#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1baz n MET 7 N 0.00 2.60 -1.82 -1.58 2.81 -1.26 -5.10 117.12 112.78 1baz n MET 7 Ca 0.00 -4.65 -0.33 0.00 -1.81 0.00 0.00 57.70 50.90 1baz n MET 7 Cb 0.00 -2.21 0.04 0.00 -0.71 0.00 0.00 33.22 30.34 1baz n MET 7 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1baz s PRO 8 N -2.64 2.85 0.30 0.03 0.04 -1.26 -5.02 135.00 129.31 1baz s PRO 8 Ca 0.42 1.45 -0.15 0.00 0.04 0.00 0.00 61.00 62.75 1baz s PRO 8 Cb 0.18 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.68 1baz s PRO 8 CO -0.04 -1.22 0.72 -1.14 0.04 0.00 0.00 177.00 175.36 1baz s GLN 9 N -3.95 4.02 -0.02 4.56 0.74 -1.26 -5.09 119.66 118.66 1baz s GLN 9 Ca 0.68 0.67 -0.01 0.00 0.05 0.00 0.00 55.36 56.75 1baz s GLN 9 Cb -0.22 -2.50 0.02 0.00 1.10 0.00 0.00 33.01 31.40 1baz s GLN 9 CO 0.39 0.20 0.05 0.54 -0.55 0.00 0.00 175.29 175.92 1baz s VAL 10 N -1.91 -0.02 -0.19 1.34 0.11 -1.26 -5.14 120.40 113.32 1baz s VAL 10 Ca 0.52 0.08 -0.05 0.00 -2.93 0.00 0.00 61.98 59.60 1baz s VAL 10 Cb -0.11 -0.09 -0.03 0.00 -1.53 0.00 0.00 36.38 34.62 1baz s VAL 10 CO 0.18 0.03 0.01 0.20 -3.33 0.00 0.00 175.10 172.19 1baz s ASN 11 N 0.46 4.95 0.05 3.54 0.01 -1.26 -5.10 114.94 117.58 1baz s ASN 11 Ca -0.04 -0.15 0.04 0.00 -0.71 0.00 0.00 52.86 52.00 1baz s ASN 11 Cb -0.05 -1.84 -0.04 0.00 0.41 0.00 0.00 41.25 39.73 1baz s ASN 11 CO -0.02 0.09 -0.02 -0.76 -1.51 0.00 0.00 177.10 174.88 1baz s LEU 12 N 0.83 3.38 -0.24 0.60 1.43 -1.26 -5.08 118.68 118.35 1baz s LEU 12 Ca 0.01 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1baz s LEU 12 Cb -0.14 -2.04 0.07 0.00 0.03 0.00 0.00 46.19 44.11 1baz s LEU 12 CO 0.02 0.23 -0.02 -0.60 0.23 0.00 0.00 176.35 176.21 1baz s ARG 13 N -1.91 1.35 0.19 1.70 3.52 -1.26 -5.12 118.95 117.41 1baz s ARG 13 Ca 0.22 -0.94 0.06 0.00 -0.13 0.00 0.00 55.73 54.95 1baz s ARG 13 Cb -0.11 -2.48 -0.05 0.00 -1.56 0.00 0.00 34.95 30.75 1baz s ARG 13 CO 0.13 -0.66 -0.13 -1.58 -0.81 0.00 0.00 175.30 172.26 1baz s TRP 14 N 1.48 1.55 0.29 5.12 0.51 -1.26 -5.11 118.94 121.52 1baz s TRP 14 Ca -0.03 -0.65 -0.30 0.00 -2.12 0.00 0.00 56.10 53.01 1baz s TRP 14 Cb -0.18 -0.75 -0.13 0.00 -0.81 0.00 0.00 33.47 31.60 1baz s TRP 14 CO -0.08 0.25 1.40 -2.30 -0.51 0.00 0.00 176.95 175.71 1baz n PRO 15 N -0.32 2.19 -0.24 4.98 -0.02 -1.26 -4.79 135.00 135.54 1baz n PRO 15 Ca -0.09 0.78 0.04 0.00 -2.02 0.00 0.00 63.50 62.21 1baz n PRO 15 Cb 0.61 -2.43 0.15 0.00 -0.02 0.00 0.00 33.50 31.81 1baz n PRO 15 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1baz h ARG 16 N 3.66 0.13 -0.22 -0.52 9.65 -1.99 -0.95 114.38 124.15 1baz h ARG 16 Ca -0.46 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.40 1baz h ARG 16 Cb 1.27 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.81 1baz h ARG 16 CO 0.71 0.09 0.10 1.49 2.80 0.00 0.00 179.97 185.15 1baz h GLU 17 N 0.14 0.30 0.22 0.20 4.81 -1.99 -1.02 114.58 117.23 1baz h GLU 17 Ca 0.39 -0.03 -0.32 0.00 -0.13 0.00 0.00 59.36 59.27 1baz h GLU 17 Cb 0.68 -0.06 0.03 0.00 0.63 0.00 0.00 28.75 30.02 1baz h GLU 17 CO -0.60 0.25 -1.41 0.28 -0.73 0.00 0.00 179.01 176.80 1baz h VAL 18 N 0.31 1.35 -0.24 0.32 2.07 -1.56 -2.81 116.25 115.69 1baz h VAL 18 Ca 0.08 -2.82 -0.02 0.00 0.82 0.00 0.00 66.70 64.75 1baz h VAL 18 Cb 0.06 3.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 1baz h VAL 18 CO -0.01 0.84 0.06 0.25 0.02 0.00 0.00 177.57 178.73 1baz h LEU 19 N 0.12 0.36 -1.59 2.57 5.85 -1.09 -0.82 115.31 120.72 1baz h LEU 19 Ca -0.22 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 1baz h LEU 19 Cb 2.11 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 43.03 1baz h LEU 19 CO 0.25 0.50 0.01 0.44 -0.34 0.00 0.00 178.44 179.31 1baz h ASP 20 N 0.21 0.25 -0.40 1.25 3.32 -1.29 0.13 116.42 119.88 1baz h ASP 20 Ca 0.08 -0.03 -0.14 0.00 0.02 0.00 0.00 57.03 56.96 1baz h ASP 20 Cb 0.27 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1baz h ASP 20 CO 0.00 0.29 -0.29 0.25 -1.72 0.00 0.00 179.24 177.77 1baz h LEU 21 N 0.27 0.97 -0.62 1.55 5.85 -1.12 -0.56 115.31 121.65 1baz h LEU 21 Ca 0.07 -0.39 -0.06 0.00 0.84 0.00 0.00 57.88 58.33 1baz h LEU 21 Cb 0.16 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1baz h LEU 21 CO 0.00 1.18 0.14 0.58 -0.34 0.00 0.00 178.44 179.99 1baz h VAL 22 N 0.78 1.26 -0.35 1.05 2.07 0.24 -1.29 116.25 120.01 1baz h VAL 22 Ca 0.09 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 1baz h VAL 22 Cb 0.86 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1baz h VAL 22 CO 0.08 0.35 0.11 0.03 0.02 0.00 0.00 177.57 178.16 1baz h ARG 23 N 0.91 0.54 -0.07 1.57 3.08 -0.85 -1.49 114.38 118.08 1baz h ARG 23 Ca 0.19 -0.12 0.04 0.00 0.07 0.00 0.00 59.98 60.16 1baz h ARG 23 Cb 0.38 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.30 1baz h ARG 23 CO 0.01 0.57 -0.25 -0.22 -1.07 0.00 0.00 179.97 179.01 1baz h LYS 24 N 0.41 -0.33 -0.08 0.04 3.64 -0.70 -1.26 116.57 118.29 1baz h LYS 24 Ca 0.11 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.42 1baz h LYS 24 Cb 0.26 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1baz h LYS 24 CO -0.00 -0.22 -0.38 -0.39 -2.27 0.00 0.00 179.45 176.19 1baz h VAL 25 N -0.34 1.29 -0.60 2.00 -1.51 -1.17 -1.89 116.25 114.02 1baz h VAL 25 Ca 0.08 -1.40 -0.05 0.00 -1.23 0.00 0.00 66.70 64.11 1baz h VAL 25 Cb 0.46 1.65 -0.03 0.00 -2.13 0.00 0.00 31.29 31.25 1baz h VAL 25 CO -0.27 0.41 0.18 0.00 -1.23 0.00 0.00 177.57 176.67 1baz h ALA 26 N 1.48 1.18 -0.52 5.19 0.00 -0.78 0.02 119.26 125.83 1baz h ALA 26 Ca 0.01 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1baz h ALA 26 Cb 0.73 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1baz h ALA 26 CO 0.06 0.57 -0.13 0.93 0.00 0.00 0.00 179.25 180.67 1baz h GLU 27 N 0.88 1.01 -0.60 0.00 5.08 -0.83 0.16 114.58 120.28 1baz h GLU 27 Ca 0.20 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1baz h GLU 27 Cb 0.27 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1baz h GLU 27 CO -0.01 1.07 0.35 0.93 -1.00 0.00 0.00 179.01 180.35 1baz h GLU 28 N 0.89 0.82 -0.00 2.33 5.08 -0.75 -2.01 114.58 120.93 1baz h GLU 28 Ca 0.13 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1baz h GLU 28 Cb 0.70 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1baz h GLU 28 CO 0.05 0.59 -0.01 0.09 -1.00 0.00 0.00 179.01 178.74 1baz n ASN 29 N -4.61 0.24 -2.13 1.42 3.02 -0.06 -4.91 115.26 108.22 1baz n ASN 29 Ca 0.04 -0.98 -0.16 0.00 -0.03 0.00 0.00 54.58 53.45 1baz n ASN 29 Cb 0.06 -0.03 0.02 0.00 -0.61 0.00 0.00 39.78 39.22 1baz n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1baz n GLY 30 N 1.06 -0.23 3.36 7.41 0.00 0.12 -5.01 105.19 111.90 1baz n GLY 30 Ca 0.22 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 1baz n GLY 30 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1baz s ARG 31 N -5.19 1.68 0.69 1.61 1.70 0.32 -5.01 118.95 114.75 1baz s ARG 31 Ca 0.15 -1.98 -0.11 0.00 -0.47 0.00 0.00 55.73 53.32 1baz s ARG 31 Cb -0.07 -0.12 0.01 0.00 -0.57 0.00 0.00 34.95 34.20 1baz s ARG 31 CO 0.19 -0.49 1.06 -1.54 -1.08 0.00 0.00 175.30 173.44 1baz s SER 32 N -3.41 5.39 0.33 -2.89 1.04 -1.26 -4.29 113.70 108.61 1baz s SER 32 Ca 0.34 1.64 0.05 0.00 0.48 0.00 0.00 55.95 58.47 1baz s SER 32 Cb 0.04 -2.50 0.58 0.00 0.10 0.00 0.00 66.02 64.24 1baz s SER 32 CO 0.19 -1.44 1.83 0.58 0.98 0.00 0.00 173.24 175.38 1baz h VAL 33 N -0.63 1.22 -0.35 5.02 2.07 -1.93 -1.95 116.25 119.70 1baz h VAL 33 Ca -0.44 -0.97 0.01 0.00 0.82 0.00 0.00 66.70 66.12 1baz h VAL 33 Cb 1.21 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 1baz h VAL 33 CO 0.57 0.31 0.21 -1.13 0.02 0.00 0.00 177.57 177.55 1baz h ASN 34 N 0.40 0.34 -0.23 0.57 -1.24 -1.99 -1.01 115.58 112.42 1baz h ASN 34 Ca 0.08 0.00 -0.18 0.00 0.71 0.00 0.00 56.30 56.91 1baz h ASN 34 Cb 0.47 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.45 1baz h ASN 34 CO 0.03 0.25 -0.52 0.28 -1.29 0.00 0.00 177.43 176.17 1baz h SER 35 N 0.42 0.90 -0.08 1.15 0.02 -1.87 -1.60 113.55 112.49 1baz h SER 35 Ca 0.14 -0.47 0.01 0.00 -0.84 0.00 0.00 61.79 60.62 1baz h SER 35 Cb -0.00 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 1baz h SER 35 CO -0.06 1.25 0.03 -0.08 -1.14 0.00 0.00 176.83 176.83 1baz h GLU 36 N 0.63 0.07 -0.59 3.45 4.57 -1.20 -0.13 114.58 121.38 1baz h GLU 36 Ca 0.02 -0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.11 1baz h GLU 36 Cb 1.11 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.66 1baz h GLU 36 CO 0.11 0.05 0.03 0.82 -1.18 0.00 0.00 179.01 178.84 1baz h ILE 37 N 0.08 1.26 -0.36 2.32 2.04 -1.17 -1.88 117.51 119.80 1baz h ILE 37 Ca 0.03 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.81 1baz h ILE 37 Cb 0.01 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1baz h ILE 37 CO -0.03 0.40 0.23 0.22 0.00 0.00 0.00 178.15 178.97 1baz h TYR 38 N 0.93 0.46 -0.04 1.37 5.03 -0.99 -1.26 116.97 122.47 1baz h TYR 38 Ca 0.17 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.49 1baz h TYR 38 Cb 0.50 -0.15 -0.00 0.00 1.55 0.00 0.00 36.73 38.62 1baz h TYR 38 CO 0.03 0.31 0.03 0.37 -1.32 0.00 0.00 178.16 177.58 1baz h GLN 39 N 0.48 0.06 -0.59 1.82 5.75 -0.88 -0.65 115.11 121.10 1baz h GLN 39 Ca 0.13 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.61 1baz h GLN 39 Cb -0.03 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.48 1baz h GLN 39 CO -0.03 0.05 0.30 0.00 -2.65 0.00 0.00 178.83 176.50 1baz h ARG 40 N 0.05 0.83 -0.55 1.69 3.08 -1.24 -1.68 114.38 116.56 1baz h ARG 40 Ca 0.02 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 59.86 1baz h ARG 40 Cb 0.00 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 1baz h ARG 40 CO -0.00 0.65 -0.03 0.28 -1.07 0.00 0.00 179.97 179.80 1baz h VAL 41 N 0.80 1.27 -0.31 2.04 2.07 -1.11 -2.00 116.25 119.00 1baz h VAL 41 Ca 0.20 -1.17 -0.06 0.00 0.82 0.00 0.00 66.70 66.50 1baz h VAL 41 Cb 0.08 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1baz h VAL 41 CO -0.03 0.42 -0.05 0.24 0.02 0.00 0.00 177.57 178.17 1baz h MET 42 N 0.87 0.50 -0.37 1.57 2.86 -0.90 -2.02 114.93 117.44 1baz h MET 42 Ca 0.15 -0.12 -0.11 0.00 -2.06 0.00 0.00 59.70 57.56 1baz h MET 42 Cb 0.58 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1baz h MET 42 CO 0.03 0.56 -0.22 0.93 1.06 0.00 0.00 176.91 179.28 1baz h GLU 43 N 0.47 0.73 -0.40 1.72 5.08 -1.16 -3.13 114.58 117.90 1baz h GLU 43 Ca 0.10 -0.29 0.12 0.00 -1.00 0.00 0.00 59.36 58.28 1baz h GLU 43 Cb 0.39 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1baz h GLU 43 CO 0.02 0.89 0.34 0.66 -1.00 0.00 0.00 179.01 179.92 1baz h SER 44 N 0.64 0.00 0.46 1.42 4.64 -0.59 0.28 113.55 120.40 1baz h SER 44 Ca 0.09 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.11 1baz h SER 44 Cb 0.71 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.81 1baz h SER 44 CO 0.05 0.00 -1.44 -0.26 -0.87 0.00 0.00 176.83 174.31 1baz h PHE 45 N 0.00 0.58 0.00 4.77 0.04 -1.56 -3.51 116.94 117.26 1baz h PHE 45 Ca 0.19 -0.42 0.00 0.00 2.80 0.00 0.00 57.97 60.54 1baz h PHE 45 Cb 0.87 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.00 1baz h PHE 45 CO 0.00 1.40 0.00 1.17 -0.60 0.00 0.00 178.31 180.28