#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 -0.23 -4.09 0.00 0.00 -1.26 -4.78 117.00 106.64 1jh3 n LEU 2 Ca 0.00 -4.49 -0.08 0.00 0.00 0.00 0.00 56.01 51.44 1jh3 n LEU 2 Cb 0.00 0.57 -0.10 0.00 0.00 0.00 0.00 43.42 43.89 1jh3 n LEU 2 CO 0.00 1.93 -0.30 -0.36 0.00 0.00 0.00 177.39 178.67 1jh3 s PHE 3 N -0.39 0.64 0.44 1.96 0.08 -1.26 -5.08 117.98 114.36 1jh3 s PHE 3 Ca 0.34 -1.10 0.21 0.00 0.12 0.00 0.00 56.93 56.50 1jh3 s PHE 3 Cb 0.09 -0.39 1.18 0.00 -0.57 0.00 0.00 43.02 43.32 1jh3 s PHE 3 CO -0.17 -0.47 1.83 0.66 -0.10 0.00 0.00 175.22 176.97 1jh3 h SER 4 N 2.97 0.34 0.00 1.36 4.64 -1.98 -3.42 113.55 117.46 1jh3 h SER 4 Ca -0.34 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1jh3 h SER 4 Cb 1.17 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1jh3 h SER 4 CO 0.62 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 177.29 1jh3 n GLY 5 N -1.55 1.27 0.00 -0.77 0.00 -1.26 -3.55 105.19 99.34 1jh3 n GLY 5 Ca 0.22 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.61 0.00 -3.75 1.61 9.92 -1.26 -4.76 116.55 115.70 1jh3 n ASP 6 Ca 0.00 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.84 1jh3 n ASP 6 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1jh3 n ASP 6 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1jh3 n ILE 7 N 0.00 4.77 0.51 0.53 -0.00 -1.26 -4.64 119.36 119.26 1jh3 n ILE 7 Ca 0.00 -4.57 0.06 0.00 -0.00 0.00 0.00 62.75 58.23 1jh3 n ILE 7 Cb 0.00 -2.22 0.28 0.00 -0.00 0.00 0.00 39.64 37.70 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 2.85 1.66 0.78 -1.28 0.00 -1.23 -1.20 120.51 122.08 1jh3 n ALA 8 Ca 0.45 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.97 1jh3 n ALA 8 Cb 0.32 -1.18 0.50 0.00 0.00 0.00 0.00 19.45 19.09 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 -1.32 0.33 -3.17 0.00 3.02 -1.26 -3.79 115.26 109.08 1jh3 n ASN 9 Ca 0.05 0.54 -0.26 0.00 -0.03 0.00 0.00 54.58 54.88 1jh3 n ASN 9 Cb 0.10 -0.63 -0.06 0.00 -0.61 0.00 0.00 39.78 38.58 1jh3 n ASN 9 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1jh3 n LEU 10 N -1.82 3.53 -4.88 3.41 4.32 -0.34 -4.83 117.00 116.39 1jh3 n LEU 10 Ca 0.06 -5.45 -0.29 0.00 -0.02 0.00 0.00 56.01 50.30 1jh3 n LEU 10 Cb 0.35 -0.38 0.12 0.00 -1.62 0.00 0.00 43.42 41.88 1jh3 n LEU 10 CO 0.26 2.22 0.79 0.42 -1.22 0.00 0.00 177.39 179.86 1jh3 s THR 11 N -3.26 1.99 0.09 -5.08 -4.23 -1.25 -4.82 115.64 99.08 1jh3 s THR 11 Ca 0.44 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.86 1jh3 s THR 11 Cb 0.23 -2.95 -0.25 0.00 1.34 0.00 0.00 72.50 70.87 1jh3 s THR 11 CO -0.08 0.00 1.18 0.00 -0.54 0.00 0.00 174.62 175.18 1jh3 h ALA 12 N -1.26 0.15 -0.58 3.99 0.00 -1.96 0.16 119.26 119.75 1jh3 h ALA 12 Ca -0.46 -0.79 -0.06 0.00 0.00 0.00 0.00 54.91 53.60 1jh3 h ALA 12 Cb 1.31 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1jh3 h ALA 12 CO 0.60 0.82 0.13 0.00 0.00 0.00 0.00 179.25 180.80 1jh3 h ALA 13 N 0.53 1.14 -0.11 0.00 0.00 -1.98 -1.85 119.26 116.97 1jh3 h ALA 13 Ca -0.14 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.40 1jh3 h ALA 13 Cb 1.83 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 19.39 1jh3 h ALA 13 CO 0.20 0.58 -0.52 0.93 0.00 0.00 0.00 179.25 180.45 1jh3 h GLU 14 N 0.87 0.55 0.04 0.00 3.07 -1.80 -0.74 114.58 116.56 1jh3 h GLU 14 Ca 0.19 -0.44 -0.00 0.00 -0.50 0.00 0.00 59.36 58.60 1jh3 h GLU 14 Cb 0.33 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1jh3 h GLU 14 CO 0.00 1.07 -0.02 0.82 -1.40 0.00 0.00 179.01 179.48 1jh3 h ILE 15 N 0.17 1.19 0.00 3.13 2.04 -0.75 0.18 117.51 123.46 1jh3 h ILE 15 Ca -0.03 -0.71 0.01 0.00 1.00 0.00 0.00 64.86 65.13 1jh3 h ILE 15 Cb 1.16 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.88 1jh3 h ILE 15 CO 0.11 0.18 -0.07 -0.33 0.00 0.00 0.00 178.15 178.03 1jh3 h GLU 16 N -0.36 -0.13 0.00 2.37 4.39 -1.14 0.15 114.58 119.87 1jh3 h GLU 16 Ca -0.00 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1jh3 h GLU 16 Cb 0.33 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1jh3 h GLU 16 CO 0.01 -0.09 -0.29 0.37 -1.16 0.00 0.00 179.01 177.85 1jh3 h GLN 17 N -0.13 0.00 -0.69 2.33 5.75 -1.22 0.11 115.11 121.26 1jh3 h GLN 17 Ca 0.03 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.48 1jh3 h GLN 17 Cb 0.17 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.69 1jh3 h GLN 17 CO -0.08 0.29 0.26 0.78 -2.65 0.00 0.00 178.83 177.44 1jh3 h GLY 18 N 3.66 1.12 -0.13 2.39 0.00 0.00 -3.34 103.07 106.76 1jh3 h GLY 18 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.70 1jh3 h GLY 18 CO 0.04 0.59 -0.07 0.69 0.00 0.00 0.00 176.54 177.79 1jh3 n PHE 19 N -4.36 0.00 0.00 5.60 3.72 0.47 -4.62 117.46 118.27 1jh3 n PHE 19 Ca 0.05 -0.41 0.00 0.00 -0.05 0.00 0.00 57.45 57.04 1jh3 n PHE 19 Cb 0.19 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 1jh3 n PHE 19 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1jh3 n LYS 20 N -0.51 0.00 0.11 -1.08 5.02 0.37 -2.03 118.16 120.04 1jh3 n LYS 20 Ca 0.03 0.28 -0.02 0.00 -2.02 0.00 0.00 58.31 56.59 1jh3 n LYS 20 Cb 0.46 -1.63 0.01 0.00 -0.02 0.00 0.00 35.03 33.85 1jh3 n LYS 20 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1jh3 h ASP 21 N 0.00 0.00 -3.68 4.39 3.58 -1.86 -3.47 116.42 115.39 1jh3 h ASP 21 Ca 0.00 0.00 -0.46 0.00 0.42 0.00 0.00 57.03 56.99 1jh3 h ASP 21 Cb 0.25 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 41.17 1jh3 h ASP 21 CO 0.00 0.72 -0.57 0.54 -2.88 0.00 0.00 179.24 177.04 1jh3 s VAL 22 N -2.98 0.76 1.02 2.25 0.11 -0.86 -5.16 120.40 115.54 1jh3 s VAL 22 Ca 0.02 -2.00 -0.17 0.00 -2.93 0.00 0.00 61.98 56.90 1jh3 s VAL 22 Cb 0.09 -2.59 0.22 0.00 -1.53 0.00 0.00 36.38 32.58 1jh3 s VAL 22 CO 0.77 0.00 1.26 -2.16 -3.33 0.00 0.00 175.10 171.64 1jh3 s PRO 23 N -3.86 0.19 0.20 1.54 0.04 -1.26 -4.96 135.00 126.89 1jh3 s PRO 23 Ca 0.33 -0.28 0.01 0.00 0.04 0.00 0.00 61.00 61.09 1jh3 s PRO 23 Cb 0.06 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.77 1jh3 s PRO 23 CO 0.15 -2.74 0.07 -1.54 0.04 0.00 0.00 177.00 172.98 1jh3 s SER 24 N -4.59 0.88 0.08 6.66 1.04 -1.26 -3.43 113.70 113.08 1jh3 s SER 24 Ca 0.72 -1.30 0.03 0.00 0.48 0.00 0.00 55.95 55.88 1jh3 s SER 24 Cb -0.06 0.21 -0.03 0.00 0.10 0.00 0.00 66.02 66.24 1jh3 s SER 24 CO 0.54 -0.70 -0.08 0.12 0.98 0.00 0.00 173.24 174.09 1jh3 s PHE 25 N -3.84 0.88 -0.03 5.02 5.36 -0.01 -4.97 117.98 120.39 1jh3 s PHE 25 Ca 0.32 -0.70 0.01 0.00 -0.96 0.00 0.00 56.93 55.60 1jh3 s PHE 25 Cb 0.07 -0.50 0.02 0.00 -0.34 0.00 0.00 43.02 42.27 1jh3 s PHE 25 CO 0.09 -0.08 -0.02 0.54 -1.46 0.00 0.00 175.22 174.29 1jh3 s VAL 26 N -2.54 0.31 0.48 3.12 0.11 -1.25 -0.62 120.40 120.01 1jh3 s VAL 26 Ca 0.03 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.11 1jh3 s VAL 26 Cb -0.02 -0.38 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 1jh3 s VAL 26 CO -0.02 0.17 0.02 -1.38 -3.33 0.00 0.00 175.10 170.56 1jh3 s HIS 27 N 0.96 1.97 0.00 1.54 -3.43 -0.64 -4.92 115.29 110.78 1jh3 s HIS 27 Ca -0.11 -0.94 0.00 0.00 -0.80 0.00 0.00 55.06 53.22 1jh3 s HIS 27 Cb -0.14 -1.59 0.00 0.00 -1.43 0.00 0.00 32.58 29.42 1jh3 s HIS 27 CO -0.01 0.22 1.16 -1.91 -2.00 0.00 0.00 174.74 172.19 1jh3 n GLU 28 N -1.17 0.95 -0.08 -0.38 2.13 -1.26 -0.39 120.64 120.44 1jh3 n GLU 28 Ca -0.15 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.68 1jh3 n GLU 28 Cb 0.67 -1.02 -0.00 0.00 0.27 0.00 0.00 31.44 31.35 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 0.74 -1.29 0.00 8.31 0.00 -1.26 -4.87 105.19 106.83 1jh3 n GLY 29 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.26 -2.57 3.77 -0.02 0.00 -1.26 -4.97 105.19 99.87 1jh3 n GLY 30 Ca 0.00 -1.17 -0.36 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.65 5.90 -0.28 1.61 -4.77 -1.26 -4.89 116.67 111.34 1jh3 s ASP 31 Ca 0.00 2.30 -0.21 0.00 -3.30 0.00 0.00 52.55 51.34 1jh3 s ASP 31 Cb 0.00 -2.60 0.08 0.00 -1.09 0.00 0.00 42.92 39.31 1jh3 s ASP 31 CO 0.00 -1.10 0.72 -0.69 0.70 0.00 0.00 175.17 174.80 1jh3 s VAL 32 N -1.60 0.00 0.47 2.11 1.01 -1.26 -4.97 120.40 116.16 1jh3 s VAL 32 Ca 0.68 0.00 -0.21 0.00 0.00 0.00 0.00 61.98 62.45 1jh3 s VAL 32 Cb -0.28 -1.00 -0.09 0.00 0.00 0.00 0.00 36.38 35.01 1jh3 s VAL 32 CO 0.33 0.00 1.01 -2.16 0.00 0.00 0.00 175.10 174.28 1jh3 s PRO 33 N 0.98 3.94 0.31 2.72 0.04 -1.26 -3.36 135.00 138.38 1jh3 s PRO 33 Ca -0.05 1.28 0.09 0.00 0.04 0.00 0.00 61.00 62.36 1jh3 s PRO 33 Cb -0.05 -2.12 0.89 0.00 0.04 0.00 0.00 34.50 33.25 1jh3 s PRO 33 CO -0.09 -0.30 1.69 1.37 0.04 0.00 0.00 177.00 179.71 1jh3 h LEU 34 N 1.68 0.45 -0.05 -3.56 8.10 -1.71 0.32 115.31 120.54 1jh3 h LEU 34 Ca -0.49 0.17 0.00 0.00 0.11 0.00 0.00 57.88 57.66 1jh3 h LEU 34 Cb 1.21 0.12 0.00 0.00 -0.44 0.00 0.00 40.66 41.55 1jh3 h LEU 34 CO 0.60 -0.03 0.00 0.55 -4.11 0.00 0.00 178.44 175.44 1jh3 n VAL 35 N -5.02 0.52 -0.12 0.15 3.14 -1.26 -1.38 118.33 114.36 1jh3 n VAL 35 Ca 0.26 0.10 -0.22 0.00 -2.96 0.00 0.00 64.34 61.52 1jh3 n VAL 35 Cb 0.79 -0.76 -0.11 0.00 -1.06 0.00 0.00 33.84 32.69 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 -1.62 0.64 0.24 1.45 -0.58 -0.03 -4.37 120.64 116.37 1jh3 n GLU 36 Ca 0.05 0.22 0.14 0.00 -0.42 0.00 0.00 57.16 57.15 1jh3 n GLU 36 Cb 0.27 -1.54 0.36 0.00 -0.57 0.00 0.00 31.44 29.96 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 -0.37 0.00 -0.09 -4.62 8.10 -0.88 0.17 115.31 117.62 1jh3 h LEU 37 Ca -0.60 0.00 -0.23 0.00 0.11 0.00 0.00 57.88 57.16 1jh3 h LEU 37 Cb 1.79 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 42.00 1jh3 h LEU 37 CO -0.19 0.00 -1.02 0.17 -4.11 0.00 0.00 178.44 173.29 1jh3 h LEU 38 N 0.00 0.29 0.03 0.17 -0.00 -1.48 0.73 115.31 115.05 1jh3 h LEU 38 Ca 0.00 -0.27 -0.00 0.00 -0.00 0.00 0.00 57.88 57.61 1jh3 h LEU 38 Cb 0.82 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.39 1jh3 h LEU 38 CO 0.00 1.14 -0.02 0.58 -0.00 0.00 0.00 178.44 180.14 1jh3 h VAL 39 N 0.09 1.33 -0.47 0.15 2.07 -1.45 0.24 116.25 118.21 1jh3 h VAL 39 Ca -0.07 -1.18 -0.05 0.00 0.82 0.00 0.00 66.70 66.22 1jh3 h VAL 39 Cb 1.71 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 33.56 1jh3 h VAL 39 CO 0.16 0.30 0.07 0.28 0.02 0.00 0.00 177.57 178.40 1jh3 h SER 40 N -0.56 0.68 1.62 0.57 0.02 -0.82 -2.13 113.55 112.94 1jh3 h SER 40 Ca -0.00 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 60.77 1jh3 h SER 40 Cb 0.52 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1jh3 h SER 40 CO 0.01 0.71 -0.24 0.00 -1.14 0.00 0.00 176.83 176.16 1jh3 h ALA 41 N 1.38 0.86 -0.09 3.77 0.00 -0.77 -3.48 119.26 120.93 1jh3 h ALA 41 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jh3 h ALA 41 Cb 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1jh3 h ALA 41 CO 0.00 0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.97 1jh3 n GLY 42 N 1.01 1.36 0.08 0.00 0.00 0.58 -4.86 105.19 103.34 1jh3 n GLY 42 Ca 0.03 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 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 1.25 -2.29 -0.61 5.03 -0.99 -3.44 117.51 116.46 1jh3 h ILE 43 Ca 0.00 -1.79 -0.38 0.00 -0.12 0.00 0.00 64.86 62.57 1jh3 h ILE 43 Cb 0.30 2.31 -0.35 0.00 -3.03 0.00 0.00 36.82 36.05 1jh3 h ILE 43 CO 0.00 0.40 -0.67 -0.44 -0.68 0.00 0.00 178.15 176.76 1jh3 s SER 44 N -5.93 2.10 0.36 1.72 0.01 -1.23 -5.02 113.70 105.71 1jh3 s SER 44 Ca -0.14 -0.88 0.25 0.00 1.31 0.00 0.00 55.95 56.49 1jh3 s SER 44 Cb -0.02 0.31 0.65 0.00 0.21 0.00 0.00 66.02 67.17 1jh3 s SER 44 CO 0.52 -0.40 1.71 1.55 0.41 0.00 0.00 173.24 177.03 1jh3 h PRO 45 N 8.29 0.00 -5.48 12.44 0.13 -1.86 -3.39 132.00 142.14 1jh3 h PRO 45 Ca -0.15 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.34 1jh3 h PRO 45 Cb 1.06 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.04 1jh3 h PRO 45 CO 0.36 0.00 0.20 0.45 -0.23 0.00 0.00 178.00 178.78 1jh3 s SER 46 N -5.45 6.33 0.36 1.44 0.15 -1.26 -4.95 113.70 110.33 1jh3 s SER 46 Ca 0.08 -0.35 0.11 0.00 0.70 0.00 0.00 55.95 56.48 1jh3 s SER 46 Cb 0.08 -2.34 0.87 0.00 -1.71 0.00 0.00 66.02 62.92 1jh3 s SER 46 CO 0.61 -0.85 1.83 0.11 1.20 0.00 0.00 173.24 176.14 1jh3 h LYS 47 N 8.94 0.62 -0.24 5.44 1.57 -1.98 0.31 116.57 131.24 1jh3 h LYS 47 Ca -0.25 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.46 1jh3 h LYS 47 Cb 1.09 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 1jh3 h LYS 47 CO 0.93 0.41 0.04 -0.09 -0.57 0.00 0.00 179.45 180.16 1jh3 h ARG 48 N 0.63 0.39 0.01 3.15 1.12 -1.96 0.14 114.38 117.88 1jh3 h ARG 48 Ca 0.50 -0.11 0.01 0.00 -1.11 0.00 0.00 59.98 59.28 1jh3 h ARG 48 Cb 0.93 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.83 1jh3 h ARG 48 CO -0.26 0.53 -0.08 0.37 -3.11 0.00 0.00 179.97 177.43 1jh3 h GLN 49 N 0.19 -0.13 -0.55 0.20 -0.00 -1.19 -1.48 115.11 112.15 1jh3 h GLN 49 Ca 0.07 0.01 0.10 0.00 -0.00 0.00 0.00 58.65 58.83 1jh3 h GLN 49 Cb 0.33 0.03 -0.08 0.00 0.00 0.00 0.00 27.48 27.76 1jh3 h GLN 49 CO 0.00 -0.09 0.11 0.00 0.00 0.00 0.00 178.83 178.85 1jh3 h ALA 50 N 0.84 0.63 -0.34 3.38 0.00 -0.44 0.13 119.26 123.46 1jh3 h ALA 50 Ca 0.03 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1jh3 h ALA 50 Cb 0.17 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1jh3 h ALA 50 CO -0.07 -0.31 0.11 0.00 0.00 0.00 0.00 179.25 178.98 1jh3 h ARG 51 N 0.24 0.24 -0.23 0.00 3.08 -0.24 0.14 114.38 117.62 1jh3 h ARG 51 Ca 0.28 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 60.19 1jh3 h ARG 51 Cb 0.41 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1jh3 h ARG 51 CO -0.37 0.16 -0.42 1.49 -1.07 0.00 0.00 179.97 179.75 1jh3 h GLU 52 N 0.25 0.55 0.00 0.04 4.81 -0.38 0.40 114.58 120.24 1jh3 h GLU 52 Ca 0.15 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1jh3 h GLU 52 Cb 0.14 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1jh3 h GLU 52 CO -0.17 0.87 0.00 -0.25 -0.73 0.00 0.00 179.01 178.73 1jh3 n ASP 53 N -4.02 0.33 -0.06 1.04 9.92 0.38 -0.43 116.55 123.71 1jh3 n ASP 53 Ca -0.02 0.64 -0.06 0.00 -0.53 0.00 0.00 54.79 54.82 1jh3 n ASP 53 Cb 0.52 -0.68 -0.10 0.00 -0.64 0.00 0.00 41.12 40.22 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 -1.92 0.84 1.02 0.53 -0.00 0.43 -4.33 119.36 115.94 1jh3 n ILE 54 Ca -0.00 -0.54 0.12 0.00 -0.00 0.00 0.00 62.75 62.33 1jh3 n ILE 54 Cb 0.06 -0.60 0.28 0.00 -0.00 0.00 0.00 39.64 39.38 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 -2.45 0.06 -3.91 0.38 6.02 0.13 -3.93 117.38 113.68 1jh3 n GLN 55 Ca -0.20 -0.03 -0.33 0.00 -0.01 0.00 0.00 57.00 56.43 1jh3 n GLN 55 Cb 0.89 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.61 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 -2.97 6.36 0.00 1.08 0.02 0.42 -4.89 114.94 114.97 1jh3 s ASN 56 Ca 0.12 0.34 0.00 0.00 -1.02 0.00 0.00 52.86 52.30 1jh3 s ASN 56 Cb 0.18 -1.99 0.00 0.00 0.02 0.00 0.00 41.25 39.45 1jh3 s ASN 56 CO 0.68 0.25 0.22 0.61 0.02 0.00 0.00 177.10 178.88 1jh3 n GLY 57 N 0.88 -0.15 0.02 0.66 0.00 -1.26 -1.92 105.19 103.42 1jh3 n GLY 57 Ca -0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.36 2.87 -3.31 4.61 0.00 -1.26 -4.50 120.51 118.55 1jh3 n ALA 58 Ca 0.00 -0.22 -0.47 0.00 0.00 0.00 0.00 53.44 52.75 1jh3 n ALA 58 Cb 0.01 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.13 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 -2.91 5.58 -0.82 0.00 -1.16 -0.81 0.05 121.20 121.13 1jh3 s ILE 59 Ca 0.16 -2.44 -0.24 0.00 -0.51 0.00 0.00 60.65 57.62 1jh3 s ILE 59 Cb 0.19 -4.49 0.06 0.00 0.61 0.00 0.00 42.46 38.83 1jh3 s ILE 59 CO 0.58 -1.05 1.22 -0.31 -2.81 0.00 0.00 174.94 172.57 1jh3 s TYR 60 N 0.27 2.57 0.13 3.50 2.02 -0.30 -1.75 117.35 123.78 1jh3 s TYR 60 Ca 0.19 -0.58 -0.30 0.00 -0.37 0.00 0.00 57.07 56.01 1jh3 s TYR 60 Cb -0.10 -4.51 -0.06 0.00 -0.40 0.00 0.00 41.96 36.89 1jh3 s TYR 60 CO -0.09 -1.85 1.00 0.54 -1.57 0.00 0.00 175.55 173.58 1jh3 s VAL 61 N 4.66 4.33 -2.15 0.71 0.11 0.34 -0.39 120.40 128.02 1jh3 s VAL 61 Ca 0.34 1.94 0.00 0.00 -2.93 0.00 0.00 61.98 61.34 1jh3 s VAL 61 Cb -0.08 -4.24 0.00 0.00 -1.53 0.00 0.00 36.38 30.53 1jh3 s VAL 61 CO 0.04 0.30 0.00 0.59 -3.33 0.00 0.00 175.10 172.70 1jh3 n ASN 62 N 2.73 -5.47 0.00 3.54 3.02 0.05 -0.14 115.26 118.99 1jh3 n ASN 62 Ca 0.03 0.50 0.00 0.00 -0.03 0.00 0.00 54.58 55.08 1jh3 n ASN 62 Cb 0.48 -4.80 0.00 0.00 -0.61 0.00 0.00 39.78 34.86 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 -0.36 0.74 2.86 7.41 0.00 -1.25 -4.97 105.19 109.63 1jh3 n GLY 63 Ca -0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.39 1.25 -0.36 1.61 2.12 0.81 -4.97 118.70 118.76 1jh3 s GLU 64 Ca 0.00 -0.33 -0.28 0.00 0.36 0.00 0.00 54.97 54.72 1jh3 s GLU 64 Cb 0.00 -1.72 -0.07 0.00 0.26 0.00 0.00 34.13 32.60 1jh3 s GLU 64 CO 0.00 -0.38 2.31 -2.13 -0.54 0.00 0.00 175.26 174.52 1jh3 n ARG 65 N 4.96 1.46 -3.56 4.30 0.00 -1.26 -0.50 116.66 122.05 1jh3 n ARG 65 Ca -0.11 0.29 -0.27 0.00 -0.00 0.00 0.00 57.85 57.76 1jh3 n ARG 65 Cb 0.49 -3.16 -0.15 0.00 0.00 0.00 0.00 32.46 29.63 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 9.64 0.41 -0.57 6.15 1.43 -0.71 -4.93 118.68 130.10 1jh3 s LEU 66 Ca 1.02 -0.98 0.07 0.00 -1.03 0.00 0.00 54.13 53.21 1jh3 s LEU 66 Cb -0.37 -0.25 0.26 0.00 0.03 0.00 0.00 46.19 45.86 1jh3 s LEU 66 CO 0.34 -0.40 0.72 0.00 0.23 0.00 0.00 176.35 177.24 1jh3 n GLN 67 N 5.27 2.16 -3.55 1.70 -0.00 -1.26 -4.71 117.38 116.99 1jh3 n GLN 67 Ca -0.06 -4.34 -0.15 0.00 -0.00 0.00 0.00 57.00 52.44 1jh3 n GLN 67 Cb 0.45 -2.02 -0.05 0.00 -0.00 0.00 0.00 30.24 28.62 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 -2.29 -0.51 0.47 2.61 -1.08 -1.25 -4.58 116.67 110.03 1jh3 s ASP 68 Ca 0.40 0.34 0.13 0.00 -0.52 0.00 0.00 52.55 52.90 1jh3 s ASP 68 Cb 0.17 0.51 1.09 0.00 -1.46 0.00 0.00 42.92 43.23 1jh3 s ASP 68 CO -0.04 -0.69 2.08 1.62 0.52 0.00 0.00 175.17 178.66 1jh3 h VAL 69 N 2.86 1.00 0.00 1.11 3.04 -1.91 -0.32 116.25 122.02 1jh3 h VAL 69 Ca -0.30 -0.09 -0.02 0.00 -1.01 0.00 0.00 66.70 65.28 1jh3 h VAL 69 Cb 1.19 0.71 -0.00 0.00 -2.01 0.00 0.00 31.29 31.18 1jh3 h VAL 69 CO 0.40 0.05 -0.11 1.23 -1.01 0.00 0.00 177.57 178.12 1jh3 h GLY 70 N 0.26 0.00 0.27 3.17 0.00 -2.02 -3.29 103.07 101.48 1jh3 h GLY 70 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.14 1jh3 h GLY 70 CO -0.02 0.00 -1.69 0.00 0.00 0.00 0.00 176.54 174.83 1jh3 n ALA 71 N -2.27 0.87 -3.75 3.60 0.00 -0.21 -4.93 120.51 113.81 1jh3 n ALA 71 Ca -0.02 -0.58 -0.15 0.00 0.00 0.00 0.00 53.44 52.70 1jh3 n ALA 71 Cb 0.24 -0.57 -0.15 0.00 0.00 0.00 0.00 19.45 18.97 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 -2.46 -0.06 0.00 0.00 1.01 -0.72 -4.85 121.20 114.12 1jh3 s ILE 72 Ca -0.27 0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.60 1jh3 s ILE 72 Cb 0.07 -0.17 0.00 0.00 0.01 0.00 0.00 42.46 42.37 1jh3 s ILE 72 CO 0.67 0.09 0.00 0.18 0.00 0.00 0.00 174.94 175.87 1jh3 n LEU 73 N 4.28 0.00 0.00 2.97 4.77 -1.26 -2.90 117.00 124.86 1jh3 n LEU 73 Ca -0.26 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.69 1jh3 n LEU 73 Cb 0.51 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.61 1jh3 n LEU 73 CO 0.19 0.00 0.06 0.35 -1.33 0.00 0.00 177.39 176.66 1jh3 n THR 74 N 0.00 0.00 -0.24 -5.08 -2.24 -1.21 -4.26 114.28 101.24 1jh3 n THR 74 Ca 0.00 -0.28 -0.03 0.00 -2.27 0.00 0.00 64.05 61.48 1jh3 n THR 74 Cb 0.00 -0.97 0.08 0.00 -2.10 0.00 0.00 70.33 67.35 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 0.36 0.91 0.00 6.98 0.00 -1.88 -1.33 119.26 124.29 1jh3 h ALA 75 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1jh3 h ALA 75 Cb 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1jh3 h ALA 75 CO 0.06 0.15 0.00 1.05 0.00 0.00 0.00 179.25 180.51 1jh3 h GLU 76 N 0.79 0.00 -0.08 0.00 4.11 -1.85 -0.24 114.58 117.31 1jh3 h GLU 76 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.72 1jh3 h GLU 76 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1jh3 h GLU 76 CO -0.13 0.00 0.00 1.58 0.07 0.00 0.00 179.01 180.53 1jh3 n HIS 77 N -2.73 0.09 0.00 2.06 -0.00 -0.53 -4.49 115.22 109.63 1jh3 n HIS 77 Ca 0.00 -0.05 0.00 0.00 0.46 0.00 0.00 57.72 58.14 1jh3 n HIS 77 Cb 0.22 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.09 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 0.18 0.00 -0.76 1.57 0.00 -0.44 -4.59 116.66 112.62 1jh3 n ARG 78 Ca 0.18 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 58.01 1jh3 n ARG 78 Cb 0.33 -0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.80 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 -2.46 0.00 0.00 6.15 -0.00 -0.23 -4.91 117.00 115.54 1jh3 n LEU 79 Ca 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 56.01 55.83 1jh3 n LEU 79 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 43.42 43.36 1jh3 n LEU 79 CO 0.00 -0.55 0.42 -1.84 -0.00 0.00 0.00 177.39 175.43 1jh3 n GLU 80 N -1.17 0.00 0.00 1.47 0.28 -1.26 -3.98 120.64 115.99 1jh3 n GLU 80 Ca 0.01 0.32 0.00 0.00 -0.16 0.00 0.00 57.16 57.33 1jh3 n GLU 80 Cb 0.05 -1.54 0.00 0.00 1.43 0.00 0.00 31.44 31.38 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 -1.30 0.78 1.85 -1.84 0.00 -1.24 -4.76 105.19 98.68 1jh3 n GLY 81 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1jh3 n GLY 81 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1jh3 n ARG 82 N 0.00 0.00 -3.20 1.61 3.00 -1.26 -4.79 116.66 112.02 1jh3 n ARG 82 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.74 1jh3 n ARG 82 Cb 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 32.46 32.39 1jh3 n ARG 82 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1jh3 n PHE 83 N -2.90 -0.50 -3.72 -0.14 3.01 -1.26 -4.46 117.46 107.49 1jh3 n PHE 83 Ca 0.00 -1.53 -0.13 0.00 1.01 0.00 0.00 57.45 56.80 1jh3 n PHE 83 Cb 0.00 0.18 -0.10 0.00 -0.01 0.00 0.00 39.48 39.55 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 -2.74 -0.00 0.04 4.37 2.01 0.69 -4.44 115.64 115.57 1jh3 s THR 84 Ca 0.21 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.24 1jh3 s THR 84 Cb 0.01 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 1jh3 s THR 84 CO 0.15 0.01 0.10 -0.69 -0.69 0.00 0.00 174.62 173.50 1jh3 s VAL 85 N 0.44 4.76 -0.31 3.82 1.01 -1.26 -1.10 120.40 127.76 1jh3 s VAL 85 Ca -0.02 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1jh3 s VAL 85 Cb -0.04 -3.25 0.09 0.00 0.00 0.00 0.00 36.38 33.19 1jh3 s VAL 85 CO -0.02 0.22 0.06 -0.63 0.00 0.00 0.00 175.10 174.73 1jh3 s ILE 86 N -1.33 1.46 -1.15 2.22 -1.09 0.41 -0.77 121.20 120.96 1jh3 s ILE 86 Ca 0.27 -1.70 -0.12 0.00 -2.23 0.00 0.00 60.65 56.88 1jh3 s ILE 86 Cb -0.12 -2.04 0.22 0.00 -1.58 0.00 0.00 42.46 38.94 1jh3 s ILE 86 CO 0.19 -0.56 1.27 -0.60 -1.23 0.00 0.00 174.94 174.02 1jh3 s ARG 87 N 1.33 4.11 -1.15 2.79 3.52 0.48 -0.33 118.95 129.70 1jh3 s ARG 87 Ca 0.08 -2.82 -0.21 0.00 -0.13 0.00 0.00 55.73 52.65 1jh3 s ARG 87 Cb -0.18 -4.83 0.05 0.00 -1.56 0.00 0.00 34.95 28.43 1jh3 s ARG 87 CO -0.16 -1.53 1.63 0.50 -0.81 0.00 0.00 175.30 174.93 1jh3 s ARG 88 N 0.38 3.65 0.00 5.12 6.06 -0.09 -1.16 118.95 132.93 1jh3 s ARG 88 Ca 0.37 -1.47 0.00 0.00 -2.50 0.00 0.00 55.73 52.13 1jh3 s ARG 88 Cb -0.06 -5.42 0.00 0.00 0.06 0.00 0.00 34.95 29.53 1jh3 s ARG 88 CO -0.04 -2.39 0.00 0.41 -2.50 0.00 0.00 175.30 170.78 1jh3 n GLY 89 N 6.17 0.00 0.30 8.12 0.00 0.11 -0.51 105.19 119.38 1jh3 n GLY 89 Ca 0.41 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.63 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 0.00 0.00 1.61 3.11 -1.93 -3.34 116.57 116.02 1jh3 h LYS 90 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1jh3 h LYS 90 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1jh3 h LYS 90 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 179.45 177.81 1jh3 n LYS 91 N -3.05 0.00 0.00 1.90 3.00 0.34 -5.15 118.16 115.20 1jh3 n LYS 91 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1jh3 n LYS 91 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.22 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 0.00 0.00 -2.94 1.64 3.00 -0.88 -4.96 118.16 114.02 1jh3 n LYS 92 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.94 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 0.66 0.00 0.00 0.00 177.40 178.06 1jh3 n TYR 93 N 0.00 2.94 -1.79 5.64 4.01 -1.22 -0.91 117.16 125.82 1jh3 n TYR 93 Ca 0.00 -3.05 -0.30 0.00 -0.16 0.00 0.00 57.90 54.39 1jh3 n TYR 93 Cb 0.00 -1.00 0.08 0.00 -0.31 0.00 0.00 39.34 38.11 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 -3.38 3.02 -0.04 -0.72 1.51 0.55 -4.67 117.35 113.62 1jh3 s TYR 94 Ca 0.38 0.94 0.02 0.00 -1.01 0.00 0.00 57.07 57.40 1jh3 s TYR 94 Cb 0.15 -3.26 0.01 0.00 -0.11 0.00 0.00 41.96 38.75 1jh3 s TYR 94 CO -0.03 -1.62 -0.09 -1.17 -1.11 0.00 0.00 175.55 171.53 1jh3 s LEU 95 N -5.58 1.67 -0.05 -1.29 2.96 -1.22 -0.44 118.68 114.71 1jh3 s LEU 95 Ca 0.61 -0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 54.32 1jh3 s LEU 95 Cb -0.12 -0.58 0.03 0.00 0.50 0.00 0.00 46.19 46.02 1jh3 s LEU 95 CO 0.51 0.03 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.94 1jh3 s ILE 96 N 0.43 0.39 0.27 6.68 -1.09 -0.26 -0.83 121.20 126.78 1jh3 s ILE 96 Ca -0.07 0.04 0.03 0.00 -2.23 0.00 0.00 60.65 58.42 1jh3 s ILE 96 Cb -0.11 -0.49 -0.04 0.00 -1.58 0.00 0.00 42.46 40.24 1jh3 s ILE 96 CO 0.01 0.23 0.18 0.00 -1.23 0.00 0.00 174.94 174.13 1jh3 s ARG 97 N 1.47 1.49 0.38 2.79 1.70 0.21 -0.22 118.95 126.77 1jh3 s ARG 97 Ca -0.03 -1.83 0.08 0.00 -0.47 0.00 0.00 55.73 53.48 1jh3 s ARG 97 Cb -0.13 0.16 -0.06 0.00 -0.57 0.00 0.00 34.95 34.35 1jh3 s ARG 97 CO -0.03 -0.48 0.09 1.52 -1.08 0.00 0.00 175.30 175.32 1jh3 s TYR 98 N -3.77 2.58 -2.00 5.89 -0.85 -1.26 -1.62 117.35 116.32 1jh3 s TYR 98 Ca 0.38 -0.53 0.12 0.00 -0.52 0.00 0.00 57.07 56.53 1jh3 s TYR 98 Cb 0.05 -1.73 0.73 0.00 0.38 0.00 0.00 41.96 41.40 1jh3 s TYR 98 CO 0.18 0.35 1.16 0.00 -1.52 0.00 0.00 175.55 175.72