#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r7d s GLY 2 N 0.00 2.01 -0.34 0.23 0.00 -1.26 -5.02 107.32 102.94 1r7d s GLY 2 Ca 0.00 0.30 -0.11 0.00 0.00 0.00 0.00 44.72 44.91 1r7d s GLY 2 CO 0.00 0.61 0.20 -0.45 0.00 0.00 0.00 173.10 173.46 1r7d s SER 3 N -3.06 5.78 0.07 1.64 0.15 -1.26 -4.93 113.70 112.10 1r7d s SER 3 Ca 0.62 -0.63 -0.01 0.00 0.70 0.00 0.00 55.95 56.63 1r7d s SER 3 Cb -0.15 -2.06 -0.00 0.00 -1.71 0.00 0.00 66.02 62.10 1r7d s SER 3 CO 0.41 -0.27 -0.01 1.87 1.20 0.00 0.00 173.24 176.43 1r7d n TRP 4 N 5.04 0.00 -0.36 3.44 -0.00 -1.26 -4.32 117.44 119.98 1r7d n TRP 4 Ca -0.13 0.00 0.01 0.00 -0.00 0.00 0.00 57.50 57.38 1r7d n TRP 4 Cb 0.48 -0.02 0.15 0.00 -0.00 0.00 0.00 31.31 31.92 1r7d n TRP 4 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 1r7d h LEU 5 N -0.04 1.04 -0.45 5.87 3.38 -2.00 -1.66 115.31 121.44 1r7d h LEU 5 Ca 0.00 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1r7d h LEU 5 Cb 0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1r7d h LEU 5 CO 0.00 0.69 -0.45 -0.09 0.09 0.00 0.00 178.44 178.68 1r7d h ARG 6 N 1.20 0.78 -0.90 1.13 9.65 -1.97 -2.32 114.38 121.95 1r7d h ARG 6 Ca 0.40 -0.44 0.03 0.00 -1.10 0.00 0.00 59.98 58.87 1r7d h ARG 6 Cb 0.07 0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.63 1r7d h ARG 6 CO -0.14 1.07 0.59 0.22 2.80 0.00 0.00 179.97 184.50 1r7d h ASP 7 N 0.63 0.98 -0.12 -3.80 1.82 -1.54 -2.15 116.42 112.24 1r7d h ASP 7 Ca 0.04 -0.01 -0.16 0.00 -0.39 0.00 0.00 57.03 56.51 1r7d h ASP 7 Cb 1.02 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.80 1r7d h ASP 7 CO 0.10 0.68 -0.49 0.40 -1.61 0.00 0.00 179.24 178.31 1r7d h ILE 8 N 1.15 1.30 -0.99 2.25 2.04 -1.23 -3.11 117.51 118.90 1r7d h ILE 8 Ca 0.35 -1.70 0.11 0.00 1.00 0.00 0.00 64.86 64.63 1r7d h ILE 8 Cb -0.02 1.63 -0.08 0.00 -0.74 0.00 0.00 36.82 37.61 1r7d h ILE 8 CO -0.11 0.54 0.62 -0.25 0.00 0.00 0.00 178.15 178.95 1r7d h TRP 9 N 0.54 1.13 -0.44 1.37 -0.00 -0.82 -0.43 115.95 117.31 1r7d h TRP 9 Ca 0.02 0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 58.95 1r7d h TRP 9 Cb 1.05 -0.36 -0.02 0.00 -0.00 0.00 0.00 29.16 29.83 1r7d h TRP 9 CO 0.05 0.47 0.27 0.22 -0.00 0.00 0.00 178.44 179.45 1r7d h ASP 10 N 1.01 0.52 -0.45 2.65 3.58 -1.42 -1.97 116.42 120.34 1r7d h ASP 10 Ca 0.48 -0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.80 1r7d h ASP 10 Cb 0.44 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 1r7d h ASP 10 CO -0.25 0.41 -0.03 -0.25 -2.88 0.00 0.00 179.24 176.24 1r7d h TRP 11 N 0.59 0.95 -0.71 0.28 7.01 -1.33 -1.81 115.95 120.93 1r7d h TRP 11 Ca 0.16 -0.15 0.01 0.00 2.11 0.00 0.00 58.89 61.02 1r7d h TRP 11 Cb -0.02 -0.25 -0.04 0.00 -2.10 0.00 0.00 29.16 26.75 1r7d h TRP 11 CO -0.04 0.88 0.47 0.82 -2.79 0.00 0.00 178.44 177.78 1r7d h ILE 12 N 0.81 1.16 -0.08 2.65 2.04 -0.65 -1.10 117.51 122.34 1r7d h ILE 12 Ca 0.15 -0.32 -0.17 0.00 1.00 0.00 0.00 64.86 65.51 1r7d h ILE 12 Cb 0.52 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1r7d h ILE 12 CO 0.03 0.17 -0.70 0.00 0.00 0.00 0.00 178.15 177.65 1r7d h GLU 14 N 0.26 0.63 -0.47 0.00 4.81 -0.43 -2.14 114.58 117.24 1r7d h GLU 14 Ca -0.02 -0.14 -0.07 0.00 -0.13 0.00 0.00 59.36 59.00 1r7d h GLU 14 Cb 1.26 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 1r7d h GLU 14 CO 0.12 0.63 0.00 0.28 -0.73 0.00 0.00 179.01 179.31 1r7d h VAL 15 N 0.51 1.24 -0.38 0.32 2.07 -1.24 -0.05 116.25 118.72 1r7d h VAL 15 Ca 0.13 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 1r7d h VAL 15 Cb 0.27 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1r7d h VAL 15 CO -0.00 0.35 0.24 0.25 0.02 0.00 0.00 177.57 178.42 1r7d h LEU 16 N 0.73 0.45 -0.64 2.57 5.85 -1.14 0.55 115.31 123.68 1r7d h LEU 16 Ca 0.14 -0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.70 1r7d h LEU 16 Cb 0.44 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1r7d h LEU 16 CO 0.02 0.36 -0.22 -1.28 -0.34 0.00 0.00 178.44 176.97 1r7d h SER 17 N 0.50 0.85 -0.48 1.25 0.87 -1.13 -2.98 113.55 112.43 1r7d h SER 17 Ca 0.14 -0.31 -0.07 0.00 -1.23 0.00 0.00 61.79 60.31 1r7d h SER 17 Cb -0.02 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.69 1r7d h SER 17 CO -0.03 1.04 0.01 -0.78 -0.53 0.00 0.00 176.83 176.55 1r7d h ASP 18 N 0.72 0.83 -0.73 6.23 1.82 -0.46 -2.91 116.42 121.92 1r7d h ASP 18 Ca 0.10 -0.30 0.16 0.00 -0.39 0.00 0.00 57.03 56.60 1r7d h ASP 18 Cb 0.75 -0.22 -0.12 0.00 0.68 0.00 0.00 39.33 40.42 1r7d h ASP 18 CO 0.06 0.92 0.01 0.15 -1.61 0.00 0.00 179.24 178.78 1r7d h PHE 19 N 0.70 -0.03 -0.27 0.28 3.04 0.25 1.42 116.94 122.33 1r7d h PHE 19 Ca 0.14 0.05 -0.02 0.00 3.98 0.00 0.00 57.97 62.13 1r7d h PHE 19 Cb 0.49 0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.12 1r7d h PHE 19 CO 0.04 -0.22 0.11 -0.22 -2.02 0.00 0.00 178.31 176.00 1r7d h LYS 20 N 0.11 0.41 -0.25 1.11 3.64 -1.52 -2.43 116.57 117.64 1r7d h LYS 20 Ca 0.39 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 59.58 1r7d h LYS 20 Cb 0.68 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1r7d h LYS 20 CO -0.63 0.44 -0.35 1.15 -2.27 0.00 0.00 179.45 177.79 1r7d h THR 21 N 0.29 1.29 -0.38 1.00 2.02 -0.79 -2.67 112.91 113.68 1r7d h THR 21 Ca 0.09 -1.48 0.04 0.00 0.77 0.00 0.00 66.41 65.84 1r7d h THR 21 Cb 0.18 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 1r7d h THR 21 CO -0.01 0.47 0.13 -0.25 0.37 0.00 0.00 175.52 176.23 1r7d h TRP 22 N 0.46 0.24 -0.48 3.16 7.01 0.21 0.57 115.95 127.11 1r7d h TRP 22 Ca 0.05 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.04 1r7d h TRP 22 Cb 0.83 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.82 1r7d h TRP 22 CO 0.03 0.10 0.20 -0.07 -2.79 0.00 0.00 178.44 175.91 1r7d h LEU 23 N 0.29 0.65 -0.52 0.65 4.07 -1.33 0.70 115.31 119.81 1r7d h LEU 23 Ca 0.17 -0.15 -0.09 0.00 0.08 0.00 0.00 57.88 57.89 1r7d h LEU 23 Cb 0.15 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.70 1r7d h LEU 23 CO -0.18 0.62 -0.03 0.50 -1.08 0.00 0.00 178.44 178.28 1r7d h LYS 24 N 0.63 0.94 0.00 1.13 3.64 -1.06 -1.97 116.57 119.87 1r7d h LYS 24 Ca 0.16 -0.31 -0.08 0.00 -1.27 0.00 0.00 60.65 59.14 1r7d h LYS 24 Cb 0.17 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1r7d h LYS 24 CO -0.02 0.97 -0.39 0.00 -2.27 0.00 0.00 179.45 177.74 1r7d h ALA 25 N 0.93 1.29 -0.07 5.00 0.00 0.35 -3.06 119.26 123.70 1r7d h ALA 25 Ca 0.14 -0.36 -0.24 0.00 0.00 0.00 0.00 54.91 54.46 1r7d h ALA 25 Cb 0.57 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1r7d h ALA 25 CO 0.03 0.49 -0.90 0.87 0.00 0.00 0.00 179.25 179.75 1r7d h LYS 26 N 0.00 0.69 -2.14 0.00 1.79 -0.55 -3.45 116.57 112.91 1r7d h LYS 26 Ca -0.00 -0.65 -0.05 0.00 -2.18 0.00 0.00 60.65 57.77 1r7d h LYS 26 Cb 0.72 0.16 -0.26 0.00 -1.58 0.00 0.00 32.23 31.28 1r7d h LYS 26 CO 0.05 1.25 -0.33 -1.17 -1.08 0.00 0.00 179.45 178.17 1r7d s LEU 27 N -8.19 -0.83 0.02 2.94 2.96 -0.77 -5.01 118.68 109.80 1r7d s LEU 27 Ca -0.09 0.97 0.00 0.00 -0.22 0.00 0.00 54.13 54.79 1r7d s LEU 27 Cb 0.08 1.60 0.00 0.00 0.50 0.00 0.00 46.19 48.37 1r7d s LEU 27 CO 0.90 -0.24 0.00 0.80 -1.32 0.00 0.00 176.35 176.49 1r7d n MET 28 N 5.40 0.00 -0.70 1.98 1.56 -1.24 -4.52 117.12 119.61 1r7d n MET 28 Ca -0.08 0.00 -0.16 0.00 -0.27 0.00 0.00 57.70 57.19 1r7d n MET 28 Cb 0.50 0.00 0.13 0.00 2.15 0.00 0.00 33.22 36.00 1r7d n MET 28 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1r7d n PRO 29 N -2.77 -1.77 -2.90 2.12 -0.04 -1.26 -4.94 135.00 123.44 1r7d n PRO 29 Ca 0.00 -1.00 -0.44 0.00 -0.04 0.00 0.00 63.50 62.02 1r7d n PRO 29 Cb 0.00 -0.85 -0.03 0.00 -0.04 0.00 0.00 33.50 32.58 1r7d n PRO 29 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1r7d s GLN 30 N -4.42 3.48 0.00 0.54 -0.21 -1.26 -5.20 119.66 112.60 1r7d s GLN 30 Ca 0.39 -1.52 0.00 0.00 0.02 0.00 0.00 55.36 54.25 1r7d s GLN 30 Cb -0.03 -4.78 0.00 0.00 1.00 0.00 0.00 33.01 29.20 1r7d s GLN 30 CO 0.29 -1.80 0.20 -0.11 -2.12 0.00 0.00 175.29 171.76