#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 0.65 0.00 0.00 2.34 -1.26 -4.93 118.68 115.49 1jh3 s LEU 2 Ca 0.00 -1.16 0.00 0.00 0.06 0.00 0.00 54.13 53.03 1jh3 s LEU 2 Cb 0.00 1.40 0.00 0.00 -0.56 0.00 0.00 46.19 47.03 1jh3 s LEU 2 CO 0.00 -1.11 0.00 0.33 -1.06 0.00 0.00 176.35 174.51 1jh3 n PHE 3 N -0.40 0.00 0.00 3.48 -0.00 -1.26 -5.17 117.46 114.11 1jh3 n PHE 3 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1jh3 n PHE 3 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.11 1jh3 n PHE 3 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1jh3 n SER 4 N 0.00 0.00 0.00 -2.13 2.88 -1.26 -5.06 113.62 108.05 1jh3 n SER 4 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1jh3 n SER 4 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 -1.58 0.14 0.46 0.00 -1.26 -3.60 105.19 99.35 1jh3 n GLY 5 Ca 0.00 -2.06 -0.18 0.00 0.00 0.00 0.00 46.02 43.78 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 0.63 -1.21 1.61 5.19 -1.98 -2.98 116.42 117.69 1jh3 h ASP 6 Ca 0.00 -0.60 -0.60 0.00 -0.62 0.00 0.00 57.03 55.21 1jh3 h ASP 6 Cb 0.00 -0.20 -0.17 0.00 0.18 0.00 0.00 39.33 39.14 1jh3 h ASP 6 CO 0.00 1.43 1.06 2.30 -3.12 0.00 0.00 179.24 180.91 1jh3 n ILE 7 N -3.69 4.03 0.12 0.35 -0.00 -1.26 -4.71 119.36 114.21 1jh3 n ILE 7 Ca -0.10 -3.61 0.03 0.00 -0.00 0.00 0.00 62.75 59.06 1jh3 n ILE 7 Cb 0.97 -1.71 0.12 0.00 -0.00 0.00 0.00 39.64 39.02 1jh3 n ILE 7 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1jh3 n ALA 8 N 0.99 1.15 0.00 -1.28 0.00 -1.13 -0.72 120.51 119.52 1jh3 n ALA 8 Ca 0.53 0.01 0.09 0.00 0.00 0.00 0.00 53.44 54.07 1jh3 n ALA 8 Cb 0.43 -1.08 -0.14 0.00 0.00 0.00 0.00 19.45 18.66 1jh3 n ALA 8 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jh3 n ASN 9 N -1.58 0.17 -2.88 0.00 3.02 -1.26 -4.86 115.26 107.87 1jh3 n ASN 9 Ca 0.01 0.07 -0.11 0.00 -0.03 0.00 0.00 54.58 54.51 1jh3 n ASN 9 Cb 0.04 1.60 0.01 0.00 -0.61 0.00 0.00 39.78 40.82 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 -2.39 -2.31 0.00 3.41 -0.00 0.10 -4.96 117.00 110.85 1jh3 n LEU 10 Ca -0.06 -3.55 -0.24 0.00 -0.00 0.00 0.00 56.01 52.16 1jh3 n LEU 10 Cb 0.63 0.77 0.18 0.00 -0.00 0.00 0.00 43.42 44.99 1jh3 n LEU 10 CO 0.45 1.99 0.69 0.35 -0.00 0.00 0.00 177.39 180.87 1jh3 n THR 11 N 1.98 0.00 0.05 1.47 -2.24 -1.09 -4.65 114.28 109.79 1jh3 n THR 11 Ca 0.15 -0.74 -0.13 0.00 -2.27 0.00 0.00 64.05 61.06 1jh3 n THR 11 Cb 0.59 -1.53 -0.09 0.00 -2.10 0.00 0.00 70.33 67.20 1jh3 n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jh3 h ALA 12 N -1.95 -0.10 -0.56 6.98 0.00 -1.98 0.48 119.26 122.13 1jh3 h ALA 12 Ca -0.35 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1jh3 h ALA 12 Cb 0.99 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1jh3 h ALA 12 CO 0.25 -0.42 0.26 0.00 0.00 0.00 0.00 179.25 179.34 1jh3 h ALA 13 N 0.52 1.40 -0.08 0.00 0.00 -1.95 -0.22 119.26 118.93 1jh3 h ALA 13 Ca -0.01 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 1jh3 h ALA 13 Cb 0.33 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1jh3 h ALA 13 CO 0.02 0.47 -0.67 1.49 0.00 0.00 0.00 179.25 180.55 1jh3 h GLU 14 N 0.79 0.36 0.08 0.00 4.57 -1.78 -1.82 114.58 116.78 1jh3 h GLU 14 Ca 0.20 -0.27 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1jh3 h GLU 14 Cb 0.10 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1jh3 h GLU 14 CO -0.02 0.90 -0.04 0.82 -1.18 0.00 0.00 179.01 179.49 1jh3 h ILE 15 N 0.25 1.19 -0.39 2.32 2.04 0.22 0.23 117.51 123.36 1jh3 h ILE 15 Ca -0.02 -1.31 0.04 0.00 1.00 0.00 0.00 64.86 64.58 1jh3 h ILE 15 Cb 1.22 1.98 -0.04 0.00 -0.74 0.00 0.00 36.82 39.24 1jh3 h ILE 15 CO 0.11 0.30 0.15 -0.33 0.00 0.00 0.00 178.15 178.39 1jh3 h GLU 16 N -0.74 0.31 0.00 2.37 4.39 -0.99 0.34 114.58 120.26 1jh3 h GLU 16 Ca -0.01 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 1jh3 h GLU 16 Cb 0.58 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1jh3 h GLU 16 CO 0.02 0.20 -0.31 0.37 -1.16 0.00 0.00 179.01 178.13 1jh3 h GLN 17 N 0.32 0.00 0.00 2.33 5.75 -1.42 -1.64 115.11 120.44 1jh3 h GLN 17 Ca 0.18 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.58 1jh3 h GLN 17 Cb 0.14 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.68 1jh3 h GLN 17 CO -0.17 0.25 -0.51 0.78 -2.65 0.00 0.00 178.83 176.52 1jh3 h GLY 18 N 3.75 0.00 -0.37 2.39 0.00 0.28 -3.34 103.07 105.78 1jh3 h GLY 18 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1jh3 h GLY 18 CO 0.03 0.00 -0.19 0.69 0.00 0.00 0.00 176.54 177.08 1jh3 n PHE 19 N -3.20 0.00 0.18 5.60 3.72 0.11 -4.74 117.46 119.13 1jh3 n PHE 19 Ca 0.02 -0.41 0.08 0.00 -0.05 0.00 0.00 57.45 57.08 1jh3 n PHE 19 Cb 0.72 -0.08 0.41 0.00 -0.94 0.00 0.00 39.48 39.60 1jh3 n PHE 19 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1jh3 h LYS 20 N 0.00 0.00 0.00 -1.08 5.09 -1.42 -1.95 116.57 117.20 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 1.08 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.41 1jh3 h LYS 20 CO 0.00 0.00 0.00 0.22 -2.09 0.00 0.00 179.45 177.58 1jh3 h ASP 21 N 0.00 0.00 -3.09 7.07 3.58 -1.87 -3.44 116.42 118.67 1jh3 h ASP 21 Ca 0.00 0.00 -0.47 0.00 0.42 0.00 0.00 57.03 56.98 1jh3 h ASP 21 Cb 0.55 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 41.46 1jh3 h ASP 21 CO 0.00 0.00 -0.72 -0.69 -2.88 0.00 0.00 179.24 174.95 1jh3 s VAL 22 N -3.29 1.73 0.93 2.25 1.01 -0.74 -5.08 120.40 117.22 1jh3 s VAL 22 Ca 0.06 -2.19 -0.14 0.00 0.00 0.00 0.00 61.98 59.71 1jh3 s VAL 22 Cb 0.06 -2.18 0.16 0.00 0.00 0.00 0.00 36.38 34.41 1jh3 s VAL 22 CO 0.64 -0.49 1.17 -2.16 0.00 0.00 0.00 175.10 174.26 1jh3 s PRO 23 N -3.67 0.94 0.38 2.72 0.04 -1.26 -4.92 135.00 129.23 1jh3 s PRO 23 Ca 0.25 0.10 0.07 0.00 0.04 0.00 0.00 61.00 61.46 1jh3 s PRO 23 Cb 0.01 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.64 1jh3 s PRO 23 CO 0.09 -2.30 -0.02 -1.54 0.04 0.00 0.00 177.00 173.27 1jh3 s SER 24 N -4.26 3.65 0.12 6.66 1.04 -1.26 -3.23 113.70 116.41 1jh3 s SER 24 Ca 0.66 -1.31 -0.01 0.00 0.48 0.00 0.00 55.95 55.76 1jh3 s SER 24 Cb -0.12 -0.35 -0.04 0.00 0.10 0.00 0.00 66.02 65.62 1jh3 s SER 24 CO 0.53 -0.39 0.05 0.12 0.98 0.00 0.00 173.24 174.53 1jh3 s PHE 25 N -2.75 0.77 -0.01 5.02 5.36 0.07 -4.93 117.98 121.51 1jh3 s PHE 25 Ca 0.34 -1.18 0.00 0.00 -0.96 0.00 0.00 56.93 55.14 1jh3 s PHE 25 Cb 0.07 -0.44 0.01 0.00 -0.34 0.00 0.00 43.02 42.33 1jh3 s PHE 25 CO 0.17 -0.50 0.01 0.54 -1.46 0.00 0.00 175.22 173.97 1jh3 s VAL 26 N -4.02 0.03 0.50 3.12 0.11 -1.26 -0.90 120.40 117.98 1jh3 s VAL 26 Ca 0.21 0.06 0.02 0.00 -2.93 0.00 0.00 61.98 59.34 1jh3 s VAL 26 Cb 0.07 -0.09 0.02 0.00 -1.53 0.00 0.00 36.38 34.85 1jh3 s VAL 26 CO -0.01 0.05 0.15 0.00 -3.33 0.00 0.00 175.10 171.97 1jh3 n HIS 27 N 3.55 0.47 -2.64 1.54 1.44 -0.64 -4.93 115.22 114.00 1jh3 n HIS 27 Ca -0.19 -2.33 -0.42 0.00 -2.01 0.00 0.00 57.72 52.77 1jh3 n HIS 27 Cb 0.56 -0.36 0.01 0.00 0.12 0.00 0.00 29.99 30.31 1jh3 n HIS 27 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1jh3 n GLU 28 N -1.41 4.48 0.00 -1.40 2.13 -1.26 -0.67 120.64 122.50 1jh3 n GLU 28 Ca -0.13 -4.19 0.00 0.00 0.66 0.00 0.00 57.16 53.50 1jh3 n GLU 28 Cb 0.61 -2.62 0.00 0.00 0.27 0.00 0.00 31.44 29.70 1jh3 n GLU 28 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1jh3 n GLY 29 N 1.47 0.91 1.65 8.31 0.00 -1.26 -4.93 105.19 111.33 1jh3 n GLY 29 Ca 0.38 -0.78 -0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 -4.11 3.54 -0.02 0.00 -1.26 -4.90 105.19 98.44 1jh3 n GLY 30 Ca 0.00 -0.15 -0.46 0.00 0.00 0.00 0.00 46.02 45.42 1jh3 n GLY 30 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jh3 n ASP 31 N 0.79 0.65 -3.73 1.61 5.68 -1.26 -4.97 116.55 115.31 1jh3 n ASP 31 Ca -0.03 1.17 -0.12 0.00 -0.50 0.00 0.00 54.79 55.30 1jh3 n ASP 31 Cb 0.05 -1.20 -0.11 0.00 -1.14 0.00 0.00 41.12 38.72 1jh3 n ASP 31 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1jh3 s VAL 32 N -1.02 -0.01 0.43 2.12 0.11 -1.26 -4.96 120.40 115.81 1jh3 s VAL 32 Ca 0.60 0.04 -0.24 0.00 -2.93 0.00 0.00 61.98 59.45 1jh3 s VAL 32 Cb -0.76 -0.51 -0.10 0.00 -1.53 0.00 0.00 36.38 33.47 1jh3 s VAL 32 CO 0.59 0.02 0.95 -2.65 -3.33 0.00 0.00 175.10 170.68 1jh3 n PRO 33 N 3.36 1.23 0.17 1.54 -0.02 -1.26 -3.76 135.00 136.25 1jh3 n PRO 33 Ca -0.17 0.44 0.18 0.00 -2.02 0.00 0.00 63.50 61.93 1jh3 n PRO 33 Cb 0.56 -1.99 0.80 0.00 -0.02 0.00 0.00 33.50 32.86 1jh3 n PRO 33 CO 0.00 0.00 0.00 1.37 1.98 0.00 0.00 175.50 178.85 1jh3 h LEU 34 N 1.38 0.00 0.46 2.45 -0.00 -1.76 0.13 115.31 117.97 1jh3 h LEU 34 Ca -0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.43 1jh3 h LEU 34 Cb 1.35 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.99 1jh3 h LEU 34 CO 0.56 0.00 -0.34 1.62 -0.00 0.00 0.00 178.44 180.27 1jh3 h VAL 35 N 0.00 0.30 -0.53 0.15 3.04 -1.92 -1.11 116.25 116.18 1jh3 h VAL 35 Ca 0.12 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.74 1jh3 h VAL 35 Cb 0.65 0.30 -0.02 0.00 -2.01 0.00 0.00 31.29 30.20 1jh3 h VAL 35 CO -0.00 0.00 0.05 -0.33 -1.01 0.00 0.00 177.57 176.28 1jh3 h GLU 36 N -0.79 0.90 0.00 4.17 4.39 -1.13 -0.50 114.58 121.63 1jh3 h GLU 36 Ca -0.05 -0.26 -0.14 0.00 0.34 0.00 0.00 59.36 59.26 1jh3 h GLU 36 Cb 0.67 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 1jh3 h GLU 36 CO 0.01 0.90 -0.66 1.37 -1.16 0.00 0.00 179.01 179.47 1jh3 h LEU 37 N 0.78 0.00 0.00 1.33 8.10 -1.22 0.12 115.31 124.42 1jh3 h LEU 37 Ca 0.16 0.00 -0.21 0.00 0.11 0.00 0.00 57.88 57.93 1jh3 h LEU 37 Cb 0.46 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.64 1jh3 h LEU 37 CO 0.02 0.66 -1.37 0.17 -4.11 0.00 0.00 178.44 173.80 1jh3 h LEU 38 N 0.00 0.00 -0.01 0.17 -0.00 -0.91 0.27 115.31 114.83 1jh3 h LEU 38 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1jh3 h LEU 38 Cb 1.20 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.86 1jh3 h LEU 38 CO 0.09 0.78 -0.01 0.58 -0.00 0.00 0.00 178.44 179.88 1jh3 h VAL 39 N 0.00 1.38 -0.44 0.15 2.07 -1.02 0.28 116.25 118.67 1jh3 h VAL 39 Ca -0.17 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.22 1jh3 h VAL 39 Cb 1.75 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 33.63 1jh3 h VAL 39 CO 0.07 0.29 0.26 -1.28 0.02 0.00 0.00 177.57 176.94 1jh3 h SER 40 N -0.46 0.53 1.47 0.57 0.87 -0.79 -2.20 113.55 113.54 1jh3 h SER 40 Ca 0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1jh3 h SER 40 Cb 0.48 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1jh3 h SER 40 CO 0.00 0.43 0.00 0.00 -0.53 0.00 0.00 176.83 176.73 1jh3 h ALA 41 N 1.12 1.00 0.00 6.23 0.00 -0.52 -3.47 119.26 123.62 1jh3 h ALA 41 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1jh3 h ALA 41 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1jh3 h ALA 41 CO -0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.63 1jh3 n GLY 42 N 1.13 1.55 0.11 0.00 0.00 -0.29 -4.82 105.19 102.87 1jh3 n GLY 42 Ca 0.05 -0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 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 1.53 -1.79 -0.61 5.03 -0.75 -3.42 117.51 117.50 1jh3 h ILE 43 Ca 0.00 -2.25 -0.19 0.00 -0.12 0.00 0.00 64.86 62.30 1jh3 h ILE 43 Cb 0.12 2.95 -0.29 0.00 -3.03 0.00 0.00 36.82 36.56 1jh3 h ILE 43 CO 0.00 0.63 -0.53 -0.44 -0.68 0.00 0.00 178.15 177.13 1jh3 s SER 44 N -6.67 0.45 0.37 1.72 0.01 -1.05 -5.00 113.70 103.54 1jh3 s SER 44 Ca -0.15 -0.24 0.27 0.00 1.31 0.00 0.00 55.95 57.14 1jh3 s SER 44 Cb 0.01 1.06 0.89 0.00 0.21 0.00 0.00 66.02 68.19 1jh3 s SER 44 CO 0.79 -0.34 1.78 1.55 0.41 0.00 0.00 173.24 177.43 1jh3 h PRO 45 N 8.18 0.00 -5.49 12.44 0.13 -1.81 -3.34 132.00 142.11 1jh3 h PRO 45 Ca -0.12 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.36 1jh3 h PRO 45 Cb 1.13 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.11 1jh3 h PRO 45 CO 0.27 0.00 0.21 0.45 -0.23 0.00 0.00 178.00 178.70 1jh3 s SER 46 N -5.19 6.33 0.58 1.44 0.15 -1.26 -4.94 113.70 110.81 1jh3 s SER 46 Ca 0.06 -0.35 0.33 0.00 0.70 0.00 0.00 55.95 56.69 1jh3 s SER 46 Cb 0.09 -2.34 1.82 0.00 -1.71 0.00 0.00 66.02 63.87 1jh3 s SER 46 CO 0.55 -0.86 2.01 0.11 1.20 0.00 0.00 173.24 176.25 1jh3 h LYS 47 N 8.95 0.00 0.16 5.44 1.57 -1.98 0.20 116.57 130.91 1jh3 h LYS 47 Ca -0.25 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 1jh3 h LYS 47 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1jh3 h LYS 47 CO 0.93 0.00 -0.07 -0.09 -0.57 0.00 0.00 179.45 179.65 1jh3 h ARG 48 N 0.00 -0.20 -0.49 3.15 9.65 -1.94 -0.67 114.38 123.88 1jh3 h ARG 48 Ca 0.00 0.01 0.09 0.00 -1.10 0.00 0.00 59.98 58.98 1jh3 h ARG 48 Cb 0.29 0.05 -0.07 0.00 -1.39 0.00 0.00 29.97 28.84 1jh3 h ARG 48 CO 0.00 0.24 0.06 0.37 2.80 0.00 0.00 179.97 183.44 1jh3 h GLN 49 N -0.81 0.18 -0.10 0.20 -0.00 -1.27 -1.48 115.11 111.83 1jh3 h GLN 49 Ca -0.02 -0.01 0.04 0.00 -0.00 0.00 0.00 58.65 58.66 1jh3 h GLN 49 Cb 0.53 -0.04 -0.06 0.00 0.00 0.00 0.00 27.48 27.91 1jh3 h GLN 49 CO 0.04 0.12 -0.42 0.00 0.00 0.00 0.00 178.83 178.56 1jh3 h ALA 50 N 1.40 -0.62 0.00 3.38 0.00 -0.75 0.29 119.26 122.96 1jh3 h ALA 50 Ca 0.24 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1jh3 h ALA 50 Cb 0.34 0.78 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1jh3 h ALA 50 CO -0.35 -0.94 -0.11 0.00 0.00 0.00 0.00 179.25 177.85 1jh3 h ARG 51 N -0.51 0.00 0.02 0.00 3.08 -0.46 0.26 114.38 116.77 1jh3 h ARG 51 Ca 0.07 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1jh3 h ARG 51 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1jh3 h ARG 51 CO -0.38 0.11 -0.01 1.49 -1.07 0.00 0.00 179.97 180.11 1jh3 h GLU 52 N 0.00 -0.03 0.00 0.04 4.81 -0.39 -0.09 114.58 118.91 1jh3 h GLU 52 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1jh3 h GLU 52 Cb 0.24 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1jh3 h GLU 52 CO 0.01 0.44 0.00 -0.25 -0.73 0.00 0.00 179.01 178.49 1jh3 n ASP 53 N -4.87 0.00 -0.02 1.04 9.92 0.95 -0.15 116.55 123.42 1jh3 n ASP 53 Ca -0.08 0.48 -0.02 0.00 -0.53 0.00 0.00 54.79 54.64 1jh3 n ASP 53 Cb 0.25 -0.48 -0.01 0.00 -0.64 0.00 0.00 41.12 40.25 1jh3 n ASP 53 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1jh3 n ILE 54 N -1.48 0.33 0.14 0.53 5.41 0.68 -4.55 119.36 120.42 1jh3 n ILE 54 Ca 0.00 0.43 0.02 0.00 1.00 0.00 0.00 62.75 64.20 1jh3 n ILE 54 Cb 0.01 -1.70 0.08 0.00 -0.71 0.00 0.00 39.64 37.33 1jh3 n ILE 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1jh3 n GLN 55 N -2.88 0.01 -2.81 0.38 3.00 -0.05 -4.35 117.38 110.68 1jh3 n GLN 55 Ca -0.03 0.40 -0.42 0.00 -0.01 0.00 0.00 57.00 56.95 1jh3 n GLN 55 Cb 0.09 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 28.80 1jh3 n GLN 55 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1jh3 s ASN 56 N -2.92 7.12 0.00 1.08 0.02 0.79 -4.91 114.94 116.12 1jh3 s ASN 56 Ca 0.02 1.37 0.00 0.00 -1.02 0.00 0.00 52.86 53.23 1jh3 s ASN 56 Cb 0.03 -2.50 0.01 0.00 0.02 0.00 0.00 41.25 38.81 1jh3 s ASN 56 CO 0.07 -0.36 0.20 0.61 0.02 0.00 0.00 177.10 177.64 1jh3 n GLY 57 N 3.20 -0.17 0.00 0.66 0.00 -1.26 -1.28 105.19 106.34 1jh3 n GLY 57 Ca 0.05 -0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.52 2.43 -3.01 4.61 0.00 -1.26 -4.43 120.51 118.32 1jh3 n ALA 58 Ca 0.00 -0.13 -0.45 0.00 0.00 0.00 0.00 53.44 52.87 1jh3 n ALA 58 Cb 0.00 -1.48 -0.02 0.00 0.00 0.00 0.00 19.45 17.95 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 -2.75 4.91 -0.83 0.00 -1.16 -0.40 -0.37 121.20 120.60 1jh3 s ILE 59 Ca 0.22 -1.76 -0.26 0.00 -0.51 0.00 0.00 60.65 58.35 1jh3 s ILE 59 Cb 0.20 -4.71 0.04 0.00 0.61 0.00 0.00 42.46 38.59 1jh3 s ILE 59 CO 0.49 -1.40 1.34 -0.31 -2.81 0.00 0.00 174.94 172.25 1jh3 s TYR 60 N 2.16 2.35 -0.06 3.50 2.02 -0.03 -1.79 117.35 125.50 1jh3 s TYR 60 Ca 0.29 -0.29 -0.30 0.00 -0.37 0.00 0.00 57.07 56.40 1jh3 s TYR 60 Cb -0.06 -4.65 -0.02 0.00 -0.40 0.00 0.00 41.96 36.83 1jh3 s TYR 60 CO -0.09 -2.04 1.05 0.08 -1.57 0.00 0.00 175.55 172.99 1jh3 s VAL 61 N 5.54 4.64 -0.41 0.71 1.01 0.10 -0.95 120.40 131.04 1jh3 s VAL 61 Ca 0.39 1.91 0.00 0.00 0.00 0.00 0.00 61.98 64.28 1jh3 s VAL 61 Cb -0.05 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1jh3 s VAL 61 CO 0.07 0.05 0.00 0.59 0.00 0.00 0.00 175.10 175.81 1jh3 n ASN 62 N 4.71 -5.81 0.00 3.32 5.03 0.07 -0.28 115.26 122.30 1jh3 n ASN 62 Ca 0.09 0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.63 1jh3 n ASN 62 Cb 0.49 -3.65 0.00 0.00 -1.02 0.00 0.00 39.78 35.60 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 0.60 0.64 3.00 7.41 0.00 -1.10 -5.02 105.19 110.72 1jh3 n GLY 63 Ca -0.04 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.07 2.11 -0.49 1.61 2.56 0.62 -4.95 118.70 119.09 1jh3 s GLU 64 Ca 0.00 -0.78 -0.32 0.00 0.00 0.00 0.00 54.97 53.87 1jh3 s GLU 64 Cb 0.00 -2.35 -0.12 0.00 2.00 0.00 0.00 34.13 33.66 1jh3 s GLU 64 CO 0.00 -0.38 2.34 -2.13 -0.56 0.00 0.00 175.26 174.53 1jh3 n ARG 65 N 4.70 0.92 -3.10 4.30 0.00 -1.26 0.02 116.66 122.24 1jh3 n ARG 65 Ca -0.15 0.18 -0.20 0.00 -0.00 0.00 0.00 57.85 57.67 1jh3 n ARG 65 Cb 0.47 -2.58 -0.05 0.00 0.00 0.00 0.00 32.46 30.31 1jh3 n ARG 65 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1jh3 n LEU 66 N 11.58 -0.73 -1.53 6.15 4.77 -0.74 -4.91 117.00 131.59 1jh3 n LEU 66 Ca 0.44 -4.28 0.00 0.00 -0.03 0.00 0.00 56.01 52.14 1jh3 n LEU 66 Cb 0.28 0.68 0.00 0.00 -2.33 0.00 0.00 43.42 42.05 1jh3 n LEU 66 CO 0.77 2.02 0.92 0.00 -1.33 0.00 0.00 177.39 179.77 1jh3 n GLN 67 N 1.71 0.92 -3.77 3.23 -0.00 -1.26 -4.77 117.38 113.44 1jh3 n GLN 67 Ca 0.20 0.00 -0.12 0.00 -0.00 0.00 0.00 57.00 57.07 1jh3 n GLN 67 Cb 0.55 -1.04 -0.08 0.00 -0.00 0.00 0.00 30.24 29.67 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 1.99 -0.12 0.02 2.61 2.15 -1.26 -4.25 116.67 117.80 1jh3 s ASP 68 Ca 0.00 -0.10 0.11 0.00 0.43 0.00 0.00 52.55 52.99 1jh3 s ASP 68 Cb 0.00 0.32 -0.22 0.00 -0.30 0.00 0.00 42.92 42.72 1jh3 s ASP 68 CO 0.00 -0.53 0.89 1.62 -0.17 0.00 0.00 175.17 176.98 1jh3 h VAL 69 N 3.57 1.15 -0.43 1.11 3.04 -1.90 -1.96 116.25 120.83 1jh3 h VAL 69 Ca -0.31 -2.94 -0.02 0.00 -1.01 0.00 0.00 66.70 62.42 1jh3 h VAL 69 Cb 1.19 2.56 -0.02 0.00 -2.01 0.00 0.00 31.29 33.01 1jh3 h VAL 69 CO 0.44 0.65 0.17 1.23 -1.01 0.00 0.00 177.57 179.05 1jh3 h GLY 70 N 3.33 0.65 0.41 3.17 0.00 -1.99 -3.27 103.07 105.38 1jh3 h GLY 70 Ca -0.18 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 1jh3 h GLY 70 CO 0.10 0.30 -0.15 0.00 0.00 0.00 0.00 176.54 176.79 1jh3 h ALA 71 N 1.58 -0.41 -3.88 3.60 0.00 -1.90 -3.46 119.26 114.80 1jh3 h ALA 71 Ca 0.15 -0.17 -0.32 0.00 0.00 0.00 0.00 54.91 54.57 1jh3 h ALA 71 Cb 0.13 0.16 -0.29 0.00 0.00 0.00 0.00 17.79 17.79 1jh3 h ALA 71 CO -0.01 -0.43 -0.75 0.42 0.00 0.00 0.00 179.25 178.47 1jh3 s ILE 72 N -3.48 0.40 0.00 0.00 1.09 -0.75 -4.92 121.20 113.54 1jh3 s ILE 72 Ca -0.10 -0.21 0.00 0.00 -1.10 0.00 0.00 60.65 59.24 1jh3 s ILE 72 Cb 0.01 -0.34 0.00 0.00 -1.06 0.00 0.00 42.46 41.07 1jh3 s ILE 72 CO 0.36 0.12 0.00 0.18 -0.10 0.00 0.00 174.94 175.50 1jh3 n LEU 73 N 3.01 0.00 0.00 2.97 4.77 -1.26 -3.44 117.00 123.05 1jh3 n LEU 73 Ca -0.13 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.71 1jh3 n LEU 73 Cb 0.58 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.66 1jh3 n LEU 73 CO 0.25 0.00 0.01 0.35 -1.33 0.00 0.00 177.39 176.67 1jh3 n THR 74 N 0.00 0.00 -0.30 -5.08 -2.24 -1.25 -4.39 114.28 101.02 1jh3 n THR 74 Ca 0.00 -1.07 -0.01 0.00 -2.27 0.00 0.00 64.05 60.70 1jh3 n THR 74 Cb 0.00 -0.18 0.11 0.00 -2.10 0.00 0.00 70.33 68.16 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 0.79 1.10 -0.00 6.98 0.00 -1.92 -0.51 119.26 125.70 1jh3 h ALA 75 Ca -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1jh3 h ALA 75 Cb 0.61 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1jh3 h ALA 75 CO 0.28 0.31 -0.01 -1.91 0.00 0.00 0.00 179.25 177.92 1jh3 n GLU 76 N -4.60 1.13 0.00 0.00 0.00 -1.26 -0.57 120.64 115.34 1jh3 n GLU 76 Ca 0.11 -0.24 0.13 0.00 0.00 0.00 0.00 57.16 57.16 1jh3 n GLU 76 Cb 0.12 -1.49 0.45 0.00 0.00 0.00 0.00 31.44 30.51 1jh3 n GLU 76 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 1jh3 n HIS 77 N -0.72 0.00 0.05 4.31 -0.00 -0.23 -4.70 115.22 113.93 1jh3 n HIS 77 Ca 0.22 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.40 1jh3 n HIS 77 Cb 0.18 -0.09 0.00 0.00 -0.12 0.00 0.00 29.99 29.96 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 -0.44 0.00 -0.48 1.57 0.00 -0.74 -4.71 116.66 111.86 1jh3 n ARG 78 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.99 1jh3 n ARG 78 Cb 0.34 -0.22 0.00 0.00 0.00 0.00 0.00 32.46 32.58 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 -3.13 0.00 0.26 6.15 4.77 0.27 -4.90 117.00 120.42 1jh3 n LEU 79 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.11 1jh3 n LEU 79 Cb 0.00 0.00 0.69 0.00 -2.33 0.00 0.00 43.42 41.78 1jh3 n LEU 79 CO 0.00 -0.44 0.99 1.05 -1.33 0.00 0.00 177.39 177.66 1jh3 h GLU 80 N 0.00 0.00 0.00 3.23 4.11 -1.91 -3.40 114.58 116.61 1jh3 h GLU 80 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1jh3 h GLU 80 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1jh3 h GLU 80 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.49 1jh3 n GLY 81 N -1.23 0.76 2.06 1.06 0.00 -1.25 -4.86 105.19 101.73 1jh3 n GLY 81 Ca -0.02 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.62 1.61 1.74 -1.26 -4.81 116.66 112.32 1jh3 n ARG 82 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1jh3 n ARG 82 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 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 -3.41 0.00 -3.64 -1.55 3.01 -1.26 -4.30 117.46 106.31 1jh3 n PHE 83 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.38 1jh3 n PHE 83 Cb 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.40 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 -1.67 0.00 0.17 4.37 2.01 0.98 -4.44 115.64 117.06 1jh3 s THR 84 Ca 0.00 0.00 -0.26 0.00 0.31 0.00 0.00 61.69 61.74 1jh3 s THR 84 Cb 0.00 -1.00 -0.08 0.00 0.01 0.00 0.00 72.50 71.43 1jh3 s THR 84 CO 0.00 0.00 0.80 -0.69 -0.69 0.00 0.00 174.62 174.04 1jh3 s VAL 85 N 1.41 4.35 -0.29 3.82 1.01 -1.26 -1.17 120.40 128.25 1jh3 s VAL 85 Ca -0.08 1.76 -0.01 0.00 0.00 0.00 0.00 61.98 63.65 1jh3 s VAL 85 Cb -0.05 -4.17 0.09 0.00 0.00 0.00 0.00 36.38 32.26 1jh3 s VAL 85 CO -0.16 0.51 0.08 -0.63 0.00 0.00 0.00 175.10 174.90 1jh3 s ILE 86 N -1.08 0.94 -0.66 2.22 -1.09 0.01 -0.75 121.20 120.78 1jh3 s ILE 86 Ca 0.37 -1.33 -0.14 0.00 -2.23 0.00 0.00 60.65 57.31 1jh3 s ILE 86 Cb -0.23 -1.65 0.17 0.00 -1.58 0.00 0.00 42.46 39.17 1jh3 s ILE 86 CO 0.27 -0.58 0.60 -0.13 -1.23 0.00 0.00 174.94 173.87 1jh3 s ARG 87 N 1.60 3.21 -0.23 2.79 0.52 -0.13 -0.87 118.95 125.84 1jh3 s ARG 87 Ca 0.08 -2.05 -0.22 0.00 -0.52 0.00 0.00 55.73 53.01 1jh3 s ARG 87 Cb -0.17 -4.32 -0.02 0.00 0.52 0.00 0.00 34.95 30.96 1jh3 s ARG 87 CO -0.21 -1.30 0.71 0.50 0.02 0.00 0.00 175.30 175.01 1jh3 s ARG 88 N 0.94 4.17 -0.67 3.54 6.06 -0.59 -0.85 118.95 131.55 1jh3 s ARG 88 Ca 0.10 0.73 -0.26 0.00 -2.50 0.00 0.00 55.73 53.79 1jh3 s ARG 88 Cb -0.21 -3.63 -0.02 0.00 0.06 0.00 0.00 34.95 31.15 1jh3 s ARG 88 CO -0.02 -0.40 1.81 0.20 -2.50 0.00 0.00 175.30 174.39 1jh3 s GLY 89 N 1.34 0.27 0.00 8.12 0.00 0.51 -3.70 107.32 113.87 1jh3 s GLY 89 Ca 0.30 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 44.17 1jh3 s GLY 89 CO 0.09 3.35 0.00 0.28 0.00 0.00 0.00 173.10 176.81 1jh3 n LYS 90 N 9.16 0.00 0.00 2.90 5.02 -1.26 -4.90 118.16 129.08 1jh3 n LYS 90 Ca 0.21 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1jh3 n LYS 90 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 1jh3 n LYS 90 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1jh3 n LYS 91 N 0.00 0.00 0.00 1.97 0.00 -1.26 -4.95 118.16 113.92 1jh3 n LYS 91 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1jh3 n LYS 91 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 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 14.00 0.12 -3.87 -1.58 3.00 -1.24 -4.93 118.16 123.65 1jh3 n LYS 92 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.03 1jh3 n LYS 92 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 34.91 1jh3 n LYS 92 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1jh3 s TYR 93 N 1.70 3.32 0.73 5.64 2.02 -1.26 -1.55 117.35 127.96 1jh3 s TYR 93 Ca 0.00 -3.23 -0.11 0.00 -0.37 0.00 0.00 57.07 53.36 1jh3 s TYR 93 Cb 0.00 -2.60 0.03 0.00 -0.40 0.00 0.00 41.96 38.99 1jh3 s TYR 93 CO 0.00 -0.60 1.10 0.71 -1.57 0.00 0.00 175.55 175.19 1jh3 s TYR 94 N -1.12 3.20 -0.05 2.71 2.02 -0.05 -4.69 117.35 119.39 1jh3 s TYR 94 Ca 0.24 1.05 0.01 0.00 -0.37 0.00 0.00 57.07 57.99 1jh3 s TYR 94 Cb -0.08 -3.11 0.02 0.00 -0.40 0.00 0.00 41.96 38.39 1jh3 s TYR 94 CO -0.13 -1.34 -0.04 -1.17 -1.57 0.00 0.00 175.55 171.30 1jh3 s LEU 95 N -5.46 1.30 -0.05 -1.29 0.20 -1.20 -0.81 118.68 111.37 1jh3 s LEU 95 Ca 0.59 -0.13 0.05 0.00 0.69 0.00 0.00 54.13 55.33 1jh3 s LEU 95 Cb -0.12 -0.45 -0.00 0.00 -0.43 0.00 0.00 46.19 45.19 1jh3 s LEU 95 CO 0.52 -0.06 -0.19 -0.63 -0.29 0.00 0.00 176.35 175.70 1jh3 s ILE 96 N 0.97 1.56 0.40 6.68 1.09 -0.32 -0.75 121.20 130.82 1jh3 s ILE 96 Ca -0.10 -0.79 0.04 0.00 -1.10 0.00 0.00 60.65 58.70 1jh3 s ILE 96 Cb -0.14 -1.34 -0.02 0.00 -1.06 0.00 0.00 42.46 39.90 1jh3 s ILE 96 CO -0.00 0.45 0.16 0.00 -0.10 0.00 0.00 174.94 175.44 1jh3 s ARG 97 N 0.01 1.90 0.30 2.79 1.70 -0.08 -0.01 118.95 125.56 1jh3 s ARG 97 Ca -0.04 -2.15 0.10 0.00 -0.47 0.00 0.00 55.73 53.17 1jh3 s ARG 97 Cb -0.12 -0.44 -0.05 0.00 -0.57 0.00 0.00 34.95 33.77 1jh3 s ARG 97 CO 0.03 -0.52 -0.07 1.52 -1.08 0.00 0.00 175.30 175.18 1jh3 s TYR 98 N -3.26 2.50 -2.00 5.89 -0.85 -1.26 -1.63 117.35 116.75 1jh3 s TYR 98 Ca 0.26 -0.34 0.05 0.00 -0.52 0.00 0.00 57.07 56.52 1jh3 s TYR 98 Cb 0.02 -1.23 0.29 0.00 0.38 0.00 0.00 41.96 41.42 1jh3 s TYR 98 CO 0.17 0.61 0.77 0.00 -1.52 0.00 0.00 175.55 175.57