16 0.48 113.62 109.67 1hjd n SER 23 Ca -0.05 -0.81 -0.26 0.00 -0.26 0.00 0.00 58.87 57.49 1hjd n SER 23 Cb 0.28 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.08 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 -1.42 1.52 -0.05 4.33 1.75 0.22 -2.54 119.30 123.11 1hjd s MET 24 Ca 0.00 -0.85 -0.02 0.00 -1.25 0.00 0.00 55.69 53.57 1hjd s MET 24 Cb 0.00 -1.56 0.03 0.00 2.84 0.00 0.00 34.83 36.14 1hjd s MET 24 CO 0.00 0.41 0.08 0.00 -0.65 0.00 0.00 175.02 174.86 1hjd s ALA 25 N -0.66 0.06 0.24 4.11 0.00 0.35 -2.15 121.76 123.71 1hjd s ALA 25 Ca 0.08 0.34 -0.15 0.00 0.00 0.00 0.00 51.96 52.23 1hjd s ALA 25 Cb -0.08 -0.56 -0.08 0.00 0.00 0.00 0.00 23.12 22.40 1hjd s ALA 25 CO 0.01 -0.38 0.65 0.08 0.00 0.00 0.00 175.76 176.12 1hjd s VAL 26 N 1.84 4.74 -0.39 0.00 1.01 0.42 0.13 120.40 128.14 1hjd s VAL 26 Ca -0.00 0.91 -0.29 0.00 0.00 0.00 0.00 61.98 62.60 1hjd s VAL 26 Cb -0.12 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.58 1hjd s VAL 26 CO -0.04 0.04 1.16 0.00 0.00 0.00 0.00 175.10 176.26 1hjd s ALA 27 N -1.71 3.29 -0.98 5.51 0.00 -0.59 0.16 121.76 127.44 1hjd s ALA 27 Ca 0.46 -0.23 0.18 0.00 0.00 0.00 0.00 51.96 52.37 1hjd s ALA 27 Cb -0.13 -3.81 0.77 0.00 0.00 0.00 0.00 23.12 19.95 1hjd s ALA 27 CO 0.19 -1.94 1.58 -0.11 0.00 0.00 0.00 175.76 175.48 1hjd n LEU 28 N 7.57 0.03 0.00 0.00 7.94 -0.34 -3.52 117.00 128.68 1hjd n LEU 28 Ca 0.13 0.51 0.00 0.00 -1.11 0.00 0.00 56.01 55.53 1hjd n LEU 28 Cb 0.48 -0.50 0.00 0.00 0.53 0.00 0.00 43.42 43.93 1hjd n LEU 28 CO 0.66 -0.21 0.00 0.00 -1.11 0.00 0.00 177.39 176.73 1hjd n GLN 29 N -1.53 -1.25 -1.77 1.96 10.64 -1.26 -4.95 117.38 119.22 1hjd n GLN 29 Ca 0.04 0.00 -0.37 0.00 -1.83 0.00 0.00 57.00 54.84 1hjd n GLN 29 Cb 0.21 0.00 0.06 0.00 -0.86 0.00 0.00 30.24 29.65 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 4.74 -0.42 2.61 2.15 -1.26 -4.18 116.67 120.31 1hjd s ASP 30 Ca 0.00 2.63 0.07 0.00 0.43 0.00 0.00 52.55 55.67 1hjd s ASP 30 Cb 0.00 -2.62 0.18 0.00 -0.30 0.00 0.00 42.92 40.18 1hjd s ASP 30 CO 0.00 -1.91 0.67 -0.47 -0.17 0.00 0.00 175.17 173.28 1hjd s TYR 31 N -1.40 -1.65 0.16 -5.34 5.04 0.16 -4.92 117.35 109.40 1hjd s TYR 31 Ca 0.81 0.14 -0.31 0.00 -2.44 0.00 0.00 57.07 55.27 1hjd s TYR 31 Cb -0.37 0.31 -0.10 0.00 0.35 0.00 0.00 41.96 42.15 1hjd s TYR 31 CO 0.40 -1.14 1.52 0.00 -1.34 0.00 0.00 175.55 175.00 1hjd s MET 32 N 1.73 4.24 0.06 4.97 0.23 -1.26 -1.27 119.30 128.00 1hjd s MET 32 Ca 0.18 2.29 -0.34 0.00 -1.03 0.00 0.00 55.69 56.79 1hjd s MET 32 Cb -0.03 -3.17 -0.18 0.00 -1.53 0.00 0.00 34.83 29.92 1hjd s MET 32 CO -0.07 -0.56 0.84 0.00 -2.03 0.00 0.00 175.02 173.19 1hjd n ALA 33 N 3.92 -3.26 -0.13 3.16 0.00 -1.26 -4.84 120.51 118.09 1hjd n ALA 33 Ca 0.13 0.52 -0.04 0.00 0.00 0.00 0.00 53.44 54.05 1hjd n ALA 33 Cb 0.39 -1.62 0.03 0.00 0.00 0.00 0.00 19.45 18.25 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 2.21 0.10 0.00 0.00 0.11 -1.93 -3.45 132.00 129.03 1hjd h PRO 34 Ca -0.41 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.77 1hjd h PRO 34 Cb 1.36 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.44 1hjd h PRO 34 CO 0.59 0.06 0.28 -3.47 -0.21 0.00 0.00 178.00 175.26 1hjd n ASP 35 N -5.21 -0.90 -1.56 -2.05 2.03 -1.26 -4.96 116.55 102.63 1hjd n ASP 35 Ca 0.03 -1.49 -0.20 0.00 0.52 0.00 0.00 54.79 53.65 1hjd n ASP 35 Cb 0.23 1.47 -0.09 0.00 -0.72 0.00 0.00 41.12 42.01 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 -2.35 -4.96 -0.55 0.00 0.63 -1.26 -4.87 116.66 103.29 1hjd n ARG 37 Ca -0.20 0.57 -0.18 0.00 -0.92 0.00 0.00 57.85 57.11 1hjd n ARG 37 Cb 0.68 -5.27 0.16 0.00 0.45 0.00 0.00 32.46 28.47 1hjd n ARG 37 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1hjd n PHE 38 N -4.51 -3.47 -2.93 -0.14 3.72 -0.99 -4.96 117.46 104.18 1hjd n PHE 38 Ca -0.10 -0.59 -0.41 0.00 -0.05 0.00 0.00 57.45 56.30 1hjd n PHE 38 Cb 0.59 -0.70 -0.05 0.00 -0.94 0.00 0.00 39.48 38.38 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 4.09 0.77 4.37 2.96 -1.26 -4.56 118.68 125.04 1hjd s LEU 39 Ca 0.43 1.00 -0.10 0.00 -0.22 0.00 0.00 54.13 55.24 1hjd s LEU 39 Cb -0.05 -3.14 0.07 0.00 0.50 0.00 0.00 46.19 43.58 1hjd s LEU 39 CO 0.33 -0.47 1.11 0.28 -1.32 0.00 0.00 176.35 176.28 1hjd s THR 40 N 2.68 2.12 0.10 3.68 -1.32 -1.26 -4.46 115.64 117.17 1hjd s THR 40 Ca 0.34 -0.12 0.08 0.00 -1.21 0.00 0.00 61.69 60.78 1hjd s THR 40 Cb -0.15 -3.00 -0.03 0.00 -1.51 0.00 0.00 72.50 67.80 1hjd s THR 40 CO 0.08 0.00 -0.21 -0.63 -2.21 0.00 0.00 174.62 171.65 1hjd s ILE 41 N -3.44 1.71 0.07 5.08 1.01 -0.40 -4.93 121.20 120.31 1hjd s ILE 41 Ca 0.61 -1.50 0.04 0.00 0.00 0.00 0.00 60.65 59.80 1hjd s ILE 41 Cb -0.11 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 1hjd s ILE 41 CO 0.47 -0.03 -0.11 -2.28 0.00 0.00 0.00 174.94 172.99 1hjd s HIS 42 N -1.12 1.00 0.85 3.97 2.46 -1.26 0.35 115.29 121.55 1hjd s HIS 42 Ca 0.07 -0.52 -0.16 0.00 0.47 0.00 0.00 55.06 54.91 1hjd s HIS 42 Cb -0.10 -0.57 -0.10 0.00 -0.13 0.00 0.00 32.58 31.68 1hjd s HIS 42 CO 0.04 -0.00 -0.27 0.54 -2.47 0.00 0.00 174.74 172.58 1hjd n ARG 43 N 1.14 0.00 -4.20 2.88 5.12 -1.26 -2.37 116.66 117.97 1hjd n ARG 43 Ca -0.20 0.02 -0.36 0.00 -1.93 0.00 0.00 57.85 55.37 1hjd n ARG 43 Cb 0.55 -1.26 -0.04 0.00 -1.16 0.00 0.00 32.46 30.54 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 -0.44 2.88 -0.13 0.00 -1.23 -4.92 105.19 104.05 1hjd n GLY 44 Ca 0.03 0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 1.27 0.79 1.61 0.74 -1.00 -4.96 119.66 111.22 1hjd s GLN 45 Ca 0.72 -1.13 -0.11 0.00 0.05 0.00 0.00 55.36 54.89 1hjd s GLN 45 Cb -0.41 -2.50 0.07 0.00 1.10 0.00 0.00 33.01 31.27 1hjd s GLN 45 CO 0.89 -0.77 1.09 0.54 -0.55 0.00 0.00 175.29 176.48 1hjd s VAL 46 N 1.40 3.25 -0.04 1.34 0.11 -1.26 -1.54 120.40 123.66 1hjd s VAL 46 Ca 0.02 0.41 -0.10 0.00 -2.93 0.00 0.00 61.98 59.37 1hjd s VAL 46 Cb -0.18 -2.94 0.02 0.00 -1.53 0.00 0.00 36.38 31.75 1hjd s VAL 46 CO -0.12 -0.53 0.24 -0.69 -3.33 0.00 0.00 175.10 170.67 1hjd s VAL 47 N -2.94 0.04 -0.36 2.04 1.01 0.35 0.42 120.40 120.96 1hjd s VAL 47 Ca 0.61 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.20 1hjd s VAL 47 Cb -0.17 -0.47 0.08 0.00 0.00 0.00 0.00 36.38 35.83 1hjd s VAL 47 CO 0.56 -0.20 0.12 -0.31 0.00 0.00 0.00 175.10 175.27 1hjd s TYR 48 N -0.81 3.47 0.22 5.22 1.51 0.85 0.13 117.35 127.94 1hjd s TYR 48 Ca -0.09 -2.21 -0.30 0.00 -1.01 0.00 0.00 57.07 53.46 1hjd s TYR 48 Cb -0.05 -2.77 -0.09 0.00 -0.11 0.00 0.00 41.96 38.94 1hjd s TYR 48 CO 0.02 -0.90 1.28 0.08 -1.11 0.00 0.00 175.55 174.92 1hjd s VAL 49 N 1.18 3.22 -0.03 0.71 1.01 -1.05 -1.78 120.40 123.66 1hjd s VAL 49 Ca 0.03 1.04 0.09 0.00 0.00 0.00 0.00 61.98 63.14 1hjd s VAL 49 Cb -0.21 -3.66 -0.13 0.00 0.00 0.00 0.00 36.38 32.37 1hjd s VAL 49 CO -0.03 0.17 0.16 0.49 0.00 0.00 0.00 175.10 175.89 1hjd n PHE 50 N 2.33 0.00 -3.64 5.22 3.01 0.21 -0.69 117.46 123.89 1hjd n PHE 50 Ca 0.05 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.39 1hjd n PHE 50 Cb 0.43 -0.26 -0.05 0.00 -0.01 0.00 0.00 39.48 39.58 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 -3.30 -0.27 -0.42 4.37 0.15 0.07 -4.55 113.70 109.74 1hjd s SER 51 Ca -0.04 -0.15 0.03 0.00 0.70 0.00 0.00 55.95 56.50 1hjd s SER 51 Cb 0.05 0.46 0.16 0.00 -1.71 0.00 0.00 66.02 64.98 1hjd s SER 51 CO 0.37 -0.76 0.33 -1.59 1.20 0.00 0.00 173.24 172.78 1hjd s LYS 52 N -3.15 0.98 0.19 5.44 -2.85 -1.25 0.63 119.74 119.73 1hjd s LYS 52 Ca -0.01 -2.07 -0.32 0.00 -1.00 0.00 0.00 55.97 52.57 1hjd s LYS 52 Cb 0.01 -1.58 -0.11 0.00 -2.06 0.00 0.00 37.83 34.09 1hjd s LYS 52 CO -0.07 -1.34 1.62 -1.17 0.10 0.00 0.00 175.35 174.49 1hjd s LEU 53 N 0.12 4.37 0.00 2.77 0.20 -1.23 -4.06 118.68 120.85 1hjd s LEU 53 Ca 0.29 2.74 0.00 0.00 0.69 0.00 0.00 54.13 57.85 1hjd s LEU 53 Cb -0.02 -3.60 0.00 0.00 -0.43 0.00 0.00 46.19 42.14 1hjd s LEU 53 CO -0.16 -0.88 0.00 2.29 -0.29 0.00 0.00 176.35 177.31 1hjd n LYS 54 N 3.79 2.13 0.00 1.98 2.85 -1.14 -2.63 118.16 125.14 1hjd n LYS 54 Ca 0.14 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.40 1hjd n LYS 54 Cb 0.37 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.75 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 2.66 1.59 0.39 2.58 0.00 -1.26 -3.28 105.19 107.87 1hjd n GLY 55 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1hjd n GLY 55 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1hjd n ARG 56 N 0.00 0.00 -1.26 1.61 0.63 -1.26 -4.86 116.66 111.52 1hjd n ARG 56 Ca 0.00 -0.89 -0.06 0.00 -0.92 0.00 0.00 57.85 55.99 1hjd n ARG 56 Cb 0.00 -0.50 -0.03 0.00 0.45 0.00 0.00 32.46 32.38 1hjd n ARG 56 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1hjd n GLY 57 N 0.00 0.71 0.49 5.14 0.00 -1.20 -4.95 105.19 105.37 1hjd n GLY 57 Ca 0.00 -0.03 0.31 0.00 0.00 0.00 0.00 46.02 46.30 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 0.16 0.02 0.00 1.61 2.43 -1.71 0.89 114.38 117.78 1hjd h ARG 58 Ca -0.53 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 1hjd h ARG 58 Cb 1.36 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.91 1hjd h ARG 58 CO -0.26 0.02 0.00 1.47 -1.51 0.00 0.00 179.97 179.68 1hjd n LEU 59 N -4.25 0.00 -4.06 3.80 -0.00 -1.26 -4.27 117.00 106.95 1hjd n LEU 59 Ca 0.21 0.17 -0.35 0.00 -0.00 0.00 0.00 56.01 56.05 1hjd n LEU 59 Cb 1.06 -0.17 -0.09 0.00 -0.00 0.00 0.00 43.42 44.21 1hjd n LEU 59 CO 0.39 -0.05 0.12 -0.36 -0.00 0.00 0.00 177.39 177.49 1hjd s PHE 60 N -2.34 3.57 -0.05 1.47 0.40 0.31 -0.99 117.98 120.34 1hjd s PHE 60 Ca 0.26 -2.94 -0.20 0.00 -0.60 0.00 0.00 56.93 53.45 1hjd s PHE 60 Cb 0.15 -3.12 -0.05 0.00 0.51 0.00 0.00 43.02 40.51 1hjd s PHE 60 CO 0.30 -0.76 0.56 -1.58 0.70 0.00 0.00 175.22 174.44 1hjd s TRP 61 N -0.71 3.61 -0.15 0.36 0.52 -1.08 -3.56 118.94 117.94 1hjd s TRP 61 Ca 0.22 1.09 -0.22 0.00 0.02 0.00 0.00 56.10 57.21 1hjd s TRP 61 Cb -0.14 -2.61 -0.03 0.00 -1.15 0.00 0.00 33.47 29.54 1hjd s TRP 61 CO -0.08 0.26 0.66 0.20 0.02 0.00 0.00 176.95 178.01 1hjd s GLY 62 N 0.21 2.24 0.00 0.98 0.00 0.21 -1.09 107.32 109.86 1hjd s GLY 62 Ca 0.30 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.90 1hjd s GLY 62 CO 0.15 1.26 0.00 0.61 0.00 0.00 0.00 173.10 175.12 1hjd n GLY 63 N 3.51 3.88 3.52 0.20 0.00 0.22 -0.62 105.19 115.91 1hjd n GLY 63 Ca -0.01 -0.88 -0.06 0.00 0.00 0.00 0.00 46.02 45.07 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 1.66 -0.83 0.57 1.61 0.01 -0.73 0.30 113.70 116.29 1hjd s SER 64 Ca 0.00 1.35 -0.17 0.00 1.31 0.00 0.00 55.95 58.44 1hjd s SER 64 Cb 0.00 1.62 -0.05 0.00 0.21 0.00 0.00 66.02 67.80 1hjd s SER 64 CO 0.00 -0.22 1.06 -0.69 0.41 0.00 0.00 173.24 173.79 1hjd s VAL 65 N 2.23 3.74 0.53 3.43 1.01 -1.26 -0.10 120.40 129.98 1hjd s VAL 65 Ca -0.07 0.90 -0.22 0.00 0.00 0.00 0.00 61.98 62.59 1hjd s VAL 65 Cb -0.09 -3.38 -0.06 0.00 0.00 0.00 0.00 36.38 32.84 1hjd s VAL 65 CO -0.17 -0.42 1.17 0.00 0.00 0.00 0.00 175.10 175.68 1hjd n GLN 66 N -1.75 1.43 -3.49 2.72 10.64 0.17 -4.86 117.38 122.24 1hjd n GLN 66 Ca 0.09 0.53 -0.29 0.00 -1.83 0.00 0.00 57.00 55.50 1hjd n GLN 66 Cb 0.53 -2.34 -0.13 0.00 -0.86 0.00 0.00 30.24 27.43 1hjd n GLN 66 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 1hjd s GLY 67 N -0.94 0.71 0.17 2.61 0.00 -1.26 -4.96 107.32 103.65 1hjd s GLY 67 Ca 0.70 -1.56 -0.12 0.00 0.00 0.00 0.00 44.72 43.75 1hjd s GLY 67 CO 0.51 2.08 0.52 0.99 0.00 0.00 0.00 173.10 177.20 1hjd s ASP 68 N 1.47 6.71 0.28 1.64 1.11 -1.26 -5.04 116.67 121.59 1hjd s ASP 68 Ca 0.14 0.96 -0.30 0.00 0.18 0.00 0.00 52.55 53.54 1hjd s ASP 68 Cb -0.20 -2.24 -0.11 0.00 1.07 0.00 0.00 42.92 41.44 1hjd s ASP 68 CO -0.14 0.04 1.50 -0.72 1.18 0.00 0.00 175.17 177.03 1hjd s TYR 69 N -1.60 2.87 -0.24 4.23 -0.85 -1.26 -3.49 117.35 117.02 1hjd s TYR 69 Ca 0.41 0.96 -0.06 0.00 -0.52 0.00 0.00 57.07 57.86 1hjd s TYR 69 Cb -0.13 -3.93 0.02 0.00 0.38 0.00 0.00 41.96 38.30 1hjd s TYR 69 CO 0.20 -3.02 0.12 0.66 -1.52 0.00 0.00 175.55 171.99 1hjd n TYR 70 N 2.00 -4.05 0.00 -3.49 4.02 -1.26 -4.79 117.16 109.58 1hjd n TYR 70 Ca 0.06 2.09 0.00 0.00 -0.01 0.00 0.00 57.90 60.04 1hjd n TYR 70 Cb 0.39 -3.86 0.00 0.00 -0.02 0.00 0.00 39.34 35.85 1hjd n TYR 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1hjd n GLY 71 N 1.13 1.48 2.65 2.72 0.00 -1.26 -5.04 105.19 106.87 1hjd n GLY 71 Ca -0.20 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.03 -4.43 1.61 -0.08 -1.23 -4.80 116.55 106.59 1hjd n ASP 72 Ca 0.00 -1.55 -0.29 0.00 -1.51 0.00 0.00 54.79 51.44 1hjd n ASP 72 Cb 0.00 1.00 0.15 0.00 2.34 0.00 0.00 41.12 44.61 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 -0.99 2.64 -0.34 -2.67 1.02 -1.26 -4.33 118.68 112.75 1hjd s LEU 73 Ca 0.20 0.46 -0.05 0.00 0.02 0.00 0.00 54.13 54.76 1hjd s LEU 73 Cb 0.30 -2.68 0.01 0.00 0.02 0.00 0.00 46.19 43.84 1hjd s LEU 73 CO -0.22 -2.40 0.18 0.00 0.02 0.00 0.00 176.35 173.93 1hjd n ALA 74 N -3.58 -3.34 -4.08 4.21 0.00 -1.26 -5.02 120.51 107.44 1hjd n ALA 74 Ca 0.12 0.69 -0.33 0.00 0.00 0.00 0.00 53.44 53.93 1hjd n ALA 74 Cb 0.60 -1.82 -0.16 0.00 0.00 0.00 0.00 19.45 18.08 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 -1.89 2.44 -0.13 0.00 0.00 -1.26 -5.06 121.76 115.86 1hjd s ALA 75 Ca 0.08 -1.45 -0.27 0.00 0.00 0.00 0.00 51.96 50.31 1hjd s ALA 75 Cb -0.02 -1.37 0.07 0.00 0.00 0.00 0.00 23.12 21.80 1hjd s ALA 75 CO 0.76 -0.71 0.66 0.50 0.00 0.00 0.00 175.76 176.97 1hjd s ARG 76 N 1.22 0.94 0.35 0.00 6.06 -1.26 -5.14 118.95 121.12 1hjd s ARG 76 Ca -0.01 0.50 -0.28 0.00 -2.50 0.00 0.00 55.73 53.44 1hjd s ARG 76 Cb -0.16 0.45 -0.11 0.00 0.06 0.00 0.00 34.95 35.19 1hjd s ARG 76 CO -0.09 -0.23 1.44 -0.51 -2.50 0.00 0.00 175.30 173.40 1hjd s LEU 77 N -0.60 4.35 0.31 -0.88 1.43 -1.26 -4.59 118.68 117.44 1hjd s LEU 77 Ca -0.07 2.92 0.03 0.00 -1.03 0.00 0.00 54.13 55.98 1hjd s LEU 77 Cb -0.02 -3.66 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 1hjd s LEU 77 CO 0.06 -0.77 0.12 -0.83 0.23 0.00 0.00 176.35 175.17 1hjd s GLY 78 N -0.19 2.03 -0.20 -3.19 0.00 0.15 -4.95 107.32 100.97 1hjd s GLY 78 Ca 0.52 -1.76 -0.03 0.00 0.00 0.00 0.00 44.72 43.46 1hjd s GLY 78 CO 0.58 -1.65 0.04 -0.19 0.00 0.00 0.00 173.10 171.88 1hjd s TYR 79 N -3.56 1.10 0.16 1.90 1.51 -1.26 0.73 117.35 117.93 1hjd s TYR 79 Ca 0.35 -0.93 -0.22 0.00 -1.01 0.00 0.00 57.07 55.26 1hjd s TYR 79 Cb 0.06 -1.07 0.06 0.00 -0.11 0.00 0.00 41.96 40.90 1hjd s TYR 79 CO 0.16 -0.63 0.58 -0.59 -1.11 0.00 0.00 175.55 173.96 1hjd s PHE 80 N 1.83 -0.47 -0.26 2.71 -0.12 -0.25 -4.77 117.98 116.65 1hjd s PHE 80 Ca -0.01 0.23 -0.38 0.00 -0.05 0.00 0.00 56.93 56.73 1hjd s PHE 80 Cb -0.17 0.53 -0.14 0.00 -0.63 0.00 0.00 43.02 42.61 1hjd s PHE 80 CO -0.09 -0.86 1.89 -2.30 -0.05 0.00 0.00 175.22 173.82 1hjd n PRO 81 N -0.37 1.32 0.00 1.99 -0.02 -0.17 -2.63 135.00 135.14 1hjd n PRO 81 Ca -0.16 0.46 0.11 0.00 -2.02 0.00 0.00 63.50 61.90 1hjd n PRO 81 Cb 0.64 -2.29 0.57 0.00 -0.02 0.00 0.00 33.50 32.41 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 6.77 0.00 -0.34 2.55 2.88 -1.26 -3.72 113.62 120.49 1hjd n SER 82 Ca 0.30 0.06 0.22 0.00 -1.33 0.00 0.00 58.87 58.12 1hjd n SER 82 Cb 0.18 -0.33 0.48 0.00 -0.75 0.00 0.00 64.21 63.79 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 0.00 0.52 -0.48 -3.46 4.64 -1.93 0.43 113.55 113.26 1hjd h SER 83 Ca 0.00 0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.41 1hjd h SER 83 Cb 0.25 0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.36 1hjd h SER 83 CO 0.00 0.04 0.20 -0.29 -0.87 0.00 0.00 176.83 175.91 1hjd h ILE 84 N 0.42 1.20 -2.96 0.95 6.09 -1.96 -3.43 117.51 117.82 1hjd h ILE 84 Ca 0.65 -0.63 -0.60 0.00 -1.37 0.00 0.00 64.86 62.91 1hjd h ILE 84 Cb 1.53 0.58 -0.04 0.00 0.47 0.00 0.00 36.82 39.36 1hjd h ILE 84 CO -0.40 0.25 -0.43 0.68 -3.07 0.00 0.00 178.15 175.17 1hjd s VAL 85 N -5.34 5.31 -0.21 2.19 -7.23 0.15 -1.19 120.40 114.08 1hjd s VAL 85 Ca -0.09 -0.28 -0.04 0.00 -1.81 0.00 0.00 61.98 59.76 1hjd s VAL 85 Cb 0.16 -3.64 -0.01 0.00 0.56 0.00 0.00 36.38 33.45 1hjd s VAL 85 CO 0.78 0.08 -0.04 -0.13 -0.31 0.00 0.00 175.10 175.48 1hjd s ARG 86 N -2.64 3.45 -0.23 4.82 1.81 0.43 -4.82 118.95 121.77 1hjd s ARG 86 Ca 0.37 -0.60 -0.29 0.00 -1.72 0.00 0.00 55.73 53.49 1hjd s ARG 86 Cb -0.13 -3.00 -0.03 0.00 -0.45 0.00 0.00 34.95 31.34 1hjd s ARG 86 CO 0.27 -0.10 1.71 -1.83 -0.68 0.00 0.00 175.30 174.67 1hjd s GLU 87 N 1.25 3.68 -0.23 3.54 -1.05 -1.26 -0.44 118.70 124.19 1hjd s GLU 87 Ca 0.03 1.69 -0.12 0.00 -0.15 0.00 0.00 54.97 56.42 1hjd s GLU 87 Cb -0.14 -4.10 -0.10 0.00 -0.44 0.00 0.00 34.13 29.35 1hjd s GLU 87 CO -0.01 -1.44 -0.31 -3.47 0.95 0.00 0.00 175.26 170.98 1hjd n ASP 88 N 8.97 1.69 -4.79 0.83 -0.08 -0.91 -4.95 116.55 117.30 1hjd n ASP 88 Ca 0.20 0.29 -0.31 0.00 -1.51 0.00 0.00 54.79 53.47 1hjd n ASP 88 Cb 0.45 -0.70 -0.06 0.00 2.34 0.00 0.00 41.12 43.15 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 -2.48 2.96 0.03 -0.67 0.74 -1.23 -5.00 119.66 114.02 1hjd s GLN 89 Ca -0.32 -0.65 0.01 0.00 0.05 0.00 0.00 55.36 54.45 1hjd s GLN 89 Cb 0.12 -2.77 -0.02 0.00 1.10 0.00 0.00 33.01 31.44 1hjd s GLN 89 CO 0.41 0.57 -0.05 0.95 -0.55 0.00 0.00 175.29 176.62 1hjd s THR 90 N -1.40 0.32 0.00 -0.34 -4.23 -1.26 0.73 115.64 109.45 1hjd s THR 90 Ca 0.30 -0.94 0.05 0.00 -1.18 0.00 0.00 61.69 59.91 1hjd s THR 90 Cb -0.12 -0.42 0.08 0.00 1.34 0.00 0.00 72.50 73.38 1hjd s THR 90 CO 0.23 -0.41 0.87 -0.11 -0.54 0.00 0.00 174.62 174.65 1hjd n LEU 91 N 1.62 -0.04 -4.49 4.79 0.00 -1.04 -4.91 117.00 112.92 1hjd n LEU 91 Ca -0.23 -1.40 -0.44 0.00 0.00 0.00 0.00 56.01 53.94 1hjd n LEU 91 Cb 0.55 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.90 1hjd n LEU 91 CO 0.21 0.82 1.97 0.29 0.00 0.00 0.00 177.39 180.67 1hjd n LYS 92 N 0.09 0.86 -0.02 1.96 5.02 0.18 -4.71 118.16 121.53 1hjd n LYS 92 Ca -0.05 0.14 -0.21 0.00 -2.02 0.00 0.00 58.31 56.17 1hjd n LYS 92 Cb 0.72 -2.58 -0.13 0.00 -0.02 0.00 0.00 35.03 33.01 1hjd n LYS 92 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1hjd h PRO 93 N 14.64 0.18 -5.19 1.97 0.13 -1.82 -3.49 132.00 138.42 1hjd h PRO 93 Ca -0.22 -0.30 -0.40 0.00 -0.87 0.00 0.00 66.00 64.21 1hjd h PRO 93 Cb 1.30 0.11 -0.14 0.00 0.13 0.00 0.00 31.00 32.40 1hjd h PRO 93 CO 1.14 1.14 -0.67 0.20 -0.23 0.00 0.00 178.00 179.58 1hjd s GLY 94 N -5.04 1.53 -0.36 1.56 0.00 -1.26 -4.91 107.32 98.84 1hjd s GLY 94 Ca -0.23 -1.74 0.13 0.00 0.00 0.00 0.00 44.72 42.88 1hjd s GLY 94 CO 0.72 -1.69 1.19 0.58 0.00 0.00 0.00 173.10 173.90 1hjd n LYS 95 N -0.41 1.20 -3.26 2.90 0.00 -1.10 -3.79 118.16 113.69 1hjd n LYS 95 Ca -0.06 -2.43 -0.39 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 -1.28 4.82 0.40 0.58 1.01 0.74 -4.71 120.40 121.95 1hjd s VAL 96 Ca 0.24 1.21 -0.24 0.00 0.00 0.00 0.00 61.98 63.18 1hjd s VAL 96 Cb 0.42 -3.90 -0.09 0.00 0.00 0.00 0.00 36.38 32.82 1hjd s VAL 96 CO -0.04 0.50 1.07 -0.62 0.00 0.00 0.00 175.10 176.01 1hjd s ASP 97 N -0.73 6.73 -0.26 3.32 2.15 -1.26 0.11 116.67 126.73 1hjd s ASP 97 Ca 0.29 2.09 -0.03 0.00 0.43 0.00 0.00 52.55 55.33 1hjd s ASP 97 Cb -0.19 -2.59 0.09 0.00 -0.30 0.00 0.00 42.92 39.93 1hjd s ASP 97 CO 0.18 -0.52 0.10 -0.69 -0.17 0.00 0.00 175.17 174.07 1hjd s VAL 98 N -1.61 0.20 0.20 1.11 1.01 0.44 -4.86 120.40 116.90 1hjd s VAL 98 Ca 0.57 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 1hjd s VAL 98 Cb -0.24 -1.05 -0.09 0.00 0.00 0.00 0.00 36.38 35.01 1hjd s VAL 98 CO 0.30 -0.56 1.27 -0.75 0.00 0.00 0.00 175.10 175.35 1hjd s LYS 99 N 1.98 4.43 0.93 2.72 2.20 -1.26 -1.51 119.74 129.23 1hjd s LYS 99 Ca 0.06 2.00 -0.15 0.00 -0.36 0.00 0.00 55.97 57.52 1hjd s LYS 99 Cb -0.16 -3.20 0.17 0.00 -1.51 0.00 0.00 37.83 33.12 1hjd s LYS 99 CO -0.25 -0.18 1.26 -0.08 -0.36 0.00 0.00 175.35 175.73 1hjd s THR 100 N -0.05 1.97 0.11 3.43 -1.32 -0.97 -4.95 115.64 113.85 1hjd s THR 100 Ca 0.55 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.03 1hjd s THR 100 Cb -0.35 -2.94 0.00 0.00 -1.51 0.00 0.00 72.50 67.69 1hjd s THR 100 CO 0.39 0.00 0.00 -0.67 -2.21 0.00 0.00 174.62 172.13 1hjd n ASP 101 N -3.72 0.11 -2.83 8.08 2.03 -1.26 -4.74 116.55 114.22 1hjd n ASP 101 Ca 0.12 0.18 -0.11 0.00 0.52 0.00 0.00 54.79 55.51 1hjd n ASP 101 Cb 0.60 0.08 0.09 0.00 -0.72 0.00 0.00 41.12 41.17 1hjd n ASP 101 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1hjd n LYS 102 N -3.05 -1.41 0.22 -0.67 4.76 -1.26 -4.85 118.16 111.90 1hjd n LYS 102 Ca 0.00 -0.66 0.13 0.00 -2.87 0.00 0.00 58.31 54.90 1hjd n LYS 102 Cb 0.09 -0.56 0.68 0.00 -1.84 0.00 0.00 35.03 33.39 1hjd n LYS 102 CO 0.00 0.00 0.00 -1.49 -1.37 0.00 0.00 177.40 174.54 1hjd h TRP 103 N -1.76 0.00 -6.08 2.13 4.06 -2.03 -3.45 115.95 108.82 1hjd h TRP 103 Ca -0.15 0.00 -0.42 0.00 2.06 0.00 0.00 58.89 60.38 1hjd h TRP 103 Cb 0.45 0.00 -0.17 0.00 -1.00 0.00 0.00 29.16 28.44 1hjd h TRP 103 CO 0.00 0.00 -0.62 -0.40 -3.56 0.00 0.00 178.44 173.86 1hjd n ASP 104 N -2.45 -2.84 -2.68 -3.49 5.68 -1.26 -4.81 116.55 104.70 1hjd n ASP 104 Ca -0.02 -0.60 -0.04 0.00 -0.50 0.00 0.00 54.79 53.63 1hjd n ASP 104 Cb 0.18 -2.39 0.04 0.00 -1.14 0.00 0.00 41.12 37.81 1hjd n ASP 104 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 1hjd n PHE 105 N -3.87 -1.13 -1.01 2.11 7.35 -1.26 -5.01 117.46 114.63 1hjd n PHE 105 Ca 0.04 -0.78 0.06 0.00 -0.76 0.00 0.00 57.45 56.02 1hjd n PHE 105 Cb 0.50 1.15 0.29 0.00 0.35 0.00 0.00 39.48 41.78 1hjd n PHE 105 CO 0.00 0.00 0.00 0.98 -0.76 0.00 0.00 176.76 176.98 1hjd n TYR 106 N 2.46 1.35 -3.20 -5.13 4.19 -1.26 -5.00 117.16 110.57 1hjd n TYR 106 Ca 0.11 -0.92 -0.14 0.00 3.31 0.00 0.00 57.90 60.27 1hjd n TYR 106 Cb 0.65 -0.40 0.01 0.00 0.49 0.00 0.00 39.34 40.08 1hjd n TYR 106 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77