#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1baz n LYS 6 N 0.00 0.08 -3.72 4.33 4.76 -1.26 -4.19 118.16 118.16 1baz n LYS 6 Ca 0.00 0.23 -0.28 0.00 -2.87 0.00 0.00 58.31 55.39 1baz n LYS 6 Cb 0.00 -1.63 -0.12 0.00 -1.84 0.00 0.00 35.03 31.44 1baz n LYS 6 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1baz s MET 7 N -3.09 1.66 1.28 1.97 -1.94 -1.26 -5.12 119.30 112.80 1baz s MET 7 Ca 0.08 -2.54 -0.21 0.00 -1.71 0.00 0.00 55.69 51.31 1baz s MET 7 Cb 0.12 -2.56 0.32 0.00 2.01 0.00 0.00 34.83 34.71 1baz s MET 7 CO 0.40 -1.26 1.06 -1.25 -0.01 0.00 0.00 175.02 173.96 1baz s PRO 8 N -0.40 -1.87 0.16 2.03 0.04 -1.26 -5.06 135.00 128.65 1baz s PRO 8 Ca 0.24 -0.05 0.09 0.00 0.04 0.00 0.00 61.00 61.31 1baz s PRO 8 Cb -0.11 -1.52 -0.04 0.00 0.04 0.00 0.00 34.50 32.87 1baz s PRO 8 CO -0.11 -4.14 -0.19 -1.14 0.04 0.00 0.00 177.00 171.46 1baz s GLN 9 N -5.34 1.28 -0.07 4.56 0.74 -1.26 -5.10 119.66 114.47 1baz s GLN 9 Ca 0.71 -1.40 -0.06 0.00 0.05 0.00 0.00 55.36 54.66 1baz s GLN 9 Cb -0.10 -1.37 0.02 0.00 1.10 0.00 0.00 33.01 32.66 1baz s GLN 9 CO 0.56 0.28 0.18 0.54 -0.55 0.00 0.00 175.29 176.31 1baz s VAL 10 N -1.97 -0.01 -0.20 1.34 0.11 -1.26 -5.15 120.40 113.26 1baz s VAL 10 Ca 0.16 0.03 -0.08 0.00 -2.93 0.00 0.00 61.98 59.16 1baz s VAL 10 Cb -0.06 -0.27 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 1baz s VAL 10 CO 0.07 0.01 0.09 0.20 -3.33 0.00 0.00 175.10 172.14 1baz s ASN 11 N 0.33 5.79 0.09 3.54 0.01 -1.26 -5.10 114.94 118.35 1baz s ASN 11 Ca -0.02 0.09 0.06 0.00 -0.71 0.00 0.00 52.86 52.28 1baz s ASN 11 Cb -0.03 -2.01 -0.04 0.00 0.41 0.00 0.00 41.25 39.58 1baz s ASN 11 CO -0.01 0.14 -0.04 -0.76 -1.51 0.00 0.00 177.10 174.92 1baz s LEU 12 N 0.58 3.29 -0.28 0.60 1.43 -1.26 -5.09 118.68 117.95 1baz s LEU 12 Ca 0.05 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 1baz s LEU 12 Cb -0.12 -2.04 0.07 0.00 0.03 0.00 0.00 46.19 44.13 1baz s LEU 12 CO 0.01 0.18 -0.02 -0.60 0.23 0.00 0.00 176.35 176.14 1baz s ARG 13 N -2.24 1.64 0.19 1.70 6.06 -1.26 -5.11 118.95 119.93 1baz s ARG 13 Ca 0.24 -1.31 0.09 0.00 -2.50 0.00 0.00 55.73 52.25 1baz s ARG 13 Cb -0.11 -2.75 -0.04 0.00 0.06 0.00 0.00 34.95 32.10 1baz s ARG 13 CO 0.16 -0.72 -0.19 -1.58 -2.50 0.00 0.00 175.30 170.47 1baz s TRP 14 N 1.22 1.97 0.31 5.12 0.52 -1.26 -5.12 118.94 121.70 1baz s TRP 14 Ca -0.01 -0.44 -0.29 0.00 0.02 0.00 0.00 56.10 55.38 1baz s TRP 14 Cb -0.19 -0.95 -0.11 0.00 -1.15 0.00 0.00 33.47 31.08 1baz s TRP 14 CO -0.08 0.43 1.46 -2.14 0.02 0.00 0.00 176.95 176.63 1baz s PRO 15 N -3.00 4.21 0.50 4.98 0.02 -1.26 -4.88 135.00 135.57 1baz s PRO 15 Ca 0.20 2.42 0.16 0.00 0.02 0.00 0.00 61.00 63.79 1baz s PRO 15 Cb -0.05 -3.04 1.22 0.00 0.02 0.00 0.00 34.50 32.64 1baz s PRO 15 CO 0.09 -0.45 2.12 0.07 -0.33 0.00 0.00 177.00 178.49 1baz h ARG 16 N 4.12 0.08 -0.74 5.54 0.11 -2.00 -1.87 114.38 119.63 1baz h ARG 16 Ca -0.48 -0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.57 1baz h ARG 16 Cb 1.23 -0.02 -0.03 0.00 1.11 0.00 0.00 29.97 32.25 1baz h ARG 16 CO 0.72 0.05 0.38 0.93 0.10 0.00 0.00 179.97 182.15 1baz h GLU 17 N 0.08 1.05 -0.19 0.08 3.07 -1.99 0.11 114.58 116.79 1baz h GLU 17 Ca 0.05 -0.14 -0.17 0.00 -0.50 0.00 0.00 59.36 58.60 1baz h GLU 17 Cb 0.10 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 27.81 1baz h GLU 17 CO -0.01 0.80 -0.59 0.28 -1.40 0.00 0.00 179.01 178.09 1baz h VAL 18 N 1.03 1.31 -0.33 3.13 2.07 -1.74 -2.41 116.25 119.31 1baz h VAL 18 Ca 0.26 -1.84 -0.10 0.00 0.82 0.00 0.00 66.70 65.83 1baz h VAL 18 Cb 0.08 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1baz h VAL 18 CO -0.04 0.58 -0.21 -0.07 0.02 0.00 0.00 177.57 177.85 1baz h LEU 19 N 0.47 0.64 -1.32 2.57 3.38 -0.99 -1.77 115.31 118.28 1baz h LEU 19 Ca -0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1baz h LEU 19 Cb 1.16 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1baz h LEU 19 CO 0.11 0.85 0.31 0.44 0.09 0.00 0.00 178.44 180.24 1baz h ASP 20 N 0.56 0.69 -0.19 -0.43 3.32 -0.64 -0.57 116.42 119.16 1baz h ASP 20 Ca 0.08 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 1baz h ASP 20 Cb 0.67 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 1baz h ASP 20 CO 0.05 0.55 -0.11 0.25 -1.72 0.00 0.00 179.24 178.26 1baz h LEU 21 N 0.78 0.43 -0.43 1.55 5.85 -0.88 -2.36 115.31 120.26 1baz h LEU 21 Ca 0.20 -0.42 -0.09 0.00 0.84 0.00 0.00 57.88 58.41 1baz h LEU 21 Cb 0.01 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1baz h LEU 21 CO -0.03 0.76 -0.08 0.58 -0.34 0.00 0.00 178.44 179.32 1baz h VAL 22 N 0.10 1.27 -0.89 1.05 2.07 -1.08 -2.30 116.25 116.48 1baz h VAL 22 Ca 0.04 -1.18 0.03 0.00 0.82 0.00 0.00 66.70 66.42 1baz h VAL 22 Cb 0.60 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 1baz h VAL 22 CO 0.03 0.40 0.58 -0.09 0.02 0.00 0.00 177.57 178.51 1baz h ARG 23 N 0.64 1.09 0.14 1.57 2.43 -1.14 0.31 114.38 119.41 1baz h ARG 23 Ca 0.11 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1baz h ARG 23 Cb 0.61 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1baz h ARG 23 CO 0.04 0.72 -0.07 -0.22 -1.51 0.00 0.00 179.97 178.93 1baz h LYS 24 N 1.12 -0.18 0.00 0.20 1.63 -1.24 -1.29 116.57 116.81 1baz h LYS 24 Ca 0.35 0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 60.11 1baz h LYS 24 Cb 0.00 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.67 1baz h LYS 24 CO -0.12 -0.02 -0.26 -0.39 -3.45 0.00 0.00 179.45 175.21 1baz h VAL 25 N -0.31 0.65 -0.15 2.00 -1.51 -1.11 -2.91 116.25 112.91 1baz h VAL 25 Ca -0.02 -1.20 -0.02 0.00 -1.23 0.00 0.00 66.70 64.22 1baz h VAL 25 Cb 0.24 1.79 -0.01 0.00 -2.13 0.00 0.00 31.29 31.19 1baz h VAL 25 CO 0.03 0.26 0.00 0.00 -1.23 0.00 0.00 177.57 176.63 1baz h ALA 26 N 1.74 0.20 -0.70 5.19 0.00 -0.06 -2.22 119.26 123.41 1baz h ALA 26 Ca -0.00 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1baz h ALA 26 Cb 0.77 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1baz h ALA 26 CO 0.03 -0.10 0.45 0.93 0.00 0.00 0.00 179.25 180.56 1baz h GLU 27 N 0.00 0.86 -0.49 0.00 5.08 -1.16 0.39 114.58 119.26 1baz h GLU 27 Ca 0.04 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1baz h GLU 27 Cb 0.37 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1baz h GLU 27 CO 0.01 0.57 0.26 0.93 -1.00 0.00 0.00 179.01 179.78 1baz h GLU 28 N 0.89 0.51 -0.11 2.33 5.08 -1.38 0.74 114.58 122.64 1baz h GLU 28 Ca 0.27 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1baz h GLU 28 Cb -0.02 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1baz h GLU 28 CO -0.09 0.34 0.00 0.09 -1.00 0.00 0.00 179.01 178.35 1baz n ASN 29 N -4.86 0.57 -3.73 1.42 5.03 -0.85 -4.88 115.26 107.97 1baz n ASN 29 Ca 0.04 -1.99 -0.24 0.00 0.87 0.00 0.00 54.58 53.25 1baz n ASN 29 Cb 0.11 -0.07 0.04 0.00 -1.02 0.00 0.00 39.78 38.84 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 0.67 -0.40 3.44 7.41 0.00 0.25 -4.99 105.19 111.57 1baz n GLY 30 Ca 0.04 0.16 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 1baz n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1baz s ARG 31 N -6.17 1.59 0.68 1.61 0.52 0.13 -4.99 118.95 112.31 1baz s ARG 31 Ca 0.31 -1.85 -0.08 0.00 -0.52 0.00 0.00 55.73 53.58 1baz s ARG 31 Cb -0.15 -0.95 0.03 0.00 0.52 0.00 0.00 34.95 34.41 1baz s ARG 31 CO 0.80 -0.11 1.01 -1.54 0.02 0.00 0.00 175.30 175.48 1baz s SER 32 N -3.46 5.18 0.13 0.23 1.04 -1.26 -4.02 113.70 111.54 1baz s SER 32 Ca 0.33 0.72 -0.19 0.00 0.48 0.00 0.00 55.95 57.29 1baz s SER 32 Cb 0.07 -1.50 -0.05 0.00 0.10 0.00 0.00 66.02 64.64 1baz s SER 32 CO 0.14 -1.39 1.76 0.58 0.98 0.00 0.00 173.24 175.31 1baz h VAL 33 N -0.51 1.09 -0.78 5.02 2.07 -1.94 -0.57 116.25 120.63 1baz h VAL 33 Ca -0.45 -0.19 0.13 0.00 0.82 0.00 0.00 66.70 67.01 1baz h VAL 33 Cb 1.28 0.75 -0.09 0.00 -1.52 0.00 0.00 31.29 31.71 1baz h VAL 33 CO 0.62 0.08 0.36 -1.13 0.02 0.00 0.00 177.57 177.52 1baz h ASN 34 N 0.33 0.40 -0.24 0.57 -1.24 -2.00 -0.65 115.58 112.76 1baz h ASN 34 Ca 0.09 0.09 -0.08 0.00 0.71 0.00 0.00 56.30 57.12 1baz h ASN 34 Cb -0.00 0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.08 1baz h ASN 34 CO -0.02 0.18 -0.16 -1.28 -1.29 0.00 0.00 177.43 174.85 1baz h SER 35 N 0.54 0.56 -0.38 1.15 0.87 -1.83 -1.95 113.55 112.51 1baz h SER 35 Ca 0.42 -0.44 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 1baz h SER 35 Cb 0.59 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 1baz h SER 35 CO -0.36 0.88 0.21 -0.08 -0.53 0.00 0.00 176.83 176.95 1baz h GLU 36 N 0.25 0.53 -0.59 2.24 4.57 -0.41 -0.41 114.58 120.77 1baz h GLU 36 Ca 0.05 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 1baz h GLU 36 Cb 0.69 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.15 1baz h GLU 36 CO 0.04 0.43 0.25 0.82 -1.18 0.00 0.00 179.01 179.37 1baz h ILE 37 N 0.49 1.22 -0.29 2.32 2.04 -1.16 -2.10 117.51 120.02 1baz h ILE 37 Ca 0.13 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.34 1baz h ILE 37 Cb 0.05 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1baz h ILE 37 CO -0.02 0.26 0.17 0.22 0.00 0.00 0.00 178.15 178.78 1baz h TYR 38 N 0.80 0.32 -0.73 1.37 3.20 -0.95 -0.56 116.97 120.42 1baz h TYR 38 Ca 0.20 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 1baz h TYR 38 Cb 0.17 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 1baz h TYR 38 CO 0.01 0.19 0.27 1.96 -1.64 0.00 0.00 178.16 178.94 1baz h GLN 39 N 0.35 1.11 -0.56 1.82 1.08 -0.88 0.29 115.11 118.32 1baz h GLN 39 Ca 0.12 -0.22 -0.08 0.00 -1.45 0.00 0.00 58.65 57.02 1baz h GLN 39 Cb 0.00 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.24 1baz h GLN 39 CO -0.06 0.93 0.03 0.00 -0.95 0.00 0.00 178.83 178.78 1baz h ARG 40 N 1.06 0.97 -0.55 1.46 3.08 -1.04 -0.87 114.38 118.49 1baz h ARG 40 Ca 0.24 -0.29 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 1baz h ARG 40 Cb 0.25 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1baz h ARG 40 CO -0.02 0.96 0.04 0.28 -1.07 0.00 0.00 179.97 180.16 1baz h VAL 41 N 0.86 1.26 -0.58 2.04 2.07 -0.77 -1.90 116.25 119.22 1baz h VAL 41 Ca 0.16 -1.05 -0.05 0.00 0.82 0.00 0.00 66.70 66.59 1baz h VAL 41 Cb 0.50 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1baz h VAL 41 CO 0.02 0.38 0.18 0.24 0.02 0.00 0.00 177.57 178.41 1baz h MET 42 N 0.84 0.88 -0.51 1.57 2.86 -0.69 -2.61 114.93 117.26 1baz h MET 42 Ca 0.16 -0.17 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 1baz h MET 42 Cb 0.48 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1baz h MET 42 CO 0.02 0.77 -0.18 0.93 1.06 0.00 0.00 176.91 179.51 1baz h GLU 43 N 0.86 1.02 -0.71 1.72 4.39 -0.74 -2.33 114.58 118.78 1baz h GLU 43 Ca 0.19 -0.42 0.03 0.00 0.34 0.00 0.00 59.36 59.51 1baz h GLU 43 Cb 0.26 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 1baz h GLU 43 CO -0.01 1.10 0.45 0.66 -1.16 0.00 0.00 179.01 180.05 1baz h SER 44 N 0.89 0.74 -0.25 1.42 4.64 -1.07 0.35 113.55 120.26 1baz h SER 44 Ca 0.12 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.37 1baz h SER 44 Cb 0.76 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.67 1baz h SER 44 CO 0.06 0.51 -0.08 -0.26 -0.87 0.00 0.00 176.83 176.19 1baz h PHE 45 N 0.87 0.67 -0.34 4.77 0.04 -1.38 -1.66 116.94 119.92 1baz h PHE 45 Ca 0.29 -0.10 -0.11 0.00 2.80 0.00 0.00 57.97 60.85 1baz h PHE 45 Cb 0.02 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 37.98 1baz h PHE 45 CO -0.04 0.69 -0.21 0.87 -0.60 0.00 0.00 178.31 179.02 1baz h LYS 46 N 0.58 0.74 -0.03 1.51 1.57 -0.81 0.25 116.57 120.39 1baz h LYS 46 Ca 0.11 -0.34 0.03 0.00 -1.87 0.00 0.00 60.65 58.57 1baz h LYS 46 Cb 0.48 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 1baz h LYS 46 CO 0.03 0.96 -0.13 0.87 -0.57 0.00 0.00 179.45 180.60 1baz h LYS 47 N 0.52 -0.20 0.00 3.15 1.57 -0.67 0.42 116.57 121.36 1baz h LYS 47 Ca 0.07 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1baz h LYS 47 Cb 0.76 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1baz h LYS 47 CO 0.06 -0.13 0.00 0.39 -0.57 0.00 0.00 179.45 179.20 1baz n GLU 48 N -5.26 0.10 -0.85 3.15 1.02 -0.65 -4.81 120.64 113.34 1baz n GLU 48 Ca -0.05 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 1baz n GLU 48 Cb 0.18 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 29.81 1baz n GLU 48 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1baz n GLY 49 N -1.05 0.54 0.16 0.62 0.00 0.14 -4.92 105.19 100.69 1baz n GLY 49 Ca -0.00 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.82 1baz n GLY 49 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1baz h ARG 50 N 0.96 0.00 -6.06 1.61 3.08 -0.74 -3.46 114.38 109.77 1baz h ARG 50 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 1baz h ARG 50 Cb 0.00 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 29.76 1baz h ARG 50 CO 0.00 0.00 -0.86 0.42 -1.07 0.00 0.00 179.97 178.46 1baz s ILE 51 N -3.28 1.66 -0.22 2.04 -1.09 -0.99 -4.95 121.20 114.37 1baz s ILE 51 Ca 0.04 -0.93 -0.29 0.00 -2.23 0.00 0.00 60.65 57.24 1baz s ILE 51 Cb 0.08 -1.39 -0.01 0.00 -1.58 0.00 0.00 42.46 39.56 1baz s ILE 51 CO 0.72 0.44 1.31 -0.83 -1.23 0.00 0.00 174.94 175.35 1baz s GLY 52 N -0.57 1.52 0.00 6.18 0.00 -1.26 -4.44 107.32 108.75 1baz s GLY 52 Ca 0.08 0.33 0.00 0.00 0.00 0.00 0.00 44.72 45.13 1baz s GLY 52 CO -0.01 2.57 0.27 0.00 0.00 0.00 0.00 173.10 175.93