#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jh3 s LEU 2 N 0.00 4.35 0.00 0.00 1.43 -1.26 -4.96 118.68 118.23 1jh3 s LEU 2 Ca 0.00 2.31 0.02 0.00 -1.03 0.00 0.00 54.13 55.43 1jh3 s LEU 2 Cb 0.00 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.65 1jh3 s LEU 2 CO 0.00 -0.77 0.06 0.33 0.23 0.00 0.00 176.35 176.20 1jh3 n PHE 3 N 5.09 -0.15 -4.20 0.29 7.35 -1.26 -5.15 117.46 119.42 1jh3 n PHE 3 Ca 0.14 -0.67 -0.12 0.00 -0.76 0.00 0.00 57.45 56.04 1jh3 n PHE 3 Cb 0.42 0.06 -0.04 0.00 0.35 0.00 0.00 39.48 40.27 1jh3 n PHE 3 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1jh3 n SER 4 N -2.56 0.26 0.00 -2.13 2.88 -1.26 -4.81 113.62 106.00 1jh3 n SER 4 Ca 0.01 -2.18 0.00 0.00 -1.33 0.00 0.00 58.87 55.37 1jh3 n SER 4 Cb 0.15 0.76 0.00 0.00 -0.75 0.00 0.00 64.21 64.36 1jh3 n SER 4 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jh3 n GLY 5 N 0.07 1.87 3.86 0.46 0.00 -1.26 -4.84 105.19 105.36 1jh3 n GLY 5 Ca 0.01 0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1jh3 n GLY 5 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jh3 s ASP 6 N -0.88 3.68 0.00 1.61 1.01 -1.26 -4.90 116.67 115.93 1jh3 s ASP 6 Ca 0.00 0.67 -0.00 0.00 0.71 0.00 0.00 52.55 53.93 1jh3 s ASP 6 Cb 0.00 -1.04 -0.00 0.00 1.01 0.00 0.00 42.92 42.89 1jh3 s ASP 6 CO 0.00 -2.42 0.26 2.30 0.21 0.00 0.00 175.17 175.53 1jh3 n ILE 7 N -3.63 0.25 1.28 0.77 -6.64 -1.26 -4.39 119.36 105.74 1jh3 n ILE 7 Ca 0.10 -0.07 0.05 0.00 -1.77 0.00 0.00 62.75 61.06 1jh3 n ILE 7 Cb 0.60 -1.07 0.27 0.00 -1.44 0.00 0.00 39.64 38.00 1jh3 n ILE 7 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1jh3 n ALA 8 N 1.96 2.20 0.18 -1.28 0.00 -1.26 -1.01 120.51 121.30 1jh3 n ALA 8 Ca 0.00 -0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.46 1jh3 n ALA 8 Cb 0.06 -1.15 0.15 0.00 0.00 0.00 0.00 19.45 18.52 1jh3 n ALA 8 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1jh3 h ASN 9 N 0.00 0.00 -2.89 0.00 2.35 -1.87 -3.39 115.58 109.78 1jh3 h ASN 9 Ca 0.00 0.00 -0.71 0.00 -0.55 0.00 0.00 56.30 55.04 1jh3 h ASN 9 Cb 0.00 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 38.17 1jh3 h ASN 9 CO 0.00 0.27 0.41 -0.76 -1.65 0.00 0.00 177.43 175.70 1jh3 s LEU 10 N -6.40 5.45 1.00 1.61 2.01 -0.18 -5.00 118.68 117.17 1jh3 s LEU 10 Ca 0.05 -1.87 -0.17 0.00 0.01 0.00 0.00 54.13 52.15 1jh3 s LEU 10 Cb 0.07 -2.33 0.21 0.00 0.01 0.00 0.00 46.19 44.15 1jh3 s LEU 10 CO 0.70 -1.02 1.29 -0.89 1.01 0.00 0.00 176.35 177.44 1jh3 s THR 11 N 2.31 1.94 -0.00 5.49 2.01 -1.26 -4.82 115.64 121.31 1jh3 s THR 11 Ca 0.21 0.00 -0.23 0.00 0.31 0.00 0.00 61.69 61.98 1jh3 s THR 11 Cb -0.14 -2.92 -0.14 0.00 0.01 0.00 0.00 72.50 69.31 1jh3 s THR 11 CO -0.02 0.00 1.02 0.00 -0.69 0.00 0.00 174.62 174.93 1jh3 h ALA 12 N -1.79 -0.70 0.00 7.40 0.00 -1.98 0.51 119.26 122.69 1jh3 h ALA 12 Ca -0.44 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 1jh3 h ALA 12 Cb 1.24 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 1jh3 h ALA 12 CO 0.37 -0.70 -0.16 0.00 0.00 0.00 0.00 179.25 178.76 1jh3 h ALA 13 N -0.94 1.25 -0.13 0.00 0.00 -1.98 0.10 119.26 117.57 1jh3 h ALA 13 Ca -0.07 -0.14 -0.22 0.00 0.00 0.00 0.00 54.91 54.47 1jh3 h ALA 13 Cb 0.60 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1jh3 h ALA 13 CO 0.12 0.20 -0.80 1.49 0.00 0.00 0.00 179.25 180.25 1jh3 h GLU 14 N 0.00 0.74 0.10 0.00 4.57 -1.93 -1.59 114.58 116.47 1jh3 h GLU 14 Ca -0.00 -0.62 -0.01 0.00 -1.18 0.00 0.00 59.36 57.55 1jh3 h GLU 14 Cb 0.43 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1jh3 h GLU 14 CO 0.02 1.23 -0.05 0.82 -1.18 0.00 0.00 179.01 179.85 1jh3 h ILE 15 N 0.49 1.11 -0.21 2.32 2.04 -0.30 0.17 117.51 123.14 1jh3 h ILE 15 Ca -0.06 -1.06 0.01 0.00 1.00 0.00 0.00 64.86 64.75 1jh3 h ILE 15 Cb 1.43 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 39.26 1jh3 h ILE 15 CO 0.16 0.25 0.11 -0.33 0.00 0.00 0.00 178.15 178.34 1jh3 h GLU 16 N -0.66 0.23 -0.14 2.37 5.08 -0.86 0.16 114.58 120.76 1jh3 h GLU 16 Ca -0.01 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.16 1jh3 h GLU 16 Cb 0.51 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1jh3 h GLU 16 CO 0.02 0.15 -0.63 0.37 -1.00 0.00 0.00 179.01 177.93 1jh3 h GLN 17 N 0.24 0.51 -0.83 2.33 5.75 -1.39 -1.07 115.11 120.64 1jh3 h GLN 17 Ca 0.08 -0.36 0.01 0.00 -0.15 0.00 0.00 58.65 58.24 1jh3 h GLN 17 Cb 0.00 0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.57 1jh3 h GLN 17 CO -0.04 0.97 0.55 0.78 -2.65 0.00 0.00 178.83 178.44 1jh3 h GLY 18 N 1.11 1.17 -0.38 2.39 0.00 -0.16 -2.91 103.07 104.28 1jh3 h GLY 18 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1jh3 h GLY 18 CO 0.11 0.41 0.00 0.69 0.00 0.00 0.00 176.54 177.76 1jh3 n PHE 19 N -4.42 0.17 0.19 5.60 3.01 0.00 -4.65 117.46 117.37 1jh3 n PHE 19 Ca 0.10 -0.66 0.11 0.00 1.01 0.00 0.00 57.45 58.01 1jh3 n PHE 19 Cb 0.04 -0.10 0.58 0.00 -0.01 0.00 0.00 39.48 39.99 1jh3 n PHE 19 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 1jh3 h LYS 20 N 0.54 0.00 0.00 -1.08 5.09 -0.98 -2.30 116.57 117.84 1jh3 h LYS 20 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1jh3 h LYS 20 Cb 0.75 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.08 1jh3 h LYS 20 CO 0.02 0.00 0.00 -3.47 -2.09 0.00 0.00 179.45 173.91 1jh3 n ASP 21 N -2.29 0.20 -4.17 7.07 2.03 -1.26 -4.73 116.55 113.40 1jh3 n ASP 21 Ca -0.01 0.52 -0.19 0.00 0.52 0.00 0.00 54.79 55.63 1jh3 n ASP 21 Cb 0.16 -0.58 -0.10 0.00 -0.72 0.00 0.00 41.12 39.88 1jh3 n ASP 21 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1jh3 s VAL 22 N -3.04 0.54 0.46 5.18 0.11 -0.87 -5.09 120.40 117.69 1jh3 s VAL 22 Ca 0.12 -2.00 -0.08 0.00 -2.93 0.00 0.00 61.98 57.09 1jh3 s VAL 22 Cb 0.16 -2.57 0.11 0.00 -1.53 0.00 0.00 36.38 32.55 1jh3 s VAL 22 CO 0.50 0.00 0.54 -0.81 -3.33 0.00 0.00 175.10 172.00 1jh3 n PRO 23 N -0.59 -0.99 -4.36 1.54 -0.04 -1.26 -4.96 135.00 124.33 1jh3 n PRO 23 Ca -0.01 -0.85 -0.20 0.00 -0.04 0.00 0.00 63.50 62.41 1jh3 n PRO 23 Cb 0.66 -0.63 -0.09 0.00 -0.04 0.00 0.00 33.50 33.40 1jh3 n PRO 23 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1jh3 s SER 24 N -3.00 1.74 0.09 3.54 1.04 -1.26 -3.71 113.70 112.14 1jh3 s SER 24 Ca 0.32 -1.60 -0.00 0.00 0.48 0.00 0.00 55.95 55.15 1jh3 s SER 24 Cb -0.02 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 1jh3 s SER 24 CO 0.23 -0.91 -0.02 0.12 0.98 0.00 0.00 173.24 173.64 1jh3 s PHE 25 N -3.53 0.73 -0.00 5.02 5.36 0.09 -4.95 117.98 120.71 1jh3 s PHE 25 Ca 0.34 -1.06 0.00 0.00 -0.96 0.00 0.00 56.93 55.26 1jh3 s PHE 25 Cb 0.04 -0.46 -0.00 0.00 -0.34 0.00 0.00 43.02 42.26 1jh3 s PHE 25 CO 0.18 -0.33 -0.01 0.08 -1.46 0.00 0.00 175.22 173.67 1jh3 s VAL 26 N -3.85 0.12 0.41 3.12 1.01 -1.26 -0.40 120.40 119.56 1jh3 s VAL 26 Ca 0.13 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.10 1jh3 s VAL 26 Cb 0.07 -0.11 -0.06 0.00 0.00 0.00 0.00 36.38 36.28 1jh3 s VAL 26 CO -0.05 0.04 0.03 -1.38 0.00 0.00 0.00 175.10 173.73 1jh3 s HIS 27 N 0.00 2.21 0.00 5.22 -3.43 -0.64 -4.96 115.29 113.69 1jh3 s HIS 27 Ca 0.00 -0.84 0.00 0.00 -0.80 0.00 0.00 55.06 53.42 1jh3 s HIS 27 Cb -0.01 -1.58 0.00 0.00 -1.43 0.00 0.00 32.58 29.56 1jh3 s HIS 27 CO -0.00 0.25 1.26 0.39 -2.00 0.00 0.00 174.74 174.63 1jh3 n GLU 28 N -0.95 0.96 -0.08 -0.38 1.02 -1.26 -1.04 120.64 118.91 1jh3 n GLU 28 Ca -0.07 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.08 1jh3 n GLU 28 Cb 0.67 -1.02 -0.00 0.00 -0.02 0.00 0.00 31.44 31.06 1jh3 n GLU 28 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jh3 n GLY 29 N 0.83 -1.39 0.10 0.62 0.00 -1.26 -4.91 105.19 99.18 1jh3 n GLY 29 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1jh3 n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jh3 n GLY 30 N -0.27 -2.97 3.77 -0.02 0.00 -1.26 -4.95 105.19 99.48 1jh3 n GLY 30 Ca 0.00 -1.21 -0.36 0.00 0.00 0.00 0.00 46.02 44.44 1jh3 n GLY 30 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1jh3 s ASP 31 N -2.68 5.76 -0.23 1.61 -4.77 -1.26 -4.91 116.67 110.19 1jh3 s ASP 31 Ca 0.00 2.33 -0.16 0.00 -3.30 0.00 0.00 52.55 51.42 1jh3 s ASP 31 Cb 0.00 -2.60 0.07 0.00 -1.09 0.00 0.00 42.92 39.30 1jh3 s ASP 31 CO 0.00 -1.20 0.59 -0.69 0.70 0.00 0.00 175.17 174.57 1jh3 s VAL 32 N -1.60 -0.01 0.57 2.11 1.01 -1.26 -4.97 120.40 116.26 1jh3 s VAL 32 Ca 0.70 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 62.52 1jh3 s VAL 32 Cb -0.29 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 1jh3 s VAL 32 CO 0.33 0.01 1.10 -2.16 0.00 0.00 0.00 175.10 174.38 1jh3 s PRO 33 N 1.09 3.29 0.53 2.72 0.04 -1.26 -3.53 135.00 137.87 1jh3 s PRO 33 Ca -0.06 1.45 0.30 0.00 0.04 0.00 0.00 61.00 62.72 1jh3 s PRO 33 Cb -0.06 -2.01 1.44 0.00 0.04 0.00 0.00 34.50 33.91 1jh3 s PRO 33 CO -0.10 -0.87 1.90 1.37 0.04 0.00 0.00 177.00 179.34 1jh3 h LEU 34 N 0.85 0.03 -0.14 -3.56 -0.00 -1.71 0.44 115.31 111.23 1jh3 h LEU 34 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 1jh3 h LEU 34 Cb 1.24 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.90 1jh3 h LEU 34 CO 0.57 0.01 0.00 0.55 -0.00 0.00 0.00 178.44 179.57 1jh3 n VAL 35 N -4.30 0.65 -0.10 0.15 3.14 -1.26 -1.36 118.33 115.25 1jh3 n VAL 35 Ca 0.17 -0.19 -0.23 0.00 -2.96 0.00 0.00 64.34 61.13 1jh3 n VAL 35 Cb 0.89 -0.70 -0.12 0.00 -1.06 0.00 0.00 33.84 32.85 1jh3 n VAL 35 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1jh3 n GLU 36 N -2.28 0.59 0.21 1.45 -0.58 0.03 -4.18 120.64 115.88 1jh3 n GLU 36 Ca 0.05 0.51 0.09 0.00 -0.42 0.00 0.00 57.16 57.38 1jh3 n GLU 36 Cb 0.39 -1.71 0.39 0.00 -0.57 0.00 0.00 31.44 29.95 1jh3 n GLU 36 CO 0.00 0.00 0.00 1.37 -0.48 0.00 0.00 177.13 178.02 1jh3 h LEU 37 N -0.90 0.00 -0.30 -4.62 8.10 -1.18 0.17 115.31 116.58 1jh3 h LEU 37 Ca -0.41 0.00 -0.20 0.00 0.11 0.00 0.00 57.88 57.39 1jh3 h LEU 37 Cb 1.42 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.63 1jh3 h LEU 37 CO -0.21 0.25 -0.86 0.17 -4.11 0.00 0.00 178.44 173.68 1jh3 h LEU 38 N 0.00 0.31 -0.01 0.17 -0.00 -1.45 0.19 115.31 114.52 1jh3 h LEU 38 Ca -0.00 -0.25 -0.08 0.00 -0.00 0.00 0.00 57.88 57.55 1jh3 h LEU 38 Cb 0.84 -0.10 0.01 0.00 -0.00 0.00 0.00 40.66 41.41 1jh3 h LEU 38 CO 0.03 1.03 -0.31 1.62 -0.00 0.00 0.00 178.44 180.82 1jh3 h VAL 39 N 0.14 1.51 -0.59 0.15 3.04 -1.37 0.33 116.25 119.46 1jh3 h VAL 39 Ca -0.05 -1.92 -0.06 0.00 -1.01 0.00 0.00 66.70 63.66 1jh3 h VAL 39 Cb 1.48 2.66 -0.03 0.00 -2.01 0.00 0.00 31.29 33.39 1jh3 h VAL 39 CO 0.14 0.53 0.12 -1.28 -1.01 0.00 0.00 177.57 176.07 1jh3 h SER 40 N -0.39 0.88 1.48 3.17 0.87 -0.80 -2.46 113.55 116.31 1jh3 h SER 40 Ca -0.04 -0.18 -0.08 0.00 -1.23 0.00 0.00 61.79 60.26 1jh3 h SER 40 Cb 1.04 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.75 1jh3 h SER 40 CO 0.06 0.87 -0.38 0.00 -0.53 0.00 0.00 176.83 176.86 1jh3 h ALA 41 N 1.23 0.78 0.00 6.23 0.00 -0.59 -3.48 119.26 123.44 1jh3 h ALA 41 Ca 0.19 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1jh3 h ALA 41 Cb 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1jh3 h ALA 41 CO 0.00 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.14 1jh3 n GLY 42 N 1.03 1.27 0.17 0.00 0.00 0.30 -4.85 105.19 103.11 1jh3 n GLY 42 Ca 0.02 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 1jh3 n GLY 42 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1jh3 h ILE 43 N 0.00 1.29 -2.68 -0.61 5.03 -0.72 -3.41 117.51 116.40 1jh3 h ILE 43 Ca 0.00 -2.53 -0.30 0.00 -0.12 0.00 0.00 64.86 61.91 1jh3 h ILE 43 Cb 0.01 2.77 -0.35 0.00 -3.03 0.00 0.00 36.82 36.22 1jh3 h ILE 43 CO 0.00 0.77 -0.61 -0.44 -0.68 0.00 0.00 178.15 177.19 1jh3 s SER 44 N -7.45 1.08 0.16 1.72 0.01 -1.20 -5.04 113.70 102.97 1jh3 s SER 44 Ca -0.09 0.02 0.25 0.00 1.31 0.00 0.00 55.95 57.44 1jh3 s SER 44 Cb 0.05 0.42 0.49 0.00 0.21 0.00 0.00 66.02 67.20 1jh3 s SER 44 CO 0.93 -0.30 1.47 1.55 0.41 0.00 0.00 173.24 177.31 1jh3 h PRO 45 N 8.32 0.00 -6.23 12.44 0.13 -1.84 -3.35 132.00 141.46 1jh3 h PRO 45 Ca -0.16 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.42 1jh3 h PRO 45 Cb 1.14 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.23 1jh3 h PRO 45 CO 0.23 0.00 0.16 0.45 -0.23 0.00 0.00 178.00 178.61 1jh3 s SER 46 N -4.40 7.16 0.30 1.44 0.15 -1.26 -4.97 113.70 112.12 1jh3 s SER 46 Ca 0.08 1.39 0.02 0.00 0.70 0.00 0.00 55.95 58.13 1jh3 s SER 46 Cb 0.13 -2.46 0.46 0.00 -1.71 0.00 0.00 66.02 62.44 1jh3 s SER 46 CO 0.68 -0.05 1.80 0.11 1.20 0.00 0.00 173.24 176.98 1jh3 h LYS 47 N 6.12 0.62 0.46 5.44 6.56 -1.98 0.31 116.57 134.11 1jh3 h LYS 47 Ca -0.43 -0.16 -0.02 0.00 -1.06 0.00 0.00 60.65 58.98 1jh3 h LYS 47 Cb 1.20 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.79 1jh3 h LYS 47 CO 0.73 0.67 -0.22 -0.09 -2.06 0.00 0.00 179.45 178.48 1jh3 h ARG 48 N 0.58 -0.60 -0.19 3.15 1.12 -1.97 0.48 114.38 116.95 1jh3 h ARG 48 Ca 0.11 0.04 0.03 0.00 -1.11 0.00 0.00 59.98 59.05 1jh3 h ARG 48 Cb 0.44 0.14 -0.03 0.00 -0.01 0.00 0.00 29.97 30.51 1jh3 h ARG 48 CO 0.02 -0.32 0.02 0.37 -3.11 0.00 0.00 179.97 176.94 1jh3 h GLN 49 N -0.79 0.08 -0.34 0.20 -0.00 -1.93 -1.73 115.11 110.60 1jh3 h GLN 49 Ca -0.06 -0.00 0.07 0.00 -0.00 0.00 0.00 58.65 58.66 1jh3 h GLN 49 Cb 0.55 -0.02 -0.08 0.00 0.00 0.00 0.00 27.48 27.94 1jh3 h GLN 49 CO 0.10 0.05 -0.19 0.00 0.00 0.00 0.00 178.83 178.80 1jh3 h ALA 50 N 1.15 0.05 -1.00 3.38 0.00 -0.28 0.50 119.26 123.07 1jh3 h ALA 50 Ca 0.09 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1jh3 h ALA 50 Cb 0.10 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1jh3 h ALA 50 CO -0.13 -0.57 0.66 0.00 0.00 0.00 0.00 179.25 179.20 1jh3 h ARG 51 N -0.14 1.32 0.03 0.00 3.08 -0.56 0.13 114.38 118.24 1jh3 h ARG 51 Ca 0.17 -0.08 -0.22 0.00 0.07 0.00 0.00 59.98 59.93 1jh3 h ARG 51 Cb 0.41 -0.30 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1jh3 h ARG 51 CO -0.43 0.87 -0.99 1.49 -1.07 0.00 0.00 179.97 179.84 1jh3 h GLU 52 N 1.35 0.13 -1.00 0.04 4.81 -0.41 0.19 114.58 119.68 1jh3 h GLU 52 Ca 0.37 -0.18 0.21 0.00 -0.13 0.00 0.00 59.36 59.63 1jh3 h GLU 52 Cb -0.16 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 29.17 1jh3 h GLU 52 CO -0.08 1.01 0.61 -0.44 -0.73 0.00 0.00 179.01 179.38 1jh3 h ASP 53 N 0.05 0.74 0.00 1.04 5.19 0.55 0.95 116.42 124.94 1jh3 h ASP 53 Ca -0.05 0.11 -0.11 0.00 -0.62 0.00 0.00 57.03 56.36 1jh3 h ASP 53 Cb 1.69 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 41.16 1jh3 h ASP 53 CO 0.15 0.21 -0.62 0.40 -3.12 0.00 0.00 179.24 176.26 1jh3 h ILE 54 N 0.69 1.36 0.00 0.35 2.04 -0.50 -3.33 117.51 118.12 1jh3 h ILE 54 Ca 0.60 -2.27 0.00 0.00 1.00 0.00 0.00 64.86 64.19 1jh3 h ILE 54 Cb 1.03 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.93 1jh3 h ILE 54 CO -0.41 0.46 0.00 0.00 0.00 0.00 0.00 178.15 178.21 1jh3 n GLN 55 N -4.52 0.03 -2.93 2.37 6.02 0.62 -4.27 117.38 114.70 1jh3 n GLN 55 Ca -0.21 0.35 -0.40 0.00 -0.01 0.00 0.00 57.00 56.74 1jh3 n GLN 55 Cb 0.58 -1.57 -0.05 0.00 1.02 0.00 0.00 30.24 30.22 1jh3 n GLN 55 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1jh3 s ASN 56 N -3.21 7.36 0.00 1.08 0.02 0.31 -4.88 114.94 115.62 1jh3 s ASN 56 Ca 0.04 1.61 0.00 0.00 -1.02 0.00 0.00 52.86 53.50 1jh3 s ASN 56 Cb 0.07 -2.51 0.00 0.00 0.02 0.00 0.00 41.25 38.83 1jh3 s ASN 56 CO 0.21 0.10 0.45 0.61 0.02 0.00 0.00 177.10 178.49 1jh3 n GLY 57 N 1.96 0.00 0.00 0.66 0.00 -1.26 -1.69 105.19 104.87 1jh3 n GLY 57 Ca -0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.13 1jh3 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jh3 n ALA 58 N -0.95 2.48 -3.54 4.61 0.00 -1.26 -4.41 120.51 117.44 1jh3 n ALA 58 Ca 0.00 -0.15 -0.41 0.00 0.00 0.00 0.00 53.44 52.88 1jh3 n ALA 58 Cb 0.00 -1.47 -0.07 0.00 0.00 0.00 0.00 19.45 17.91 1jh3 n ALA 58 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1jh3 s ILE 59 N -2.41 4.50 -0.89 0.00 -1.16 -0.68 0.13 121.20 120.68 1jh3 s ILE 59 Ca 0.32 -2.53 -0.23 0.00 -0.51 0.00 0.00 60.65 57.70 1jh3 s ILE 59 Cb 0.20 -3.87 0.06 0.00 0.61 0.00 0.00 42.46 39.46 1jh3 s ILE 59 CO 0.41 -0.91 1.28 -0.31 -2.81 0.00 0.00 174.94 172.61 1jh3 s TYR 60 N 0.33 2.61 -0.04 3.50 2.02 -0.22 -1.73 117.35 123.81 1jh3 s TYR 60 Ca 0.15 -0.73 -0.30 0.00 -0.37 0.00 0.00 57.07 55.82 1jh3 s TYR 60 Cb -0.18 -4.55 -0.03 0.00 -0.40 0.00 0.00 41.96 36.81 1jh3 s TYR 60 CO -0.05 -1.84 1.06 0.54 -1.57 0.00 0.00 175.55 173.69 1jh3 s VAL 61 N 4.57 4.60 0.00 0.71 0.11 0.10 0.05 120.40 130.54 1jh3 s VAL 61 Ca 0.38 1.88 0.00 0.00 -2.93 0.00 0.00 61.98 61.30 1jh3 s VAL 61 Cb -0.05 -4.21 0.00 0.00 -1.53 0.00 0.00 36.38 30.59 1jh3 s VAL 61 CO -0.02 0.06 0.00 0.59 -3.33 0.00 0.00 175.10 172.41 1jh3 n ASN 62 N 4.58 0.00 0.00 3.54 3.02 0.66 -0.56 115.26 126.50 1jh3 n ASN 62 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1jh3 n ASN 62 Cb 0.49 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 1jh3 n ASN 62 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jh3 n GLY 63 N 0.00 0.00 3.26 7.41 0.00 -1.25 -4.86 105.19 109.75 1jh3 n GLY 63 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1jh3 n GLY 63 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jh3 s GLU 64 N 0.00 3.02 -0.39 1.61 2.56 0.28 -4.85 118.70 120.93 1jh3 s GLU 64 Ca 0.00 -0.87 -0.27 0.00 0.00 0.00 0.00 54.97 53.83 1jh3 s GLU 64 Cb 0.00 -3.08 -0.04 0.00 2.00 0.00 0.00 34.13 33.01 1jh3 s GLU 64 CO 0.00 -0.36 2.08 0.50 -0.56 0.00 0.00 175.26 176.92 1jh3 s ARG 65 N 1.40 2.84 -0.39 4.30 3.00 -1.26 -0.73 118.95 128.11 1jh3 s ARG 65 Ca 0.02 1.45 0.09 0.00 -1.00 0.00 0.00 55.73 56.29 1jh3 s ARG 65 Cb -0.16 -4.38 0.27 0.00 0.00 0.00 0.00 34.95 30.68 1jh3 s ARG 65 CO -0.03 -2.44 0.57 1.28 0.00 0.00 0.00 175.30 174.69 1jh3 n LEU 66 N 12.55 0.17 -2.90 -0.88 4.77 -0.71 -4.96 117.00 125.04 1jh3 n LEU 66 Ca 0.28 -4.69 -0.31 0.00 -0.03 0.00 0.00 56.01 51.26 1jh3 n LEU 66 Cb 0.49 0.66 -0.07 0.00 -2.33 0.00 0.00 43.42 42.18 1jh3 n LEU 66 CO 0.69 2.11 2.66 0.00 -1.33 0.00 0.00 177.39 181.51 1jh3 n GLN 67 N 1.21 3.24 -3.79 3.23 -0.00 -1.26 -4.71 117.38 115.30 1jh3 n GLN 67 Ca 0.21 -2.02 -0.12 0.00 -0.00 0.00 0.00 57.00 55.07 1jh3 n GLN 67 Cb 0.56 -2.51 -0.09 0.00 -0.00 0.00 0.00 30.24 28.21 1jh3 n GLN 67 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1jh3 s ASP 68 N 1.78 -0.11 0.24 2.61 -1.08 -1.26 -4.51 116.67 114.33 1jh3 s ASP 68 Ca 0.66 -0.06 -0.04 0.00 -0.52 0.00 0.00 52.55 52.59 1jh3 s ASP 68 Cb 0.23 0.29 0.25 0.00 -1.46 0.00 0.00 42.92 42.24 1jh3 s ASP 68 CO -0.06 -0.47 1.73 1.62 0.52 0.00 0.00 175.17 178.51 1jh3 h VAL 69 N 3.81 1.25 0.00 1.11 3.04 -1.89 -2.06 116.25 121.51 1jh3 h VAL 69 Ca -0.30 -1.03 0.00 0.00 -1.01 0.00 0.00 66.70 64.35 1jh3 h VAL 69 Cb 1.18 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 1jh3 h VAL 69 CO 0.42 0.37 0.00 0.61 -1.01 0.00 0.00 177.57 177.96 1jh3 n GLY 70 N -0.60 -1.07 0.08 3.17 0.00 -1.26 -2.86 105.19 102.65 1jh3 n GLY 70 Ca 0.03 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 1jh3 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jh3 h ALA 71 N 2.55 0.08 -3.67 4.61 0.00 -1.73 -3.48 119.26 117.61 1jh3 h ALA 71 Ca 0.00 -0.62 -0.35 0.00 0.00 0.00 0.00 54.91 53.95 1jh3 h ALA 71 Cb 0.28 0.41 -0.31 0.00 0.00 0.00 0.00 17.79 18.17 1jh3 h ALA 71 CO 0.00 0.39 -0.76 0.42 0.00 0.00 0.00 179.25 179.31 1jh3 s ILE 72 N -2.14 0.36 0.00 0.00 1.09 -0.85 -4.89 121.20 114.77 1jh3 s ILE 72 Ca -0.17 -0.10 0.00 0.00 -1.10 0.00 0.00 60.65 59.28 1jh3 s ILE 72 Cb 0.02 -0.37 0.00 0.00 -1.06 0.00 0.00 42.46 41.05 1jh3 s ILE 72 CO 0.35 0.15 0.00 0.18 -0.10 0.00 0.00 174.94 175.52 1jh3 n LEU 73 N 3.56 0.00 0.00 2.97 4.77 -1.26 -3.11 117.00 123.93 1jh3 n LEU 73 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1jh3 n LEU 73 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1jh3 n LEU 73 CO 0.24 0.00 0.00 0.35 -1.33 0.00 0.00 177.39 176.65 1jh3 n THR 74 N -0.46 0.00 -0.13 -5.08 -2.24 -1.23 -4.21 114.28 100.92 1jh3 n THR 74 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1jh3 n THR 74 Cb 0.00 -0.22 -0.01 0.00 -2.10 0.00 0.00 70.33 68.00 1jh3 n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jh3 h ALA 75 N 0.85 0.51 0.00 6.98 0.00 -1.90 -1.70 119.26 124.01 1jh3 h ALA 75 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1jh3 h ALA 75 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1jh3 h ALA 75 CO 0.00 0.08 0.00 1.49 0.00 0.00 0.00 179.25 180.82 1jh3 h GLU 76 N 0.50 0.00 -0.01 0.00 4.22 -1.84 0.16 114.58 117.61 1jh3 h GLU 76 Ca 0.14 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.58 1jh3 h GLU 76 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1jh3 h GLU 76 CO -0.02 0.00 0.00 1.58 -2.18 0.00 0.00 179.01 178.39 1jh3 n HIS 77 N -2.66 0.00 0.07 0.92 -0.00 -0.68 -4.50 115.22 108.38 1jh3 n HIS 77 Ca 0.01 -0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.19 1jh3 n HIS 77 Cb 0.27 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.14 1jh3 n HIS 77 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 1jh3 n ARG 78 N -0.67 0.00 -1.59 1.57 3.00 -0.53 -4.66 116.66 113.77 1jh3 n ARG 78 Ca 0.22 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.95 1jh3 n ARG 78 Cb 0.17 -0.17 0.07 0.00 0.00 0.00 0.00 32.46 32.54 1jh3 n ARG 78 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1jh3 n LEU 79 N -3.20 0.00 -0.03 6.15 4.77 0.45 -4.85 117.00 120.28 1jh3 n LEU 79 Ca 0.00 -1.09 0.23 0.00 -0.03 0.00 0.00 56.01 55.12 1jh3 n LEU 79 Cb 0.00 -0.37 0.72 0.00 -2.33 0.00 0.00 43.42 41.44 1jh3 n LEU 79 CO 0.00 -0.79 1.21 1.05 -1.33 0.00 0.00 177.39 177.53 1jh3 h GLU 80 N 0.00 0.00 0.00 3.23 4.11 -1.85 -3.36 114.58 116.72 1jh3 h GLU 80 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.25 1jh3 h GLU 80 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1jh3 h GLU 80 CO 0.19 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.68 1jh3 n GLY 81 N -1.62 0.26 0.15 1.06 0.00 -1.25 -4.71 105.19 99.08 1jh3 n GLY 81 Ca 0.12 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1jh3 n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jh3 n ARG 82 N 0.00 0.00 -2.21 1.61 1.74 -1.26 -4.81 116.66 111.73 1jh3 n ARG 82 Ca 0.00 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.06 1jh3 n ARG 82 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 1jh3 n ARG 82 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1jh3 n PHE 83 N -1.12 0.04 -3.54 -1.55 3.01 -1.26 -4.32 117.46 108.72 1jh3 n PHE 83 Ca 0.00 -0.22 -0.07 0.00 1.01 0.00 0.00 57.45 58.17 1jh3 n PHE 83 Cb 0.00 -0.01 -0.08 0.00 -0.01 0.00 0.00 39.48 39.38 1jh3 n PHE 83 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1jh3 s THR 84 N -1.47 -0.69 0.21 4.37 2.01 0.43 -4.29 115.64 116.20 1jh3 s THR 84 Ca 0.01 0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.79 1jh3 s THR 84 Cb 0.00 -0.76 -0.08 0.00 0.01 0.00 0.00 72.50 71.67 1jh3 s THR 84 CO 0.01 0.01 0.98 -0.69 -0.69 0.00 0.00 174.62 174.24 1jh3 s VAL 85 N 2.64 4.07 -0.29 3.82 1.01 -1.26 -1.29 120.40 129.09 1jh3 s VAL 85 Ca 0.03 1.96 0.02 0.00 0.00 0.00 0.00 61.98 64.00 1jh3 s VAL 85 Cb -0.13 -4.25 0.08 0.00 0.00 0.00 0.00 36.38 32.08 1jh3 s VAL 85 CO -0.15 0.42 -0.00 -0.63 0.00 0.00 0.00 175.10 174.74 1jh3 s ILE 86 N -0.84 1.87 -1.07 2.22 -1.09 0.47 -0.24 121.20 122.51 1jh3 s ILE 86 Ca 0.43 -1.78 -0.14 0.00 -2.23 0.00 0.00 60.65 56.93 1jh3 s ILE 86 Cb -0.27 -2.23 0.19 0.00 -1.58 0.00 0.00 42.46 38.57 1jh3 s ILE 86 CO 0.33 -0.37 1.22 -0.13 -1.23 0.00 0.00 174.94 174.76 1jh3 s ARG 87 N 1.17 3.93 -1.22 2.79 0.52 0.11 -0.42 118.95 125.82 1jh3 s ARG 87 Ca 0.02 -2.47 -0.20 0.00 -0.52 0.00 0.00 55.73 52.57 1jh3 s ARG 87 Cb -0.19 -4.86 0.04 0.00 0.52 0.00 0.00 34.95 30.46 1jh3 s ARG 87 CO -0.09 -1.62 1.71 0.50 0.02 0.00 0.00 175.30 175.82 1jh3 s ARG 88 N 1.19 3.69 0.44 3.54 6.06 -0.28 -1.06 118.95 132.55 1jh3 s ARG 88 Ca 0.35 -1.68 0.24 0.00 -2.50 0.00 0.00 55.73 52.13 1jh3 s ARG 88 Cb -0.05 -5.46 1.24 0.00 0.06 0.00 0.00 34.95 30.74 1jh3 s ARG 88 CO -0.05 -2.49 1.80 0.78 -2.50 0.00 0.00 175.30 172.84 1jh3 h GLY 89 N 13.39 0.80 -0.52 8.12 0.00 -0.50 0.36 103.07 124.72 1jh3 h GLY 89 Ca 0.36 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1jh3 h GLY 89 CO 1.42 -0.08 0.00 1.17 0.00 0.00 0.00 176.54 179.05 1jh3 n LYS 90 N -4.48 0.47 0.00 4.80 4.81 -1.26 -4.48 118.16 118.02 1jh3 n LYS 90 Ca 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 1jh3 n LYS 90 Cb 0.95 -1.12 0.00 0.00 0.02 0.00 0.00 35.03 34.88 1jh3 n LYS 90 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1jh3 n LYS 91 N -0.10 0.00 -1.03 1.64 4.81 0.11 -5.15 118.16 118.44 1jh3 n LYS 91 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1jh3 n LYS 91 Cb 0.06 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.11 1jh3 n LYS 91 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1jh3 n LYS 92 N -0.66 0.00 -3.41 1.64 3.00 -0.05 -5.01 118.16 113.68 1jh3 n LYS 92 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.93 1jh3 n LYS 92 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 34.99 1jh3 n LYS 92 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1jh3 n TYR 93 N 0.00 4.00 -1.87 5.64 4.01 -1.25 -1.12 117.16 126.57 1jh3 n TYR 93 Ca 0.00 -3.76 -0.29 0.00 -0.16 0.00 0.00 57.90 53.68 1jh3 n TYR 93 Cb 0.00 -1.23 0.12 0.00 -0.31 0.00 0.00 39.34 37.92 1jh3 n TYR 93 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1jh3 s TYR 94 N -1.79 2.51 -0.01 -0.72 2.02 0.44 -4.73 117.35 115.07 1jh3 s TYR 94 Ca 0.31 0.64 -0.01 0.00 -0.37 0.00 0.00 57.07 57.63 1jh3 s TYR 94 Cb -0.03 -3.66 0.01 0.00 -0.40 0.00 0.00 41.96 37.88 1jh3 s TYR 94 CO -0.05 -2.10 0.03 -1.17 -1.57 0.00 0.00 175.55 170.69 1jh3 s LEU 95 N -5.72 1.69 0.01 -1.29 2.96 -1.24 -0.39 118.68 114.68 1jh3 s LEU 95 Ca 0.66 0.06 0.04 0.00 -0.22 0.00 0.00 54.13 54.67 1jh3 s LEU 95 Cb -0.09 0.06 -0.01 0.00 0.50 0.00 0.00 46.19 46.65 1jh3 s LEU 95 CO 0.51 -0.04 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.73 1jh3 s ILE 96 N 0.28 1.04 0.39 6.68 1.09 -0.41 -0.73 121.20 129.54 1jh3 s ILE 96 Ca -0.02 -0.69 0.06 0.00 -1.10 0.00 0.00 60.65 58.89 1jh3 s ILE 96 Cb -0.03 -0.89 -0.02 0.00 -1.06 0.00 0.00 42.46 40.45 1jh3 s ILE 96 CO -0.01 0.20 0.21 -0.60 -0.10 0.00 0.00 174.94 174.63 1jh3 s ARG 97 N -0.57 1.91 0.29 2.79 3.52 0.46 -0.43 118.95 126.93 1jh3 s ARG 97 Ca 0.04 -2.15 0.10 0.00 -0.13 0.00 0.00 55.73 53.59 1jh3 s ARG 97 Cb -0.06 -0.19 -0.06 0.00 -1.56 0.00 0.00 34.95 33.09 1jh3 s ARG 97 CO 0.00 -0.59 -0.15 1.52 -0.81 0.00 0.00 175.30 175.27 1jh3 s TYR 98 N -3.27 2.23 -2.00 5.12 -0.85 -1.26 -1.62 117.35 115.70 1jh3 s TYR 98 Ca 0.30 -0.45 0.16 0.00 -0.52 0.00 0.00 57.07 56.56 1jh3 s TYR 98 Cb 0.02 -1.11 0.94 0.00 0.38 0.00 0.00 41.96 42.18 1jh3 s TYR 98 CO 0.21 0.59 1.35 0.00 -1.52 0.00 0.00 175.55 176.18