#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 1.67 0.39 0.00 2.96 -1.26 -5.06 118.68 117.38 1jh3 s LEU 2 Ca 0.00 -0.17 0.06 0.00 -0.22 0.00 0.00 54.13 53.80 1jh3 s LEU 2 Cb 0.00 0.52 0.79 0.00 0.50 0.00 0.00 46.19 48.01 1jh3 s LEU 2 CO 0.00 -0.29 2.04 0.15 -1.32 0.00 0.00 176.35 176.93 1jh3 h PHE 3 N 4.67 0.60 0.00 5.38 3.57 -1.91 -3.46 116.94 125.80 1jh3 h PHE 3 Ca -0.30 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.22 1jh3 h PHE 3 Cb 1.20 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1jh3 h PHE 3 CO 0.57 0.38 0.00 0.43 -2.23 0.00 0.00 178.31 177.46 1jh3 n SER 4 N -4.46 0.00 0.00 0.41 7.64 -1.26 -4.80 113.62 111.14 1jh3 n SER 4 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1jh3 n SER 4 Cb 0.06 -2.17 0.00 0.00 -1.01 0.00 0.00 64.21 61.09 1jh3 n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jh3 n GLY 5 N -1.81 1.43 3.88 0.23 0.00 -1.26 -5.01 105.19 102.64 1jh3 n GLY 5 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.00 3.21 0.00 1.61 1.01 -1.26 -4.83 116.67 115.41 1jh3 s ASP 6 Ca 0.00 0.46 0.00 0.00 0.71 0.00 0.00 52.55 53.72 1jh3 s ASP 6 Cb 0.00 -0.65 0.00 0.00 1.01 0.00 0.00 42.92 43.28 1jh3 s ASP 6 CO 0.00 -2.69 0.15 2.30 0.21 0.00 0.00 175.17 175.14 1jh3 n ILE 7 N -3.78 0.00 0.27 0.77 -6.64 -1.26 -4.74 119.36 103.98 1jh3 n ILE 7 Ca 0.13 -0.15 0.16 0.00 -1.77 0.00 0.00 62.75 61.13 1jh3 n ILE 7 Cb 0.60 0.00 0.70 0.00 -1.44 0.00 0.00 39.64 39.49 1jh3 n ILE 7 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1jh3 h ALA 8 N 5.29 1.02 0.00 -1.28 0.00 -1.96 0.22 119.26 122.55 1jh3 h ALA 8 Ca 0.00 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1jh3 h ALA 8 Cb 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1jh3 h ALA 8 CO 0.15 0.05 -0.73 -0.91 0.00 0.00 0.00 179.25 177.81 1jh3 h ASN 9 N 0.00 0.00 -1.51 0.00 2.35 -2.01 -3.40 115.58 111.02 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 0.50 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.74 1jh3 h ASN 9 CO 0.01 0.73 1.80 0.18 -1.65 0.00 0.00 177.43 178.50 1jh3 n LEU 10 N -3.32 5.18 -4.87 1.61 7.99 0.78 -4.92 117.00 119.45 1jh3 n LEU 10 Ca 0.01 -4.22 -0.29 0.00 -0.01 0.00 0.00 56.01 51.50 1jh3 n LEU 10 Cb 0.81 -1.67 0.10 0.00 -0.11 0.00 0.00 43.42 42.54 1jh3 n LEU 10 CO 0.43 0.50 0.77 -0.89 -1.51 0.00 0.00 177.39 176.69 1jh3 s THR 11 N 2.76 2.19 0.06 -5.08 2.01 -1.26 -4.84 115.64 111.48 1jh3 s THR 11 Ca 0.48 0.06 -0.33 0.00 0.31 0.00 0.00 61.69 62.21 1jh3 s THR 11 Cb 0.01 -3.00 -0.19 0.00 0.01 0.00 0.00 72.50 69.33 1jh3 s THR 11 CO 0.03 -0.08 1.58 0.00 -0.69 0.00 0.00 174.62 175.46 1jh3 h ALA 12 N -1.12 -0.98 0.00 7.40 0.00 -1.98 0.26 119.26 122.84 1jh3 h ALA 12 Ca -0.47 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.22 1jh3 h ALA 12 Cb 1.32 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 1jh3 h ALA 12 CO 0.65 -1.04 -0.01 0.00 0.00 0.00 0.00 179.25 178.84 1jh3 h ALA 13 N -0.75 1.06 0.22 0.00 0.00 -1.98 0.16 119.26 117.97 1jh3 h ALA 13 Ca -0.10 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.47 1jh3 h ALA 13 Cb 0.76 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.58 1jh3 h ALA 13 CO 0.17 0.02 -1.48 1.49 0.00 0.00 0.00 179.25 179.45 1jh3 h GLU 14 N 0.00 0.47 0.06 0.00 4.57 -1.76 -1.67 114.58 116.24 1jh3 h GLU 14 Ca -0.00 -0.80 -0.00 0.00 -1.18 0.00 0.00 59.36 57.37 1jh3 h GLU 14 Cb 0.18 0.30 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1jh3 h GLU 14 CO 0.00 1.38 -0.03 0.82 -1.18 0.00 0.00 179.01 180.01 1jh3 h ILE 15 N 0.13 1.23 0.06 2.32 2.04 0.09 0.21 117.51 123.58 1jh3 h ILE 15 Ca -0.25 -1.02 0.02 0.00 1.00 0.00 0.00 64.86 64.62 1jh3 h ILE 15 Cb 2.13 1.89 -0.05 0.00 -0.74 0.00 0.00 36.82 40.05 1jh3 h ILE 15 CO 0.25 0.25 -0.43 -0.33 0.00 0.00 0.00 178.15 177.89 1jh3 h GLU 16 N -0.53 -0.60 0.00 2.37 4.39 -0.81 0.74 114.58 120.14 1jh3 h GLU 16 Ca -0.01 0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 1jh3 h GLU 16 Cb 0.47 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1jh3 h GLU 16 CO 0.01 -0.40 -0.26 0.37 -1.16 0.00 0.00 179.01 177.58 1jh3 h GLN 17 N -0.62 0.00 -0.60 2.33 5.75 -1.38 -0.33 115.11 120.25 1jh3 h GLN 17 Ca 0.03 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.45 1jh3 h GLN 17 Cb 0.67 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.20 1jh3 h GLN 17 CO -0.28 0.26 0.04 0.78 -2.65 0.00 0.00 178.83 176.98 1jh3 h GLY 18 N 2.74 1.12 -0.09 2.39 0.00 0.04 -3.34 103.07 105.93 1jh3 h GLY 18 Ca -0.00 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.54 1jh3 h GLY 18 CO 0.03 0.73 0.00 0.69 0.00 0.00 0.00 176.54 177.99 1jh3 n PHE 19 N -4.24 0.03 0.00 5.60 3.72 0.20 -4.76 117.46 118.01 1jh3 n PHE 19 Ca 0.03 -0.48 0.00 0.00 -0.05 0.00 0.00 57.45 56.95 1jh3 n PHE 19 Cb 0.32 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 1jh3 n PHE 19 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1jh3 n LYS 20 N -0.41 0.00 0.08 -1.08 4.81 -0.16 -1.16 118.16 120.24 1jh3 n LYS 20 Ca 0.01 0.37 -0.05 0.00 -0.87 0.00 0.00 58.31 57.77 1jh3 n LYS 20 Cb 0.25 -1.61 -0.05 0.00 0.02 0.00 0.00 35.03 33.65 1jh3 n LYS 20 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 1jh3 h ASP 21 N 0.00 0.00 -1.98 3.14 3.58 -1.87 -3.46 116.42 115.83 1jh3 h ASP 21 Ca 0.00 0.00 -0.49 0.00 0.42 0.00 0.00 57.03 56.96 1jh3 h ASP 21 Cb 0.21 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.23 1jh3 h ASP 21 CO 0.00 0.87 -0.46 -0.69 -2.88 0.00 0.00 179.24 176.08 1jh3 s VAL 22 N -2.89 4.00 1.03 2.25 1.01 -0.31 -5.11 120.40 120.38 1jh3 s VAL 22 Ca 0.01 -1.32 -0.15 0.00 0.00 0.00 0.00 61.98 60.52 1jh3 s VAL 22 Cb 0.10 -3.32 0.21 0.00 0.00 0.00 0.00 36.38 33.37 1jh3 s VAL 22 CO 0.80 -0.24 1.13 -2.16 0.00 0.00 0.00 175.10 174.63 1jh3 s PRO 23 N -3.96 0.13 0.43 2.72 0.04 -1.26 -4.90 135.00 128.19 1jh3 s PRO 23 Ca 0.38 0.20 0.06 0.00 0.04 0.00 0.00 61.00 61.67 1jh3 s PRO 23 Cb -0.07 -1.73 -0.06 0.00 0.04 0.00 0.00 34.50 32.68 1jh3 s PRO 23 CO 0.27 -2.87 0.01 -1.54 0.04 0.00 0.00 177.00 172.91 1jh3 s SER 24 N -3.86 3.84 0.05 6.66 1.04 -1.26 -3.01 113.70 117.16 1jh3 s SER 24 Ca 0.67 -1.43 0.01 0.00 0.48 0.00 0.00 55.95 55.68 1jh3 s SER 24 Cb -0.14 -0.18 -0.03 0.00 0.10 0.00 0.00 66.02 65.77 1jh3 s SER 24 CO 0.56 -0.55 -0.06 0.12 0.98 0.00 0.00 173.24 174.29 1jh3 s PHE 25 N -2.78 0.62 -0.02 5.02 5.36 0.16 -4.93 117.98 121.41 1jh3 s PHE 25 Ca 0.29 -0.64 0.01 0.00 -0.96 0.00 0.00 56.93 55.63 1jh3 s PHE 25 Cb 0.08 -0.38 0.01 0.00 -0.34 0.00 0.00 43.02 42.39 1jh3 s PHE 25 CO 0.15 -0.14 -0.02 0.54 -1.46 0.00 0.00 175.22 174.28 1jh3 s VAL 26 N -2.08 0.29 0.13 3.12 0.11 -1.25 -0.33 120.40 120.39 1jh3 s VAL 26 Ca -0.05 -0.06 0.08 0.00 -2.93 0.00 0.00 61.98 59.01 1jh3 s VAL 26 Cb -0.05 -0.31 -0.04 0.00 -1.53 0.00 0.00 36.38 34.45 1jh3 s VAL 26 CO -0.02 0.13 -0.19 -1.38 -3.33 0.00 0.00 175.10 170.31 1jh3 s HIS 27 N 0.47 1.73 -0.63 1.54 -3.43 -0.64 -4.90 115.29 109.44 1jh3 s HIS 27 Ca -0.05 -0.46 -0.07 0.00 -0.80 0.00 0.00 55.06 53.68 1jh3 s HIS 27 Cb -0.08 -0.91 -0.16 0.00 -1.43 0.00 0.00 32.58 30.00 1jh3 s HIS 27 CO -0.01 0.24 3.28 0.39 -2.00 0.00 0.00 174.74 176.64 1jh3 n GLU 28 N 0.72 2.72 0.00 -0.38 4.71 -1.26 -1.25 120.64 125.89 1jh3 n GLU 28 Ca -0.17 -1.63 0.00 0.00 -0.01 0.00 0.00 57.16 55.35 1jh3 n GLU 28 Cb 0.55 -2.30 0.00 0.00 -1.01 0.00 0.00 31.44 28.68 1jh3 n GLU 28 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1jh3 n GLY 29 N 2.66 -0.92 0.00 0.62 0.00 -1.24 -4.92 105.19 101.38 1jh3 n GLY 29 Ca 0.56 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.00 -0.87 3.80 -0.02 0.00 -1.26 -4.99 105.19 100.85 1jh3 n GLY 30 Ca 0.00 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.78 6.19 -0.28 1.61 -4.77 -1.26 -4.90 116.67 111.49 1jh3 s ASP 31 Ca 0.00 1.86 -0.21 0.00 -3.30 0.00 0.00 52.55 50.91 1jh3 s ASP 31 Cb 0.00 -2.55 0.08 0.00 -1.09 0.00 0.00 42.92 39.36 1jh3 s ASP 31 CO 0.00 -0.89 0.74 -0.69 0.70 0.00 0.00 175.17 175.03 1jh3 s VAL 32 N -2.19 0.00 0.45 2.11 1.01 -1.26 -4.96 120.40 115.56 1jh3 s VAL 32 Ca 0.65 0.00 -0.22 0.00 0.00 0.00 0.00 61.98 62.41 1jh3 s VAL 32 Cb -0.16 -1.00 -0.08 0.00 0.00 0.00 0.00 36.38 35.14 1jh3 s VAL 32 CO 0.26 0.00 1.09 -2.16 0.00 0.00 0.00 175.10 174.29 1jh3 s PRO 33 N 0.97 3.90 0.54 2.72 0.04 -1.26 -3.38 135.00 138.53 1jh3 s PRO 33 Ca -0.05 1.56 0.34 0.00 0.04 0.00 0.00 61.00 62.89 1jh3 s PRO 33 Cb -0.05 -2.36 1.52 0.00 0.04 0.00 0.00 34.50 33.65 1jh3 s PRO 33 CO -0.09 -0.38 1.85 1.37 0.04 0.00 0.00 177.00 179.78 1jh3 h LEU 34 N 2.05 0.00 -0.76 -3.56 -0.00 -1.71 0.27 115.31 111.61 1jh3 h LEU 34 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.39 1jh3 h LEU 34 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.89 1jh3 h LEU 34 CO 0.60 0.00 0.00 1.62 -0.00 0.00 0.00 178.44 180.67 1jh3 h VAL 35 N 0.00 0.00 0.01 0.15 3.04 -1.91 -0.49 116.25 117.05 1jh3 h VAL 35 Ca 0.49 -0.60 -0.40 0.00 -1.01 0.00 0.00 66.70 65.18 1jh3 h VAL 35 Cb 1.98 1.55 -0.06 0.00 -2.01 0.00 0.00 31.29 32.75 1jh3 h VAL 35 CO -0.01 0.00 -2.29 -0.62 -1.01 0.00 0.00 177.57 173.64 1jh3 n GLU 36 N -2.86 0.61 0.21 4.17 -0.58 -0.02 -4.21 120.64 117.97 1jh3 n GLU 36 Ca 0.02 0.28 0.09 0.00 -0.42 0.00 0.00 57.16 57.14 1jh3 n GLU 36 Cb 0.37 -1.56 0.30 0.00 -0.57 0.00 0.00 31.44 29.99 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 -0.66 0.00 0.00 -4.62 8.10 -1.24 0.55 115.31 117.44 1jh3 h LEU 37 Ca -0.60 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.26 1jh3 h LEU 37 Cb 1.67 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.87 1jh3 h LEU 37 CO -0.27 0.22 -0.89 0.17 -4.11 0.00 0.00 178.44 173.56 1jh3 h LEU 38 N 0.00 0.00 0.04 0.17 -0.00 -1.33 0.12 115.31 114.31 1jh3 h LEU 38 Ca -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.78 1jh3 h LEU 38 Cb 0.95 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.62 1jh3 h LEU 38 CO 0.03 0.56 -0.41 0.58 -0.00 0.00 0.00 178.44 179.20 1jh3 h VAL 39 N 0.00 1.57 -0.95 0.15 2.07 -1.61 0.11 116.25 117.59 1jh3 h VAL 39 Ca -0.07 -2.20 0.02 0.00 0.82 0.00 0.00 66.70 65.27 1jh3 h VAL 39 Cb 1.48 2.98 -0.05 0.00 -1.52 0.00 0.00 31.29 34.18 1jh3 h VAL 39 CO 0.06 0.61 0.63 0.28 0.02 0.00 0.00 177.57 179.16 1jh3 h SER 40 N -0.50 1.07 1.63 0.57 0.02 -0.98 -2.20 113.55 113.16 1jh3 h SER 40 Ca -0.06 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1jh3 h SER 40 Cb 1.22 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1jh3 h SER 40 CO 0.08 0.76 0.00 0.00 -1.14 0.00 0.00 176.83 176.53 1jh3 h ALA 41 N 1.36 1.00 -0.17 3.77 0.00 -0.75 -3.47 119.26 121.00 1jh3 h ALA 41 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1jh3 h ALA 41 Cb -0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1jh3 h ALA 41 CO -0.09 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.57 1jh3 n GLY 42 N 1.00 1.20 0.07 0.00 0.00 -0.12 -4.81 105.19 102.54 1jh3 n GLY 42 Ca 0.04 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 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 1.19 -1.33 -0.61 5.03 -1.10 -3.45 117.51 117.24 1jh3 h ILE 43 Ca 0.00 -1.78 -0.11 0.00 -0.12 0.00 0.00 64.86 62.85 1jh3 h ILE 43 Cb 0.37 2.20 -0.24 0.00 -3.03 0.00 0.00 36.82 36.13 1jh3 h ILE 43 CO 0.00 0.39 -0.49 -0.44 -0.68 0.00 0.00 178.15 176.93 1jh3 s SER 44 N -5.92 -0.65 0.38 1.72 0.01 -1.23 -5.04 113.70 102.97 1jh3 s SER 44 Ca -0.13 -0.51 0.26 0.00 1.31 0.00 0.00 55.95 56.87 1jh3 s SER 44 Cb -0.02 1.55 0.73 0.00 0.21 0.00 0.00 66.02 68.49 1jh3 s SER 44 CO 0.49 -0.27 1.74 1.55 0.41 0.00 0.00 173.24 177.15 1jh3 h PRO 45 N 7.61 0.00 -6.55 12.44 0.13 -1.85 -3.30 132.00 140.48 1jh3 h PRO 45 Ca -0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.56 1jh3 h PRO 45 Cb 1.15 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.22 1jh3 h PRO 45 CO 0.17 0.00 1.06 0.45 -0.23 0.00 0.00 178.00 179.45 1jh3 s SER 46 N -5.45 6.35 0.56 1.44 0.15 -1.26 -4.88 113.70 110.61 1jh3 s SER 46 Ca 0.07 0.72 0.25 0.00 0.70 0.00 0.00 55.95 57.69 1jh3 s SER 46 Cb 0.08 -2.54 1.50 0.00 -1.71 0.00 0.00 66.02 63.35 1jh3 s SER 46 CO 0.60 -1.44 2.09 0.50 1.20 0.00 0.00 173.24 176.18 1jh3 h LYS 47 N 10.58 0.00 -0.04 5.44 1.63 -1.98 0.38 116.57 132.58 1jh3 h LYS 47 Ca -0.27 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.53 1jh3 h LYS 47 Cb 1.10 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.73 1jh3 h LYS 47 CO 1.10 0.00 -0.00 -0.09 -3.45 0.00 0.00 179.45 177.01 1jh3 h ARG 48 N 0.00 0.07 -0.06 1.90 1.12 -1.94 -0.51 114.38 114.95 1jh3 h ARG 48 Ca 0.11 -0.02 0.02 0.00 -1.11 0.00 0.00 59.98 58.98 1jh3 h ARG 48 Cb 0.51 -0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.45 1jh3 h ARG 48 CO -0.00 0.37 -0.05 0.37 -3.11 0.00 0.00 179.97 177.55 1jh3 h GLN 49 N -0.25 -0.05 -0.42 0.20 5.75 -0.78 -1.70 115.11 117.86 1jh3 h GLN 49 Ca 0.01 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.58 1jh3 h GLN 49 Cb 0.34 0.01 -0.09 0.00 1.07 0.00 0.00 27.48 28.82 1jh3 h GLN 49 CO 0.00 -0.04 -0.49 0.00 -2.65 0.00 0.00 178.83 175.66 1jh3 h ALA 50 N 1.00 -0.58 -0.60 3.38 0.00 -0.58 0.39 119.26 122.26 1jh3 h ALA 50 Ca 0.04 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1jh3 h ALA 50 Cb 0.12 1.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1jh3 h ALA 50 CO -0.09 -0.95 0.40 -0.09 0.00 0.00 0.00 179.25 178.51 1jh3 h ARG 51 N -0.35 0.66 -0.06 0.00 9.65 -0.67 0.16 114.38 123.76 1jh3 h ARG 51 Ca 0.11 -0.04 -0.09 0.00 -1.10 0.00 0.00 59.98 58.86 1jh3 h ARG 51 Cb 0.59 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.03 1jh3 h ARG 51 CO -0.60 0.44 -0.33 1.49 2.80 0.00 0.00 179.97 183.77 1jh3 h GLU 52 N 0.68 0.33 0.00 0.20 4.81 -0.37 -0.50 114.58 119.73 1jh3 h GLU 52 Ca 0.24 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1jh3 h GLU 52 Cb 0.11 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1jh3 h GLU 52 CO -0.07 0.92 0.00 -0.25 -0.73 0.00 0.00 179.01 178.89 1jh3 n ASP 53 N -4.42 0.35 -0.02 1.04 9.92 0.13 -0.03 116.55 123.51 1jh3 n ASP 53 Ca -0.08 0.64 -0.01 0.00 -0.53 0.00 0.00 54.79 54.80 1jh3 n ASP 53 Cb 0.51 -0.69 -0.00 0.00 -0.64 0.00 0.00 41.12 40.29 1jh3 n ASP 53 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1jh3 h ILE 54 N 0.00 0.00 0.00 0.53 2.04 -0.81 -3.41 117.51 115.87 1jh3 h ILE 54 Ca 0.00 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1jh3 h ILE 54 Cb 0.07 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 1jh3 h ILE 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.15 1jh3 n GLN 55 N -2.98 0.47 -2.72 2.37 6.02 -0.20 -4.34 117.38 116.01 1jh3 n GLN 55 Ca -0.02 0.04 -0.42 0.00 -0.01 0.00 0.00 57.00 56.59 1jh3 n GLN 55 Cb 0.08 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.80 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 -2.19 7.39 0.00 1.08 0.02 0.95 -4.91 114.94 117.28 1jh3 s ASN 56 Ca 0.24 1.68 0.02 0.00 -1.02 0.00 0.00 52.86 53.78 1jh3 s ASN 56 Cb 0.12 -2.57 0.09 0.00 0.02 0.00 0.00 41.25 38.91 1jh3 s ASN 56 CO 0.23 -0.23 0.34 0.61 0.02 0.00 0.00 177.10 178.08 1jh3 n GLY 57 N 2.79 -0.14 0.01 0.66 0.00 -1.26 -1.42 105.19 105.83 1jh3 n GLY 57 Ca 0.05 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.67 2.57 -3.05 4.61 0.00 -1.26 -4.41 120.51 118.30 1jh3 n ALA 58 Ca 0.01 -0.16 -0.45 0.00 0.00 0.00 0.00 53.44 52.84 1jh3 n ALA 58 Cb 0.01 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.01 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 -2.83 4.92 -0.75 0.00 -1.16 -0.51 -0.49 121.20 120.38 1jh3 s ILE 59 Ca 0.19 -1.58 -0.27 0.00 -0.51 0.00 0.00 60.65 58.49 1jh3 s ILE 59 Cb 0.19 -4.65 0.03 0.00 0.61 0.00 0.00 42.46 38.64 1jh3 s ILE 59 CO 0.53 -1.32 1.32 -0.31 -2.81 0.00 0.00 174.94 172.34 1jh3 s TYR 60 N 2.22 2.26 -0.07 3.50 2.02 -0.32 -1.78 117.35 125.18 1jh3 s TYR 60 Ca 0.24 -0.05 -0.28 0.00 -0.37 0.00 0.00 57.07 56.62 1jh3 s TYR 60 Cb -0.11 -4.60 -0.02 0.00 -0.40 0.00 0.00 41.96 36.83 1jh3 s TYR 60 CO -0.05 -2.08 0.90 0.08 -1.57 0.00 0.00 175.55 172.83 1jh3 s VAL 61 N 5.88 4.89 0.00 0.71 1.01 0.75 -0.77 120.40 132.87 1jh3 s VAL 61 Ca 0.37 1.85 0.00 0.00 0.00 0.00 0.00 61.98 64.20 1jh3 s VAL 61 Cb -0.08 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1jh3 s VAL 61 CO 0.14 0.12 0.00 0.59 0.00 0.00 0.00 175.10 175.95 1jh3 n ASN 62 N 4.37 -4.34 0.00 3.32 3.02 -0.23 -0.45 115.26 120.96 1jh3 n ASN 62 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 1jh3 n ASN 62 Cb 0.50 -3.05 0.00 0.00 -0.61 0.00 0.00 39.78 36.62 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 0.04 0.86 3.07 7.41 0.00 -1.22 -4.97 105.19 110.37 1jh3 n GLY 63 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.87 2.58 -0.44 1.61 2.56 0.40 -4.96 118.70 119.59 1jh3 s GLU 64 Ca 0.00 -0.83 -0.32 0.00 0.00 0.00 0.00 54.97 53.82 1jh3 s GLU 64 Cb 0.00 -2.48 -0.11 0.00 2.00 0.00 0.00 34.13 33.54 1jh3 s GLU 64 CO 0.00 -0.29 2.30 -2.13 -0.56 0.00 0.00 175.26 174.58 1jh3 n ARG 65 N 4.64 1.04 -3.43 4.30 0.00 -1.26 -0.17 116.66 121.78 1jh3 n ARG 65 Ca -0.18 0.22 -0.25 0.00 -0.00 0.00 0.00 57.85 57.64 1jh3 n ARG 65 Cb 0.48 -2.63 -0.11 0.00 0.00 0.00 0.00 32.46 30.21 1jh3 n ARG 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1jh3 s LEU 66 N 8.61 0.68 -0.41 6.15 1.43 -0.73 -4.90 118.68 129.50 1jh3 s LEU 66 Ca 1.10 -2.04 0.04 0.00 -1.03 0.00 0.00 54.13 52.20 1jh3 s LEU 66 Cb -0.71 -0.12 0.46 0.00 0.03 0.00 0.00 46.19 45.85 1jh3 s LEU 66 CO 0.43 -0.29 1.47 0.00 0.23 0.00 0.00 176.35 178.19 1jh3 n GLN 67 N 4.06 3.24 -3.76 1.70 0.00 -1.26 -4.68 117.38 116.69 1jh3 n GLN 67 Ca 0.12 -3.85 -0.10 0.00 0.00 0.00 0.00 57.00 53.18 1jh3 n GLN 67 Cb 0.40 -2.26 -0.05 0.00 0.00 0.00 0.00 30.24 28.32 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 -2.99 -0.11 0.48 2.61 2.15 -1.26 -4.00 116.67 113.54 1jh3 s ASP 68 Ca 0.55 -0.51 0.23 0.00 0.43 0.00 0.00 52.55 53.24 1jh3 s ASP 68 Cb 0.44 0.46 1.23 0.00 -0.30 0.00 0.00 42.92 44.74 1jh3 s ASP 68 CO 0.02 -0.87 2.00 1.62 -0.17 0.00 0.00 175.17 177.78 1jh3 h VAL 69 N 2.45 0.76 0.00 1.11 3.04 -1.95 0.04 116.25 121.71 1jh3 h VAL 69 Ca -0.33 -0.70 0.00 0.00 -1.01 0.00 0.00 66.70 64.66 1jh3 h VAL 69 Cb 1.24 1.43 0.00 0.00 -2.01 0.00 0.00 31.29 31.95 1jh3 h VAL 69 CO 0.48 0.17 0.00 0.61 -1.01 0.00 0.00 177.57 177.82 1jh3 n GLY 70 N -0.65 -1.32 0.08 3.17 0.00 -1.26 -3.83 105.19 101.38 1jh3 n GLY 70 Ca -0.02 0.06 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 1jh3 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jh3 n ALA 71 N -1.75 0.55 -2.89 4.61 0.00 -0.10 -5.04 120.51 115.89 1jh3 n ALA 71 Ca 0.03 -0.49 -0.12 0.00 0.00 0.00 0.00 53.44 52.86 1jh3 n ALA 71 Cb 0.25 -0.04 -0.13 0.00 0.00 0.00 0.00 19.45 19.54 1jh3 n ALA 71 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1jh3 s ILE 72 N -2.34 0.16 0.00 0.00 1.09 -0.61 -4.93 121.20 114.57 1jh3 s ILE 72 Ca -0.18 -0.46 0.00 0.00 -1.10 0.00 0.00 60.65 58.90 1jh3 s ILE 72 Cb 0.03 -0.22 0.00 0.00 -1.06 0.00 0.00 42.46 41.21 1jh3 s ILE 72 CO 0.29 -0.19 0.00 0.18 -0.10 0.00 0.00 174.94 175.11 1jh3 n LEU 73 N 2.38 0.00 0.00 2.97 4.77 -1.26 -3.48 117.00 122.38 1jh3 n LEU 73 Ca -0.17 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.78 1jh3 n LEU 73 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1jh3 n LEU 73 CO 0.23 0.00 0.01 0.35 -1.33 0.00 0.00 177.39 176.65 1jh3 n THR 74 N 0.00 0.00 -0.21 -5.08 -2.24 -1.22 -4.13 114.28 101.40 1jh3 n THR 74 Ca 0.00 -0.22 -0.03 0.00 -2.27 0.00 0.00 64.05 61.53 1jh3 n THR 74 Cb 0.00 -0.51 0.08 0.00 -2.10 0.00 0.00 70.33 67.80 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 0.71 0.82 0.00 6.98 0.00 -1.90 -0.75 119.26 125.12 1jh3 h ALA 75 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jh3 h ALA 75 Cb 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1jh3 h ALA 75 CO 0.05 0.02 0.00 1.05 0.00 0.00 0.00 179.25 180.38 1jh3 h GLU 76 N 0.65 0.00 -0.04 0.00 4.11 -1.86 -0.68 114.58 116.75 1jh3 h GLU 76 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.70 1jh3 h GLU 76 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1jh3 h GLU 76 CO -0.17 0.00 0.00 1.58 0.07 0.00 0.00 179.01 180.49 1jh3 n HIS 77 N -2.44 0.04 0.00 2.06 -0.00 -0.36 -4.48 115.22 110.05 1jh3 n HIS 77 Ca 0.02 -0.02 0.00 0.00 0.46 0.00 0.00 57.72 58.18 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 -0.02 0.00 -0.47 1.57 0.00 -0.54 -4.63 116.66 112.58 1jh3 n ARG 78 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.04 1jh3 n ARG 78 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 32.46 32.75 1jh3 n ARG 78 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1jh3 n LEU 79 N -1.20 0.00 0.00 6.15 -0.00 -0.37 -4.94 117.00 116.64 1jh3 n LEU 79 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1jh3 n LEU 79 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1jh3 n LEU 79 CO 0.00 -0.43 0.19 -1.84 -0.00 0.00 0.00 177.39 175.31 1jh3 n GLU 80 N -0.85 0.00 -0.97 1.47 0.28 -1.26 -3.96 120.64 115.35 1jh3 n GLU 80 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1jh3 n GLU 80 Cb 0.00 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.37 1jh3 n GLU 80 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1jh3 n GLY 81 N -0.87 0.48 0.26 -1.84 0.00 -1.23 -4.81 105.19 97.17 1jh3 n GLY 81 Ca 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.49 0.17 -1.24 1.61 5.12 -1.26 -4.79 116.66 115.78 1jh3 n ARG 82 Ca 0.00 0.07 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 1jh3 n ARG 82 Cb 0.24 -0.72 0.00 0.00 -1.16 0.00 0.00 32.46 30.82 1jh3 n ARG 82 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1jh3 n PHE 83 N -3.21 -0.19 -3.63 -1.55 3.01 -1.26 -4.72 117.46 105.90 1jh3 n PHE 83 Ca -0.04 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.27 1jh3 n PHE 83 Cb 0.16 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.56 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 -2.06 0.00 0.19 4.37 2.01 0.35 -4.63 115.64 115.88 1jh3 s THR 84 Ca 0.00 -0.00 -0.06 0.00 0.31 0.00 0.00 61.69 61.93 1jh3 s THR 84 Cb 0.00 -0.95 -0.06 0.00 0.01 0.00 0.00 72.50 71.50 1jh3 s THR 84 CO 0.00 -0.00 0.46 -0.69 -0.69 0.00 0.00 174.62 173.69 1jh3 s VAL 85 N 0.21 5.07 -0.33 3.82 1.01 -1.26 -0.90 120.40 128.01 1jh3 s VAL 85 Ca -0.01 0.18 -0.00 0.00 0.00 0.00 0.00 61.98 62.14 1jh3 s VAL 85 Cb -0.04 -3.64 0.11 0.00 0.00 0.00 0.00 36.38 32.81 1jh3 s VAL 85 CO 0.02 -0.05 0.13 -0.63 0.00 0.00 0.00 175.10 174.57 1jh3 s ILE 86 N -1.77 0.88 -0.84 2.22 -1.09 0.51 -1.06 121.20 120.05 1jh3 s ILE 86 Ca 0.44 -1.59 -0.15 0.00 -2.23 0.00 0.00 60.65 57.12 1jh3 s ILE 86 Cb -0.12 -1.66 0.20 0.00 -1.58 0.00 0.00 42.46 39.31 1jh3 s ILE 86 CO 0.24 -0.74 0.83 -0.60 -1.23 0.00 0.00 174.94 173.45 1jh3 s ARG 87 N 1.39 3.58 -0.87 2.79 3.52 0.05 -0.30 118.95 129.11 1jh3 s ARG 87 Ca 0.12 -2.28 -0.23 0.00 -0.13 0.00 0.00 55.73 53.20 1jh3 s ARG 87 Cb -0.19 -4.52 0.07 0.00 -1.56 0.00 0.00 34.95 28.75 1jh3 s ARG 87 CO -0.20 -1.39 1.25 0.50 -0.81 0.00 0.00 175.30 174.65 1jh3 s ARG 88 N 0.75 3.41 -0.25 5.12 6.06 -0.55 -1.17 118.95 132.32 1jh3 s ARG 88 Ca 0.20 -1.00 -0.33 0.00 -2.50 0.00 0.00 55.73 52.10 1jh3 s ARG 88 Cb -0.10 -4.78 -0.10 0.00 0.06 0.00 0.00 34.95 30.03 1jh3 s ARG 88 CO -0.08 -2.03 2.12 0.41 -2.50 0.00 0.00 175.30 173.21 1jh3 n GLY 89 N 5.95 0.86 0.00 8.12 0.00 0.35 -0.71 105.19 119.76 1jh3 n GLY 89 Ca 0.17 0.88 0.00 0.00 0.00 0.00 0.00 46.02 47.07 1jh3 n GLY 89 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jh3 n LYS 90 N 7.92 0.00 0.00 1.61 4.81 -1.26 -4.86 118.16 126.38 1jh3 n LYS 90 Ca 0.34 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.78 1jh3 n LYS 90 Cb 0.30 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.35 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 0.00 0.00 0.00 1.64 4.81 0.11 -5.18 118.16 119.55 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 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 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 0.00 0.00 -3.71 1.64 3.00 -1.21 -4.94 118.16 112.95 1jh3 n LYS 92 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.99 1jh3 n LYS 92 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.94 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 3.73 -1.76 5.64 4.01 -1.24 -1.48 117.16 126.05 1jh3 n TYR 93 Ca 0.00 -4.17 -0.29 0.00 -0.16 0.00 0.00 57.90 53.28 1jh3 n TYR 93 Cb 0.00 -0.88 0.10 0.00 -0.31 0.00 0.00 39.34 38.25 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 -1.57 2.83 -0.06 -0.72 1.51 0.59 -4.70 117.35 115.21 1jh3 s TYR 94 Ca 0.28 0.82 0.03 0.00 -1.01 0.00 0.00 57.07 57.19 1jh3 s TYR 94 Cb -0.03 -3.42 0.01 0.00 -0.11 0.00 0.00 41.96 38.40 1jh3 s TYR 94 CO -0.13 -1.93 -0.15 -1.17 -1.11 0.00 0.00 175.55 171.06 1jh3 s LEU 95 N -5.72 1.77 -0.07 -1.29 2.96 -1.16 -0.36 118.68 114.81 1jh3 s LEU 95 Ca 0.62 -0.34 0.05 0.00 -0.22 0.00 0.00 54.13 54.24 1jh3 s LEU 95 Cb -0.12 -0.93 -0.00 0.00 0.50 0.00 0.00 46.19 45.63 1jh3 s LEU 95 CO 0.51 0.08 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.77 1jh3 s ILE 96 N 0.46 1.83 0.26 6.68 -1.09 -0.08 -0.66 121.20 128.59 1jh3 s ILE 96 Ca -0.12 -0.91 0.01 0.00 -2.23 0.00 0.00 60.65 57.39 1jh3 s ILE 96 Cb -0.15 -1.57 -0.00 0.00 -1.58 0.00 0.00 42.46 39.16 1jh3 s ILE 96 CO 0.04 0.51 0.31 -1.14 -1.23 0.00 0.00 174.94 173.43 1jh3 n ARG 97 N 3.26 0.44 -4.35 2.79 0.63 0.55 -0.49 116.66 119.50 1jh3 n ARG 97 Ca -0.19 -2.23 -0.19 0.00 -0.92 0.00 0.00 57.85 54.32 1jh3 n ARG 97 Cb 0.52 2.02 -0.10 0.00 0.45 0.00 0.00 32.46 35.35 1jh3 n ARG 97 CO 0.00 0.00 0.00 1.52 -2.51 0.00 0.00 177.63 176.64 1jh3 s TYR 98 N -3.28 1.74 -2.83 -0.14 -0.85 -1.26 -1.61 117.35 109.12 1jh3 s TYR 98 Ca 0.25 -0.55 0.25 0.00 -0.52 0.00 0.00 57.07 56.50 1jh3 s TYR 98 Cb 0.00 -0.81 0.48 0.00 0.38 0.00 0.00 41.96 42.01 1jh3 s TYR 98 CO 0.18 0.37 1.42 0.00 -1.52 0.00 0.00 175.55 176.00