#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jh3 n LEU 2 N 0.00 1.20 0.00 0.00 0.00 -1.26 -5.06 117.00 111.89 1jh3 n LEU 2 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 56.01 56.36 1jh3 n LEU 2 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 43.42 43.32 1jh3 n LEU 2 CO 0.00 -0.10 0.00 0.33 0.00 0.00 0.00 177.39 177.62 1jh3 n PHE 3 N -0.80 -0.01 -3.92 1.96 7.35 -1.26 -5.16 117.46 115.61 1jh3 n PHE 3 Ca 0.00 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 1jh3 n PHE 3 Cb 0.00 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 39.80 1jh3 n PHE 3 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 1jh3 s SER 4 N -0.23 -0.05 0.00 -2.13 0.01 -1.26 -4.92 113.70 105.12 1jh3 s SER 4 Ca 0.00 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.36 1jh3 s SER 4 Cb 0.00 0.69 0.00 0.00 0.21 0.00 0.00 66.02 66.92 1jh3 s SER 4 CO 0.00 -1.33 0.00 0.61 0.41 0.00 0.00 173.24 172.93 1jh3 n GLY 5 N -0.45 -0.15 0.05 3.44 0.00 -1.26 -4.95 105.19 101.87 1jh3 n GLY 5 Ca -0.03 0.08 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 1jh3 n GLY 5 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jh3 h ASP 6 N 0.00 -0.05 -1.14 1.61 5.19 -2.00 -3.37 116.42 116.67 1jh3 h ASP 6 Ca 0.00 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.89 1jh3 h ASP 6 Cb 0.00 0.01 -0.19 0.00 0.18 0.00 0.00 39.33 39.34 1jh3 h ASP 6 CO 0.00 0.27 0.46 2.30 -3.12 0.00 0.00 179.24 179.15 1jh3 n ILE 7 N -3.85 3.33 0.28 0.35 -5.35 -1.26 -4.68 119.36 108.18 1jh3 n ILE 7 Ca -0.01 -3.07 0.16 0.00 -0.27 0.00 0.00 62.75 59.56 1jh3 n ILE 7 Cb 0.02 -1.55 0.77 0.00 -1.74 0.00 0.00 39.64 37.15 1jh3 n ILE 7 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jh3 h ALA 8 N 2.94 1.00 0.00 -1.28 0.00 -1.93 0.88 119.26 120.86 1jh3 h ALA 8 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1jh3 h ALA 8 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1jh3 h ALA 8 CO 0.93 0.00 -0.96 0.09 0.00 0.00 0.00 179.25 179.31 1jh3 n ASN 9 N -2.65 0.69 -2.93 0.00 3.02 -1.26 -4.74 115.26 107.38 1jh3 n ASN 9 Ca -0.01 0.10 -0.11 0.00 -0.03 0.00 0.00 54.58 54.53 1jh3 n ASN 9 Cb 0.14 0.56 -0.02 0.00 -0.61 0.00 0.00 39.78 39.85 1jh3 n ASN 9 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jh3 n LEU 10 N -2.29 -2.48 -4.87 3.41 -0.00 0.28 -5.03 117.00 106.03 1jh3 n LEU 10 Ca 0.01 -3.42 -0.30 0.00 -0.00 0.00 0.00 56.01 52.30 1jh3 n LEU 10 Cb 0.49 0.71 0.22 0.00 -0.00 0.00 0.00 43.42 44.84 1jh3 n LEU 10 CO 0.39 1.94 0.84 0.42 -0.00 0.00 0.00 177.39 180.98 1jh3 s THR 11 N 0.54 1.90 0.13 1.47 -4.23 -1.10 -4.65 115.64 109.69 1jh3 s THR 11 Ca 0.31 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.69 1jh3 s THR 11 Cb 0.05 -2.90 -0.03 0.00 1.34 0.00 0.00 72.50 70.96 1jh3 s THR 11 CO -0.12 0.00 1.53 0.00 -0.54 0.00 0.00 174.62 175.50 1jh3 h ALA 12 N -1.97 0.55 -0.73 3.99 0.00 -1.96 0.69 119.26 119.84 1jh3 h ALA 12 Ca -0.44 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.08 1jh3 h ALA 12 Cb 1.23 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1jh3 h ALA 12 CO 0.31 0.43 0.19 0.00 0.00 0.00 0.00 179.25 180.18 1jh3 h ALA 13 N 0.84 0.96 0.00 0.00 0.00 -1.99 -0.36 119.26 118.71 1jh3 h ALA 13 Ca 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1jh3 h ALA 13 Cb 0.63 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1jh3 h ALA 13 CO 0.04 0.67 0.00 1.49 0.00 0.00 0.00 179.25 181.45 1jh3 h GLU 14 N 1.10 0.00 0.00 0.00 4.81 -1.71 -1.59 114.58 117.19 1jh3 h GLU 14 Ca 0.23 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1jh3 h GLU 14 Cb 0.36 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 1jh3 h GLU 14 CO -0.00 0.00 -0.15 0.82 -0.73 0.00 0.00 179.01 178.95 1jh3 h ILE 15 N 0.00 0.75 -0.67 2.32 2.04 0.75 0.14 117.51 122.84 1jh3 h ILE 15 Ca 0.00 -1.60 0.07 0.00 1.00 0.00 0.00 64.86 64.33 1jh3 h ILE 15 Cb 0.77 1.45 -0.06 0.00 -0.74 0.00 0.00 36.82 38.23 1jh3 h ILE 15 CO 0.00 0.25 0.36 -0.33 0.00 0.00 0.00 178.15 178.43 1jh3 h GLU 16 N -1.00 0.63 0.02 2.37 5.08 -1.01 0.19 114.58 120.85 1jh3 h GLU 16 Ca -0.03 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.09 1jh3 h GLU 16 Cb 0.52 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1jh3 h GLU 16 CO -0.02 0.42 -0.95 0.37 -1.00 0.00 0.00 179.01 177.83 1jh3 h GLN 17 N 0.65 0.07 -0.26 2.33 5.75 -1.42 -1.43 115.11 120.81 1jh3 h GLN 17 Ca 0.31 -0.10 -0.12 0.00 -0.15 0.00 0.00 58.65 58.59 1jh3 h GLN 17 Cb 0.23 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 1jh3 h GLN 17 CO -0.21 0.96 -0.32 0.78 -2.65 0.00 0.00 178.83 177.39 1jh3 h GLY 18 N 2.42 0.60 -0.14 2.39 0.00 0.05 -3.25 103.07 105.14 1jh3 h GLY 18 Ca -0.03 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.76 1jh3 h GLY 18 CO 0.13 0.49 0.00 0.69 0.00 0.00 0.00 176.54 177.86 1jh3 n PHE 19 N -4.07 0.08 0.00 5.60 3.72 0.59 -4.64 117.46 118.74 1jh3 n PHE 19 Ca -0.01 -0.87 0.00 0.00 -0.05 0.00 0.00 57.45 56.52 1jh3 n PHE 19 Cb 0.46 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 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 -1.12 0.00 0.11 -1.08 3.00 -0.54 -2.25 118.16 116.28 1jh3 n LYS 20 Ca 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.42 1jh3 n LYS 20 Cb 0.57 -1.23 0.01 0.00 0.00 0.00 0.00 35.03 34.38 1jh3 n LYS 20 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1jh3 h ASP 21 N 0.00 0.00 -4.19 3.14 3.32 -1.87 -3.47 116.42 113.35 1jh3 h ASP 21 Ca 0.00 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 1jh3 h ASP 21 Cb 0.00 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.41 1jh3 h ASP 21 CO 0.00 0.71 -0.64 0.68 -1.72 0.00 0.00 179.24 178.26 1jh3 s VAL 22 N -2.98 0.81 1.03 -1.35 -7.23 -0.95 -5.11 120.40 104.61 1jh3 s VAL 22 Ca 0.02 -2.01 -0.15 0.00 -1.81 0.00 0.00 61.98 58.03 1jh3 s VAL 22 Cb 0.09 -2.38 0.20 0.00 0.56 0.00 0.00 36.38 34.86 1jh3 s VAL 22 CO 0.77 -0.26 1.15 -2.16 -0.31 0.00 0.00 175.10 174.28 1jh3 s PRO 23 N -3.93 0.19 0.54 4.82 0.04 -1.26 -4.93 135.00 130.48 1jh3 s PRO 23 Ca 0.30 0.13 0.07 0.00 0.04 0.00 0.00 61.00 61.54 1jh3 s PRO 23 Cb 0.07 -1.74 0.05 0.00 0.04 0.00 0.00 34.50 32.91 1jh3 s PRO 23 CO 0.09 -2.81 0.52 -1.54 0.04 0.00 0.00 177.00 173.30 1jh3 s SER 24 N -3.99 4.82 0.15 6.66 1.04 -1.26 -3.76 113.70 117.36 1jh3 s SER 24 Ca 0.68 -1.08 0.09 0.00 0.48 0.00 0.00 55.95 56.12 1jh3 s SER 24 Cb -0.13 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.24 1jh3 s SER 24 CO 0.55 -1.14 -0.21 0.12 0.98 0.00 0.00 173.24 173.54 1jh3 s PHE 25 N -2.71 1.96 -0.01 5.02 5.36 0.00 -4.94 117.98 122.65 1jh3 s PHE 25 Ca 0.44 -0.42 0.00 0.00 -0.96 0.00 0.00 56.93 55.99 1jh3 s PHE 25 Cb -0.03 -1.01 0.02 0.00 -0.34 0.00 0.00 43.02 41.65 1jh3 s PHE 25 CO 0.27 0.33 0.01 0.54 -1.46 0.00 0.00 175.22 174.92 1jh3 s VAL 26 N -1.61 -0.00 0.43 3.12 0.11 -1.26 -0.49 120.40 120.70 1jh3 s VAL 26 Ca 0.14 0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.30 1jh3 s VAL 26 Cb -0.08 -0.08 0.00 0.00 -1.53 0.00 0.00 36.38 34.69 1jh3 s VAL 26 CO 0.07 0.06 0.00 0.00 -3.33 0.00 0.00 175.10 171.90 1jh3 n HIS 27 N 3.73 0.98 1.79 1.54 1.44 -0.67 -4.93 115.22 119.10 1jh3 n HIS 27 Ca -0.22 -2.11 0.08 0.00 -2.01 0.00 0.00 57.72 53.46 1jh3 n HIS 27 Cb 0.54 -0.28 0.39 0.00 0.12 0.00 0.00 29.99 30.76 1jh3 n HIS 27 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1jh3 n GLU 28 N -1.07 1.18 0.00 -1.40 4.71 -1.26 0.16 120.64 122.96 1jh3 n GLU 28 Ca -0.18 -0.28 0.00 0.00 -0.01 0.00 0.00 57.16 56.70 1jh3 n GLU 28 Cb 0.54 -1.25 0.00 0.00 -1.01 0.00 0.00 31.44 29.72 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 0.81 -1.82 0.00 0.62 0.00 -1.26 -4.69 105.19 98.86 1jh3 n GLY 29 Ca 0.12 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.18 -0.79 3.85 -0.02 0.00 -1.26 -4.98 105.19 101.81 1jh3 n GLY 30 Ca 0.00 -1.55 -0.36 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.16 6.79 -0.27 1.61 -4.77 -1.26 -4.83 116.67 111.78 1jh3 s ASP 31 Ca 0.00 0.99 -0.21 0.00 -3.30 0.00 0.00 52.55 50.03 1jh3 s ASP 31 Cb 0.00 -2.26 0.07 0.00 -1.09 0.00 0.00 42.92 39.64 1jh3 s ASP 31 CO 0.00 0.17 0.69 -0.69 0.70 0.00 0.00 175.17 176.04 1jh3 s VAL 32 N -1.36 -0.00 0.47 2.11 1.01 -1.26 -4.95 120.40 116.43 1jh3 s VAL 32 Ca 0.34 0.00 -0.22 0.00 0.00 0.00 0.00 61.98 62.10 1jh3 s VAL 32 Cb -0.15 -0.98 -0.07 0.00 0.00 0.00 0.00 36.38 35.18 1jh3 s VAL 32 CO 0.18 0.00 1.14 -2.16 0.00 0.00 0.00 175.10 174.26 1jh3 s PRO 33 N 0.83 3.71 0.58 2.72 0.04 -1.26 -3.35 135.00 138.28 1jh3 s PRO 33 Ca -0.04 1.70 0.30 0.00 0.04 0.00 0.00 61.00 63.00 1jh3 s PRO 33 Cb -0.05 -2.32 1.40 0.00 0.04 0.00 0.00 34.50 33.57 1jh3 s PRO 33 CO -0.07 -0.57 1.78 1.37 0.04 0.00 0.00 177.00 179.56 1jh3 h LEU 34 N 1.88 0.00 0.73 -3.56 -0.00 -1.66 0.45 115.31 113.15 1jh3 h LEU 34 Ca -0.49 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.35 1jh3 h LEU 34 Cb 1.25 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.91 1jh3 h LEU 34 CO 0.60 0.00 -0.35 1.62 -0.00 0.00 0.00 178.44 180.31 1jh3 h VAL 35 N 0.00 0.00 -0.41 0.15 3.04 -1.90 -0.75 116.25 116.38 1jh3 h VAL 35 Ca 0.33 -0.14 -0.09 0.00 -1.01 0.00 0.00 66.70 65.79 1jh3 h VAL 35 Cb 1.67 0.00 -0.02 0.00 -2.01 0.00 0.00 31.29 30.93 1jh3 h VAL 35 CO -0.00 0.00 -0.10 -0.33 -1.01 0.00 0.00 177.57 176.13 1jh3 h GLU 36 N -1.11 0.73 0.00 4.17 4.39 -1.31 -1.36 114.58 120.09 1jh3 h GLU 36 Ca -0.10 -0.23 -0.09 0.00 0.34 0.00 0.00 59.36 59.28 1jh3 h GLU 36 Cb 0.75 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1jh3 h GLU 36 CO 0.16 0.81 -0.48 1.37 -1.16 0.00 0.00 179.01 179.71 1jh3 h LEU 37 N 0.66 0.00 -0.13 1.33 8.10 -1.37 0.11 115.31 124.01 1jh3 h LEU 37 Ca 0.12 0.00 -0.24 0.00 0.11 0.00 0.00 57.88 57.87 1jh3 h LEU 37 Cb 0.56 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.79 1jh3 h LEU 37 CO 0.03 0.44 -0.94 0.17 -4.11 0.00 0.00 178.44 174.04 1jh3 h LEU 38 N 0.00 0.73 -0.09 0.17 8.10 -0.66 0.85 115.31 124.41 1jh3 h LEU 38 Ca -0.01 -0.56 -0.15 0.00 0.11 0.00 0.00 57.88 57.27 1jh3 h LEU 38 Cb 1.34 -0.22 0.01 0.00 -0.44 0.00 0.00 40.66 41.35 1jh3 h LEU 38 CO 0.06 1.35 -0.55 0.58 -4.11 0.00 0.00 178.44 175.77 1jh3 h VAL 39 N 0.34 1.37 -0.20 0.15 2.07 -1.19 0.10 116.25 118.89 1jh3 h VAL 39 Ca -0.09 -1.88 -0.04 0.00 0.82 0.00 0.00 66.70 65.51 1jh3 h VAL 39 Cb 1.57 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 33.57 1jh3 h VAL 39 CO 0.17 0.56 -0.07 -1.28 0.02 0.00 0.00 177.57 176.98 1jh3 h SER 40 N 0.12 0.28 1.57 0.57 0.87 -1.05 -2.19 113.55 113.72 1jh3 h SER 40 Ca -0.04 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1jh3 h SER 40 Cb 1.20 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1jh3 h SER 40 CO 0.11 0.39 0.00 0.00 -0.53 0.00 0.00 176.83 176.80 1jh3 h ALA 41 N 1.65 1.00 0.00 6.23 0.00 -0.44 -3.47 119.26 124.22 1jh3 h ALA 41 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1jh3 h ALA 41 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1jh3 h ALA 41 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1jh3 n GLY 42 N 1.02 0.60 0.12 0.00 0.00 0.15 -4.81 105.19 102.27 1jh3 n GLY 42 Ca 0.04 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 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 1.50 -1.24 -0.61 5.03 -1.21 -3.43 117.51 117.55 1jh3 h ILE 43 Ca 0.00 -2.37 -0.12 0.00 -0.12 0.00 0.00 64.86 62.24 1jh3 h ILE 43 Cb 0.64 3.01 -0.22 0.00 -3.03 0.00 0.00 36.82 37.22 1jh3 h ILE 43 CO 0.00 0.67 -0.50 -0.44 -0.68 0.00 0.00 178.15 177.21 1jh3 s SER 44 N -6.86 -0.88 0.27 1.72 0.01 -1.24 -4.99 113.70 101.74 1jh3 s SER 44 Ca -0.14 -0.85 0.25 0.00 1.31 0.00 0.00 55.95 56.53 1jh3 s SER 44 Cb 0.02 1.63 0.90 0.00 0.21 0.00 0.00 66.02 68.78 1jh3 s SER 44 CO 0.82 -0.21 1.75 1.55 0.41 0.00 0.00 173.24 177.57 1jh3 h PRO 45 N 7.16 0.00 -5.69 12.44 0.13 -1.84 -3.32 132.00 140.88 1jh3 h PRO 45 Ca 0.04 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.55 1jh3 h PRO 45 Cb 1.15 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.15 1jh3 h PRO 45 CO 0.13 0.00 0.49 0.45 -0.23 0.00 0.00 178.00 178.85 1jh3 s SER 46 N -4.60 6.30 0.63 1.44 0.15 -1.26 -4.92 113.70 111.45 1jh3 s SER 46 Ca 0.07 -0.50 0.29 0.00 0.70 0.00 0.00 55.95 56.51 1jh3 s SER 46 Cb 0.10 -2.41 1.58 0.00 -1.71 0.00 0.00 66.02 63.57 1jh3 s SER 46 CO 0.51 -1.21 1.93 0.11 1.20 0.00 0.00 173.24 175.77 1jh3 h LYS 47 N 9.30 0.00 0.88 5.44 1.57 -1.98 0.23 116.57 132.01 1jh3 h LYS 47 Ca -0.27 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.47 1jh3 h LYS 47 Cb 1.08 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.39 1jh3 h LYS 47 CO 1.08 0.00 -0.42 0.07 -0.57 0.00 0.00 179.45 179.61 1jh3 h ARG 48 N 0.00 -1.14 -0.41 3.15 -0.00 -1.93 -0.97 114.38 113.09 1jh3 h ARG 48 Ca 0.08 0.08 0.08 0.00 -0.00 0.00 0.00 59.98 60.22 1jh3 h ARG 48 Cb 0.83 0.26 -0.07 0.00 -0.00 0.00 0.00 29.97 30.99 1jh3 h ARG 48 CO -0.00 -0.76 -0.03 0.37 -0.00 0.00 0.00 179.97 179.55 1jh3 h GLN 49 N -1.28 0.07 -0.20 0.08 -0.00 -1.01 -1.19 115.11 111.59 1jh3 h GLN 49 Ca -0.12 -0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.57 1jh3 h GLN 49 Cb 0.91 -0.02 -0.07 0.00 0.00 0.00 0.00 27.48 28.30 1jh3 h GLN 49 CO 0.20 0.05 -0.48 0.00 0.00 0.00 0.00 178.83 178.60 1jh3 h ALA 50 N 1.37 -0.70 0.00 3.38 0.00 -0.97 0.24 119.26 122.59 1jh3 h ALA 50 Ca 0.20 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1jh3 h ALA 50 Cb 0.29 0.92 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1jh3 h ALA 50 CO -0.36 -0.99 -0.12 0.00 0.00 0.00 0.00 179.25 177.78 1jh3 h ARG 51 N -0.50 0.00 0.12 0.00 3.08 -0.15 0.12 114.38 117.05 1jh3 h ARG 51 Ca 0.07 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.82 1jh3 h ARG 51 Cb 0.64 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.72 1jh3 h ARG 51 CO -0.46 0.12 -1.26 1.49 -1.07 0.00 0.00 179.97 178.80 1jh3 h GLU 52 N 0.00 0.63 -0.17 0.04 4.81 -0.58 -1.54 114.58 117.77 1jh3 h GLU 52 Ca -0.00 -0.84 0.05 0.00 -0.13 0.00 0.00 59.36 58.44 1jh3 h GLU 52 Cb 0.39 0.28 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 1jh3 h GLU 52 CO 0.02 1.38 0.21 -0.44 -0.73 0.00 0.00 179.01 179.45 1jh3 h ASP 53 N 0.28 0.00 0.00 1.04 5.19 0.66 0.12 116.42 123.70 1jh3 h ASP 53 Ca -0.19 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.20 1jh3 h ASP 53 Cb 1.93 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.43 1jh3 h ASP 53 CO 0.24 0.00 -0.25 0.40 -3.12 0.00 0.00 179.24 176.51 1jh3 h ILE 54 N 0.00 0.37 0.00 0.35 2.04 -0.86 -3.40 117.51 116.01 1jh3 h ILE 54 Ca 0.08 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.62 1jh3 h ILE 54 Cb 0.49 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1jh3 h ILE 54 CO -0.00 0.13 0.00 0.00 0.00 0.00 0.00 178.15 178.28 1jh3 n GLN 55 N -4.68 0.37 -2.82 2.37 6.02 -0.40 -4.25 117.38 114.01 1jh3 n GLN 55 Ca -0.06 0.03 -0.39 0.00 -0.01 0.00 0.00 57.00 56.57 1jh3 n GLN 55 Cb 0.21 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.91 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 -2.58 7.50 0.00 1.08 0.02 0.28 -4.90 114.94 116.33 1jh3 s ASN 56 Ca 0.25 1.84 0.00 0.00 -1.02 0.00 0.00 52.86 53.93 1jh3 s ASN 56 Cb 0.18 -2.57 0.00 0.00 0.02 0.00 0.00 41.25 38.88 1jh3 s ASN 56 CO 0.41 0.10 0.06 0.61 0.02 0.00 0.00 177.10 178.31 1jh3 n GLY 57 N 1.23 -0.06 0.02 0.66 0.00 -1.26 -2.17 105.19 103.62 1jh3 n GLY 57 Ca -0.02 0.00 0.13 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 -0.50 2.21 -3.41 4.61 0.00 -1.26 -4.43 120.51 117.73 1jh3 n ALA 58 Ca 0.00 -0.07 -0.44 0.00 0.00 0.00 0.00 53.44 52.92 1jh3 n ALA 58 Cb 0.00 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 17.97 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 -3.03 5.10 -0.76 0.00 -1.16 -0.92 -0.29 121.20 120.14 1jh3 s ILE 59 Ca 0.12 -2.33 -0.27 0.00 -0.51 0.00 0.00 60.65 57.67 1jh3 s ILE 59 Cb 0.16 -4.21 0.03 0.00 0.61 0.00 0.00 42.46 39.06 1jh3 s ILE 59 CO 0.50 -0.95 1.32 -0.31 -2.81 0.00 0.00 174.94 172.69 1jh3 s TYR 60 N 0.48 2.28 0.03 3.50 1.51 -0.02 -1.69 117.35 123.43 1jh3 s TYR 60 Ca 0.14 -0.08 -0.26 0.00 -1.01 0.00 0.00 57.07 55.86 1jh3 s TYR 60 Cb -0.17 -4.61 -0.05 0.00 -0.11 0.00 0.00 41.96 37.02 1jh3 s TYR 60 CO -0.05 -2.08 0.80 0.08 -1.11 0.00 0.00 175.55 173.19 1jh3 s VAL 61 N 5.81 4.77 -1.01 0.71 1.01 0.62 -0.62 120.40 131.69 1jh3 s VAL 61 Ca 0.37 1.69 0.00 0.00 0.00 0.00 0.00 61.98 64.04 1jh3 s VAL 61 Cb -0.07 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.16 1jh3 s VAL 61 CO 0.13 0.32 0.00 0.59 0.00 0.00 0.00 175.10 176.14 1jh3 n ASN 62 N 3.08 -5.65 0.00 3.32 5.03 -0.56 -0.50 115.26 119.98 1jh3 n ASN 62 Ca -0.01 0.24 0.00 0.00 0.87 0.00 0.00 54.58 55.68 1jh3 n ASN 62 Cb 0.50 -3.99 0.00 0.00 -1.02 0.00 0.00 39.78 35.27 1jh3 n ASN 62 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jh3 n GLY 63 N 0.18 0.45 2.89 7.41 0.00 -1.24 -5.01 105.19 109.87 1jh3 n GLY 63 Ca -0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.96 1.21 -0.40 1.61 2.56 0.35 -4.89 118.70 118.17 1jh3 s GLU 64 Ca 0.00 -0.17 -0.39 0.00 0.00 0.00 0.00 54.97 54.41 1jh3 s GLU 64 Cb 0.00 -1.27 -0.15 0.00 2.00 0.00 0.00 34.13 34.72 1jh3 s GLU 64 CO 0.00 -0.19 2.11 -2.13 -0.56 0.00 0.00 175.26 174.50 1jh3 n ARG 65 N 4.62 0.67 -3.44 4.30 0.63 -1.26 -0.28 116.66 121.90 1jh3 n ARG 65 Ca -0.15 0.19 -0.19 0.00 -0.92 0.00 0.00 57.85 56.78 1jh3 n ARG 65 Cb 0.50 -2.06 -0.11 0.00 0.45 0.00 0.00 32.46 31.25 1jh3 n ARG 65 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1jh3 s LEU 66 N 6.36 -0.12 -0.41 6.15 1.43 -0.68 -4.87 118.68 126.54 1jh3 s LEU 66 Ca 1.12 -0.70 0.04 0.00 -1.03 0.00 0.00 54.13 53.56 1jh3 s LEU 66 Cb -1.13 0.38 0.45 0.00 0.03 0.00 0.00 46.19 45.92 1jh3 s LEU 66 CO 0.58 -0.38 1.44 0.00 0.23 0.00 0.00 176.35 178.21 1jh3 n GLN 67 N 5.31 3.34 -3.80 1.70 0.00 -1.26 -4.65 117.38 118.01 1jh3 n GLN 67 Ca -0.03 -3.93 -0.11 0.00 0.00 0.00 0.00 57.00 52.92 1jh3 n GLN 67 Cb 0.46 -2.28 -0.08 0.00 0.00 0.00 0.00 30.24 28.34 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 -3.06 -0.07 0.12 2.61 -1.08 -1.26 -4.09 116.67 109.84 1jh3 s ASP 68 Ca 0.55 -0.20 -0.13 0.00 -0.52 0.00 0.00 52.55 52.24 1jh3 s ASP 68 Cb 0.44 0.31 -0.07 0.00 -1.46 0.00 0.00 42.92 42.14 1jh3 s ASP 68 CO 0.01 -0.54 1.44 1.62 0.52 0.00 0.00 175.17 178.22 1jh3 h VAL 69 N 3.52 1.29 0.00 1.11 3.04 -1.95 -1.76 116.25 121.49 1jh3 h VAL 69 Ca -0.31 -1.51 0.00 0.00 -1.01 0.00 0.00 66.70 63.86 1jh3 h VAL 69 Cb 1.19 1.50 0.00 0.00 -2.01 0.00 0.00 31.29 31.97 1jh3 h VAL 69 CO 0.45 0.49 0.00 0.61 -1.01 0.00 0.00 177.57 178.12 1jh3 n GLY 70 N 0.16 -0.67 0.06 3.17 0.00 -1.26 -2.83 105.19 103.82 1jh3 n GLY 70 Ca -0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.05 0.43 -3.48 4.61 0.00 -1.03 -5.05 120.51 114.94 1jh3 n ALA 71 Ca 0.14 -0.42 -0.16 0.00 0.00 0.00 0.00 53.44 52.99 1jh3 n ALA 71 Cb 0.08 0.01 -0.16 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.11 0.22 0.00 0.00 1.09 -0.69 -4.88 121.20 114.83 1jh3 s ILE 72 Ca -0.14 0.01 0.00 0.00 -1.10 0.00 0.00 60.65 59.42 1jh3 s ILE 72 Cb 0.02 -0.28 0.00 0.00 -1.06 0.00 0.00 42.46 41.14 1jh3 s ILE 72 CO 0.21 0.13 0.00 0.18 -0.10 0.00 0.00 174.94 175.36 1jh3 n LEU 73 N 3.83 0.00 0.00 2.97 4.77 -1.26 -3.11 117.00 124.20 1jh3 n LEU 73 Ca -0.23 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1jh3 n LEU 73 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1jh3 n LEU 73 CO 0.23 0.00 0.00 0.35 -1.33 0.00 0.00 177.39 176.64 1jh3 n THR 74 N -0.03 0.00 0.21 -5.08 -2.24 -1.21 -3.94 114.28 101.99 1jh3 n THR 74 Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1jh3 n THR 74 Cb 0.00 -0.37 -0.07 0.00 -2.10 0.00 0.00 70.33 67.78 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 0.75 -0.71 0.00 6.98 0.00 -1.88 -2.18 119.26 122.22 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 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1jh3 h ALA 75 CO 0.00 -0.94 0.00 -0.85 0.00 0.00 0.00 179.25 177.46 1jh3 n GLU 76 N -5.45 0.18 0.11 0.00 0.28 -1.26 -0.91 120.64 113.59 1jh3 n GLU 76 Ca -0.09 0.46 0.13 0.00 -0.16 0.00 0.00 57.16 57.49 1jh3 n GLU 76 Cb 0.35 -1.88 0.37 0.00 1.43 0.00 0.00 31.44 31.71 1jh3 n GLU 76 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1jh3 h HIS 77 N 0.00 0.00 0.00 -1.84 2.76 -1.81 -3.42 115.15 110.85 1jh3 h HIS 77 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1jh3 h HIS 77 Cb 0.30 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.26 1jh3 h HIS 77 CO 0.00 0.00 0.00 -2.13 -1.30 0.00 0.00 177.93 174.50 1jh3 n ARG 78 N -2.29 0.00 -2.47 5.26 0.00 -0.09 -4.79 116.66 112.29 1jh3 n ARG 78 Ca 0.05 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.66 1jh3 n ARG 78 Cb 0.44 0.00 0.09 0.00 0.00 0.00 0.00 32.46 32.99 1jh3 n ARG 78 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 1jh3 s LEU 79 N -2.14 2.99 0.08 6.15 2.34 -0.53 -4.98 118.68 122.59 1jh3 s LEU 79 Ca 0.00 -0.07 -0.03 0.00 0.06 0.00 0.00 54.13 54.09 1jh3 s LEU 79 Cb 0.00 -2.43 0.11 0.00 -0.56 0.00 0.00 46.19 43.31 1jh3 s LEU 79 CO 0.00 -1.72 0.44 -1.84 -1.06 0.00 0.00 176.35 172.17 1jh3 n GLU 80 N -2.82 -0.04 0.00 1.48 0.28 -1.26 -4.09 120.64 114.19 1jh3 n GLU 80 Ca 0.12 0.44 0.00 0.00 -0.16 0.00 0.00 57.16 57.56 1jh3 n GLU 80 Cb 0.60 -0.66 0.00 0.00 1.43 0.00 0.00 31.44 32.82 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 -1.17 -0.98 0.00 -1.84 0.00 -1.26 -4.86 105.19 95.09 1jh3 n GLY 81 Ca 0.04 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.30 1.61 5.12 -1.26 -4.93 116.66 116.90 1jh3 n ARG 82 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1jh3 n ARG 82 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 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 -0.72 0.00 -3.62 -1.55 3.72 -1.26 -4.12 117.46 109.90 1jh3 n PHE 83 Ca 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.39 1jh3 n PHE 83 Cb 0.00 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.50 1jh3 n PHE 83 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1jh3 s THR 84 N -0.25 -0.89 0.11 4.37 2.01 0.15 -4.25 115.64 116.88 1jh3 s THR 84 Ca 0.00 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 1jh3 s THR 84 Cb 0.00 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.45 1jh3 s THR 84 CO 0.00 0.00 1.00 -0.69 -0.69 0.00 0.00 174.62 174.24 1jh3 s VAL 85 N 2.78 4.41 -0.36 3.82 1.01 -1.26 -0.89 120.40 129.91 1jh3 s VAL 85 Ca -0.06 1.96 0.04 0.00 0.00 0.00 0.00 61.98 63.92 1jh3 s VAL 85 Cb -0.11 -4.25 0.10 0.00 0.00 0.00 0.00 36.38 32.12 1jh3 s VAL 85 CO -0.19 0.28 0.08 -0.63 0.00 0.00 0.00 175.10 174.64 1jh3 s ILE 86 N 0.13 2.29 -1.12 2.22 -1.09 0.34 -1.49 121.20 122.48 1jh3 s ILE 86 Ca 0.49 -2.46 -0.13 0.00 -2.23 0.00 0.00 60.65 56.31 1jh3 s ILE 86 Cb -0.24 -2.68 0.19 0.00 -1.58 0.00 0.00 42.46 38.15 1jh3 s ILE 86 CO 0.30 -0.63 1.27 -0.60 -1.23 0.00 0.00 174.94 174.05 1jh3 s ARG 87 N 0.75 4.02 -0.81 2.79 3.52 0.21 -0.32 118.95 129.12 1jh3 s ARG 87 Ca 0.12 -2.61 -0.23 0.00 -0.13 0.00 0.00 55.73 52.87 1jh3 s ARG 87 Cb -0.20 -4.88 0.06 0.00 -1.56 0.00 0.00 34.95 28.38 1jh3 s ARG 87 CO -0.07 -1.61 1.19 0.50 -0.81 0.00 0.00 175.30 174.50 1jh3 s ARG 88 N 0.95 3.32 0.61 5.12 6.06 -0.44 -0.84 118.95 133.72 1jh3 s ARG 88 Ca 0.37 -0.86 0.30 0.00 -2.50 0.00 0.00 55.73 53.04 1jh3 s ARG 88 Cb -0.05 -4.57 1.65 0.00 0.06 0.00 0.00 34.95 32.04 1jh3 s ARG 88 CO -0.04 -2.00 2.02 0.78 -2.50 0.00 0.00 175.30 173.56 1jh3 h GLY 89 N 12.04 0.00 1.52 8.12 0.00 -0.88 0.12 103.07 123.99 1jh3 h GLY 89 Ca -0.11 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.26 1jh3 h GLY 89 CO 1.25 0.00 0.23 1.70 0.00 0.00 0.00 176.54 179.73 1jh3 h LYS 90 N 0.00 0.28 0.00 4.80 3.11 -1.92 -3.43 116.57 119.41 1jh3 h LYS 90 Ca 0.10 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.92 1jh3 h LYS 90 Cb 0.69 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.86 1jh3 h LYS 90 CO -0.00 0.18 0.00 1.17 -2.81 0.00 0.00 179.45 177.99 1jh3 n LYS 91 N -4.48 0.00 -2.00 1.90 3.00 0.35 -5.18 118.16 111.75 1jh3 n LYS 91 Ca 0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.32 1jh3 n LYS 91 Cb 0.20 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.24 1jh3 n LYS 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1jh3 n LYS 92 N -1.73 0.39 -2.99 1.64 3.00 -0.76 -5.02 118.16 112.69 1jh3 n LYS 92 Ca 0.00 -0.77 -0.44 0.00 -0.00 0.00 0.00 58.31 57.10 1jh3 n LYS 92 Cb 0.00 0.96 0.00 0.00 0.00 0.00 0.00 35.03 36.00 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 -0.19 4.10 -1.80 5.64 4.01 -1.25 -1.33 117.16 126.34 1jh3 n TYR 93 Ca -0.03 -3.27 -0.29 0.00 -0.16 0.00 0.00 57.90 54.15 1jh3 n TYR 93 Cb 0.21 -1.77 0.12 0.00 -0.31 0.00 0.00 39.34 37.59 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 -0.64 2.54 -0.02 -0.72 2.02 0.56 -4.74 117.35 116.36 1jh3 s TYR 94 Ca 0.35 0.69 0.04 0.00 -0.37 0.00 0.00 57.07 57.79 1jh3 s TYR 94 Cb -0.01 -3.58 -0.01 0.00 -0.40 0.00 0.00 41.96 37.96 1jh3 s TYR 94 CO -0.00 -2.13 -0.15 -1.17 -1.57 0.00 0.00 175.55 170.54 1jh3 s LEU 95 N -5.78 1.95 -0.04 -1.29 2.96 -1.25 -0.50 118.68 114.73 1jh3 s LEU 95 Ca 0.65 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 54.29 1jh3 s LEU 95 Cb -0.11 -0.81 0.01 0.00 0.50 0.00 0.00 46.19 45.79 1jh3 s LEU 95 CO 0.51 0.16 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.97 1jh3 s ILE 96 N -0.13 0.87 0.29 6.68 -1.09 -0.06 -0.82 121.20 126.94 1jh3 s ILE 96 Ca 0.01 -0.37 -0.07 0.00 -2.23 0.00 0.00 60.65 57.99 1jh3 s ILE 96 Cb -0.08 -0.80 -0.00 0.00 -1.58 0.00 0.00 42.46 40.00 1jh3 s ILE 96 CO 0.00 0.28 0.46 0.00 -1.23 0.00 0.00 174.94 174.46 1jh3 s ARG 97 N 0.46 1.72 0.41 2.79 1.70 0.36 0.31 118.95 126.69 1jh3 s ARG 97 Ca -0.08 -1.53 0.07 0.00 -0.47 0.00 0.00 55.73 53.72 1jh3 s ARG 97 Cb -0.12 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.67 1jh3 s ARG 97 CO 0.01 -0.71 0.25 1.52 -1.08 0.00 0.00 175.30 175.30 1jh3 s TYR 98 N -3.50 2.65 0.00 5.89 -0.85 -1.26 -1.67 117.35 118.62 1jh3 s TYR 98 Ca 0.27 -0.54 0.00 0.00 -0.52 0.00 0.00 57.07 56.29 1jh3 s TYR 98 Cb -0.00 -2.02 0.00 0.00 0.38 0.00 0.00 41.96 40.32 1jh3 s TYR 98 CO 0.15 0.09 0.11 0.00 -1.52 0.00 0.00 175.55 174.37