#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 -0.07 0.05 0.00 2.96 -1.26 -5.18 118.68 115.18 1jh3 s LEU 2 Ca 0.00 0.15 0.01 0.00 -0.22 0.00 0.00 54.13 54.07 1jh3 s LEU 2 Cb 0.00 2.13 -0.03 0.00 0.50 0.00 0.00 46.19 48.79 1jh3 s LEU 2 CO 0.00 -0.73 -0.05 -0.36 -1.32 0.00 0.00 176.35 173.89 1jh3 s PHE 3 N -2.52 0.58 0.14 5.38 0.40 -1.26 -5.17 117.98 115.53 1jh3 s PHE 3 Ca -0.05 -0.69 -0.11 0.00 -0.60 0.00 0.00 56.93 55.48 1jh3 s PHE 3 Cb -0.01 -0.37 0.01 0.00 0.51 0.00 0.00 43.02 43.16 1jh3 s PHE 3 CO -0.02 -0.18 0.31 -1.54 0.70 0.00 0.00 175.22 174.49 1jh3 s SER 4 N -2.07 -0.03 0.00 1.36 1.04 -1.26 -4.95 113.70 107.79 1jh3 s SER 4 Ca -0.04 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.73 1jh3 s SER 4 Cb -0.04 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1jh3 s SER 4 CO -0.03 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 173.94 1jh3 n GLY 5 N -0.19 0.28 0.03 7.32 0.00 -1.26 -4.88 105.19 106.48 1jh3 n GLY 5 Ca -0.11 -1.37 -0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.03 -0.50 1.61 3.32 -2.01 -3.39 116.42 115.43 1jh3 h ASP 6 Ca 0.00 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 1jh3 h ASP 6 Cb 0.00 0.01 -0.12 0.00 0.22 0.00 0.00 39.33 39.44 1jh3 h ASP 6 CO 0.00 0.14 0.26 2.30 -1.72 0.00 0.00 179.24 180.22 1jh3 n ILE 7 N -2.96 2.08 1.15 0.35 -0.00 -1.26 -4.53 119.36 114.18 1jh3 n ILE 7 Ca -0.00 -1.02 0.10 0.00 -0.00 0.00 0.00 62.75 61.82 1jh3 n ILE 7 Cb 0.01 -0.58 0.56 0.00 -0.00 0.00 0.00 39.64 39.63 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 -0.19 2.18 -0.01 -1.28 0.00 -1.26 -0.65 120.51 119.30 1jh3 n ALA 8 Ca 0.29 -0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.71 1jh3 n ALA 8 Cb 1.07 -1.32 -0.16 0.00 0.00 0.00 0.00 19.45 19.04 1jh3 n ALA 8 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1jh3 n ASN 9 N -1.09 0.40 -3.33 0.00 0.23 -1.26 -4.79 115.26 105.43 1jh3 n ASN 9 Ca 0.13 0.00 -0.26 0.00 -0.53 0.00 0.00 54.58 53.93 1jh3 n ASN 9 Cb 0.10 1.89 -0.09 0.00 -2.08 0.00 0.00 39.78 39.60 1jh3 n ASN 9 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jh3 n LEU 10 N -2.21 0.25 0.00 -4.53 -0.00 0.18 -4.90 117.00 105.79 1jh3 n LEU 10 Ca -0.05 -4.63 0.00 0.00 -0.00 0.00 0.00 56.01 51.34 1jh3 n LEU 10 Cb 0.54 0.45 0.00 0.00 -0.00 0.00 0.00 43.42 44.41 1jh3 n LEU 10 CO 0.42 1.96 0.00 0.41 -0.00 0.00 0.00 177.39 180.19 1jh3 n THR 11 N 2.01 0.00 0.15 1.47 -1.04 -0.89 -4.54 114.28 111.44 1jh3 n THR 11 Ca 0.25 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.13 1jh3 n THR 11 Cb 0.49 -1.52 -0.08 0.00 -1.82 0.00 0.00 70.33 67.40 1jh3 n THR 11 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jh3 h ALA 12 N -1.39 -0.40 0.00 2.41 0.00 -1.98 0.58 119.26 118.47 1jh3 h ALA 12 Ca 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1jh3 h ALA 12 Cb 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1jh3 h ALA 12 CO 0.00 -0.55 -0.20 0.00 0.00 0.00 0.00 179.25 178.50 1jh3 h ALA 13 N -0.20 1.05 0.06 0.00 0.00 -1.99 -0.94 119.26 117.25 1jh3 h ALA 13 Ca -0.04 -0.18 -0.28 0.00 0.00 0.00 0.00 54.91 54.41 1jh3 h ALA 13 Cb 0.50 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1jh3 h ALA 13 CO 0.07 0.24 -1.43 0.93 0.00 0.00 0.00 179.25 179.06 1jh3 h GLU 14 N 0.00 0.12 -0.04 0.00 3.07 -1.88 -1.84 114.58 114.02 1jh3 h GLU 14 Ca -0.00 -0.21 -0.03 0.00 -0.50 0.00 0.00 59.36 58.62 1jh3 h GLU 14 Cb 0.67 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.66 1jh3 h GLU 14 CO 0.03 0.94 -0.09 0.82 -1.40 0.00 0.00 179.01 179.31 1jh3 h ILE 15 N 0.03 1.43 0.19 3.13 2.04 0.30 0.18 117.51 124.81 1jh3 h ILE 15 Ca -0.19 -1.41 0.01 0.00 1.00 0.00 0.00 64.86 64.27 1jh3 h ILE 15 Cb 1.95 2.27 -0.04 0.00 -0.74 0.00 0.00 36.82 40.26 1jh3 h ILE 15 CO 0.13 0.38 -0.46 -0.33 0.00 0.00 0.00 178.15 177.87 1jh3 h GLU 16 N -0.39 -0.72 0.00 2.37 4.39 -1.21 0.21 114.58 119.24 1jh3 h GLU 16 Ca 0.00 0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.68 1jh3 h GLU 16 Cb 0.67 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 1jh3 h GLU 16 CO 0.02 -0.48 -0.34 0.37 -1.16 0.00 0.00 179.01 177.42 1jh3 h GLN 17 N -0.74 0.00 -0.69 2.33 5.75 -1.42 0.10 115.11 120.44 1jh3 h GLN 17 Ca -0.00 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.43 1jh3 h GLN 17 Cb 0.74 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.26 1jh3 h GLN 17 CO -0.22 0.34 0.16 0.78 -2.65 0.00 0.00 178.83 177.24 1jh3 h GLY 18 N 2.58 1.20 -0.09 2.39 0.00 -0.12 -3.34 103.07 105.69 1jh3 h GLY 18 Ca -0.00 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 46.56 1jh3 h GLY 18 CO 0.04 0.71 -0.04 0.69 0.00 0.00 0.00 176.54 177.94 1jh3 n PHE 19 N -4.24 0.00 0.00 5.60 3.72 0.71 -4.64 117.46 118.60 1jh3 n PHE 19 Ca 0.05 -0.43 0.00 0.00 -0.05 0.00 0.00 57.45 57.02 1jh3 n PHE 19 Cb 0.27 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 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 0.10 -1.08 5.02 0.34 -1.84 118.16 120.19 1jh3 n LYS 20 Ca 0.03 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.12 1jh3 n LYS 20 Cb 0.42 -1.05 -0.12 0.00 -0.02 0.00 0.00 35.03 34.26 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 0.73 -1.82 4.39 3.58 -1.86 -3.47 116.42 117.97 1jh3 h ASP 21 Ca 0.00 -0.70 -0.62 0.00 0.42 0.00 0.00 57.03 56.13 1jh3 h ASP 21 Cb 0.00 -0.23 -0.13 0.00 1.72 0.00 0.00 39.33 40.69 1jh3 h ASP 21 CO 0.00 1.52 -0.63 0.68 -2.88 0.00 0.00 179.24 177.93 1jh3 s VAL 22 N -2.88 2.05 1.09 2.25 -7.23 -0.76 -5.11 120.40 109.79 1jh3 s VAL 22 Ca -0.08 -2.07 -0.18 0.00 -1.81 0.00 0.00 61.98 57.85 1jh3 s VAL 22 Cb 0.06 -2.87 0.25 0.00 0.56 0.00 0.00 36.38 34.37 1jh3 s VAL 22 CO 0.92 -0.07 1.22 -2.16 -0.31 0.00 0.00 175.10 174.70 1jh3 s PRO 23 N -3.68 -0.33 0.34 4.82 0.04 -1.26 -4.89 135.00 130.03 1jh3 s PRO 23 Ca 0.34 -0.25 0.03 0.00 0.04 0.00 0.00 61.00 61.16 1jh3 s PRO 23 Cb 0.07 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.84 1jh3 s PRO 23 CO 0.17 -3.08 0.08 -1.54 0.04 0.00 0.00 177.00 172.67 1jh3 s SER 24 N -4.41 2.30 0.17 6.66 1.04 -1.26 -3.31 113.70 114.89 1jh3 s SER 24 Ca 0.73 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1jh3 s SER 24 Cb -0.06 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.11 1jh3 s SER 24 CO 0.54 -0.71 0.06 0.12 0.98 0.00 0.00 173.24 174.24 1jh3 s PHE 25 N -3.35 1.11 -0.01 5.02 5.36 0.11 -4.94 117.98 121.28 1jh3 s PHE 25 Ca 0.33 -1.19 0.00 0.00 -0.96 0.00 0.00 56.93 55.12 1jh3 s PHE 25 Cb 0.07 -0.62 0.02 0.00 -0.34 0.00 0.00 43.02 42.15 1jh3 s PHE 25 CO 0.15 -0.42 0.01 0.54 -1.46 0.00 0.00 175.22 174.04 1jh3 s VAL 26 N -3.91 0.00 0.54 3.12 0.11 -1.26 -1.04 120.40 117.96 1jh3 s VAL 26 Ca 0.29 0.11 0.03 0.00 -2.93 0.00 0.00 61.98 59.48 1jh3 s VAL 26 Cb 0.07 -0.08 0.02 0.00 -1.53 0.00 0.00 36.38 34.86 1jh3 s VAL 26 CO 0.06 0.06 0.24 -1.38 -3.33 0.00 0.00 175.10 170.75 1jh3 s HIS 27 N 0.64 1.67 -1.42 1.54 -3.43 -0.60 -4.93 115.29 108.76 1jh3 s HIS 27 Ca -0.05 -0.91 0.00 0.00 -0.80 0.00 0.00 55.06 53.30 1jh3 s HIS 27 Cb -0.08 -1.77 0.00 0.00 -1.43 0.00 0.00 32.58 29.30 1jh3 s HIS 27 CO -0.02 -0.20 0.66 -1.91 -2.00 0.00 0.00 174.74 171.28 1jh3 n GLU 28 N -1.57 0.94 -0.42 -0.38 2.13 -1.26 -0.03 120.64 120.04 1jh3 n GLU 28 Ca -0.10 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.78 1jh3 n GLU 28 Cb 0.65 -1.27 -0.01 0.00 0.27 0.00 0.00 31.44 31.08 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 0.20 -1.97 0.00 8.31 0.00 -1.26 -4.64 105.19 105.83 1jh3 n GLY 29 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1jh3 n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jh3 n GLY 30 N -1.63 -2.70 3.78 -0.02 0.00 -1.26 -4.98 105.19 98.39 1jh3 n GLY 30 Ca 0.00 -1.30 -0.33 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.89 5.58 -0.28 1.61 -4.77 -1.26 -4.91 116.67 109.76 1jh3 s ASP 31 Ca 0.00 1.96 -0.17 0.00 -3.30 0.00 0.00 52.55 51.04 1jh3 s ASP 31 Cb 0.00 -2.55 0.09 0.00 -1.09 0.00 0.00 42.92 39.37 1jh3 s ASP 31 CO 0.00 -1.31 0.73 -0.69 0.70 0.00 0.00 175.17 174.61 1jh3 s VAL 32 N -2.24 0.00 0.52 2.11 1.01 -1.26 -4.96 120.40 115.58 1jh3 s VAL 32 Ca 0.67 0.00 -0.21 0.00 0.00 0.00 0.00 61.98 62.44 1jh3 s VAL 32 Cb -0.19 -1.00 -0.06 0.00 0.00 0.00 0.00 36.38 35.13 1jh3 s VAL 32 CO 0.35 0.00 1.16 -2.16 0.00 0.00 0.00 175.10 174.45 1jh3 s PRO 33 N 1.44 3.43 0.33 2.72 0.04 -1.26 -3.37 135.00 138.32 1jh3 s PRO 33 Ca -0.09 1.73 0.12 0.00 0.04 0.00 0.00 61.00 62.80 1jh3 s PRO 33 Cb -0.05 -2.14 1.01 0.00 0.04 0.00 0.00 34.50 33.36 1jh3 s PRO 33 CO -0.17 -0.82 1.66 1.37 0.04 0.00 0.00 177.00 179.08 1jh3 h LEU 34 N 1.45 0.40 -0.02 -3.56 8.10 -1.66 0.91 115.31 120.93 1jh3 h LEU 34 Ca -0.50 0.19 0.00 0.00 0.11 0.00 0.00 57.88 57.68 1jh3 h LEU 34 Cb 1.26 0.17 0.00 0.00 -0.44 0.00 0.00 40.66 41.65 1jh3 h LEU 34 CO 0.58 -0.14 -0.03 0.55 -4.11 0.00 0.00 178.44 175.28 1jh3 n VAL 35 N -5.09 0.00 -0.08 0.15 3.14 -1.26 -1.28 118.33 113.91 1jh3 n VAL 35 Ca 0.29 -0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.59 1jh3 n VAL 35 Cb 0.92 -0.43 -0.12 0.00 -1.06 0.00 0.00 33.84 33.15 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 -1.36 1.35 0.21 1.45 -0.58 0.17 -4.18 120.64 117.69 1jh3 n GLU 36 Ca 0.11 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.97 1jh3 n GLU 36 Cb 0.29 -1.40 0.15 0.00 -0.57 0.00 0.00 31.44 29.91 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 -0.27 -4.62 8.10 -0.96 -1.62 115.31 115.94 1jh3 h LEU 37 Ca -0.43 0.00 -0.17 0.00 0.11 0.00 0.00 57.88 57.39 1jh3 h LEU 37 Cb 1.94 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 42.14 1jh3 h LEU 37 CO 0.01 0.02 -0.80 0.17 -4.11 0.00 0.00 178.44 173.73 1jh3 h LEU 38 N 0.00 0.00 -0.01 0.17 -0.00 -1.42 0.11 115.31 114.16 1jh3 h LEU 38 Ca -0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.80 1jh3 h LEU 38 Cb 1.02 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.68 1jh3 h LEU 38 CO 0.00 0.80 -0.32 1.62 -0.00 0.00 0.00 178.44 180.54 1jh3 h VAL 39 N 0.00 1.52 0.09 0.15 3.04 -1.66 0.24 116.25 119.62 1jh3 h VAL 39 Ca -0.01 -1.96 0.01 0.00 -1.01 0.00 0.00 66.70 63.74 1jh3 h VAL 39 Cb 1.48 2.71 -0.02 0.00 -2.01 0.00 0.00 31.29 33.45 1jh3 h VAL 39 CO 0.10 0.54 -0.15 0.28 -1.01 0.00 0.00 177.57 177.33 1jh3 h SER 40 N -0.40 -0.43 1.02 3.17 0.02 -1.40 -3.11 113.55 112.42 1jh3 h SER 40 Ca -0.04 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1jh3 h SER 40 Cb 1.06 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1jh3 h SER 40 CO 0.06 -0.22 -0.01 0.00 -1.14 0.00 0.00 176.83 175.52 1jh3 n ALA 41 N -2.42 2.35 -1.03 3.77 0.00 0.37 -4.90 120.51 118.64 1jh3 n ALA 41 Ca -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1jh3 n ALA 41 Cb 0.20 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 1.49 1.13 0.07 0.00 0.00 0.58 -4.84 105.19 103.63 1jh3 n GLY 42 Ca 0.07 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 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 1.54 -1.28 -0.61 5.03 -1.11 -3.44 117.51 117.64 1jh3 h ILE 43 Ca 0.00 -1.98 -0.06 0.00 -0.12 0.00 0.00 64.86 62.70 1jh3 h ILE 43 Cb 0.51 2.82 -0.24 0.00 -3.03 0.00 0.00 36.82 36.88 1jh3 h ILE 43 CO 0.00 0.49 -0.45 -0.44 -0.68 0.00 0.00 178.15 177.07 1jh3 s SER 44 N -6.04 -0.82 0.25 1.72 0.01 -1.21 -5.03 113.70 102.59 1jh3 s SER 44 Ca -0.17 -0.09 0.25 0.00 1.31 0.00 0.00 55.95 57.25 1jh3 s SER 44 Cb -0.02 1.66 0.66 0.00 0.21 0.00 0.00 66.02 68.54 1jh3 s SER 44 CO 0.62 -0.32 1.70 1.55 0.41 0.00 0.00 173.24 177.20 1jh3 h PRO 45 N 8.01 0.00 -6.35 12.44 0.13 -1.81 -3.30 132.00 141.12 1jh3 h PRO 45 Ca -0.04 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.53 1jh3 h PRO 45 Cb 1.16 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 1jh3 h PRO 45 CO 0.19 0.00 0.95 0.45 -0.23 0.00 0.00 178.00 179.36 1jh3 s SER 46 N -4.88 6.72 0.35 1.44 0.15 -1.26 -4.87 113.70 111.36 1jh3 s SER 46 Ca 0.09 1.18 0.10 0.00 0.70 0.00 0.00 55.95 58.02 1jh3 s SER 46 Cb 0.11 -2.54 0.86 0.00 -1.71 0.00 0.00 66.02 62.74 1jh3 s SER 46 CO 0.62 -1.04 1.83 0.50 1.20 0.00 0.00 173.24 176.35 1jh3 h LYS 47 N 9.06 0.63 0.42 5.44 1.63 -1.99 0.33 116.57 132.09 1jh3 h LYS 47 Ca -0.25 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.49 1jh3 h LYS 47 Cb 1.09 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.58 1jh3 h LYS 47 CO 1.03 0.41 -0.20 -0.09 -3.45 0.00 0.00 179.45 177.15 1jh3 h ARG 48 N 0.64 -0.55 -0.27 1.90 1.12 -1.96 -1.81 114.38 113.47 1jh3 h ARG 48 Ca 0.51 0.04 0.02 0.00 -1.11 0.00 0.00 59.98 59.43 1jh3 h ARG 48 Cb 0.93 0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 30.99 1jh3 h ARG 48 CO -0.26 -0.33 0.14 0.37 -3.11 0.00 0.00 179.97 176.78 1jh3 h GLN 49 N -0.63 0.28 -0.52 0.20 5.75 -1.02 -1.61 115.11 117.55 1jh3 h GLN 49 Ca -0.06 -0.02 0.09 0.00 -0.15 0.00 0.00 58.65 58.52 1jh3 h GLN 49 Cb 0.47 -0.06 -0.10 0.00 1.07 0.00 0.00 27.48 28.85 1jh3 h GLN 49 CO 0.10 0.19 -0.37 0.00 -2.65 0.00 0.00 178.83 176.09 1jh3 h ALA 50 N 1.13 -0.19 -0.30 3.38 0.00 -0.51 0.50 119.26 123.28 1jh3 h ALA 50 Ca 0.11 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1jh3 h ALA 50 Cb 0.02 0.82 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1jh3 h ALA 50 CO -0.07 -0.75 -0.09 0.00 0.00 0.00 0.00 179.25 178.35 1jh3 h ARG 51 N -0.22 0.49 0.02 0.00 3.08 -0.65 0.17 114.38 117.26 1jh3 h ARG 51 Ca 0.20 -0.13 -0.24 0.00 0.07 0.00 0.00 59.98 59.88 1jh3 h ARG 51 Cb 0.56 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.55 1jh3 h ARG 51 CO -0.64 0.58 -0.99 1.49 -1.07 0.00 0.00 179.97 179.34 1jh3 h GLU 52 N 0.46 0.44 0.00 0.04 4.81 -0.37 0.15 114.58 120.10 1jh3 h GLU 52 Ca 0.09 -0.50 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1jh3 h GLU 52 Cb 0.43 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1jh3 h GLU 52 CO 0.02 1.15 0.00 -0.44 -0.73 0.00 0.00 179.01 179.02 1jh3 h ASP 53 N 0.24 0.00 0.00 1.04 5.19 0.62 0.77 116.42 124.28 1jh3 h ASP 53 Ca -0.09 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.10 1jh3 h ASP 53 Cb 1.64 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 41.12 1jh3 h ASP 53 CO 0.17 0.00 -1.32 -0.38 -3.12 0.00 0.00 179.24 174.60 1jh3 n ILE 54 N -2.70 1.51 0.67 0.35 -0.00 0.52 -4.52 119.36 115.19 1jh3 n ILE 54 Ca -0.01 -0.03 0.07 0.00 -0.00 0.00 0.00 62.75 62.79 1jh3 n ILE 54 Cb 0.14 -2.11 0.36 0.00 -0.00 0.00 0.00 39.64 38.03 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 -4.44 0.17 -2.74 0.38 6.02 0.50 -4.28 117.38 112.99 1jh3 n GLN 55 Ca -0.30 0.16 -0.40 0.00 -0.01 0.00 0.00 57.00 56.46 1jh3 n GLN 55 Cb 0.62 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.32 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 -2.65 7.64 0.00 1.08 0.02 0.20 -4.88 114.94 116.35 1jh3 s ASN 56 Ca 0.13 1.95 0.00 0.00 -1.02 0.00 0.00 52.86 53.92 1jh3 s ASN 56 Cb 0.10 -2.61 0.00 0.00 0.02 0.00 0.00 41.25 38.76 1jh3 s ASN 56 CO 0.24 0.15 0.42 0.61 0.02 0.00 0.00 177.10 178.53 1jh3 n GLY 57 N 1.52 0.93 0.26 0.66 0.00 -1.26 -1.71 105.19 105.58 1jh3 n GLY 57 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.03 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 0.56 2.28 -3.54 4.61 0.00 -1.26 -4.81 120.51 118.35 1jh3 n ALA 58 Ca 0.00 -0.81 -0.41 0.00 0.00 0.00 0.00 53.44 52.22 1jh3 n ALA 58 Cb 0.21 -0.19 -0.07 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.72 4.46 -0.56 0.00 -1.16 -0.69 -0.19 121.20 122.32 1jh3 s ILE 59 Ca 0.09 -2.36 -0.28 0.00 -0.51 0.00 0.00 60.65 57.59 1jh3 s ILE 59 Cb 0.05 -3.87 0.03 0.00 0.61 0.00 0.00 42.46 39.29 1jh3 s ILE 59 CO 0.07 -0.88 1.19 -0.31 -2.81 0.00 0.00 174.94 172.19 1jh3 s TYR 60 N 0.57 2.64 -0.15 3.50 1.51 -0.58 -1.75 117.35 123.08 1jh3 s TYR 60 Ca 0.13 0.46 -0.26 0.00 -1.01 0.00 0.00 57.07 56.39 1jh3 s TYR 60 Cb -0.20 -4.51 -0.02 0.00 -0.11 0.00 0.00 41.96 37.13 1jh3 s TYR 60 CO -0.04 -1.54 0.85 0.08 -1.11 0.00 0.00 175.55 173.79 1jh3 s VAL 61 N 4.89 4.88 -1.29 0.71 1.01 0.65 -0.39 120.40 130.86 1jh3 s VAL 61 Ca 0.44 1.69 0.00 0.00 0.00 0.00 0.00 61.98 64.11 1jh3 s VAL 61 Cb -0.07 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1jh3 s VAL 61 CO 0.26 0.05 0.00 0.59 0.00 0.00 0.00 175.10 176.00 1jh3 n ASN 62 N 5.04 -4.19 0.00 3.32 3.02 -0.12 -1.14 115.26 121.20 1jh3 n ASN 62 Ca 0.05 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 1jh3 n ASN 62 Cb 0.49 -3.62 0.00 0.00 -0.61 0.00 0.00 39.78 36.04 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 -0.70 0.49 3.16 7.41 0.00 -1.25 -5.00 105.19 109.30 1jh3 n GLY 63 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.90 3.04 -0.32 1.61 2.56 -0.29 -4.94 118.70 119.46 1jh3 s GLU 64 Ca 0.00 -0.82 -0.31 0.00 0.00 0.00 0.00 54.97 53.83 1jh3 s GLU 64 Cb 0.00 -2.53 -0.08 0.00 2.00 0.00 0.00 34.13 33.51 1jh3 s GLU 64 CO 0.00 -0.10 2.24 -2.13 -0.56 0.00 0.00 175.26 174.70 1jh3 n ARG 65 N 4.34 1.44 -3.50 4.30 0.00 -1.26 -0.25 116.66 121.72 1jh3 n ARG 65 Ca -0.20 0.37 -0.23 0.00 -0.00 0.00 0.00 57.85 57.79 1jh3 n ARG 65 Cb 0.51 -2.87 -0.13 0.00 0.00 0.00 0.00 32.46 29.96 1jh3 n ARG 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1jh3 s LEU 66 N 8.22 0.16 -0.34 6.15 1.43 -0.72 -4.90 118.68 128.68 1jh3 s LEU 66 Ca 1.05 -0.81 0.12 0.00 -1.03 0.00 0.00 54.13 53.47 1jh3 s LEU 66 Cb -0.58 0.05 0.46 0.00 0.03 0.00 0.00 46.19 46.15 1jh3 s LEU 66 CO 0.41 -0.39 1.10 0.00 0.23 0.00 0.00 176.35 177.70 1jh3 n GLN 67 N 5.29 2.69 -3.63 1.70 0.00 -1.26 -4.56 117.38 117.60 1jh3 n GLN 67 Ca -0.05 -3.96 -0.13 0.00 0.00 0.00 0.00 57.00 52.85 1jh3 n GLN 67 Cb 0.46 -1.93 -0.06 0.00 0.00 0.00 0.00 30.24 28.71 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 -3.52 -0.35 0.26 2.61 2.15 -1.26 -4.24 116.67 112.31 1jh3 s ASP 68 Ca 0.41 0.11 -0.04 0.00 0.43 0.00 0.00 52.55 53.46 1jh3 s ASP 68 Cb 0.40 0.45 0.31 0.00 -0.30 0.00 0.00 42.92 43.78 1jh3 s ASP 68 CO -0.05 -0.66 1.82 0.58 -0.17 0.00 0.00 175.17 176.68 1jh3 h VAL 69 N 2.99 1.24 0.00 1.11 2.07 -1.97 -0.79 116.25 120.90 1jh3 h VAL 69 Ca -0.31 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1jh3 h VAL 69 Cb 1.20 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1jh3 h VAL 69 CO 0.42 0.31 0.00 0.61 0.02 0.00 0.00 177.57 178.93 1jh3 n GLY 70 N -0.90 -0.80 0.08 2.17 0.00 -1.26 -3.37 105.19 101.12 1jh3 n GLY 70 Ca 0.05 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.11 0.60 -3.00 4.61 0.00 -0.37 -5.04 120.51 116.21 1jh3 n ALA 71 Ca 0.14 -0.50 -0.10 0.00 0.00 0.00 0.00 53.44 52.98 1jh3 n ALA 71 Cb 0.11 -0.13 -0.11 0.00 0.00 0.00 0.00 19.45 19.32 1jh3 n ALA 71 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1jh3 s ILE 72 N -2.34 0.08 0.00 0.00 1.09 -0.82 -4.99 121.20 114.22 1jh3 s ILE 72 Ca -0.21 -0.70 0.00 0.00 -1.10 0.00 0.00 60.65 58.65 1jh3 s ILE 72 Cb 0.04 -0.26 0.00 0.00 -1.06 0.00 0.00 42.46 41.17 1jh3 s ILE 72 CO 0.34 -0.38 0.00 0.18 -0.10 0.00 0.00 174.94 174.98 1jh3 n LEU 73 N 1.83 0.00 0.00 2.97 4.77 -1.26 -3.00 117.00 122.31 1jh3 n LEU 73 Ca -0.22 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.76 1jh3 n LEU 73 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1jh3 n LEU 73 CO 0.21 0.00 0.00 0.35 -1.33 0.00 0.00 177.39 176.62 1jh3 n THR 74 N 0.00 0.00 -0.02 -5.08 -2.24 -1.22 -3.96 114.28 101.77 1jh3 n THR 74 Ca 0.00 -0.05 -0.09 0.00 -2.27 0.00 0.00 64.05 61.63 1jh3 n THR 74 Cb 0.00 -0.57 -0.04 0.00 -2.10 0.00 0.00 70.33 67.62 1jh3 n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jh3 h ALA 75 N 0.71 0.08 0.00 6.98 0.00 -1.91 -1.39 119.26 123.73 1jh3 h ALA 75 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1jh3 h ALA 75 Cb 0.03 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1jh3 h ALA 75 CO 0.01 -0.49 0.00 1.49 0.00 0.00 0.00 179.25 180.26 1jh3 h GLU 76 N -0.01 0.00 -0.00 0.00 4.81 -1.80 0.37 114.58 117.94 1jh3 h GLU 76 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1jh3 h GLU 76 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1jh3 h GLU 76 CO -0.15 0.00 -0.19 1.58 -0.73 0.00 0.00 179.01 179.51 1jh3 n HIS 77 N -2.76 0.00 0.02 0.92 -0.00 -0.57 -4.54 115.22 108.29 1jh3 n HIS 77 Ca -0.00 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 58.17 1jh3 n HIS 77 Cb 0.17 -0.20 -0.00 0.00 -0.12 0.00 0.00 29.99 29.84 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 -0.99 0.01 -2.24 1.57 0.00 -0.38 -4.75 116.66 109.87 1jh3 n ARG 78 Ca 0.12 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.70 1jh3 n ARG 78 Cb 0.31 -0.27 0.15 0.00 0.00 0.00 0.00 32.46 32.66 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 -6.01 2.83 0.58 6.15 2.34 -0.02 -4.95 118.68 119.60 1jh3 s LEU 79 Ca -0.00 -0.06 0.28 0.00 0.06 0.00 0.00 54.13 54.41 1jh3 s LEU 79 Cb 0.00 -2.09 1.63 0.00 -0.56 0.00 0.00 46.19 45.16 1jh3 s LEU 79 CO 0.01 -2.37 2.10 1.05 -1.06 0.00 0.00 176.35 176.07 1jh3 h GLU 80 N -1.15 0.00 0.00 1.48 4.11 -1.80 -3.33 114.58 113.89 1jh3 h GLU 80 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.03 1jh3 h GLU 80 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1jh3 h GLU 80 CO 0.38 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.87 1jh3 n GLY 81 N -1.42 0.70 0.00 1.06 0.00 -1.26 -4.53 105.19 99.74 1jh3 n GLY 81 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.11 1.61 5.12 -1.26 -4.81 116.66 116.21 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 -0.04 -3.65 -1.55 3.01 -1.26 -4.44 117.46 108.81 1jh3 n PHE 83 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.33 1jh3 n PHE 83 Cb 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.39 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 -0.09 -0.00 0.15 4.37 2.01 0.39 -4.51 115.64 117.97 1jh3 s THR 84 Ca 0.00 0.00 -0.25 0.00 0.31 0.00 0.00 61.69 61.75 1jh3 s THR 84 Cb 0.00 -0.91 -0.08 0.00 0.01 0.00 0.00 72.50 71.52 1jh3 s THR 84 CO 0.00 0.00 0.78 -0.69 -0.69 0.00 0.00 174.62 174.02 1jh3 s VAL 85 N 0.51 4.40 -0.50 3.82 1.01 -1.26 -1.45 120.40 126.94 1jh3 s VAL 85 Ca -0.01 1.71 -0.00 0.00 0.00 0.00 0.00 61.98 63.68 1jh3 s VAL 85 Cb -0.05 -4.14 0.13 0.00 0.00 0.00 0.00 36.38 32.32 1jh3 s VAL 85 CO -0.02 0.50 0.27 -0.63 0.00 0.00 0.00 175.10 175.23 1jh3 s ILE 86 N -1.00 3.11 -1.22 2.22 -1.09 0.49 -0.94 121.20 122.77 1jh3 s ILE 86 Ca 0.36 -2.70 -0.11 0.00 -2.23 0.00 0.00 60.65 55.97 1jh3 s ILE 86 Cb -0.23 -3.11 0.19 0.00 -1.58 0.00 0.00 42.46 37.73 1jh3 s ILE 86 CO 0.26 -0.76 1.59 -1.14 -1.23 0.00 0.00 174.94 173.66 1jh3 n ARG 87 N 3.82 3.59 -2.51 2.79 0.63 0.48 -0.90 116.66 124.56 1jh3 n ARG 87 Ca 0.04 -3.84 -0.40 0.00 -0.92 0.00 0.00 57.85 52.73 1jh3 n ARG 87 Cb 0.38 -2.90 -0.03 0.00 0.45 0.00 0.00 32.46 30.36 1jh3 n ARG 87 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1jh3 s ARG 88 N 0.42 3.40 0.48 -0.14 6.06 -0.17 -1.53 118.95 127.47 1jh3 s ARG 88 Ca 0.39 -0.81 0.25 0.00 -2.50 0.00 0.00 55.73 53.06 1jh3 s ARG 88 Cb 0.02 -5.04 1.29 0.00 0.06 0.00 0.00 34.95 31.28 1jh3 s ARG 88 CO 0.01 -2.30 1.86 0.78 -2.50 0.00 0.00 175.30 173.15 1jh3 h GLY 89 N 13.32 0.46 2.00 8.12 0.00 -0.80 0.16 103.07 126.34 1jh3 h GLY 89 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1jh3 h GLY 89 CO 1.37 -0.02 0.00 1.17 0.00 0.00 0.00 176.54 179.07 1jh3 n LYS 90 N -4.40 0.10 0.00 4.80 0.00 -1.26 -4.61 118.16 112.79 1jh3 n LYS 90 Ca 0.20 0.41 0.00 0.00 0.00 0.00 0.00 58.31 58.91 1jh3 n LYS 90 Cb 0.85 -1.72 0.00 0.00 0.00 0.00 0.00 35.03 34.16 1jh3 n LYS 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1jh3 n LYS 91 N -1.91 0.00 0.00 1.64 3.00 0.46 -5.19 118.16 116.15 1jh3 n LYS 91 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1jh3 n LYS 91 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.18 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 -3.46 1.64 3.00 -0.59 -4.99 118.16 113.77 1jh3 n LYS 92 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.95 1jh3 n LYS 92 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.98 1jh3 n LYS 92 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1jh3 n TYR 93 N 0.00 3.73 -1.77 5.64 4.01 -1.25 -1.00 117.16 126.53 1jh3 n TYR 93 Ca 0.00 -3.82 -0.30 0.00 -0.16 0.00 0.00 57.90 53.62 1jh3 n TYR 93 Cb 0.00 -1.05 0.06 0.00 -0.31 0.00 0.00 39.34 38.04 1jh3 n TYR 93 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1jh3 s TYR 94 N -1.91 3.15 -0.08 -0.72 1.51 -0.08 -4.67 117.35 114.55 1jh3 s TYR 94 Ca 0.31 1.09 0.03 0.00 -1.01 0.00 0.00 57.07 57.49 1jh3 s TYR 94 Cb 0.00 -3.09 0.01 0.00 -0.11 0.00 0.00 41.96 38.77 1jh3 s TYR 94 CO -0.05 -1.39 -0.17 -1.17 -1.11 0.00 0.00 175.55 171.66 1jh3 s LEU 95 N -5.51 1.83 -0.08 -1.29 2.96 -1.21 -0.38 118.68 115.00 1jh3 s LEU 95 Ca 0.59 -0.41 0.03 0.00 -0.22 0.00 0.00 54.13 54.12 1jh3 s LEU 95 Cb -0.12 -1.07 0.01 0.00 0.50 0.00 0.00 46.19 45.50 1jh3 s LEU 95 CO 0.53 0.09 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.84 1jh3 s ILE 96 N 0.54 1.53 0.30 6.68 -1.09 -0.53 -0.72 121.20 127.91 1jh3 s ILE 96 Ca -0.16 -0.70 0.03 0.00 -2.23 0.00 0.00 60.65 57.59 1jh3 s ILE 96 Cb -0.17 -1.36 -0.01 0.00 -1.58 0.00 0.00 42.46 39.34 1jh3 s ILE 96 CO 0.06 0.44 0.12 -1.14 -1.23 0.00 0.00 174.94 173.19 1jh3 n ARG 97 N 3.77 0.63 -4.48 2.79 0.63 -0.21 -0.46 116.66 119.33 1jh3 n ARG 97 Ca -0.21 -2.58 -0.23 0.00 -0.92 0.00 0.00 57.85 53.91 1jh3 n ARG 97 Cb 0.52 1.47 -0.10 0.00 0.45 0.00 0.00 32.46 34.79 1jh3 n ARG 97 CO 0.00 0.00 0.00 1.52 -2.51 0.00 0.00 177.63 176.64 1jh3 s TYR 98 N -2.73 2.14 -2.00 -0.14 -0.85 -1.26 -1.56 117.35 110.95 1jh3 s TYR 98 Ca 0.17 -0.65 0.19 0.00 -0.52 0.00 0.00 57.07 56.25 1jh3 s TYR 98 Cb 0.01 -1.26 1.12 0.00 0.38 0.00 0.00 41.96 42.21 1jh3 s TYR 98 CO 0.12 0.37 1.51 0.00 -1.52 0.00 0.00 175.55 176.03