#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mjh n SER 37 N 0.00 3.06 -0.12 -3.46 2.88 -1.26 -4.88 113.62 109.84 3mjh n SER 37 Ca 0.00 1.11 0.13 0.00 -1.33 0.00 0.00 58.87 58.78 3mjh n SER 37 Cb 0.00 -1.57 0.71 0.00 -0.75 0.00 0.00 64.21 62.60 3mjh n SER 37 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3mjh n SER 38 N -0.09 0.38 -3.88 -3.46 3.41 -1.26 -4.76 113.62 103.96 3mjh n SER 38 Ca 0.06 -1.27 -0.12 0.00 -0.26 0.00 0.00 58.87 57.28 3mjh n SER 38 Cb 0.41 -0.01 -0.14 0.00 -0.26 0.00 0.00 64.21 64.21 3mjh n SER 38 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3mjh s GLU 39 N -1.98 0.04 0.00 4.33 2.12 -1.26 -5.06 118.70 116.89 3mjh s GLU 39 Ca 0.39 -0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.68 3mjh s GLU 39 Cb 0.19 -0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.56 3mjh s GLU 39 CO 0.31 0.00 0.00 0.41 -0.54 0.00 0.00 175.26 175.44 3mjh n GLY 40 N 3.00 0.87 2.46 -1.50 0.00 -1.26 -4.89 105.19 103.87 3mjh n GLY 40 Ca -0.13 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 3mjh n GLY 40 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mjh n PHE 41 N 9.00 2.77 -2.76 1.61 3.72 -1.26 -4.93 117.46 125.61 3mjh n PHE 41 Ca 0.00 -3.03 -0.41 0.00 -0.05 0.00 0.00 57.45 53.96 3mjh n PHE 41 Cb 0.00 -2.50 -0.04 0.00 -0.94 0.00 0.00 39.48 36.00 3mjh n PHE 41 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3mjh s ILE 42 N 2.56 4.57 -0.24 4.37 1.01 -1.26 -1.84 121.20 130.38 3mjh s ILE 42 Ca 0.62 2.01 -0.29 0.00 0.00 0.00 0.00 60.65 62.99 3mjh s ILE 42 Cb 0.16 -4.30 -0.01 0.00 0.01 0.00 0.00 42.46 38.33 3mjh s ILE 42 CO -0.07 0.31 1.29 0.00 0.00 0.00 0.00 174.94 176.47 3mjh h PRO 44 N 8.82 0.00 0.17 0.00 0.13 -1.95 0.36 132.00 139.53 3mjh h PRO 44 Ca -0.26 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.60 3mjh h PRO 44 Cb 1.10 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.25 3mjh h PRO 44 CO 1.00 0.00 -1.27 1.96 -0.23 0.00 0.00 178.00 179.47 3mjh h GLN 45 N 0.00 0.37 0.00 0.86 1.08 -1.97 -3.40 115.11 112.05 3mjh h GLN 45 Ca 0.00 -0.62 0.00 0.00 -1.45 0.00 0.00 58.65 56.58 3mjh h GLN 45 Cb 0.16 0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 3mjh h GLN 45 CO 0.00 1.30 0.00 0.00 -0.95 0.00 0.00 178.83 179.18 3mjh n MET 47 N -0.15 -1.13 -1.67 0.00 2.81 0.12 -4.96 117.12 112.14 3mjh n MET 47 Ca 0.00 0.28 -0.46 0.00 -1.81 0.00 0.00 57.70 55.72 3mjh n MET 47 Cb 0.14 -4.37 -0.04 0.00 -0.71 0.00 0.00 33.22 28.24 3mjh n MET 47 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 3mjh n LYS 48 N -0.50 2.23 -3.25 0.03 4.81 -1.25 -4.58 118.16 115.64 3mjh n LYS 48 Ca 0.00 0.81 -0.40 0.00 -0.87 0.00 0.00 58.31 57.85 3mjh n LYS 48 Cb 0.28 -2.60 -0.07 0.00 0.02 0.00 0.00 35.03 32.66 3mjh n LYS 48 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3mjh s SER 49 N 1.41 6.45 0.23 3.14 0.15 -1.26 -0.27 113.70 123.54 3mjh s SER 49 Ca 0.80 0.54 0.08 0.00 0.70 0.00 0.00 55.95 58.07 3mjh s SER 49 Cb -0.66 -2.28 -0.04 0.00 -1.71 0.00 0.00 66.02 61.33 3mjh s SER 49 CO 0.39 -0.25 0.04 -0.76 1.20 0.00 0.00 173.24 173.86 3mjh s LEU 50 N 2.12 3.36 0.45 3.45 1.43 -0.76 -5.00 118.68 123.72 3mjh s LEU 50 Ca 0.21 -0.48 0.24 0.00 -1.03 0.00 0.00 54.13 53.08 3mjh s LEU 50 Cb -0.16 -1.93 0.48 0.00 0.03 0.00 0.00 46.19 44.62 3mjh s LEU 50 CO 0.09 0.03 1.66 1.23 0.23 0.00 0.00 176.35 179.59 3mjh h GLY 51 N 2.11 0.00 -2.55 -3.19 0.00 -1.94 -3.37 103.07 94.14 3mjh h GLY 51 Ca -0.46 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.76 3mjh h GLY 51 CO 0.60 0.00 -0.30 -1.35 0.00 0.00 0.00 176.54 175.49 3mjh s SER 52 N -6.15 0.01 0.15 0.19 1.04 -1.26 -4.97 113.70 102.71 3mjh s SER 52 Ca 0.06 -0.97 -0.16 0.00 0.48 0.00 0.00 55.95 55.35 3mjh s SER 52 Cb 0.06 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.67 3mjh s SER 52 CO 0.66 -0.97 1.80 0.00 0.98 0.00 0.00 173.24 175.71 3mjh h ALA 53 N 2.45 0.48 -0.80 5.32 0.00 -1.94 -2.01 119.26 122.77 3mjh h ALA 53 Ca -0.30 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.61 3mjh h ALA 53 Cb 1.24 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 3mjh h ALA 53 CO 0.45 -0.09 0.52 0.22 0.00 0.00 0.00 179.25 180.34 3mjh h ASP 54 N 0.48 0.89 -0.49 0.00 3.58 -1.99 0.17 116.42 119.06 3mjh h ASP 54 Ca 0.15 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.54 3mjh h ASP 54 Cb -0.02 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 40.79 3mjh h ASP 54 CO -0.05 0.63 0.19 -0.33 -2.88 0.00 0.00 179.24 176.80 3mjh h GLU 55 N 1.05 0.79 0.02 0.28 5.08 -1.93 -0.26 114.58 119.61 3mjh h GLU 55 Ca 0.30 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3mjh h GLU 55 Cb -0.08 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.03 3mjh h GLU 55 CO -0.08 0.67 -0.01 1.25 -1.00 0.00 0.00 179.01 179.84 3mjh h LEU 56 N 0.78 -0.03 -0.29 1.33 5.85 -0.49 0.20 115.31 122.66 3mjh h LEU 56 Ca 0.18 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.72 3mjh h LEU 56 Cb 0.19 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3mjh h LEU 56 CO -0.01 0.20 0.09 -0.26 -0.34 0.00 0.00 178.44 178.11 3mjh h PHE 57 N -0.26 0.15 0.07 1.25 0.04 -0.88 0.80 116.94 118.12 3mjh h PHE 57 Ca -0.00 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.81 3mjh h PHE 57 Cb 0.24 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.32 3mjh h PHE 57 CO 0.00 0.06 -0.32 0.87 -0.60 0.00 0.00 178.31 178.32 3mjh h LYS 58 N 0.21 -0.49 -0.13 1.51 1.57 -1.03 -1.78 116.57 116.42 3mjh h LYS 58 Ca 0.13 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.98 3mjh h LYS 58 Cb 0.11 0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 3mjh h LYS 58 CO -0.15 -0.33 -0.15 1.25 -0.57 0.00 0.00 179.45 179.51 3mjh h HIS 59 N -0.51 -0.38 -0.43 -1.35 2.76 -0.33 -2.30 115.15 112.61 3mjh h HIS 59 Ca 0.04 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.27 3mjh h HIS 59 Cb 0.56 0.19 -0.04 0.00 1.55 0.00 0.00 27.41 29.67 3mjh h HIS 59 CO -0.30 -0.22 0.20 -0.92 -1.30 0.00 0.00 177.93 175.39 3mjh h TYR 60 N -0.18 0.37 0.00 5.26 3.20 -0.74 -2.02 116.97 122.86 3mjh h TYR 60 Ca 0.09 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 3mjh h TYR 60 Cb 0.32 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 3mjh h TYR 60 CO -0.26 0.18 -0.35 0.93 -1.64 0.00 0.00 178.16 177.02 3mjh h GLU 61 N 0.41 0.00 0.00 1.82 4.39 -1.16 0.29 114.58 120.33 3mjh h GLU 61 Ca 0.19 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.72 3mjh h GLU 61 Cb 0.11 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 3mjh h GLU 61 CO -0.14 0.35 -0.79 0.00 -1.16 0.00 0.00 179.01 177.26 3mjh h ALA 62 N 1.65 0.51 0.00 3.43 0.00 -0.98 -3.36 119.26 120.52 3mjh h ALA 62 Ca -0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 54.91 54.14 3mjh h ALA 62 Cb 0.65 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3mjh h ALA 62 CO 0.04 0.99 -1.16 0.28 0.00 0.00 0.00 179.25 179.40 3mjh n VAL 63 N -3.33 0.17 0.33 0.00 0.31 -0.80 -4.86 118.33 110.15 3mjh n VAL 63 Ca 0.01 -0.10 0.04 0.00 -0.01 0.00 0.00 64.34 64.27 3mjh n VAL 63 Cb 0.84 -0.93 0.02 0.00 -0.91 0.00 0.00 33.84 32.86 3mjh n VAL 63 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3mjh n HIS 64 N -2.10 0.00 -3.45 3.52 8.25 0.10 -4.92 115.22 116.63 3mjh n HIS 64 Ca -0.04 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.99 3mjh n HIS 64 Cb 0.58 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.61 3mjh n HIS 64 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3mjh s ASP 65 N -0.79 6.00 -1.56 0.41 -1.08 -1.15 -4.82 116.67 113.67 3mjh s ASP 65 Ca 0.08 -1.43 -0.15 0.00 -0.52 0.00 0.00 52.55 50.53 3mjh s ASP 65 Cb 0.06 -2.13 0.11 0.00 -1.46 0.00 0.00 42.92 39.51 3mjh s ASP 65 CO 0.12 -0.64 0.82 0.00 0.52 0.00 0.00 175.17 176.00 3mjh n ALA 66 N 5.12 -1.22 0.00 3.66 0.00 -1.26 -2.16 120.51 124.64 3mjh n ALA 66 Ca -0.12 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3mjh n ALA 66 Cb 0.43 -3.83 0.00 0.00 0.00 0.00 0.00 19.45 16.05 3mjh n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mjh n GLY 67 N -1.48 1.54 0.00 0.00 0.00 -1.26 -4.86 105.19 99.13 3mjh n GLY 67 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3mjh n GLY 67 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3mjh n ASN 68 N 3.62 0.00 0.00 1.61 5.15 -0.92 -4.93 115.26 119.79 3mjh n ASN 68 Ca 0.00 -0.38 0.00 0.00 -0.60 0.00 0.00 54.58 53.60 3mjh n ASN 68 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 3mjh n ASN 68 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13