#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mjh n SER 38 N 0.00 1.84 -4.36 6.43 3.41 -1.26 -4.99 113.62 114.69 3mjh n SER 38 Ca 0.00 -1.51 -0.24 0.00 -0.26 0.00 0.00 58.87 56.86 3mjh n SER 38 Cb 0.00 -0.04 -0.12 0.00 -0.26 0.00 0.00 64.21 63.79 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 -0.66 1.34 0.00 4.33 2.12 -1.26 -5.04 118.70 119.53 3mjh s GLU 39 Ca 0.09 -1.42 0.00 0.00 0.36 0.00 0.00 54.97 53.99 3mjh s GLU 39 Cb 0.05 -1.52 0.00 0.00 0.26 0.00 0.00 34.13 32.92 3mjh s GLU 39 CO 0.07 0.32 0.00 0.41 -0.54 0.00 0.00 175.26 175.53 3mjh n GLY 40 N 0.38 0.50 2.91 -1.50 0.00 -1.26 -4.88 105.19 101.34 3mjh n GLY 40 Ca -0.14 -2.05 -0.43 0.00 0.00 0.00 0.00 46.02 43.41 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 2.32 2.61 -3.67 1.61 3.01 -1.26 -4.96 117.46 117.12 3mjh n PHE 41 Ca 0.00 -2.69 -0.36 0.00 1.01 0.00 0.00 57.45 55.41 3mjh n PHE 41 Cb 0.00 -1.65 -0.07 0.00 -0.01 0.00 0.00 39.48 37.76 3mjh n PHE 41 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3mjh s ILE 42 N -1.01 5.35 -0.14 4.37 1.01 -1.26 -1.56 121.20 127.95 3mjh s ILE 42 Ca 0.36 0.41 -0.29 0.00 0.00 0.00 0.00 60.65 61.13 3mjh s ILE 42 Cb 0.08 -3.54 -0.02 0.00 0.01 0.00 0.00 42.46 38.99 3mjh s ILE 42 CO 0.05 0.49 1.33 0.00 0.00 0.00 0.00 174.94 176.81 3mjh n PRO 44 N 6.66 0.15 -0.03 0.00 -0.04 -1.26 -0.43 135.00 140.05 3mjh n PRO 44 Ca 0.14 0.39 -0.22 0.00 -0.04 0.00 0.00 63.50 63.78 3mjh n PRO 44 Cb 0.44 -1.79 -0.13 0.00 -0.04 0.00 0.00 33.50 31.98 3mjh n PRO 44 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3mjh n GLN 45 N -2.08 0.71 0.00 0.54 -0.06 -1.26 -4.64 117.38 110.59 3mjh n GLN 45 Ca 0.02 0.33 0.01 0.00 -2.00 0.00 0.00 57.00 55.36 3mjh n GLN 45 Cb 0.21 -1.70 -0.00 0.00 -4.06 0.00 0.00 30.24 24.69 3mjh n GLN 45 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3mjh n MET 47 N -0.44 -0.32 -2.08 0.00 2.81 0.43 -5.02 117.12 112.51 3mjh n MET 47 Ca 0.00 0.08 -0.41 0.00 -1.81 0.00 0.00 57.70 55.57 3mjh n MET 47 Cb 0.02 -3.30 -0.02 0.00 -0.71 0.00 0.00 33.22 29.21 3mjh n MET 47 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3mjh s LYS 48 N -0.36 4.33 -0.09 0.03 1.02 -1.25 -4.63 119.74 118.79 3mjh s LYS 48 Ca 0.00 2.26 -0.00 0.00 0.02 0.00 0.00 55.97 58.24 3mjh s LYS 48 Cb 0.00 -3.06 -0.03 0.00 -0.52 0.00 0.00 37.83 34.22 3mjh s LYS 48 CO 0.00 -0.23 -0.06 0.45 -0.92 0.00 0.00 175.35 174.59 3mjh s SER 49 N -0.44 4.66 0.09 2.83 0.15 -1.26 0.16 113.70 119.88 3mjh s SER 49 Ca 0.49 -0.05 0.06 0.00 0.70 0.00 0.00 55.95 57.15 3mjh s SER 49 Cb -0.40 -1.31 -0.03 0.00 -1.71 0.00 0.00 66.02 62.56 3mjh s SER 49 CO 0.54 0.32 -0.16 -0.76 1.20 0.00 0.00 173.24 174.38 3mjh s LEU 50 N -0.54 2.31 0.07 3.45 1.02 -0.60 -4.99 118.68 119.39 3mjh s LEU 50 Ca 0.08 -0.67 0.15 0.00 0.02 0.00 0.00 54.13 53.72 3mjh s LEU 50 Cb -0.12 -0.60 0.66 0.00 0.02 0.00 0.00 46.19 46.15 3mjh s LEU 50 CO 0.02 -0.06 1.48 0.61 0.02 0.00 0.00 176.35 178.42 3mjh n GLY 51 N 1.09 -1.01 3.53 -3.19 0.00 -1.26 -4.22 105.19 100.13 3mjh n GLY 51 Ca -0.20 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 3mjh n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mjh s SER 52 N -3.31 -0.31 0.13 1.61 1.04 -1.26 -5.00 113.70 106.60 3mjh s SER 52 Ca 0.05 -0.42 -0.12 0.00 0.48 0.00 0.00 55.95 55.95 3mjh s SER 52 Cb 0.08 0.59 -0.05 0.00 0.10 0.00 0.00 66.02 66.74 3mjh s SER 52 CO 0.27 -1.06 1.46 0.00 0.98 0.00 0.00 173.24 174.89 3mjh h ALA 53 N 2.16 0.52 0.04 5.32 0.00 -1.94 -1.89 119.26 123.47 3mjh h ALA 53 Ca -0.29 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.22 3mjh h ALA 53 Cb 1.27 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3mjh h ALA 53 CO 0.36 0.58 -0.20 -0.44 0.00 0.00 0.00 179.25 179.56 3mjh h ASP 54 N 0.66 -0.57 -0.74 0.00 5.19 -1.99 -1.28 116.42 117.68 3mjh h ASP 54 Ca 0.06 0.08 0.16 0.00 -0.62 0.00 0.00 57.03 56.70 3mjh h ASP 54 Cb 0.91 0.23 -0.11 0.00 0.18 0.00 0.00 39.33 40.55 3mjh h ASP 54 CO 0.08 -0.27 0.20 -0.33 -3.12 0.00 0.00 179.24 175.80 3mjh h GLU 55 N -0.34 0.29 -0.21 3.56 5.08 -1.93 -1.80 114.58 119.22 3mjh h GLU 55 Ca 0.05 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3mjh h GLU 55 Cb 0.39 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3mjh h GLU 55 CO -0.16 0.19 0.10 1.25 -1.00 0.00 0.00 179.01 179.40 3mjh h LEU 56 N 0.29 0.28 -0.73 1.33 5.85 -0.85 -1.30 115.31 120.17 3mjh h LEU 56 Ca 0.42 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 3mjh h LEU 56 Cb 0.70 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 3mjh h LEU 56 CO -0.49 0.32 0.33 0.15 -0.34 0.00 0.00 178.44 178.41 3mjh h PHE 57 N 0.22 1.08 -0.75 1.25 3.57 -0.86 0.04 116.94 121.49 3mjh h PHE 57 Ca 0.07 -0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 3mjh h PHE 57 Cb 0.12 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.50 3mjh h PHE 57 CO -0.02 0.80 0.28 0.87 -2.23 0.00 0.00 178.31 178.01 3mjh h LYS 58 N 1.04 1.13 -0.05 1.11 1.57 -1.21 -1.34 116.57 118.83 3mjh h LYS 58 Ca 0.25 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3mjh h LYS 58 Cb 0.15 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 3mjh h LYS 58 CO -0.03 0.93 0.02 1.25 -0.57 0.00 0.00 179.45 181.06 3mjh h HIS 59 N 1.09 0.07 -0.86 -1.35 -0.00 -0.80 -2.13 115.15 111.17 3mjh h HIS 59 Ca 0.25 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.58 3mjh h HIS 59 Cb 0.24 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.59 3mjh h HIS 59 CO 0.02 0.17 0.41 -0.92 -0.00 0.00 0.00 177.93 177.61 3mjh h TYR 60 N -0.06 1.23 -0.57 5.26 3.20 -0.90 -1.03 116.97 124.11 3mjh h TYR 60 Ca 0.02 -0.06 -0.11 0.00 3.14 0.00 0.00 58.73 61.72 3mjh h TYR 60 Cb 0.13 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 3mjh h TYR 60 CO -0.03 0.89 -0.06 0.93 -1.64 0.00 0.00 178.16 178.24 3mjh h GLU 61 N 1.22 1.05 -0.28 1.82 4.39 -1.23 0.99 114.58 122.53 3mjh h GLU 61 Ca 0.29 -0.36 -0.15 0.00 0.34 0.00 0.00 59.36 59.48 3mjh h GLU 61 Cb 0.11 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3mjh h GLU 61 CO -0.04 1.06 -0.42 0.00 -1.16 0.00 0.00 179.01 178.45 3mjh h ALA 62 N 0.95 0.74 0.00 3.43 0.00 -1.03 -3.06 119.26 120.29 3mjh h ALA 62 Ca 0.15 -0.46 -0.24 0.00 0.00 0.00 0.00 54.91 54.37 3mjh h ALA 62 Cb 0.63 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3mjh h ALA 62 CO 0.04 0.66 -1.89 0.28 0.00 0.00 0.00 179.25 178.34 3mjh n VAL 63 N -4.03 0.90 0.23 0.00 0.31 -0.42 -4.62 118.33 110.70 3mjh n VAL 63 Ca -0.02 -0.37 0.04 0.00 -0.01 0.00 0.00 64.34 63.98 3mjh n VAL 63 Cb 0.54 -1.01 -0.05 0.00 -0.91 0.00 0.00 33.84 32.41 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 -2.90 0.00 -2.70 3.52 8.25 0.16 -4.64 115.22 116.92 3mjh n HIS 64 Ca -0.27 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.06 3mjh n HIS 64 Cb 0.81 -0.07 0.02 0.00 1.12 0.00 0.00 29.99 31.86 3mjh n HIS 64 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3mjh n ASP 65 N -1.42 1.99 -0.36 0.41 2.03 -0.14 -4.82 116.55 114.24 3mjh n ASP 65 Ca 0.00 -2.93 0.08 0.00 0.52 0.00 0.00 54.79 52.46 3mjh n ASP 65 Cb 0.16 -0.53 -0.01 0.00 -0.72 0.00 0.00 41.12 40.03 3mjh n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3mjh n ALA 66 N -0.10 3.22 -2.97 -1.67 0.00 -1.15 -4.72 120.51 113.13 3mjh n ALA 66 Ca 0.16 -0.54 -0.12 0.00 0.00 0.00 0.00 53.44 52.95 3mjh n ALA 66 Cb 0.76 -0.58 0.05 0.00 0.00 0.00 0.00 19.45 19.68 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 1.17 0.09 0.00 0.00 0.00 -1.26 -4.93 105.19 100.26 3mjh n GLY 67 Ca 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3mjh n GLY 67 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mjh n ASN 68 N -1.44 0.24 -0.76 1.61 5.03 -1.26 -5.27 115.26 113.40 3mjh n ASN 68 Ca -0.06 -0.99 0.10 0.00 0.87 0.00 0.00 54.58 54.49 3mjh n ASN 68 Cb 0.56 0.00 0.08 0.00 -1.02 0.00 0.00 39.78 39.40 3mjh n ASN 68 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53