#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 -1.21 0.23 0.00 0.20 -1.26 -4.72 118.68 111.92 1jh3 s LEU 2 Ca 0.00 -0.44 0.08 0.00 0.69 0.00 0.00 54.13 54.46 1jh3 s LEU 2 Cb 0.00 1.61 -0.04 0.00 -0.43 0.00 0.00 46.19 47.33 1jh3 s LEU 2 CO 0.00 -0.27 0.09 0.12 -0.29 0.00 0.00 176.35 176.00 1jh3 s PHE 3 N 2.32 2.94 0.40 5.38 5.36 -1.26 -5.15 117.98 127.97 1jh3 s PHE 3 Ca 0.12 -0.14 0.04 0.00 -0.96 0.00 0.00 56.93 56.00 1jh3 s PHE 3 Cb -0.09 -1.34 -0.05 0.00 -0.34 0.00 0.00 43.02 41.19 1jh3 s PHE 3 CO -0.19 0.55 0.05 -1.54 -1.46 0.00 0.00 175.22 172.63 1jh3 s SER 4 N -3.55 3.21 0.00 6.13 1.04 -1.26 -4.54 113.70 114.72 1jh3 s SER 4 Ca 0.31 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 55.26 1jh3 s SER 4 Cb -0.08 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1jh3 s SER 4 CO 0.22 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.38 1jh3 n GLY 5 N -0.92 2.23 0.39 7.32 0.00 -1.26 -4.97 105.19 107.98 1jh3 n GLY 5 Ca -0.07 -0.41 -0.03 0.00 0.00 0.00 0.00 46.02 45.51 1jh3 n GLY 5 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jh3 n ASP 6 N 2.30 -0.11 -3.37 1.61 8.00 -1.26 -4.88 116.55 118.84 1jh3 n ASP 6 Ca 0.00 -1.00 -0.14 0.00 0.71 0.00 0.00 54.79 54.36 1jh3 n ASP 6 Cb 0.00 -0.10 -0.04 0.00 -0.02 0.00 0.00 41.12 40.96 1jh3 n ASP 6 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1jh3 n ILE 7 N -2.24 0.00 1.17 0.53 -6.64 -1.26 -4.66 119.36 106.25 1jh3 n ILE 7 Ca 0.02 -0.06 0.11 0.00 -1.77 0.00 0.00 62.75 61.04 1jh3 n ILE 7 Cb 0.06 -1.22 0.60 0.00 -1.44 0.00 0.00 39.64 37.63 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 5.66 2.21 0.20 -1.28 0.00 -1.26 -1.01 120.51 125.02 1jh3 n ALA 8 Ca 0.15 -0.12 0.09 0.00 0.00 0.00 0.00 53.44 53.56 1jh3 n ALA 8 Cb 0.16 -1.36 0.19 0.00 0.00 0.00 0.00 19.45 18.44 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 -3.03 0.00 2.35 -1.94 -3.30 115.58 109.66 1jh3 h ASN 9 Ca 0.00 0.00 -0.80 0.00 -0.55 0.00 0.00 56.30 54.95 1jh3 h ASN 9 Cb 0.14 0.00 -0.27 0.00 0.05 0.00 0.00 38.32 38.24 1jh3 h ASN 9 CO 0.00 0.17 0.76 0.18 -1.65 0.00 0.00 177.43 176.89 1jh3 n LEU 10 N -3.16 6.12 -4.90 1.61 4.32 -0.18 -4.83 117.00 115.98 1jh3 n LEU 10 Ca 0.03 -5.11 -0.28 0.00 -0.02 0.00 0.00 56.01 50.62 1jh3 n LEU 10 Cb 0.57 -1.36 0.05 0.00 -1.62 0.00 0.00 43.42 41.06 1jh3 n LEU 10 CO 0.35 1.54 0.66 0.42 -1.22 0.00 0.00 177.39 179.15 1jh3 s THR 11 N -2.04 3.24 0.04 -5.08 -4.23 -1.25 -4.88 115.64 101.45 1jh3 s THR 11 Ca 0.32 0.17 -0.20 0.00 -1.18 0.00 0.00 61.69 60.79 1jh3 s THR 11 Cb 0.00 -3.36 -0.14 0.00 1.34 0.00 0.00 72.50 70.34 1jh3 s THR 11 CO 0.04 -0.43 1.37 0.00 -0.54 0.00 0.00 174.62 175.06 1jh3 h ALA 12 N -0.52 0.22 -0.23 3.99 0.00 -1.96 0.46 119.26 121.22 1jh3 h ALA 12 Ca -0.45 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.08 1jh3 h ALA 12 Cb 1.27 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1jh3 h ALA 12 CO 0.62 0.08 -0.18 0.00 0.00 0.00 0.00 179.25 179.77 1jh3 h ALA 13 N 0.64 1.27 0.00 0.00 0.00 -1.95 -0.89 119.26 118.32 1jh3 h ALA 13 Ca 0.03 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1jh3 h ALA 13 Cb 0.62 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1jh3 h ALA 13 CO 0.03 0.48 -0.30 1.49 0.00 0.00 0.00 179.25 180.95 1jh3 h GLU 14 N 0.37 0.00 0.08 0.00 4.57 -1.75 -0.87 114.58 116.97 1jh3 h GLU 14 Ca 0.06 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1jh3 h GLU 14 Cb 0.53 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1jh3 h GLU 14 CO 0.03 0.30 -0.04 0.82 -1.18 0.00 0.00 179.01 178.95 1jh3 h ILE 15 N 0.00 0.46 -0.66 2.32 2.04 0.23 0.23 117.51 122.13 1jh3 h ILE 15 Ca -0.00 -1.22 0.11 0.00 1.00 0.00 0.00 64.86 64.75 1jh3 h ILE 15 Cb 0.95 0.84 -0.08 0.00 -0.74 0.00 0.00 36.82 37.79 1jh3 h ILE 15 CO 0.04 0.15 0.24 -0.33 0.00 0.00 0.00 178.15 178.25 1jh3 h GLU 16 N -1.00 0.40 0.00 2.37 4.39 -1.08 0.19 114.58 119.85 1jh3 h GLU 16 Ca -0.01 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1jh3 h GLU 16 Cb 0.32 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1jh3 h GLU 16 CO 0.02 0.26 -1.07 0.94 -1.16 0.00 0.00 179.01 178.00 1jh3 n GLN 17 N -5.01 0.55 -0.05 2.33 -0.06 -0.34 -2.14 117.38 112.67 1jh3 n GLN 17 Ca 0.11 0.08 -0.11 0.00 -2.00 0.00 0.00 57.00 55.07 1jh3 n GLN 17 Cb 0.32 -1.77 0.03 0.00 -4.06 0.00 0.00 30.24 24.77 1jh3 n GLN 17 CO 0.00 0.00 0.00 0.78 -0.20 0.00 0.00 177.06 177.64 1jh3 h GLY 18 N 4.09 0.78 -0.02 1.69 0.00 -0.05 -3.36 103.07 106.21 1jh3 h GLY 18 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.47 1jh3 h GLY 18 CO 0.00 0.77 -0.01 0.69 0.00 0.00 0.00 176.54 177.99 1jh3 n PHE 19 N -4.01 0.00 0.00 5.60 3.72 0.61 -4.67 117.46 118.72 1jh3 n PHE 19 Ca -0.03 -0.75 0.00 0.00 -0.05 0.00 0.00 57.45 56.62 1jh3 n PHE 19 Cb 0.58 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 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 -0.98 0.00 0.21 -1.08 4.81 -0.91 -2.21 118.16 118.00 1jh3 n LYS 20 Ca 0.08 0.02 0.11 0.00 -0.87 0.00 0.00 58.31 57.65 1jh3 n LYS 20 Cb 0.47 -1.50 0.20 0.00 0.02 0.00 0.00 35.03 34.22 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 -3.30 3.14 3.58 -1.89 -3.45 116.42 114.51 1jh3 h ASP 21 Ca 0.00 0.00 -0.43 0.00 0.42 0.00 0.00 57.03 57.02 1jh3 h ASP 21 Cb 0.00 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 40.91 1jh3 h ASP 21 CO 0.00 0.09 -0.73 -0.69 -2.88 0.00 0.00 179.24 175.03 1jh3 s VAL 22 N -3.23 1.66 0.93 2.25 1.01 -0.94 -5.09 120.40 117.00 1jh3 s VAL 22 Ca 0.06 -2.19 -0.15 0.00 0.00 0.00 0.00 61.98 59.70 1jh3 s VAL 22 Cb 0.06 -2.03 0.18 0.00 0.00 0.00 0.00 36.38 34.59 1jh3 s VAL 22 CO 0.67 -0.61 1.29 -2.16 0.00 0.00 0.00 175.10 174.29 1jh3 s PRO 23 N -3.66 0.87 0.35 2.72 0.04 -1.26 -4.84 135.00 129.21 1jh3 s PRO 23 Ca 0.22 -0.37 0.08 0.00 0.04 0.00 0.00 61.00 60.97 1jh3 s PRO 23 Cb -0.00 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 1jh3 s PRO 23 CO 0.06 -2.26 0.14 -1.54 0.04 0.00 0.00 177.00 173.44 1jh3 s SER 24 N -4.84 4.62 0.15 6.66 1.04 -1.26 -2.82 113.70 117.24 1jh3 s SER 24 Ca 0.72 -0.82 0.05 0.00 0.48 0.00 0.00 55.95 56.38 1jh3 s SER 24 Cb -0.05 -0.68 -0.04 0.00 0.10 0.00 0.00 66.02 65.35 1jh3 s SER 24 CO 0.52 -0.32 -0.12 0.12 0.98 0.00 0.00 173.24 174.42 1jh3 s PHE 25 N -2.45 1.38 -0.02 5.02 5.36 -0.36 -4.94 117.98 121.97 1jh3 s PHE 25 Ca 0.38 -0.65 0.02 0.00 -0.96 0.00 0.00 56.93 55.71 1jh3 s PHE 25 Cb -0.02 -0.69 0.01 0.00 -0.34 0.00 0.00 43.02 41.97 1jh3 s PHE 25 CO 0.22 0.15 -0.05 0.54 -1.46 0.00 0.00 175.22 174.62 1jh3 s VAL 26 N -2.82 0.47 0.13 3.12 0.11 -1.26 -0.58 120.40 119.59 1jh3 s VAL 26 Ca 0.14 -0.19 0.01 0.00 -2.93 0.00 0.00 61.98 59.01 1jh3 s VAL 26 Cb -0.01 -0.44 -0.00 0.00 -1.53 0.00 0.00 36.38 34.40 1jh3 s VAL 26 CO 0.02 0.16 0.03 0.00 -3.33 0.00 0.00 175.10 171.99 1jh3 n HIS 27 N 3.35 0.13 1.87 1.54 1.44 -0.58 -4.92 115.22 118.06 1jh3 n HIS 27 Ca -0.18 -0.78 0.05 0.00 -2.01 0.00 0.00 57.72 54.80 1jh3 n HIS 27 Cb 0.55 -0.03 0.29 0.00 0.12 0.00 0.00 29.99 30.92 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 -0.31 0.94 -0.26 -1.40 4.07 -1.26 -0.33 120.64 122.09 1jh3 n GLU 28 Ca -0.03 0.00 0.04 0.00 -0.06 0.00 0.00 57.16 57.10 1jh3 n GLU 28 Cb 0.19 -1.16 -0.01 0.00 -0.06 0.00 0.00 31.44 30.40 1jh3 n GLU 28 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1jh3 n GLY 29 N 0.58 -1.62 0.00 8.31 0.00 -1.26 -4.57 105.19 106.63 1jh3 n GLY 29 Ca 0.07 -1.22 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 -0.90 -2.92 3.65 -0.02 0.00 -1.26 -4.94 105.19 98.80 1jh3 n GLY 30 Ca 0.00 -1.10 -0.46 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.75 2.43 -3.66 1.61 5.75 -1.26 -4.86 116.55 115.82 1jh3 n ASP 31 Ca 0.00 1.14 -0.09 0.00 -0.01 0.00 0.00 54.79 55.83 1jh3 n ASP 31 Cb 0.00 -1.38 -0.08 0.00 -1.03 0.00 0.00 41.12 38.63 1jh3 n ASP 31 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1jh3 s VAL 32 N -0.07 -0.01 0.51 2.12 1.01 -1.26 -4.96 120.40 117.75 1jh3 s VAL 32 Ca 0.70 0.02 -0.19 0.00 0.00 0.00 0.00 61.98 62.51 1jh3 s VAL 32 Cb -0.70 -0.88 -0.07 0.00 0.00 0.00 0.00 36.38 34.72 1jh3 s VAL 32 CO 0.50 0.01 1.05 -2.16 0.00 0.00 0.00 175.10 174.49 1jh3 s PRO 33 N 1.36 3.69 0.32 2.72 0.04 -1.26 -3.72 135.00 138.16 1jh3 s PRO 33 Ca -0.08 1.34 0.10 0.00 0.04 0.00 0.00 61.00 62.40 1jh3 s PRO 33 Cb -0.06 -2.08 0.97 0.00 0.04 0.00 0.00 34.50 33.37 1jh3 s PRO 33 CO -0.15 -0.52 1.64 1.37 0.04 0.00 0.00 177.00 179.38 1jh3 h LEU 34 N 1.33 0.23 0.00 -3.56 8.10 -1.77 0.01 115.31 119.66 1jh3 h LEU 34 Ca -0.49 0.21 0.00 0.00 0.11 0.00 0.00 57.88 57.71 1jh3 h LEU 34 Cb 1.22 0.23 0.00 0.00 -0.44 0.00 0.00 40.66 41.67 1jh3 h LEU 34 CO 0.59 -0.20 0.00 0.55 -4.11 0.00 0.00 178.44 175.27 1jh3 n VAL 35 N -5.18 0.01 -0.09 0.15 3.14 -1.26 -1.31 118.33 113.80 1jh3 n VAL 35 Ca 0.28 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.56 1jh3 n VAL 35 Cb 0.90 -0.51 -0.10 0.00 -1.06 0.00 0.00 33.84 33.07 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 -1.28 0.94 0.23 1.45 -0.58 -0.15 -4.26 120.64 117.00 1jh3 n GLU 36 Ca 0.14 0.06 0.12 0.00 -0.42 0.00 0.00 57.16 57.07 1jh3 n GLU 36 Cb 0.24 -1.39 0.35 0.00 -0.57 0.00 0.00 31.44 30.07 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 0.00 0.00 -0.22 -4.62 8.10 -0.94 0.00 115.31 117.63 1jh3 h LEU 37 Ca -0.42 0.00 -0.19 0.00 0.11 0.00 0.00 57.88 57.38 1jh3 h LEU 37 Cb 1.79 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.98 1jh3 h LEU 37 CO -0.03 0.08 -0.90 0.17 -4.11 0.00 0.00 178.44 173.65 1jh3 h LEU 38 N 0.00 0.03 -0.02 0.17 -0.00 -1.45 0.96 115.31 115.01 1jh3 h LEU 38 Ca -0.00 -0.03 -0.05 0.00 -0.00 0.00 0.00 57.88 57.80 1jh3 h LEU 38 Cb 0.85 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.51 1jh3 h LEU 38 CO 0.01 0.91 -0.19 1.62 -0.00 0.00 0.00 178.44 180.80 1jh3 h VAL 39 N 0.01 1.51 -0.21 0.15 3.04 -1.45 0.28 116.25 119.58 1jh3 h VAL 39 Ca -0.02 -1.77 -0.00 0.00 -1.01 0.00 0.00 66.70 63.90 1jh3 h VAL 39 Cb 1.58 2.59 -0.01 0.00 -2.01 0.00 0.00 31.29 33.45 1jh3 h VAL 39 CO 0.12 0.48 0.12 -1.28 -1.01 0.00 0.00 177.57 176.00 1jh3 h SER 40 N -0.46 0.26 1.02 3.17 0.87 -1.14 -2.99 113.55 114.29 1jh3 h SER 40 Ca -0.02 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1jh3 h SER 40 Cb 0.89 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 1jh3 h SER 40 CO 0.04 0.27 0.00 0.00 -0.53 0.00 0.00 176.83 176.61 1jh3 n ALA 41 N -2.19 2.24 -1.71 6.23 0.00 0.33 -4.90 120.51 120.51 1jh3 n ALA 41 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1jh3 n ALA 41 Cb 0.07 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1jh3 n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jh3 n GLY 42 N 1.29 0.82 0.07 0.00 0.00 0.75 -4.85 105.19 103.28 1jh3 n GLY 42 Ca 0.06 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.82 -0.61 5.03 -1.14 -3.44 117.51 117.03 1jh3 h ILE 43 Ca 0.00 -2.01 -0.17 0.00 -0.12 0.00 0.00 64.86 62.56 1jh3 h ILE 43 Cb 0.78 2.78 -0.29 0.00 -3.03 0.00 0.00 36.82 37.06 1jh3 h ILE 43 CO 0.00 0.49 -0.50 -0.44 -0.68 0.00 0.00 178.15 177.01 1jh3 s SER 44 N -6.05 0.34 0.09 1.72 0.01 -1.19 -5.02 113.70 103.60 1jh3 s SER 44 Ca -0.16 -0.04 0.26 0.00 1.31 0.00 0.00 55.95 57.32 1jh3 s SER 44 Cb -0.02 1.10 0.73 0.00 0.21 0.00 0.00 66.02 68.04 1jh3 s SER 44 CO 0.60 -0.32 1.62 -0.81 0.41 0.00 0.00 173.24 174.73 1jh3 n PRO 45 N 5.36 0.15 -2.98 12.44 -0.04 -1.26 -3.87 135.00 144.80 1jh3 n PRO 45 Ca -0.02 0.08 -0.42 0.00 -0.04 0.00 0.00 63.50 63.10 1jh3 n PRO 45 Cb 0.50 -1.64 -0.05 0.00 -0.04 0.00 0.00 33.50 32.27 1jh3 n PRO 45 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1jh3 s SER 46 N -3.76 6.58 0.42 3.54 0.15 -1.26 -4.91 113.70 114.46 1jh3 s SER 46 Ca 0.10 0.47 0.18 0.00 0.70 0.00 0.00 55.95 57.40 1jh3 s SER 46 Cb 0.15 -2.39 1.09 0.00 -1.71 0.00 0.00 66.02 63.16 1jh3 s SER 46 CO 0.63 -0.65 1.86 0.11 1.20 0.00 0.00 173.24 176.39 1jh3 h LYS 47 N 8.31 0.39 0.41 5.44 1.57 -1.98 0.26 116.57 130.96 1jh3 h LYS 47 Ca -0.25 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 1jh3 h LYS 47 Cb 1.10 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1jh3 h LYS 47 CO 0.89 0.26 -0.20 -0.09 -0.57 0.00 0.00 179.45 179.73 1jh3 h ARG 48 N 0.40 -0.53 -0.29 3.15 1.12 -1.96 -1.18 114.38 115.09 1jh3 h ARG 48 Ca 0.47 0.04 0.04 0.00 -1.11 0.00 0.00 59.98 59.41 1jh3 h ARG 48 Cb 1.18 0.12 -0.03 0.00 -0.01 0.00 0.00 29.97 31.22 1jh3 h ARG 48 CO -0.17 -0.27 0.08 1.96 -3.11 0.00 0.00 179.97 178.45 1jh3 h GLN 49 N -0.70 0.19 -0.22 0.20 1.08 -1.19 -1.41 115.11 113.07 1jh3 h GLN 49 Ca -0.06 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.18 1jh3 h GLN 49 Cb 0.50 -0.04 -0.07 0.00 -0.05 0.00 0.00 27.48 27.81 1jh3 h GLN 49 CO 0.09 0.13 -0.50 0.00 -0.95 0.00 0.00 178.83 177.60 1jh3 h ALA 50 N 1.20 -0.72 0.00 3.87 0.00 -0.60 0.38 119.26 123.39 1jh3 h ALA 50 Ca 0.13 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1jh3 h ALA 50 Cb 0.12 0.95 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1jh3 h ALA 50 CO -0.16 -1.01 -0.28 0.00 0.00 0.00 0.00 179.25 177.80 1jh3 h ARG 51 N -0.49 0.00 0.09 0.00 3.08 -0.79 0.10 114.38 116.37 1jh3 h ARG 51 Ca 0.07 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.84 1jh3 h ARG 51 Cb 0.64 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 1jh3 h ARG 51 CO -0.47 0.28 -1.39 1.49 -1.07 0.00 0.00 179.97 178.81 1jh3 h GLU 52 N 0.00 0.20 0.00 0.04 4.81 -0.86 0.13 114.58 118.89 1jh3 h GLU 52 Ca -0.00 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1jh3 h GLU 52 Cb 0.59 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1jh3 h GLU 52 CO 0.04 1.07 0.00 -0.44 -0.73 0.00 0.00 179.01 178.95 1jh3 h ASP 53 N 0.05 0.00 0.00 1.04 5.19 0.53 0.74 116.42 123.98 1jh3 h ASP 53 Ca -0.18 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.04 1jh3 h ASP 53 Cb 1.97 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 41.45 1jh3 h ASP 53 CO 0.16 0.00 -1.23 -0.38 -3.12 0.00 0.00 179.24 174.67 1jh3 n ILE 54 N -2.58 1.50 0.86 0.35 -0.00 0.27 -4.50 119.36 115.27 1jh3 n ILE 54 Ca -0.00 0.00 0.09 0.00 -0.00 0.00 0.00 62.75 62.83 1jh3 n ILE 54 Cb 0.15 -2.14 0.45 0.00 -0.00 0.00 0.00 39.64 38.10 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 -4.46 0.28 -2.77 0.38 6.02 0.43 -4.29 117.38 112.98 1jh3 n GLN 55 Ca -0.27 0.11 -0.41 0.00 -0.01 0.00 0.00 57.00 56.42 1jh3 n GLN 55 Cb 0.58 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.29 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 -2.51 7.51 0.00 1.08 0.02 0.22 -4.90 114.94 116.36 1jh3 s ASN 56 Ca 0.18 1.80 0.00 0.00 -1.02 0.00 0.00 52.86 53.82 1jh3 s ASN 56 Cb 0.12 -2.58 0.00 0.00 0.02 0.00 0.00 41.25 38.81 1jh3 s ASN 56 CO 0.26 0.02 0.95 0.61 0.02 0.00 0.00 177.10 178.97 1jh3 n GLY 57 N 2.00 1.57 0.00 0.66 0.00 -1.26 -1.51 105.19 106.64 1jh3 n GLY 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.04 2.31 -3.01 4.61 0.00 -1.26 -4.88 120.51 119.33 1jh3 n ALA 58 Ca 0.00 -0.49 -0.44 0.00 0.00 0.00 0.00 53.44 52.51 1jh3 n ALA 58 Cb 0.34 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.04 4.65 -0.55 0.00 -1.16 -0.57 -0.57 121.20 122.97 1jh3 s ILE 59 Ca 0.00 -0.87 -0.23 0.00 -0.51 0.00 0.00 60.65 59.04 1jh3 s ILE 59 Cb 0.00 -4.59 0.05 0.00 0.61 0.00 0.00 42.46 38.53 1jh3 s ILE 59 CO 0.00 -1.28 0.85 -0.31 -2.81 0.00 0.00 174.94 171.39 1jh3 s TYR 60 N 3.11 2.86 -0.08 3.50 1.51 -0.35 -1.73 117.35 126.17 1jh3 s TYR 60 Ca 0.18 -0.21 -0.22 0.00 -1.01 0.00 0.00 57.07 55.81 1jh3 s TYR 60 Cb -0.19 -3.94 -0.04 0.00 -0.11 0.00 0.00 41.96 37.68 1jh3 s TYR 60 CO 0.06 -1.28 0.62 0.08 -1.11 0.00 0.00 175.55 173.91 1jh3 s VAL 61 N 3.58 5.08 -1.57 0.71 1.01 0.80 -0.80 120.40 129.22 1jh3 s VAL 61 Ca 0.25 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.51 1jh3 s VAL 61 Cb -0.15 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1jh3 s VAL 61 CO 0.16 0.29 0.00 0.59 0.00 0.00 0.00 175.10 176.14 1jh3 n ASN 62 N 3.67 -4.88 0.00 3.32 3.02 -0.66 -0.50 115.26 119.23 1jh3 n ASN 62 Ca -0.03 0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 1jh3 n ASN 62 Cb 0.51 -4.08 0.00 0.00 -0.61 0.00 0.00 39.78 35.61 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 -0.11 0.59 3.17 7.41 0.00 -1.24 -4.97 105.19 110.04 1jh3 n GLY 63 Ca -0.15 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.44 3.04 -0.19 1.61 2.56 0.35 -4.95 118.70 120.68 1jh3 s GLU 64 Ca 0.00 -0.83 -0.28 0.00 0.00 0.00 0.00 54.97 53.86 1jh3 s GLU 64 Cb 0.00 -2.52 -0.05 0.00 2.00 0.00 0.00 34.13 33.56 1jh3 s GLU 64 CO 0.00 -0.08 2.09 0.50 -0.56 0.00 0.00 175.26 177.21 1jh3 s ARG 65 N 0.99 3.37 -0.22 4.30 3.00 -1.26 -0.14 118.95 128.99 1jh3 s ARG 65 Ca -0.03 2.04 -0.04 0.00 -1.00 0.00 0.00 55.73 56.71 1jh3 s ARG 65 Cb -0.15 -4.30 0.10 0.00 0.00 0.00 0.00 34.95 30.60 1jh3 s ARG 65 CO -0.05 -1.83 0.22 -0.51 0.00 0.00 0.00 175.30 173.12 1jh3 s LEU 66 N 7.30 -0.07 -0.12 -0.88 1.43 -0.70 -4.92 118.68 120.72 1jh3 s LEU 66 Ca 0.94 -0.36 0.19 0.00 -1.03 0.00 0.00 54.13 53.87 1jh3 s LEU 66 Cb -0.33 0.33 0.43 0.00 0.03 0.00 0.00 46.19 46.65 1jh3 s LEU 66 CO 0.36 -0.34 1.19 0.00 0.23 0.00 0.00 176.35 177.78 1jh3 n GLN 67 N 5.31 0.99 -3.99 1.70 0.00 -1.26 -4.67 117.38 115.46 1jh3 n GLN 67 Ca -0.05 -2.76 -0.08 0.00 0.00 0.00 0.00 57.00 54.10 1jh3 n GLN 67 Cb 0.49 -0.90 -0.09 0.00 0.00 0.00 0.00 30.24 29.73 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 -2.73 0.30 0.32 2.61 2.15 -1.26 -4.00 116.67 114.06 1jh3 s ASP 68 Ca 0.36 -0.74 -0.29 0.00 0.43 0.00 0.00 52.55 52.31 1jh3 s ASP 68 Cb 0.38 0.22 -0.11 0.00 -0.30 0.00 0.00 42.92 43.11 1jh3 s ASP 68 CO -0.11 -0.56 1.48 0.54 -0.17 0.00 0.00 175.17 176.35 1jh3 s VAL 69 N -3.22 2.31 0.00 1.11 0.11 -1.26 -1.65 120.40 117.80 1jh3 s VAL 69 Ca 0.00 0.28 0.00 0.00 -2.93 0.00 0.00 61.98 59.34 1jh3 s VAL 69 Cb 0.03 -3.18 0.00 0.00 -1.53 0.00 0.00 36.38 31.70 1jh3 s VAL 69 CO -0.07 0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.36 1jh3 n GLY 70 N 1.40 2.59 0.09 6.54 0.00 -1.26 -4.81 105.19 109.74 1jh3 n GLY 70 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 -0.07 -3.37 4.61 0.00 -1.72 -3.47 119.26 115.24 1jh3 h ALA 71 Ca 0.00 -0.29 -0.21 0.00 0.00 0.00 0.00 54.91 54.41 1jh3 h ALA 71 Cb 0.00 0.03 -0.25 0.00 0.00 0.00 0.00 17.79 17.57 1jh3 h ALA 71 CO 0.00 -0.11 -0.71 0.42 0.00 0.00 0.00 179.25 178.85 1jh3 s ILE 72 N -2.56 0.10 0.00 0.00 1.09 -1.20 -4.88 121.20 113.75 1jh3 s ILE 72 Ca -0.13 -0.48 0.00 0.00 -1.10 0.00 0.00 60.65 58.95 1jh3 s ILE 72 Cb -0.01 -0.17 0.00 0.00 -1.06 0.00 0.00 42.46 41.22 1jh3 s ILE 72 CO 0.46 -0.24 0.00 0.18 -0.10 0.00 0.00 174.94 175.25 1jh3 n LEU 73 N 2.33 0.00 0.00 2.97 4.77 -1.26 -3.37 117.00 122.44 1jh3 n LEU 73 Ca -0.18 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.69 1jh3 n LEU 73 Cb 0.57 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.70 1jh3 n LEU 73 CO 0.23 0.00 0.21 0.35 -1.33 0.00 0.00 177.39 176.85 1jh3 n THR 74 N 0.00 0.00 -0.30 -5.08 -2.24 -1.24 -4.44 114.28 100.97 1jh3 n THR 74 Ca 0.00 -1.11 -0.02 0.00 -2.27 0.00 0.00 64.05 60.65 1jh3 n THR 74 Cb 0.00 -0.73 0.11 0.00 -2.10 0.00 0.00 70.33 67.61 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 0.27 1.10 0.00 6.98 0.00 -1.91 -1.83 119.26 123.87 1jh3 h ALA 75 Ca -0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1jh3 h ALA 75 Cb 0.72 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1jh3 h ALA 75 CO 0.22 0.36 0.00 -1.91 0.00 0.00 0.00 179.25 177.92 1jh3 n GLU 76 N -4.57 0.21 0.00 0.00 2.13 -1.26 -0.08 120.64 117.07 1jh3 n GLU 76 Ca 0.10 0.07 0.12 0.00 0.66 0.00 0.00 57.16 58.12 1jh3 n GLU 76 Cb 0.09 -1.50 0.27 0.00 0.27 0.00 0.00 31.44 30.58 1jh3 n GLU 76 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1jh3 n HIS 77 N -1.37 0.00 0.02 4.31 -0.00 -0.72 -4.62 115.22 112.84 1jh3 n HIS 77 Ca 0.09 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.27 1jh3 n HIS 77 Cb 0.23 -0.08 0.00 0.00 -0.12 0.00 0.00 29.99 30.02 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 -0.45 0.00 -1.04 1.57 0.00 -0.33 -4.68 116.66 111.73 1jh3 n ARG 78 Ca 0.12 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.90 1jh3 n ARG 78 Cb 0.38 -0.24 0.04 0.00 0.00 0.00 0.00 32.46 32.64 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 -2.98 0.00 0.26 6.15 4.77 0.88 -4.88 117.00 121.21 1jh3 n LEU 79 Ca 0.00 -0.55 0.09 0.00 -0.03 0.00 0.00 56.01 55.52 1jh3 n LEU 79 Cb 0.00 -0.20 0.51 0.00 -2.33 0.00 0.00 43.42 41.40 1jh3 n LEU 79 CO 0.00 -0.66 0.97 1.05 -1.33 0.00 0.00 177.39 177.42 1jh3 h GLU 80 N 0.00 0.00 0.00 3.23 4.11 -1.86 -3.34 114.58 116.72 1jh3 h GLU 80 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.33 1jh3 h GLU 80 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1jh3 h GLU 80 CO 0.10 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.59 1jh3 n GLY 81 N -1.28 0.75 2.03 1.06 0.00 -1.23 -4.72 105.19 101.80 1jh3 n GLY 81 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.03 1.61 1.74 -1.26 -4.81 116.66 110.90 1jh3 n ARG 82 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1jh3 n ARG 82 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 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 -3.14 0.02 -3.60 -1.55 3.01 -1.26 -4.35 117.46 106.59 1jh3 n PHE 83 Ca 0.00 -1.14 -0.10 0.00 1.01 0.00 0.00 57.45 57.23 1jh3 n PHE 83 Cb 0.00 0.01 -0.02 0.00 -0.01 0.00 0.00 39.48 39.46 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 -2.24 0.00 0.02 4.37 2.01 0.09 -4.42 115.64 115.47 1jh3 s THR 84 Ca 0.10 -0.40 0.03 0.00 0.31 0.00 0.00 61.69 61.73 1jh3 s THR 84 Cb 0.00 -1.41 -0.01 0.00 0.01 0.00 0.00 72.50 71.09 1jh3 s THR 84 CO 0.07 0.00 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.22 1jh3 s VAL 85 N -3.75 0.65 -0.35 3.82 1.01 -1.26 -1.34 120.40 119.17 1jh3 s VAL 85 Ca 0.05 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1jh3 s VAL 85 Cb -0.03 -0.60 0.11 0.00 0.00 0.00 0.00 36.38 35.85 1jh3 s VAL 85 CO -0.05 -0.03 0.10 -0.63 0.00 0.00 0.00 175.10 174.49 1jh3 s ILE 86 N -0.64 1.73 -1.02 2.22 -1.09 0.29 -1.66 121.20 121.03 1jh3 s ILE 86 Ca -0.01 -2.11 -0.13 0.00 -2.23 0.00 0.00 60.65 56.17 1jh3 s ILE 86 Cb -0.06 -2.28 0.22 0.00 -1.58 0.00 0.00 42.46 38.76 1jh3 s ILE 86 CO 0.00 -0.67 1.08 -0.60 -1.23 0.00 0.00 174.94 173.53 1jh3 s ARG 87 N 1.02 3.91 -0.38 2.79 3.00 0.02 -0.87 118.95 128.45 1jh3 s ARG 87 Ca 0.12 -2.63 -0.27 0.00 -1.00 0.00 0.00 55.73 51.94 1jh3 s ARG 87 Cb -0.19 -4.68 0.02 0.00 0.00 0.00 0.00 34.95 30.09 1jh3 s ARG 87 CO -0.13 -1.45 1.01 0.50 0.00 0.00 0.00 175.30 175.23 1jh3 s ARG 88 N 0.38 3.88 0.00 5.12 6.06 -0.36 -1.21 118.95 132.82 1jh3 s ARG 88 Ca 0.30 0.71 0.01 0.00 -2.50 0.00 0.00 55.73 54.25 1jh3 s ARG 88 Cb -0.08 -3.81 0.06 0.00 0.06 0.00 0.00 34.95 31.19 1jh3 s ARG 88 CO -0.07 -1.02 0.47 0.41 -2.50 0.00 0.00 175.30 172.59 1jh3 n GLY 89 N 4.33 -0.04 0.14 8.12 0.00 0.27 -1.34 105.19 116.66 1jh3 n GLY 89 Ca 0.09 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 1jh3 n GLY 89 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1jh3 h LYS 90 N 0.00 0.36 0.00 1.61 1.63 -1.92 -3.46 116.57 114.80 1jh3 h LYS 90 Ca 0.00 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 1jh3 h LYS 90 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1jh3 h LYS 90 CO 0.00 0.73 0.00 1.17 -3.45 0.00 0.00 179.45 177.90 1jh3 n LYS 91 N -4.56 0.00 0.00 1.90 4.81 -0.45 -5.19 118.16 114.67 1jh3 n LYS 91 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 1jh3 n LYS 91 Cb 0.35 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.40 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 -3.32 1.64 3.00 -0.98 -4.92 118.16 113.58 1jh3 n LYS 92 Ca 0.00 0.00 -0.46 0.00 -0.00 0.00 0.00 58.31 57.85 1jh3 n LYS 92 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.02 1jh3 n LYS 92 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.40 178.92 1jh3 s TYR 93 N -2.41 4.05 0.62 5.64 1.13 -1.25 -1.22 117.35 123.92 1jh3 s TYR 93 Ca 0.00 -2.41 -0.12 0.00 -1.41 0.00 0.00 57.07 53.13 1jh3 s TYR 93 Cb 0.00 -3.86 -0.03 0.00 -1.10 0.00 0.00 41.96 36.97 1jh3 s TYR 93 CO 0.00 -0.99 1.03 0.71 -2.51 0.00 0.00 175.55 173.79 1jh3 s TYR 94 N -0.60 3.44 -0.08 -3.49 1.51 -0.05 -4.50 117.35 113.59 1jh3 s TYR 94 Ca 0.27 1.36 0.03 0.00 -1.01 0.00 0.00 57.07 57.71 1jh3 s TYR 94 Cb -0.10 -2.78 0.01 0.00 -0.11 0.00 0.00 41.96 38.98 1jh3 s TYR 94 CO -0.08 -0.80 -0.15 -1.17 -1.11 0.00 0.00 175.55 172.23 1jh3 s LEU 95 N -5.08 1.76 -0.15 -1.29 0.20 -1.13 -0.54 118.68 112.44 1jh3 s LEU 95 Ca 0.57 -0.37 0.02 0.00 0.69 0.00 0.00 54.13 55.03 1jh3 s LEU 95 Cb -0.12 -0.98 0.02 0.00 -0.43 0.00 0.00 46.19 44.67 1jh3 s LEU 95 CO 0.50 0.07 -0.20 -0.63 -0.29 0.00 0.00 176.35 175.80 1jh3 s ILE 96 N 0.59 1.97 0.34 6.68 -1.09 -0.45 -1.22 121.20 128.02 1jh3 s ILE 96 Ca -0.16 -0.91 0.04 0.00 -2.23 0.00 0.00 60.65 57.39 1jh3 s ILE 96 Cb -0.16 -1.77 -0.05 0.00 -1.58 0.00 0.00 42.46 38.89 1jh3 s ILE 96 CO 0.05 0.53 0.07 0.00 -1.23 0.00 0.00 174.94 174.36 1jh3 s ARG 97 N 1.08 1.71 0.06 2.79 1.70 0.26 -0.73 118.95 125.82 1jh3 s ARG 97 Ca -0.01 -1.97 -0.05 0.00 -0.47 0.00 0.00 55.73 53.23 1jh3 s ARG 97 Cb -0.14 -0.80 -0.02 0.00 -0.57 0.00 0.00 34.95 33.42 1jh3 s ARG 97 CO -0.07 -0.26 0.08 0.71 -1.08 0.00 0.00 175.30 174.68 1jh3 s TYR 98 N -3.29 0.30 -2.00 5.89 1.51 -1.26 -1.53 117.35 116.96 1jh3 s TYR 98 Ca 0.33 -0.73 0.10 0.00 -1.01 0.00 0.00 57.07 55.76 1jh3 s TYR 98 Cb 0.07 -0.20 0.58 0.00 -0.11 0.00 0.00 41.96 42.30 1jh3 s TYR 98 CO 0.15 -0.43 1.02 0.00 -1.11 0.00 0.00 175.55 175.18