#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1myk s MET 7 N 0.00 4.25 -0.39 -1.58 1.00 -1.26 -5.02 119.30 116.30 1myk s MET 7 Ca 0.00 1.11 -0.10 0.00 0.00 0.00 0.00 55.69 56.70 1myk s MET 7 Cb 0.00 -3.62 0.05 0.00 0.00 0.00 0.00 34.83 31.26 1myk s MET 7 CO 0.00 -0.50 0.21 -0.51 0.00 0.00 0.00 175.02 174.23 1myk s LEU 8 N 2.74 4.84 0.45 -0.03 1.02 -1.26 -5.08 118.68 121.36 1myk s LEU 8 Ca 0.39 -1.21 -0.24 0.00 0.02 0.00 0.00 54.13 53.09 1myk s LEU 8 Cb -0.16 -1.99 -0.08 0.00 0.02 0.00 0.00 46.19 43.99 1myk s LEU 8 CO 0.09 -0.44 1.23 -1.58 0.02 0.00 0.00 176.35 175.67 1myk s GLN 9 N 1.48 3.77 -0.11 1.70 0.74 -1.26 -5.02 119.66 120.97 1myk s GLN 9 Ca 0.02 1.96 -0.30 0.00 0.05 0.00 0.00 55.36 57.09 1myk s GLN 9 Cb -0.21 -2.53 0.08 0.00 1.10 0.00 0.00 33.01 31.45 1myk s GLN 9 CO 0.04 -0.60 0.74 -0.59 -0.55 0.00 0.00 175.29 174.34 1myk s PHE 10 N -1.40 -0.64 0.08 1.67 -0.71 -1.26 -5.17 117.98 110.55 1myk s PHE 10 Ca 0.62 1.19 0.01 0.00 -1.04 0.00 0.00 56.93 57.71 1myk s PHE 10 Cb -0.33 0.39 -0.04 0.00 -1.21 0.00 0.00 43.02 41.83 1myk s PHE 10 CO 0.41 -0.52 0.19 -0.80 -1.34 0.00 0.00 175.22 173.16 1myk s ASN 11 N -0.87 6.13 0.39 1.98 0.01 -1.26 -5.11 114.94 116.20 1myk s ASN 11 Ca -0.07 0.17 0.04 0.00 -0.71 0.00 0.00 52.86 52.29 1myk s ASN 11 Cb -0.01 -1.82 -0.05 0.00 0.41 0.00 0.00 41.25 39.78 1myk s ASN 11 CO 0.07 0.15 0.06 -0.76 -1.51 0.00 0.00 177.10 175.11 1myk s LEU 12 N -2.61 2.24 -0.29 0.60 1.02 -1.26 -5.14 118.68 113.25 1myk s LEU 12 Ca 0.33 -1.50 0.03 0.00 0.02 0.00 0.00 54.13 53.01 1myk s LEU 12 Cb -0.12 -0.43 0.18 0.00 0.02 0.00 0.00 46.19 45.84 1myk s LEU 12 CO 0.26 -0.71 0.52 -0.60 0.02 0.00 0.00 176.35 175.84 1myk s ARG 13 N -3.82 0.50 0.38 1.70 3.52 -1.26 -5.17 118.95 114.80 1myk s ARG 13 Ca 0.28 0.48 0.05 0.00 -0.13 0.00 0.00 55.73 56.42 1myk s ARG 13 Cb 0.06 0.06 -0.07 0.00 -1.56 0.00 0.00 34.95 33.44 1myk s ARG 13 CO 0.14 -0.95 0.03 -1.58 -0.81 0.00 0.00 175.30 172.13 1myk s TRP 14 N 2.72 2.24 0.08 5.12 0.51 -1.26 -5.11 118.94 123.24 1myk s TRP 14 Ca 0.12 -0.82 -0.31 0.00 -2.12 0.00 0.00 56.10 52.97 1myk s TRP 14 Cb -0.12 -1.55 -0.06 0.00 -0.81 0.00 0.00 33.47 30.93 1myk s TRP 14 CO -0.26 0.24 1.27 -1.25 -0.51 0.00 0.00 176.95 176.43 1myk s PRO 15 N -3.79 4.39 0.24 4.98 0.04 -1.26 -4.90 135.00 134.70 1myk s PRO 15 Ca 0.34 1.88 -0.11 0.00 0.04 0.00 0.00 61.00 63.15 1myk s PRO 15 Cb 0.09 -3.31 0.35 0.00 0.04 0.00 0.00 34.50 31.67 1myk s PRO 15 CO 0.16 -0.32 1.45 0.54 0.04 0.00 0.00 177.00 178.87 1myk n ARG 16 N 3.94 -0.14 -0.32 4.56 1.74 -1.26 -0.54 116.66 124.64 1myk n ARG 16 Ca 0.10 1.44 0.18 0.00 -0.77 0.00 0.00 57.85 58.80 1myk n ARG 16 Cb 0.45 -2.15 0.38 0.00 -1.02 0.00 0.00 32.46 30.13 1myk n ARG 16 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1myk h GLU 17 N 0.00 0.37 -0.11 5.56 3.07 -1.99 0.80 114.58 122.28 1myk h GLU 17 Ca 0.40 -0.02 -0.23 0.00 -0.50 0.00 0.00 59.36 59.01 1myk h GLU 17 Cb 0.63 -0.08 0.01 0.00 -0.84 0.00 0.00 28.75 28.47 1myk h GLU 17 CO -0.94 0.25 -0.83 0.28 -1.40 0.00 0.00 179.01 176.36 1myk h VAL 18 N 0.39 1.30 -0.79 3.13 2.07 -1.20 -2.35 116.25 118.80 1myk h VAL 18 Ca 0.64 -2.08 0.03 0.00 0.82 0.00 0.00 66.70 66.11 1myk h VAL 18 Cb 1.33 2.10 -0.05 0.00 -1.52 0.00 0.00 31.29 33.16 1myk h VAL 18 CO -0.57 0.65 0.51 -0.07 0.02 0.00 0.00 177.57 178.11 1myk h LEU 19 N 0.46 0.85 0.01 2.57 -0.00 0.83 -1.70 115.31 118.32 1myk h LEU 19 Ca -0.07 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.80 1myk h LEU 19 Cb 1.46 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 41.93 1myk h LEU 19 CO 0.16 0.59 -0.01 0.44 -0.00 0.00 0.00 178.44 179.63 1myk h ASP 20 N 1.00 -0.01 -0.88 -0.43 3.32 -0.55 -1.83 116.42 117.04 1myk h ASP 20 Ca 0.31 -0.31 0.19 0.00 0.02 0.00 0.00 57.03 57.24 1myk h ASP 20 Cb -0.02 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.47 1myk h ASP 20 CO -0.10 0.30 0.58 0.25 -1.72 0.00 0.00 179.24 178.56 1myk h LEU 21 N -0.33 0.43 -0.21 1.55 5.85 -0.94 -0.15 115.31 121.51 1myk h LEU 21 Ca -0.00 0.04 -0.22 0.00 0.84 0.00 0.00 57.88 58.54 1myk h LEU 21 Cb 0.32 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.32 1myk h LEU 21 CO 0.00 0.18 -0.79 0.58 -0.34 0.00 0.00 178.44 178.07 1myk h VAL 22 N 0.43 1.30 -0.20 1.05 2.07 -1.10 -1.76 116.25 118.03 1myk h VAL 22 Ca 0.46 -2.04 -0.06 0.00 0.82 0.00 0.00 66.70 65.87 1myk h VAL 22 Cb 1.09 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 1myk h VAL 22 CO -0.17 0.64 -0.14 0.03 0.02 0.00 0.00 177.57 177.94 1myk h ARG 23 N 0.47 0.33 -0.08 1.57 3.08 -0.18 1.00 114.38 120.56 1myk h ARG 23 Ca -0.05 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 1myk h ARG 23 Cb 1.41 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.42 1myk h ARG 23 CO 0.16 0.48 -0.14 -0.22 -1.07 0.00 0.00 179.97 179.18 1myk h LYS 24 N 0.31 0.24 -0.44 0.04 1.63 -1.28 -1.84 116.57 115.23 1myk h LYS 24 Ca 0.06 -0.15 -0.11 0.00 -0.85 0.00 0.00 60.65 59.61 1myk h LYS 24 Cb 0.45 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 1myk h LYS 24 CO 0.03 0.72 -0.14 0.28 -3.45 0.00 0.00 179.45 176.89 1myk h VAL 25 N -0.21 1.27 -0.55 2.00 2.07 -1.22 -2.87 116.25 116.75 1myk h VAL 25 Ca 0.01 -1.26 0.04 0.00 0.82 0.00 0.00 66.70 66.30 1myk h VAL 25 Cb 0.70 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 1myk h VAL 25 CO 0.03 0.43 0.30 0.00 0.02 0.00 0.00 177.57 178.35 1myk h ALA 26 N 0.86 0.70 -0.31 1.67 0.00 -0.81 -1.41 119.26 119.95 1myk h ALA 26 Ca 0.11 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1myk h ALA 26 Cb 0.69 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1myk h ALA 26 CO 0.05 -0.02 0.16 0.93 0.00 0.00 0.00 179.25 180.37 1myk h GLU 27 N 0.59 0.45 -0.76 0.00 4.39 -1.32 0.24 114.58 118.16 1myk h GLU 27 Ca 0.23 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.92 1myk h GLU 27 Cb 0.10 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.62 1myk h GLU 27 CO -0.14 0.40 0.50 0.93 -1.16 0.00 0.00 179.01 179.55 1myk h GLU 28 N 0.38 0.87 -0.02 2.33 5.08 -1.25 -1.42 114.58 120.54 1myk h GLU 28 Ca 0.11 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1myk h GLU 28 Cb 0.10 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1myk h GLU 28 CO -0.02 0.57 0.00 0.09 -1.00 0.00 0.00 179.01 178.66 1myk n ASN 29 N -4.46 1.13 -1.07 1.42 5.03 -0.56 -4.91 115.26 111.83 1myk n ASN 29 Ca 0.10 -1.40 -0.12 0.00 0.87 0.00 0.00 54.58 54.03 1myk n ASN 29 Cb 0.15 -0.01 -0.04 0.00 -1.02 0.00 0.00 39.78 38.86 1myk n ASN 29 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1myk n GLY 30 N 1.12 0.88 3.75 7.41 0.00 -0.54 -5.01 105.19 112.81 1myk n GLY 30 Ca 0.20 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 1myk n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1myk s ARG 31 N -3.51 2.47 0.58 1.61 0.52 0.74 -5.00 118.95 116.35 1myk s ARG 31 Ca 0.00 -1.45 -0.09 0.00 -0.52 0.00 0.00 55.73 53.67 1myk s ARG 31 Cb 0.00 -2.26 -0.03 0.00 0.52 0.00 0.00 34.95 33.18 1myk s ARG 31 CO 0.00 0.16 0.95 -1.54 0.02 0.00 0.00 175.30 174.89 1myk s SER 32 N -3.85 6.14 0.47 0.23 1.04 -1.26 -4.04 113.70 112.42 1myk s SER 32 Ca 0.37 1.19 0.13 0.00 0.48 0.00 0.00 55.95 58.12 1myk s SER 32 Cb -0.04 -2.30 1.09 0.00 0.10 0.00 0.00 66.02 64.87 1myk s SER 32 CO 0.23 -0.83 2.09 0.58 0.98 0.00 0.00 173.24 176.30 1myk h VAL 33 N -0.16 1.02 -0.00 5.02 2.07 -1.92 -2.50 116.25 119.79 1myk h VAL 33 Ca -0.45 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 66.99 1myk h VAL 33 Cb 1.20 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1myk h VAL 33 CO 0.62 0.05 -0.03 -1.13 0.02 0.00 0.00 177.57 177.10 1myk h ASN 34 N 0.26 -0.09 1.09 0.57 -0.73 -1.98 -1.88 115.58 112.81 1myk h ASN 34 Ca 0.09 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.28 1myk h ASN 34 Cb 0.06 0.04 0.00 0.00 0.27 0.00 0.00 38.32 38.69 1myk h ASN 34 CO -0.02 -0.05 -0.13 -1.54 -0.37 0.00 0.00 177.43 175.32 1myk n SER 35 N -5.14 0.41 0.01 1.15 3.41 -1.09 -2.14 113.62 110.23 1myk n SER 35 Ca -0.06 0.39 -0.18 0.00 -0.26 0.00 0.00 58.87 58.76 1myk n SER 35 Cb 0.07 -0.44 -0.10 0.00 -0.26 0.00 0.00 64.21 63.49 1myk n SER 35 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1myk h GLU 36 N 0.00 0.57 -0.41 4.33 4.57 -1.01 0.12 114.58 122.75 1myk h GLU 36 Ca 0.00 -0.56 -0.09 0.00 -1.18 0.00 0.00 59.36 57.53 1myk h GLU 36 Cb 0.61 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 1myk h GLU 36 CO 0.00 1.18 -0.10 0.82 -1.18 0.00 0.00 179.01 179.73 1myk h ILE 37 N 0.17 1.27 -0.19 2.32 2.04 -1.34 -1.80 117.51 119.99 1myk h ILE 37 Ca -0.08 -1.19 0.04 0.00 1.00 0.00 0.00 64.86 64.63 1myk h ILE 37 Cb 1.41 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 38.66 1myk h ILE 37 CO 0.15 0.40 -0.05 0.22 0.00 0.00 0.00 178.15 178.87 1myk h TYR 38 N 0.60 -0.11 -0.22 1.37 5.03 -1.44 -1.68 116.97 120.53 1myk h TYR 38 Ca 0.10 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.46 1myk h TYR 38 Cb 0.62 0.08 -0.03 0.00 1.55 0.00 0.00 36.73 38.95 1myk h TYR 38 CO 0.05 -0.09 0.02 0.37 -1.32 0.00 0.00 178.16 177.19 1myk h GLN 39 N -0.01 0.09 -0.53 1.82 5.75 -0.84 0.18 115.11 121.58 1myk h GLN 39 Ca 0.09 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.55 1myk h GLN 39 Cb 0.14 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 1myk h GLN 39 CO -0.20 0.06 0.17 0.00 -2.65 0.00 0.00 178.83 176.21 1myk h ARG 40 N 0.09 0.78 -0.02 1.69 3.08 -0.89 -2.49 114.38 116.63 1myk h ARG 40 Ca 0.10 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1myk h ARG 40 Cb 0.12 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1myk h ARG 40 CO -0.16 0.68 -0.14 0.28 -1.07 0.00 0.00 179.97 179.56 1myk h VAL 41 N 0.77 1.50 -0.32 2.04 2.07 -0.94 -2.55 116.25 118.81 1myk h VAL 41 Ca 0.18 -1.68 0.04 0.00 0.82 0.00 0.00 66.70 66.06 1myk h VAL 41 Cb 0.22 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 1myk h VAL 41 CO -0.01 0.46 0.22 0.24 0.02 0.00 0.00 177.57 178.49 1myk h MET 42 N -0.47 0.25 -0.22 1.57 2.86 -0.95 -0.81 114.93 117.15 1myk h MET 42 Ca -0.01 -0.01 -0.17 0.00 -2.06 0.00 0.00 59.70 57.44 1myk h MET 42 Cb 0.82 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.43 1myk h MET 42 CO 0.03 0.16 -0.54 1.49 1.06 0.00 0.00 176.91 179.11 1myk h GLU 43 N 0.26 0.76 -0.35 1.72 4.81 -1.47 -1.87 114.58 118.42 1myk h GLU 43 Ca 0.14 -0.52 -0.09 0.00 -0.13 0.00 0.00 59.36 58.76 1myk h GLU 43 Cb 0.23 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 1myk h GLU 43 CO -0.03 1.14 -0.15 0.66 -0.73 0.00 0.00 179.01 179.90 1myk h SER 44 N 0.49 0.63 0.34 1.04 4.64 -0.79 -2.12 113.55 117.78 1myk h SER 44 Ca -0.01 -0.19 -0.10 0.00 -0.47 0.00 0.00 61.79 61.03 1myk h SER 44 Cb 1.16 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 1myk h SER 44 CO 0.12 0.81 -0.42 -0.26 -0.87 0.00 0.00 176.83 176.21 1myk h PHE 45 N 0.58 0.12 -0.09 4.77 0.04 -1.11 -2.84 116.94 118.41 1myk h PHE 45 Ca 0.10 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 1myk h PHE 45 Cb 0.60 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.72 1myk h PHE 45 CO 0.03 0.50 0.00 0.87 -0.60 0.00 0.00 178.31 179.11 1myk h LYS 46 N 0.09 0.15 0.00 1.51 6.56 -0.71 -1.58 116.57 122.58 1myk h LYS 46 Ca 0.01 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.54 1myk h LYS 46 Cb 0.77 -0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.42 1myk h LYS 46 CO 0.06 0.41 -0.06 0.87 -2.06 0.00 0.00 179.45 178.67 1myk h LYS 47 N -0.12 0.00 -0.03 3.15 1.57 -1.39 -1.94 116.57 117.82 1myk h LYS 47 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1myk h LYS 47 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1myk h LYS 47 CO 0.00 0.06 0.00 0.39 -0.57 0.00 0.00 179.45 179.33 1myk n GLU 48 N -3.33 1.63 -0.89 3.15 1.02 -1.08 -4.92 120.64 116.21 1myk n GLU 48 Ca -0.01 -0.91 0.00 0.00 -0.02 0.00 0.00 57.16 56.21 1myk n GLU 48 Cb 0.22 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 1myk n GLU 48 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1myk n GLY 49 N 1.16 1.03 0.21 0.62 0.00 -0.73 -4.89 105.19 102.59 1myk n GLY 49 Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.28 1myk n GLY 49 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1myk h ARG 50 N 3.11 0.00 0.00 1.61 3.08 -1.50 -3.25 114.38 117.43 1myk h ARG 50 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1myk h ARG 50 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1myk h ARG 50 CO 0.00 0.31 -0.86 -0.89 -1.07 0.00 0.00 179.97 177.46 1myk n ILE 51 N -3.58 0.00 0.00 2.04 2.08 -1.10 -4.99 119.36 113.81 1myk n ILE 51 Ca -0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.30 1myk n ILE 51 Cb 0.44 -0.48 0.00 0.00 -0.75 0.00 0.00 39.64 38.85 1myk n ILE 51 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72