#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 0.04 0.00 2.15 -1.26 -4.54 116.67 118.82 1hjd s ASP 9 Ca 0.00 -1.55 -0.09 0.00 0.43 0.00 0.00 52.55 51.34 1hjd s ASP 9 Cb 0.00 -2.04 0.00 0.00 -0.30 0.00 0.00 42.92 40.59 1hjd s ASP 9 CO 0.00 -0.59 0.19 -0.13 -0.17 0.00 0.00 175.17 174.47 1hjd s ARG 10 N 1.46 0.69 0.03 4.34 3.00 -1.26 -3.25 118.95 123.96 1hjd s ARG 10 Ca 0.04 -0.65 -0.08 0.00 0.00 0.00 0.00 55.73 55.04 1hjd s ARG 10 Cb -0.24 0.29 -0.00 0.00 0.00 0.00 0.00 34.95 35.00 1hjd s ARG 10 CO 0.03 -0.20 0.14 -1.59 0.00 0.00 0.00 175.30 173.68 1hjd s LYS 11 N -2.62 0.59 0.08 3.54 0.00 -0.17 -3.87 119.74 117.28 1hjd s LYS 11 Ca -0.05 -0.58 -0.21 0.00 0.00 0.00 0.00 55.97 55.13 1hjd s LYS 11 Cb -0.01 0.24 -0.07 0.00 0.00 0.00 0.00 37.83 37.99 1hjd s LYS 11 CO -0.04 -0.15 0.61 -0.51 0.00 0.00 0.00 175.35 175.25 1hjd s LEU 12 N -1.85 4.53 0.11 2.77 1.02 -0.61 0.18 118.68 124.83 1hjd s LEU 12 Ca -0.09 1.32 0.09 0.00 0.02 0.00 0.00 54.13 55.48 1hjd s LEU 12 Cb -0.03 -2.97 -0.04 0.00 0.02 0.00 0.00 46.19 43.17 1hjd s LEU 12 CO -0.02 0.24 -0.24 0.00 0.02 0.00 0.00 176.35 176.35 1hjd n ALA 14 N 1.09 5.10 -1.34 0.00 0.00 -1.25 -0.38 120.51 123.73 1hjd n ALA 14 Ca -0.19 -2.34 0.16 0.00 0.00 0.00 0.00 53.44 51.08 1hjd n ALA 14 Cb 0.53 -3.10 -0.06 0.00 0.00 0.00 0.00 19.45 16.82 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 4.32 -7.61 0.00 0.00 9.92 -1.26 -4.13 116.55 117.79 1hjd n ASP 15 Ca 0.50 0.93 0.00 0.00 -0.53 0.00 0.00 54.79 55.70 1hjd n ASP 15 Cb 0.17 -4.35 0.00 0.00 -0.64 0.00 0.00 41.12 36.30 1hjd n ASP 15 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1hjd n GLN 16 N -4.04 0.00 -1.05 -1.24 7.27 -1.26 -2.51 117.38 114.55 1hjd n GLN 16 Ca -0.04 0.00 -0.18 0.00 0.07 0.00 0.00 57.00 56.85 1hjd n GLN 16 Cb 0.66 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 33.31 1hjd n GLN 16 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 1hjd n GLU 17 N 0.00 1.94 -2.84 3.69 0.28 -1.26 -4.74 120.64 117.71 1hjd n GLU 17 Ca 0.00 -1.67 -0.22 0.00 -0.16 0.00 0.00 57.16 55.11 1hjd n GLU 17 Cb 0.00 -1.76 0.02 0.00 1.43 0.00 0.00 31.44 31.13 1hjd n GLU 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1hjd h SER 19 N -0.93 0.02 -3.74 0.00 0.02 -1.82 -3.46 113.55 103.63 1hjd h SER 19 Ca -0.51 -0.02 -0.49 0.00 -0.84 0.00 0.00 61.79 59.92 1hjd h SER 19 Cb 1.36 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.87 1hjd h SER 19 CO 0.57 1.02 0.12 -1.00 -1.14 0.00 0.00 176.83 176.40 1hjd s HIS 20 N -2.67 3.39 0.00 3.45 3.76 -1.26 -5.09 115.29 116.87 1hjd s HIS 20 Ca -0.01 1.26 0.00 0.00 -0.15 0.00 0.00 55.06 56.16 1hjd s HIS 20 Cb 0.09 -2.56 0.00 0.00 1.11 0.00 0.00 32.58 31.22 1hjd s HIS 20 CO 0.82 0.09 0.00 -0.35 -0.85 0.00 0.00 174.74 174.46 1hjd n PRO 21 N -0.31 -0.31 0.00 8.40 -0.04 -1.26 -4.32 135.00 137.16 1hjd n PRO 21 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1hjd n PRO 21 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1hjd n PRO 21 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1hjd n ILE 22 N -1.88 0.00 -2.85 0.52 2.08 -0.76 -4.36 119.36 112.11 1hjd n ILE 22 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1hjd n ILE 22 Cb 0.00 -0.90 0.00 0.00 -0.75 0.00 0.00 39.64 37.99 1hjd n ILE 22 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1hjd n SER 23 N -2.39 0.00 -4.00 4.38 7.64 -1.23 0.13 113.62 118.16 1hjd n SER 23 Ca 0.00 -0.72 -0.22 0.00 1.01 0.00 0.00 58.87 58.93 1hjd n SER 23 Cb 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 1hjd n SER 23 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1hjd s MET 24 N -1.17 1.31 -0.02 1.43 1.75 -0.05 -0.92 119.30 121.63 1hjd s MET 24 Ca 0.00 -0.33 -0.01 0.00 -1.25 0.00 0.00 55.69 54.10 1hjd s MET 24 Cb 0.00 -1.15 0.01 0.00 2.84 0.00 0.00 34.83 36.53 1hjd s MET 24 CO 0.00 0.04 0.04 0.00 -0.65 0.00 0.00 175.02 174.45 1hjd s ALA 25 N 0.54 -0.07 0.13 4.11 0.00 0.32 -0.81 121.76 125.99 1hjd s ALA 25 Ca -0.10 0.16 -0.01 0.00 0.00 0.00 0.00 51.96 52.01 1hjd s ALA 25 Cb -0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 1hjd s ALA 25 CO 0.02 -0.04 0.32 0.08 0.00 0.00 0.00 175.76 176.14 1hjd s VAL 26 N 0.25 5.27 -0.03 0.00 1.01 -0.10 0.11 120.40 126.90 1hjd s VAL 26 Ca -0.02 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 1hjd s VAL 26 Cb -0.03 -3.67 -0.06 0.00 0.00 0.00 0.00 36.38 32.62 1hjd s VAL 26 CO -0.01 -0.00 1.73 0.00 0.00 0.00 0.00 175.10 176.81 1hjd s ALA 27 N -1.68 3.61 -1.93 5.51 0.00 0.28 0.13 121.76 127.68 1hjd s ALA 27 Ca 0.38 1.03 0.30 0.00 0.00 0.00 0.00 51.96 53.67 1hjd s ALA 27 Cb -0.12 -3.77 1.55 0.00 0.00 0.00 0.00 23.12 20.78 1hjd s ALA 27 CO 0.27 -1.44 2.03 -0.11 0.00 0.00 0.00 175.76 176.52 1hjd n LEU 28 N 7.22 0.38 0.00 0.00 0.00 0.16 -3.60 117.00 121.16 1hjd n LEU 28 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 56.01 56.14 1hjd n LEU 28 Cb 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 43.42 43.76 1hjd n LEU 28 CO 0.64 0.06 0.00 0.00 0.00 0.00 0.00 177.39 178.09 1hjd n GLN 29 N -0.82 -1.75 -2.46 1.96 10.64 -1.24 -4.96 117.38 118.74 1hjd n GLN 29 Ca 0.20 0.00 -0.37 0.00 -1.83 0.00 0.00 57.00 55.00 1hjd n GLN 29 Cb 0.21 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.56 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 6.63 -0.45 2.61 -1.08 -1.26 -3.86 116.67 119.26 1hjd s ASP 30 Ca 0.00 2.12 0.06 0.00 -0.52 0.00 0.00 52.55 54.21 1hjd s ASP 30 Cb 0.00 -2.59 0.19 0.00 -1.46 0.00 0.00 42.92 39.05 1hjd s ASP 30 CO 0.00 -0.58 0.70 -0.47 0.52 0.00 0.00 175.17 175.34 1hjd s TYR 31 N -1.61 -1.59 -1.05 -5.34 5.04 0.26 -4.93 117.35 108.15 1hjd s TYR 31 Ca 0.59 -0.11 -0.25 0.00 -2.44 0.00 0.00 57.07 54.85 1hjd s TYR 31 Cb -0.24 0.30 -0.17 0.00 0.35 0.00 0.00 41.96 42.20 1hjd s TYR 31 CO 0.30 -1.15 1.99 0.00 -1.34 0.00 0.00 175.55 175.34 1hjd n MET 32 N 3.70 0.89 -1.41 4.97 0.00 -1.26 -1.45 117.12 122.57 1hjd n MET 32 Ca 0.14 -2.04 -0.38 0.00 0.00 0.00 0.00 57.70 55.42 1hjd n MET 32 Cb 0.57 -3.69 -0.14 0.00 0.00 0.00 0.00 33.22 29.96 1hjd n MET 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1hjd n ALA 33 N 15.89 0.29 -2.56 3.17 0.00 -1.26 -4.80 120.51 131.25 1hjd n ALA 33 Ca 0.44 -0.28 -0.41 0.00 0.00 0.00 0.00 53.44 53.19 1hjd n ALA 33 Cb 0.46 -2.13 -0.02 0.00 0.00 0.00 0.00 19.45 17.76 1hjd n ALA 33 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1hjd s PRO 34 N 8.38 3.71 -0.38 0.00 0.04 -1.26 -3.65 135.00 141.84 1hjd s PRO 34 Ca 1.27 -1.42 -0.02 0.00 0.04 0.00 0.00 61.00 60.88 1hjd s PRO 34 Cb -1.17 -5.42 0.19 0.00 0.04 0.00 0.00 34.50 28.14 1hjd s PRO 34 CO 0.46 -2.25 0.91 0.34 0.04 0.00 0.00 177.00 176.50 1hjd s ASP 35 N 4.76 -0.79 -1.48 6.66 2.15 -1.26 -4.95 116.67 121.76 1hjd s ASP 35 Ca 0.49 -0.65 -0.07 0.00 0.43 0.00 0.00 52.55 52.76 1hjd s ASP 35 Cb 0.01 1.02 0.02 0.00 -0.30 0.00 0.00 42.92 43.67 1hjd s ASP 35 CO -0.03 -0.06 0.75 0.00 -0.17 0.00 0.00 175.17 175.66 1hjd n ARG 37 N -4.27 -7.49 0.00 0.00 0.63 -1.26 -4.99 116.66 99.27 1hjd n ARG 37 Ca -0.06 0.82 0.00 0.00 -0.92 0.00 0.00 57.85 57.69 1hjd n ARG 37 Cb 0.59 -5.83 0.00 0.00 0.45 0.00 0.00 32.46 27.67 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 -4.72 -1.86 -2.68 -0.14 3.01 -0.74 -4.85 117.46 105.47 1hjd n PHE 38 Ca -0.07 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.97 1hjd n PHE 38 Cb 0.59 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.03 1hjd n PHE 38 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1hjd s LEU 39 N 0.00 3.69 0.97 4.37 0.20 -1.26 -4.82 118.68 121.83 1hjd s LEU 39 Ca 0.00 -0.55 -0.12 0.00 0.69 0.00 0.00 54.13 54.14 1hjd s LEU 39 Cb 0.00 -2.61 0.17 0.00 -0.43 0.00 0.00 46.19 43.32 1hjd s LEU 39 CO 0.00 -1.60 1.11 0.28 -0.29 0.00 0.00 176.35 175.85 1hjd s THR 40 N 4.92 2.00 0.01 3.68 -1.32 -1.26 -4.63 115.64 119.04 1hjd s THR 40 Ca 0.31 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.87 1hjd s THR 40 Cb -0.11 -2.60 -0.02 0.00 -1.51 0.00 0.00 72.50 68.26 1hjd s THR 40 CO 0.15 -0.00 -0.22 -0.63 -2.21 0.00 0.00 174.62 171.71 1hjd s ILE 41 N -3.09 1.76 0.03 5.08 -1.09 -0.53 -4.89 121.20 118.46 1hjd s ILE 41 Ca 0.65 -1.07 0.03 0.00 -2.23 0.00 0.00 60.65 58.03 1hjd s ILE 41 Cb -0.17 -1.49 -0.02 0.00 -1.58 0.00 0.00 42.46 39.20 1hjd s ILE 41 CO 0.56 0.39 -0.10 -2.28 -1.23 0.00 0.00 174.94 172.28 1hjd s HIS 42 N -0.63 0.83 0.94 3.97 2.46 -1.25 0.93 115.29 122.53 1hjd s HIS 42 Ca 0.09 -0.33 -0.16 0.00 0.47 0.00 0.00 55.06 55.13 1hjd s HIS 42 Cb -0.09 -0.50 -0.08 0.00 -0.13 0.00 0.00 32.58 31.78 1hjd s HIS 42 CO 0.00 -0.02 -0.30 0.54 -2.47 0.00 0.00 174.74 172.50 1hjd n ARG 43 N 2.03 -0.08 -4.22 2.88 5.12 -1.25 -2.78 116.66 118.36 1hjd n ARG 43 Ca -0.18 -0.01 -0.32 0.00 -1.93 0.00 0.00 57.85 55.41 1hjd n ARG 43 Cb 0.56 -1.33 -0.06 0.00 -1.16 0.00 0.00 32.46 30.47 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 -0.25 2.83 -0.13 0.00 -1.24 -4.93 105.19 104.16 1hjd n GLY 44 Ca 0.02 0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 -7.02 1.12 0.65 1.61 0.74 -1.12 -4.96 119.66 110.69 1hjd s GLN 45 Ca 0.27 -0.60 -0.15 0.00 0.05 0.00 0.00 55.36 54.92 1hjd s GLN 45 Cb -0.15 -2.20 -0.00 0.00 1.10 0.00 0.00 33.01 31.76 1hjd s GLN 45 CO 0.96 -0.57 1.11 0.08 -0.55 0.00 0.00 175.29 176.31 1hjd s VAL 46 N 1.67 3.26 -0.01 1.34 1.01 -1.26 0.98 120.40 127.40 1hjd s VAL 46 Ca -0.02 0.59 -0.15 0.00 0.00 0.00 0.00 61.98 62.40 1hjd s VAL 46 Cb -0.17 -3.11 0.02 0.00 0.00 0.00 0.00 36.38 33.12 1hjd s VAL 46 CO -0.07 -0.36 0.32 -0.69 0.00 0.00 0.00 175.10 174.30 1hjd s VAL 47 N -2.33 0.06 -0.20 2.92 1.01 0.31 0.57 120.40 122.74 1hjd s VAL 47 Ca 0.67 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 62.17 1hjd s VAL 47 Cb -0.20 -0.68 0.03 0.00 0.00 0.00 0.00 36.38 35.52 1hjd s VAL 47 CO 0.41 -0.27 -0.17 -0.31 0.00 0.00 0.00 175.10 174.76 1hjd s TYR 48 N -1.53 2.88 0.19 5.22 1.51 0.38 0.12 117.35 126.12 1hjd s TYR 48 Ca -0.12 -1.72 -0.30 0.00 -1.01 0.00 0.00 57.07 53.92 1hjd s TYR 48 Cb -0.04 -1.94 -0.08 0.00 -0.11 0.00 0.00 41.96 39.78 1hjd s TYR 48 CO 0.03 -0.80 1.30 0.08 -1.11 0.00 0.00 175.55 175.05 1hjd s VAL 49 N 1.27 3.28 -0.04 0.71 1.01 -0.10 -0.60 120.40 125.93 1hjd s VAL 49 Ca 0.02 1.03 0.06 0.00 0.00 0.00 0.00 61.98 63.10 1hjd s VAL 49 Cb -0.14 -3.66 -0.09 0.00 0.00 0.00 0.00 36.38 32.48 1hjd s VAL 49 CO -0.11 0.15 0.07 0.33 0.00 0.00 0.00 175.10 175.54 1hjd n PHE 50 N 2.78 0.00 -3.47 5.22 -0.00 -0.54 -1.84 117.46 119.61 1hjd n PHE 50 Ca 0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.39 1hjd n PHE 50 Cb 0.43 -0.26 -0.03 0.00 -0.00 0.00 0.00 39.48 39.61 1hjd n PHE 50 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 1hjd s SER 51 N -3.44 -0.53 -0.04 -2.13 0.01 -0.56 -4.66 113.70 102.36 1hjd s SER 51 Ca -0.03 0.18 -0.01 0.00 1.31 0.00 0.00 55.95 57.41 1hjd s SER 51 Cb 0.03 0.51 0.03 0.00 0.21 0.00 0.00 66.02 66.80 1hjd s SER 51 CO 0.28 -0.77 0.02 -1.59 0.41 0.00 0.00 173.24 171.59 1hjd s LYS 52 N -2.87 0.23 -0.15 12.44 0.00 -1.24 0.12 119.74 128.27 1hjd s LYS 52 Ca -0.01 0.17 0.01 0.00 0.00 0.00 0.00 55.97 56.14 1hjd s LYS 52 Cb -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 37.83 37.27 1hjd s LYS 52 CO -0.06 -0.21 -0.17 -1.17 0.00 0.00 0.00 175.35 173.74 1hjd s LEU 53 N 1.46 2.39 0.00 2.77 0.20 -1.24 -1.57 118.68 122.69 1hjd s LEU 53 Ca -0.04 -0.50 0.00 0.00 0.69 0.00 0.00 54.13 54.28 1hjd s LEU 53 Cb -0.13 -1.54 0.00 0.00 -0.43 0.00 0.00 46.19 44.10 1hjd s LEU 53 CO -0.03 0.08 0.00 2.29 -0.29 0.00 0.00 176.35 178.41 1hjd n LYS 54 N 4.07 2.54 0.00 1.98 2.85 -1.25 -2.54 118.16 125.80 1hjd n LYS 54 Ca -0.19 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.07 1hjd n LYS 54 Cb 0.52 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.90 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 3.24 1.63 0.34 2.58 0.00 -1.26 -3.65 105.19 108.06 1hjd n GLY 55 Ca 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 45.96 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 0.32 -1.58 1.61 -4.01 -1.26 -4.86 116.66 106.88 1hjd n ARG 56 Ca 0.00 -1.21 -0.02 0.00 -1.04 0.00 0.00 57.85 55.58 1hjd n ARG 56 Cb 0.00 -0.68 0.03 0.00 -3.04 0.00 0.00 32.46 28.76 1hjd n ARG 56 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1hjd n GLY 57 N -0.26 0.34 0.42 2.89 0.00 -1.24 -4.98 105.19 102.36 1hjd n GLY 57 Ca 0.03 -0.05 0.23 0.00 0.00 0.00 0.00 46.02 46.22 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 0.31 0.30 0.00 1.61 2.43 -1.72 0.69 114.38 118.01 1hjd h ARG 58 Ca -0.25 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1hjd h ARG 58 Cb 1.08 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1hjd h ARG 58 CO -0.12 0.20 0.00 1.47 -1.51 0.00 0.00 179.97 180.02 1hjd n LEU 59 N -4.48 0.00 -4.07 3.80 -0.00 -1.26 -4.14 117.00 106.84 1hjd n LEU 59 Ca 0.21 0.39 -0.35 0.00 -0.00 0.00 0.00 56.01 56.26 1hjd n LEU 59 Cb 0.83 -0.39 -0.09 0.00 -0.00 0.00 0.00 43.42 43.77 1hjd n LEU 59 CO 0.31 -0.20 0.15 -0.36 -0.00 0.00 0.00 177.39 177.29 1hjd s PHE 60 N -2.78 3.62 -0.09 1.47 0.08 0.24 -1.22 117.98 119.30 1hjd s PHE 60 Ca 0.10 -2.94 -0.05 0.00 0.12 0.00 0.00 56.93 54.17 1hjd s PHE 60 Cb 0.10 -3.15 -0.04 0.00 -0.57 0.00 0.00 43.02 39.36 1hjd s PHE 60 CO 0.24 -0.76 0.14 -1.58 -0.10 0.00 0.00 175.22 173.16 1hjd s TRP 61 N -0.77 3.54 -0.00 0.36 0.52 -0.91 -3.68 118.94 118.00 1hjd s TRP 61 Ca 0.22 0.45 -0.24 0.00 0.02 0.00 0.00 56.10 56.55 1hjd s TRP 61 Cb -0.13 -1.89 -0.05 0.00 -1.15 0.00 0.00 33.47 30.25 1hjd s TRP 61 CO -0.08 0.69 0.73 0.20 0.02 0.00 0.00 176.95 178.51 1hjd s GLY 62 N -1.27 2.72 0.00 0.98 0.00 0.32 0.79 107.32 110.87 1hjd s GLY 62 Ca 0.18 0.21 0.00 0.00 0.00 0.00 0.00 44.72 45.12 1hjd s GLY 62 CO 0.08 1.11 0.00 0.61 0.00 0.00 0.00 173.10 174.90 1hjd n GLY 63 N 2.67 2.24 3.52 0.20 0.00 0.18 -1.47 105.19 112.53 1hjd n GLY 63 Ca -0.02 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.71 -0.81 0.51 1.61 1.04 0.23 0.47 113.70 116.04 1hjd s SER 64 Ca 0.00 1.32 -0.19 0.00 0.48 0.00 0.00 55.95 57.56 1hjd s SER 64 Cb 0.00 1.24 -0.07 0.00 0.10 0.00 0.00 66.02 67.29 1hjd s SER 64 CO 0.00 -0.22 1.05 0.68 0.98 0.00 0.00 173.24 175.72 1hjd s VAL 65 N 1.65 3.74 -0.17 5.02 -7.23 -1.26 0.14 120.40 122.29 1hjd s VAL 65 Ca -0.09 1.04 -0.33 0.00 -1.81 0.00 0.00 61.98 60.79 1hjd s VAL 65 Cb -0.07 -3.43 -0.10 0.00 0.56 0.00 0.00 36.38 33.35 1hjd s VAL 65 CO -0.18 -0.28 2.04 0.00 -0.31 0.00 0.00 175.10 176.38 1hjd n GLN 66 N -1.18 1.92 -3.24 4.82 10.64 0.19 -4.80 117.38 125.73 1hjd n GLN 66 Ca 0.09 0.64 -0.03 0.00 -1.83 0.00 0.00 57.00 55.87 1hjd n GLN 66 Cb 0.52 -2.77 -0.03 0.00 -0.86 0.00 0.00 30.24 27.10 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 5.89 -0.92 -0.17 2.61 0.00 -1.26 -4.91 107.32 108.55 1hjd s GLY 67 Ca 0.98 0.24 -0.05 0.00 0.00 0.00 0.00 44.72 45.90 1hjd s GLY 67 CO 0.47 3.40 0.32 0.99 0.00 0.00 0.00 173.10 178.28 1hjd s ASP 68 N 2.18 0.22 0.03 1.64 1.11 -1.26 -4.61 116.67 115.98 1hjd s ASP 68 Ca 0.13 0.61 -0.28 0.00 0.18 0.00 0.00 52.55 53.19 1hjd s ASP 68 Cb -0.09 0.94 0.10 0.00 1.07 0.00 0.00 42.92 44.94 1hjd s ASP 68 CO -0.16 -0.25 1.07 -0.47 1.18 0.00 0.00 175.17 176.54 1hjd s TYR 69 N 2.49 -0.14 -0.42 4.23 5.04 -1.26 -5.03 117.35 122.26 1hjd s TYR 69 Ca 0.02 -0.04 0.04 0.00 -2.44 0.00 0.00 57.07 54.65 1hjd s TYR 69 Cb -0.13 0.58 0.62 0.00 0.35 0.00 0.00 41.96 43.38 1hjd s TYR 69 CO -0.11 -0.54 1.86 0.66 -1.34 0.00 0.00 175.55 176.08 1hjd n TYR 70 N -0.39 2.86 -3.22 4.97 4.02 -1.26 -4.50 117.16 119.64 1hjd n TYR 70 Ca -0.06 -1.78 -0.02 0.00 -0.01 0.00 0.00 57.90 56.02 1hjd n TYR 70 Cb 0.61 -0.91 -0.02 0.00 -0.02 0.00 0.00 39.34 39.00 1hjd n TYR 70 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1hjd s GLY 71 N -1.15 -1.00 -0.05 2.72 0.00 -1.26 -4.96 107.32 101.62 1hjd s GLY 71 Ca 0.53 0.40 -0.00 0.00 0.00 0.00 0.00 44.72 45.65 1hjd s GLY 71 CO 0.10 3.46 0.05 1.22 0.00 0.00 0.00 173.10 177.92 1hjd n ASP 72 N 4.96 -2.13 -4.84 1.64 8.00 -1.26 -5.05 116.55 117.86 1hjd n ASP 72 Ca 0.07 -0.03 -0.32 0.00 0.71 0.00 0.00 54.79 55.21 1hjd n ASP 72 Cb 0.53 -0.72 -0.04 0.00 -0.02 0.00 0.00 41.12 40.87 1hjd n ASP 72 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1hjd s LEU 73 N -2.74 3.68 0.00 0.64 0.20 -1.26 -4.97 118.68 114.23 1hjd s LEU 73 Ca 0.01 1.56 0.00 0.00 0.69 0.00 0.00 54.13 56.40 1hjd s LEU 73 Cb -0.00 -4.49 0.00 0.00 -0.43 0.00 0.00 46.19 41.27 1hjd s LEU 73 CO 0.04 -0.55 0.00 0.00 -0.29 0.00 0.00 176.35 175.55 1hjd n ALA 74 N -1.44 0.00 -2.69 5.97 0.00 -1.26 -5.12 120.51 115.97 1hjd n ALA 74 Ca 0.06 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.07 1hjd n ALA 74 Cb 0.54 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.91 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 3.49 -0.40 0.00 0.00 -1.26 -4.98 121.76 118.61 1hjd s ALA 75 Ca 0.00 -1.85 0.02 0.00 0.00 0.00 0.00 51.96 50.14 1hjd s ALA 75 Cb 0.00 -3.08 0.12 0.00 0.00 0.00 0.00 23.12 20.16 1hjd s ALA 75 CO 0.00 -1.69 0.16 1.03 0.00 0.00 0.00 175.76 175.26 1hjd s ARG 76 N 1.92 1.33 0.38 0.00 1.81 -1.26 -5.11 118.95 118.02 1hjd s ARG 76 Ca 0.08 -1.87 -0.28 0.00 -1.72 0.00 0.00 55.73 51.94 1hjd s ARG 76 Cb -0.21 -2.66 -0.11 0.00 -0.45 0.00 0.00 34.95 31.52 1hjd s ARG 76 CO 0.10 -1.05 1.50 -0.48 -0.68 0.00 0.00 175.30 174.68 1hjd s LEU 77 N 0.67 4.31 0.32 2.53 0.05 -1.26 -4.82 118.68 120.48 1hjd s LEU 77 Ca 0.14 3.07 0.05 0.00 0.05 0.00 0.00 54.13 57.45 1hjd s LEU 77 Cb -0.22 -3.67 -0.03 0.00 -2.05 0.00 0.00 46.19 40.22 1hjd s LEU 77 CO -0.08 -0.89 0.23 -0.83 -0.55 0.00 0.00 176.35 174.22 1hjd s GLY 78 N -0.12 2.21 -0.18 -3.48 0.00 0.18 -4.93 107.32 101.00 1hjd s GLY 78 Ca 0.53 -1.88 -0.06 0.00 0.00 0.00 0.00 44.72 43.30 1hjd s GLY 78 CO 0.64 -1.52 0.03 -0.19 0.00 0.00 0.00 173.10 172.06 1hjd s TYR 79 N -3.54 3.14 0.05 1.90 1.51 -1.26 0.49 117.35 119.64 1hjd s TYR 79 Ca 0.38 -0.14 -0.26 0.00 -1.01 0.00 0.00 57.07 56.04 1hjd s TYR 79 Cb 0.03 -2.06 0.07 0.00 -0.11 0.00 0.00 41.96 39.89 1hjd s TYR 79 CO 0.23 0.01 0.61 -0.59 -1.11 0.00 0.00 175.55 174.70 1hjd s PHE 80 N 0.56 -0.56 -0.41 2.71 -0.12 0.24 -4.81 117.98 115.60 1hjd s PHE 80 Ca 0.01 0.69 -0.27 0.00 -0.05 0.00 0.00 56.93 57.30 1hjd s PHE 80 Cb -0.13 0.45 -0.07 0.00 -0.63 0.00 0.00 43.02 42.63 1hjd s PHE 80 CO 0.02 -0.70 2.36 -0.35 -0.05 0.00 0.00 175.22 176.49 1hjd n PRO 81 N 0.33 1.32 0.09 1.99 -0.04 -0.36 -2.15 135.00 136.19 1hjd n PRO 81 Ca -0.18 0.18 0.20 0.00 -0.04 0.00 0.00 63.50 63.67 1hjd n PRO 81 Cb 0.61 -3.30 0.74 0.00 -0.04 0.00 0.00 33.50 31.50 1hjd n PRO 81 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1hjd h SER 82 N 17.71 0.00 -0.85 3.54 0.87 -1.86 -0.65 113.55 132.31 1hjd h SER 82 Ca -0.29 0.00 0.25 0.00 -1.23 0.00 0.00 61.79 60.51 1hjd h SER 82 Cb 1.26 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.19 1hjd h SER 82 CO 1.09 0.00 0.71 -1.28 -0.53 0.00 0.00 176.83 176.83 1hjd h SER 83 N 0.00 0.00 0.52 6.23 0.87 -1.92 0.71 113.55 119.96 1hjd h SER 83 Ca 0.20 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.64 1hjd h SER 83 Cb 1.12 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.07 1hjd h SER 83 CO -0.00 0.00 -0.55 -0.29 -0.53 0.00 0.00 176.83 175.46 1hjd h ILE 84 N 0.00 1.39 -2.80 2.23 6.09 -1.50 -3.44 117.51 119.49 1hjd h ILE 84 Ca 0.41 -1.89 -0.59 0.00 -1.37 0.00 0.00 64.86 61.42 1hjd h ILE 84 Cb 1.83 2.00 -0.08 0.00 0.47 0.00 0.00 36.82 41.04 1hjd h ILE 84 CO -0.00 0.54 -0.58 0.68 -3.07 0.00 0.00 178.15 175.71 1hjd s VAL 85 N -3.78 4.38 -0.24 2.19 -7.23 0.25 0.40 120.40 116.37 1hjd s VAL 85 Ca -0.02 -1.09 -0.03 0.00 -1.81 0.00 0.00 61.98 59.03 1hjd s VAL 85 Cb 0.13 -3.22 0.01 0.00 0.56 0.00 0.00 36.38 33.86 1hjd s VAL 85 CO 0.76 -0.08 -0.03 -0.60 -0.31 0.00 0.00 175.10 174.84 1hjd s ARG 86 N -2.98 3.13 0.24 4.82 3.52 0.35 -4.80 118.95 123.24 1hjd s ARG 86 Ca 0.30 -0.79 -0.30 0.00 -0.13 0.00 0.00 55.73 54.82 1hjd s ARG 86 Cb -0.10 -3.05 -0.09 0.00 -1.56 0.00 0.00 34.95 30.15 1hjd s ARG 86 CO 0.22 -0.31 1.24 -1.21 -0.81 0.00 0.00 175.30 174.44 1hjd s GLU 87 N 1.43 4.45 0.00 5.12 2.02 -1.26 -0.92 118.70 129.54 1hjd s GLU 87 Ca 0.03 2.00 0.00 0.00 0.02 0.00 0.00 54.97 57.03 1hjd s GLU 87 Cb -0.15 -3.17 0.00 0.00 0.10 0.00 0.00 34.13 30.90 1hjd s GLU 87 CO -0.03 -0.11 0.00 -3.47 0.02 0.00 0.00 175.26 171.67 1hjd n ASP 88 N 1.90 0.94 -4.23 -0.19 2.03 0.01 -4.94 116.55 112.07 1hjd n ASP 88 Ca 0.03 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.92 1hjd n ASP 88 Cb 0.43 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.79 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 -1.74 3.54 0.32 -0.67 2.00 -1.17 -5.00 119.66 116.95 1hjd s GLN 89 Ca 0.00 -2.96 -0.16 0.00 -2.00 0.00 0.00 55.36 50.24 1hjd s GLN 89 Cb 0.00 -4.22 -0.09 0.00 0.80 0.00 0.00 33.01 29.49 1hjd s GLN 89 CO 0.00 -1.25 0.76 0.95 -0.50 0.00 0.00 175.29 175.25 1hjd s THR 90 N -0.78 4.64 0.00 -0.34 -4.23 -1.26 -0.87 115.64 112.79 1hjd s THR 90 Ca 0.25 1.04 0.02 0.00 -1.18 0.00 0.00 61.69 61.82 1hjd s THR 90 Cb -0.11 -3.63 0.04 0.00 1.34 0.00 0.00 72.50 70.14 1hjd s THR 90 CO -0.09 -0.16 0.90 -0.11 -0.54 0.00 0.00 174.62 174.62 1hjd n LEU 91 N -0.29 -0.55 -4.51 4.79 0.00 -1.09 -4.92 117.00 110.42 1hjd n LEU 91 Ca 0.03 -1.73 -0.45 0.00 0.00 0.00 0.00 56.01 53.86 1hjd n LEU 91 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.89 1hjd n LEU 91 CO 0.41 1.25 1.89 1.17 0.00 0.00 0.00 177.39 182.11 1hjd n LYS 92 N 0.05 1.25 0.07 1.96 4.81 0.35 -4.76 118.16 121.89 1hjd n LYS 92 Ca -0.17 0.28 -0.02 0.00 -0.87 0.00 0.00 58.31 57.53 1hjd n LYS 92 Cb 0.69 -2.82 -0.06 0.00 0.02 0.00 0.00 35.03 32.87 1hjd n LYS 92 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1hjd h PRO 93 N 14.61 0.00 -4.02 1.64 0.13 -1.80 -3.48 132.00 139.08 1hjd h PRO 93 Ca -0.29 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.73 1hjd h PRO 93 Cb 1.29 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.28 1hjd h PRO 93 CO 1.06 0.57 -0.46 0.20 -0.23 0.00 0.00 178.00 179.14 1hjd s GLY 94 N -4.68 0.44 -0.36 1.56 0.00 -1.26 -4.81 107.32 98.21 1hjd s GLY 94 Ca 0.00 -0.96 0.13 0.00 0.00 0.00 0.00 44.72 43.90 1hjd s GLY 94 CO 0.79 -1.01 1.20 0.58 0.00 0.00 0.00 173.10 174.66 1hjd n LYS 95 N -0.08 1.21 -3.05 2.90 -0.00 -1.03 -3.79 118.16 114.32 1hjd n LYS 95 Ca -0.11 -2.43 -0.39 0.00 -0.00 0.00 0.00 58.31 55.38 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 -1.30 4.61 0.31 0.58 1.01 0.49 -4.68 120.40 121.41 1hjd s VAL 96 Ca 0.23 1.56 -0.28 0.00 0.00 0.00 0.00 61.98 63.49 1hjd s VAL 96 Cb 0.42 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 32.64 1hjd s VAL 96 CO -0.04 0.46 1.06 -0.62 0.00 0.00 0.00 175.10 175.96 1hjd s ASP 97 N -0.64 7.19 -0.14 3.32 2.15 -1.26 0.13 116.67 127.41 1hjd s ASP 97 Ca 0.35 2.16 -0.03 0.00 0.43 0.00 0.00 52.55 55.46 1hjd s ASP 97 Cb -0.21 -2.61 0.05 0.00 -0.30 0.00 0.00 42.92 39.84 1hjd s ASP 97 CO 0.23 -0.19 0.04 -0.69 -0.17 0.00 0.00 175.17 174.39 1hjd s VAL 98 N -1.30 0.31 -0.71 1.11 1.01 0.48 -4.87 120.40 116.42 1hjd s VAL 98 Ca 0.47 -0.21 -0.27 0.00 0.00 0.00 0.00 61.98 61.97 1hjd s VAL 98 Cb -0.28 -0.73 0.03 0.00 0.00 0.00 0.00 36.38 35.40 1hjd s VAL 98 CO 0.36 -0.07 1.25 -1.59 0.00 0.00 0.00 175.10 175.05 1hjd s LYS 99 N 1.97 3.24 1.01 2.72 -2.85 -1.26 -1.00 119.74 123.57 1hjd s LYS 99 Ca 0.02 -0.18 -0.17 0.00 -1.00 0.00 0.00 55.97 54.64 1hjd s LYS 99 Cb -0.15 -4.15 0.23 0.00 -2.06 0.00 0.00 37.83 31.69 1hjd s LYS 99 CO -0.07 -2.05 1.33 -0.08 0.10 0.00 0.00 175.35 174.58 1hjd s THR 100 N 5.51 1.96 -0.67 3.79 -1.32 -1.20 -4.99 115.64 118.72 1hjd s THR 100 Ca 0.36 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.72 1hjd s THR 100 Cb -0.08 -2.96 0.17 0.00 -1.51 0.00 0.00 72.50 68.12 1hjd s THR 100 CO 0.17 0.00 0.58 -1.81 -2.21 0.00 0.00 174.62 171.35 1hjd s ASP 101 N -4.86 6.20 0.67 8.08 1.01 -1.26 -4.88 116.67 121.63 1hjd s ASP 101 Ca 0.76 -2.40 0.00 0.00 0.71 0.00 0.00 52.55 51.62 1hjd s ASP 101 Cb -0.03 -2.11 0.00 0.00 1.01 0.00 0.00 42.92 41.79 1hjd s ASP 101 CO 0.54 -0.62 0.00 0.29 0.21 0.00 0.00 175.17 175.59 1hjd n LYS 102 N 4.32 0.00 0.18 8.23 4.01 -1.26 -2.94 118.16 130.69 1hjd n LYS 102 Ca 0.03 0.00 0.11 0.00 -0.51 0.00 0.00 58.31 57.94 1hjd n LYS 102 Cb 0.43 0.00 0.57 0.00 -0.51 0.00 0.00 35.03 35.52 1hjd n LYS 102 CO 0.00 0.00 0.00 -1.49 -1.11 0.00 0.00 177.40 174.80 1hjd h TRP 103 N 0.00 0.00 0.00 2.13 4.06 -2.01 -3.45 115.95 116.69 1hjd h TRP 103 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1hjd h TRP 103 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1hjd h TRP 103 CO 0.00 0.00 0.00 -3.47 -3.56 0.00 0.00 178.44 171.41 1hjd n ASP 104 N -2.26 -1.60 0.00 -3.49 2.03 -1.15 -4.89 116.55 105.19 1hjd n ASP 104 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1hjd n ASP 104 Cb 0.11 -1.08 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 1hjd n ASP 104 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1hjd n PHE 105 N -2.27 0.00 -3.40 -0.67 7.35 -1.26 -5.10 117.46 112.11 1hjd n PHE 105 Ca 0.00 0.00 -0.37 0.00 -0.76 0.00 0.00 57.45 56.32 1hjd n PHE 105 Cb 0.07 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 39.83 1hjd n PHE 105 CO 0.00 0.00 0.00 -0.47 -0.76 0.00 0.00 176.76 175.53 1hjd s TYR 106 N 0.00 3.48 -0.61 -5.13 6.14 -1.26 -4.99 117.35 114.98 1hjd s TYR 106 Ca 0.00 0.75 -0.26 0.00 0.64 0.00 0.00 57.07 58.20 1hjd s TYR 106 Cb 0.00 -2.47 -0.10 0.00 0.42 0.00 0.00 41.96 39.81 1hjd s TYR 106 CO 0.00 0.17 2.42 0.00 0.64 0.00 0.00 175.55 178.78