#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1baz s PRO 8 N 0.00 -0.41 0.03 0.03 0.04 -1.26 -5.01 135.00 128.42 1baz s PRO 8 Ca 0.00 0.83 0.02 0.00 0.04 0.00 0.00 61.00 61.89 1baz s PRO 8 Cb 0.00 -1.61 -0.04 0.00 0.04 0.00 0.00 34.50 32.89 1baz s PRO 8 CO 0.00 -3.38 0.03 -0.65 0.04 0.00 0.00 177.00 173.03 1baz s GLN 9 N -4.60 2.80 -0.16 4.56 -0.21 -1.26 -5.10 119.66 115.69 1baz s GLN 9 Ca 0.67 -0.65 0.01 0.00 0.02 0.00 0.00 55.36 55.42 1baz s GLN 9 Cb -0.23 -2.68 0.01 0.00 1.00 0.00 0.00 33.01 31.11 1baz s GLN 9 CO 0.62 0.60 -0.20 0.08 -2.12 0.00 0.00 175.29 174.27 1baz s VAL 10 N -1.20 2.15 -0.30 1.09 1.01 -1.26 -5.10 120.40 116.78 1baz s VAL 10 Ca 0.23 -0.93 -0.14 0.00 0.00 0.00 0.00 61.98 61.14 1baz s VAL 10 Cb -0.12 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 1baz s VAL 10 CO 0.15 0.54 0.34 0.21 0.00 0.00 0.00 175.10 176.33 1baz s ASN 11 N 1.08 6.18 -0.10 3.32 2.47 -1.26 -5.06 114.94 121.57 1baz s ASN 11 Ca -0.00 0.00 0.02 0.00 0.42 0.00 0.00 52.86 53.30 1baz s ASN 11 Cb -0.14 -2.19 -0.01 0.00 -1.45 0.00 0.00 41.25 37.46 1baz s ASN 11 CO -0.08 -0.24 -0.18 -0.76 -3.72 0.00 0.00 177.10 172.13 1baz s LEU 12 N 2.00 2.47 -0.25 3.21 1.43 -1.26 -5.08 118.68 121.21 1baz s LEU 12 Ca 0.12 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1baz s LEU 12 Cb -0.16 -1.52 0.06 0.00 0.03 0.00 0.00 46.19 44.60 1baz s LEU 12 CO 0.11 0.20 -0.05 -0.13 0.23 0.00 0.00 176.35 176.71 1baz s ARG 13 N 0.13 1.63 0.27 1.70 0.52 -1.26 -5.12 118.95 116.82 1baz s ARG 13 Ca -0.09 -1.07 0.03 0.00 -0.52 0.00 0.00 55.73 54.08 1baz s ARG 13 Cb -0.15 -2.62 -0.06 0.00 0.52 0.00 0.00 34.95 32.64 1baz s ARG 13 CO 0.06 -0.63 0.06 -1.58 0.02 0.00 0.00 175.30 173.23 1baz s TRP 14 N 1.35 1.68 0.31 -0.53 0.51 -1.26 -5.11 118.94 115.89 1baz s TRP 14 Ca -0.05 -1.05 -0.29 0.00 -2.12 0.00 0.00 56.10 52.59 1baz s TRP 14 Cb -0.19 -1.02 -0.11 0.00 -0.81 0.00 0.00 33.47 31.34 1baz s TRP 14 CO -0.07 -0.16 1.48 -2.14 -0.51 0.00 0.00 176.95 175.56 1baz s PRO 15 N -3.95 4.19 0.21 4.98 0.02 -1.26 -4.82 135.00 134.36 1baz s PRO 15 Ca 0.35 2.45 -0.15 0.00 0.02 0.00 0.00 61.00 63.68 1baz s PRO 15 Cb 0.08 -3.04 0.22 0.00 0.02 0.00 0.00 34.50 31.78 1baz s PRO 15 CO 0.13 -0.49 1.62 0.00 -0.33 0.00 0.00 177.00 177.93 1baz h ARG 16 N 4.17 -0.04 -0.00 5.54 2.47 -1.99 -0.42 114.38 124.11 1baz h ARG 16 Ca -0.48 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 1baz h ARG 16 Cb 1.23 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.55 1baz h ARG 16 CO 0.73 -0.02 0.00 1.05 0.56 0.00 0.00 179.97 182.29 1baz h GLU 17 N -0.04 0.00 0.14 0.04 9.09 -1.99 0.70 114.58 122.53 1baz h GLU 17 Ca 0.30 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.48 1baz h GLU 17 Cb 0.49 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.61 1baz h GLU 17 CO -0.67 0.00 -1.07 0.28 0.05 0.00 0.00 179.01 177.60 1baz h VAL 18 N 0.00 1.33 -0.65 -1.06 2.07 -1.47 -2.64 116.25 113.83 1baz h VAL 18 Ca 0.00 -2.50 -0.04 0.00 0.82 0.00 0.00 66.70 64.98 1baz h VAL 18 Cb 0.01 3.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.76 1baz h VAL 18 CO -0.00 0.72 0.26 0.25 0.02 0.00 0.00 177.57 178.81 1baz h LEU 19 N -0.32 0.87 -1.15 2.57 5.85 -0.90 -0.97 115.31 121.26 1baz h LEU 19 Ca -0.21 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.31 1baz h LEU 19 Cb 1.72 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 1baz h LEU 19 CO 0.13 0.78 -0.37 0.44 -0.34 0.00 0.00 178.44 179.08 1baz h ASP 20 N 0.93 0.10 -0.20 1.25 5.19 -0.97 -1.63 116.42 121.09 1baz h ASP 20 Ca 0.22 -0.04 -0.08 0.00 -0.62 0.00 0.00 57.03 56.51 1baz h ASP 20 Cb 0.19 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.67 1baz h ASP 20 CO -0.02 0.46 -0.20 0.25 -3.12 0.00 0.00 179.24 176.61 1baz h LEU 21 N 0.08 0.53 -0.60 1.55 6.46 -0.89 -1.72 115.31 120.72 1baz h LEU 21 Ca 0.01 -0.48 -0.00 0.00 -0.12 0.00 0.00 57.88 57.29 1baz h LEU 21 Cb 0.70 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.45 1baz h LEU 21 CO 0.05 0.90 0.36 0.58 -0.62 0.00 0.00 178.44 179.72 1baz h VAL 22 N 0.17 1.18 -0.02 1.05 2.07 -1.02 -0.51 116.25 119.16 1baz h VAL 22 Ca 0.03 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1baz h VAL 22 Cb 0.75 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1baz h VAL 22 CO 0.05 0.18 0.01 0.03 0.02 0.00 0.00 177.57 177.87 1baz h ARG 23 N 0.82 0.03 -0.38 1.57 3.08 -1.27 0.23 114.38 118.45 1baz h ARG 23 Ca 0.22 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.28 1baz h ARG 23 Cb -0.02 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1baz h ARG 23 CO -0.04 0.02 0.22 -0.22 -1.07 0.00 0.00 179.97 178.88 1baz h LYS 24 N 0.02 0.44 -0.70 0.04 3.64 -1.06 -1.34 116.57 117.61 1baz h LYS 24 Ca 0.01 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 1baz h LYS 24 Cb -0.00 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1baz h LYS 24 CO -0.00 0.29 0.21 0.28 -2.27 0.00 0.00 179.45 177.96 1baz h VAL 25 N 0.46 1.25 -0.54 2.00 2.07 -0.94 -0.96 116.25 119.60 1baz h VAL 25 Ca 0.15 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1baz h VAL 25 Cb -0.00 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1baz h VAL 25 CO -0.07 0.35 0.28 0.00 0.02 0.00 0.00 177.57 178.15 1baz h ALA 26 N 1.18 0.69 -0.64 1.67 0.00 -0.60 -0.38 119.26 121.18 1baz h ALA 26 Ca 0.23 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1baz h ALA 26 Cb 0.31 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1baz h ALA 26 CO -0.01 0.23 0.16 0.93 0.00 0.00 0.00 179.25 180.57 1baz h GLU 27 N 0.73 1.01 -0.70 0.00 5.08 -0.96 0.44 114.58 120.18 1baz h GLU 27 Ca 0.19 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1baz h GLU 27 Cb 0.08 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1baz h GLU 27 CO -0.03 0.89 0.26 0.93 -1.00 0.00 0.00 179.01 180.06 1baz h GLU 28 N 0.96 1.04 -0.00 2.33 5.08 -0.73 -1.87 114.58 121.39 1baz h GLU 28 Ca 0.21 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1baz h GLU 28 Cb 0.33 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1baz h GLU 28 CO -0.00 0.86 -0.13 0.09 -1.00 0.00 0.00 179.01 178.82 1baz n ASN 29 N -4.29 0.13 -1.22 1.42 5.03 -0.19 -4.94 115.26 111.21 1baz n ASN 29 Ca 0.06 0.30 -0.09 0.00 0.87 0.00 0.00 54.58 55.72 1baz n ASN 29 Cb 0.19 -0.30 0.01 0.00 -1.02 0.00 0.00 39.78 38.66 1baz n ASN 29 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1baz n GLY 30 N 1.50 0.13 3.32 7.41 0.00 0.14 -5.04 105.19 112.65 1baz n GLY 30 Ca 0.07 -0.46 -0.18 0.00 0.00 0.00 0.00 46.02 45.45 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 -4.78 1.56 0.71 1.61 1.70 -0.30 -5.00 118.95 114.44 1baz s ARG 31 Ca 0.08 -1.88 -0.11 0.00 -0.47 0.00 0.00 55.73 53.34 1baz s ARG 31 Cb -0.03 -0.05 0.02 0.00 -0.57 0.00 0.00 34.95 34.32 1baz s ARG 31 CO 0.10 -0.45 1.07 -1.54 -1.08 0.00 0.00 175.30 173.40 1baz s SER 32 N -3.35 5.18 0.22 -2.89 1.04 -1.26 -4.22 113.70 108.42 1baz s SER 32 Ca 0.36 1.69 -0.09 0.00 0.48 0.00 0.00 55.95 58.40 1baz s SER 32 Cb 0.05 -2.51 0.17 0.00 0.10 0.00 0.00 66.02 63.84 1baz s SER 32 CO 0.17 -1.58 1.87 0.58 0.98 0.00 0.00 173.24 175.27 1baz h VAL 33 N -0.71 1.22 -0.64 5.02 2.07 -1.93 -2.03 116.25 119.24 1baz h VAL 33 Ca -0.44 -0.46 0.09 0.00 0.82 0.00 0.00 66.70 66.71 1baz h VAL 33 Cb 1.22 0.08 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 1baz h VAL 33 CO 0.55 0.22 0.29 -1.13 0.02 0.00 0.00 177.57 177.53 1baz h ASN 34 N 1.10 0.34 0.01 0.57 -1.24 -1.99 -0.30 115.58 114.07 1baz h ASN 34 Ca 0.29 0.07 -0.22 0.00 0.71 0.00 0.00 56.30 57.15 1baz h ASN 34 Cb -0.07 0.01 0.01 0.00 0.73 0.00 0.00 38.32 39.01 1baz h ASN 34 CO -0.06 0.20 -0.79 0.28 -1.29 0.00 0.00 177.43 175.77 1baz h SER 35 N 0.50 0.79 -0.22 1.15 0.02 -1.87 -1.66 113.55 112.26 1baz h SER 35 Ca 0.32 -0.53 0.01 0.00 -0.84 0.00 0.00 61.79 60.74 1baz h SER 35 Cb 0.35 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1baz h SER 35 CO -0.27 1.32 0.14 -0.08 -1.14 0.00 0.00 176.83 176.79 1baz h GLU 36 N 0.44 0.27 -0.49 3.45 4.57 -0.77 0.13 114.58 122.18 1baz h GLU 36 Ca -0.05 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.03 1baz h GLU 36 Cb 1.41 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.92 1baz h GLU 36 CO 0.15 0.18 -0.01 0.82 -1.18 0.00 0.00 179.01 178.97 1baz h ILE 37 N 0.28 1.26 -0.21 2.32 2.04 -1.11 -1.93 117.51 120.16 1baz h ILE 37 Ca 0.08 -1.09 0.04 0.00 1.00 0.00 0.00 64.86 64.89 1baz h ILE 37 Cb -0.02 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1baz h ILE 37 CO -0.03 0.38 -0.01 0.22 0.00 0.00 0.00 178.15 178.71 1baz h TYR 38 N 0.73 -0.03 -0.56 1.37 5.03 -0.94 -1.25 116.97 121.33 1baz h TYR 38 Ca 0.14 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.48 1baz h TYR 38 Cb 0.53 0.04 -0.03 0.00 1.55 0.00 0.00 36.73 38.82 1baz h TYR 38 CO 0.04 -0.04 0.36 1.96 -1.32 0.00 0.00 178.16 179.16 1baz h GLN 39 N 0.06 0.70 -0.63 1.82 1.08 -0.63 -1.06 115.11 116.45 1baz h GLN 39 Ca 0.10 -0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 57.19 1baz h GLN 39 Cb 0.13 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.38 1baz h GLN 39 CO -0.18 0.46 0.11 0.00 -0.95 0.00 0.00 178.83 178.28 1baz h ARG 40 N 0.72 1.01 -0.18 1.46 3.08 -0.99 -2.21 114.38 117.27 1baz h ARG 40 Ca 0.21 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 1baz h ARG 40 Cb -0.05 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 29.87 1baz h ARG 40 CO -0.06 0.92 -0.10 0.28 -1.07 0.00 0.00 179.97 179.94 1baz h VAL 41 N 0.96 1.31 -0.43 2.04 2.07 -0.87 -2.01 116.25 119.32 1baz h VAL 41 Ca 0.19 -1.16 -0.07 0.00 0.82 0.00 0.00 66.70 66.48 1baz h VAL 41 Cb 0.40 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 1baz h VAL 41 CO 0.01 0.35 -0.03 0.24 0.02 0.00 0.00 177.57 178.15 1baz h MET 42 N 0.07 0.72 0.00 1.57 2.86 -1.13 -2.43 114.93 116.59 1baz h MET 42 Ca 0.04 -0.20 -0.09 0.00 -2.06 0.00 0.00 59.70 57.40 1baz h MET 42 Cb 0.58 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1baz h MET 42 CO 0.03 0.75 -0.42 0.93 1.06 0.00 0.00 176.91 179.27 1baz h GLU 43 N 0.67 0.00 0.00 1.72 5.08 -1.34 -3.03 114.58 117.67 1baz h GLU 43 Ca 0.13 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1baz h GLU 43 Cb 0.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1baz h GLU 43 CO 0.02 0.42 -0.09 0.66 -1.00 0.00 0.00 179.01 179.02 1baz h SER 44 N 0.00 0.00 0.06 1.42 4.64 -0.84 -1.84 113.55 116.99 1baz h SER 44 Ca -0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 1baz h SER 44 Cb 0.79 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.89 1baz h SER 44 CO 0.05 0.09 -0.81 -0.26 -0.87 0.00 0.00 176.83 175.04 1baz h PHE 45 N 0.00 0.84 0.00 4.77 0.04 -1.58 -3.52 116.94 117.50 1baz h PHE 45 Ca -0.00 -0.39 0.00 0.00 2.80 0.00 0.00 57.97 60.38 1baz h PHE 45 Cb 0.19 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.21 1baz h PHE 45 CO 0.00 1.20 0.00 1.17 -0.60 0.00 0.00 178.31 180.08