#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ipp s PRO 2 N 0.00 0.15 0.16 3.23 0.04 -1.26 -4.93 135.00 132.39 2ipp s PRO 2 Ca 0.00 1.16 -0.00 0.00 0.04 0.00 0.00 61.00 62.20 2ipp s PRO 2 Cb 0.00 -1.65 0.01 0.00 0.04 0.00 0.00 34.50 32.89 2ipp s PRO 2 CO 0.00 -3.10 1.39 0.00 0.04 0.00 0.00 177.00 175.33 2ipp h ALA 3 N -2.19 0.52 -3.43 8.56 0.00 -2.14 -3.44 119.26 117.15 2ipp h ALA 3 Ca -0.52 -0.67 -0.38 0.00 0.00 0.00 0.00 54.91 53.34 2ipp h ALA 3 Cb 1.30 -0.06 -0.22 0.00 0.00 0.00 0.00 17.79 18.81 2ipp h ALA 3 CO 0.47 0.83 -0.77 -1.54 0.00 0.00 0.00 179.25 178.24 2ipp s SER 4 N -6.98 1.40 -0.14 0.00 1.04 -1.26 -5.14 113.70 102.61 2ipp s SER 4 Ca -0.05 -0.55 -0.12 0.00 0.48 0.00 0.00 55.95 55.72 2ipp s SER 4 Cb 0.10 -0.04 0.04 0.00 0.10 0.00 0.00 66.02 66.22 2ipp s SER 4 CO 0.84 -0.09 0.37 0.12 0.98 0.00 0.00 173.24 175.46 2ipp s PHE 5 N -1.17 -0.42 -0.22 5.02 5.36 -1.26 -5.14 117.98 120.14 2ipp s PHE 5 Ca -0.03 1.01 -0.05 0.00 -0.96 0.00 0.00 56.93 56.90 2ipp s PHE 5 Cb -0.09 0.15 0.08 0.00 -0.34 0.00 0.00 43.02 42.81 2ipp s PHE 5 CO 0.01 -0.21 0.11 0.34 -1.46 0.00 0.00 175.22 174.01 2ipp s ASP 6 N 0.35 2.79 0.46 6.13 -1.08 -1.26 -5.03 116.67 119.04 2ipp s ASP 6 Ca -0.01 -0.87 0.25 0.00 -0.52 0.00 0.00 52.55 51.40 2ipp s ASP 6 Cb -0.03 -0.28 1.28 0.00 -1.46 0.00 0.00 42.92 42.43 2ipp s ASP 6 CO -0.01 -0.38 1.81 0.00 0.52 0.00 0.00 175.17 177.10 2ipp h ALA 7 N 8.42 2.57 0.00 3.66 0.00 -1.98 -0.25 119.26 131.66 2ipp h ALA 7 Ca -0.17 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2ipp h ALA 7 Cb 1.10 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2ipp h ALA 7 CO 0.35 -0.92 0.00 0.00 0.00 0.00 0.00 179.25 178.68 2ipp h ARG 8 N 0.23 0.00 0.00 0.00 3.08 -1.88 -0.83 114.38 114.97 2ipp h ARG 8 Ca 0.54 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 60.22 2ipp h ARG 8 Cb 1.70 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.68 2ipp h ARG 8 CO -0.16 0.00 -2.43 0.39 -1.07 0.00 0.00 179.97 176.70 2ipp n GLU 9 N -2.71 0.63 -0.13 0.04 1.02 -0.14 -4.07 120.64 115.27 2ipp n GLU 9 Ca 0.00 0.14 -0.02 0.00 -0.02 0.00 0.00 57.16 57.27 2ipp n GLU 9 Cb 0.20 -1.50 0.22 0.00 -0.02 0.00 0.00 31.44 30.34 2ipp n GLU 9 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2ipp h GLN 10 N 0.00 0.83 -2.11 3.49 5.75 -1.24 -3.34 115.11 118.50 2ipp h GLN 10 Ca -0.56 -0.13 -0.55 0.00 -0.15 0.00 0.00 58.65 57.25 2ipp h GLN 10 Cb 1.87 -0.14 -0.41 0.00 1.07 0.00 0.00 27.48 29.87 2ipp h GLN 10 CO -0.09 0.69 -0.92 0.91 -2.65 0.00 0.00 178.83 176.78 2ipp n TRP 11 N -4.32 1.65 0.31 3.99 8.01 -0.34 -4.89 117.44 121.85 2ipp n TRP 11 Ca 0.05 -3.86 0.20 0.00 -1.31 0.00 0.00 57.50 52.57 2ipp n TRP 11 Cb 0.17 -0.45 0.96 0.00 -2.01 0.00 0.00 31.31 29.99 2ipp n TRP 11 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 2ipp h PRO 12 N 3.50 0.00 0.00 -0.99 0.13 -1.71 -1.91 132.00 131.02 2ipp h PRO 12 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2ipp h PRO 12 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2ipp h PRO 12 CO 0.63 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.40 2ipp n GLN 13 N -2.96 0.69 -3.86 0.86 0.00 -1.26 -4.44 117.38 106.41 2ipp n GLN 13 Ca -0.01 0.01 -0.33 0.00 0.00 0.00 0.00 57.00 56.66 2ipp n GLN 13 Cb 0.15 -1.50 -0.12 0.00 0.00 0.00 0.00 30.24 28.76 2ipp n GLN 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2ipp h PRO 15 N 7.25 0.00 0.00 0.00 0.11 -1.83 -2.70 132.00 134.83 2ipp h PRO 15 Ca -0.07 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 2ipp h PRO 15 Cb 0.97 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 2ipp h PRO 15 CO 0.66 0.05 -0.11 1.79 -0.21 0.00 0.00 178.00 180.19 2ipp h THR 16 N 0.00 0.26 -0.27 -1.15 1.35 -1.94 -3.13 112.91 108.02 2ipp h THR 16 Ca -0.00 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 2ipp h THR 16 Cb 0.23 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.32 2ipp h THR 16 CO 0.01 0.11 0.17 0.40 -0.25 0.00 0.00 175.52 175.96 2ipp h ILE 17 N 0.00 1.08 0.00 6.82 2.04 -1.83 -2.07 117.51 123.54 2ipp h ILE 17 Ca -0.00 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.71 2ipp h ILE 17 Cb 0.68 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2ipp h ILE 17 CO 0.01 0.08 -0.97 0.29 0.00 0.00 0.00 178.15 177.56 2ipp n LYS 18 N -4.49 0.39 -2.33 2.37 5.02 -1.19 -4.85 118.16 113.09 2ipp n LYS 18 Ca 0.01 0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 55.94 2ipp n LYS 18 Cb 0.08 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 33.38 2ipp n LYS 18 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2ipp s GLU 19 N -3.25 4.52 -0.17 1.97 2.12 -0.78 -5.04 118.70 118.06 2ipp s GLU 19 Ca 0.03 1.96 -0.01 0.00 0.36 0.00 0.00 54.97 57.30 2ipp s GLU 19 Cb 0.13 -3.16 -0.01 0.00 0.26 0.00 0.00 34.13 31.35 2ipp s GLU 19 CO 0.78 0.02 -0.11 0.42 -0.54 0.00 0.00 175.26 175.83 2ipp s ILE 20 N -0.92 3.02 0.51 -3.70 -1.09 -1.26 -5.04 121.20 112.72 2ipp s ILE 20 Ca 0.48 -0.64 0.02 0.00 -2.23 0.00 0.00 60.65 58.28 2ipp s ILE 20 Cb -0.35 -2.31 0.10 0.00 -1.58 0.00 0.00 42.46 38.32 2ipp s ILE 20 CO 0.44 0.49 0.70 0.54 -1.23 0.00 0.00 174.94 175.88 2ipp n ARG 21 N 4.16 0.28 -3.65 2.79 1.74 -1.26 -5.12 116.66 115.60 2ipp n ARG 21 Ca -0.19 -2.13 -0.20 0.00 -0.77 0.00 0.00 57.85 54.57 2ipp n ARG 21 Cb 0.52 -0.39 -0.17 0.00 -1.02 0.00 0.00 32.46 31.39 2ipp n ARG 21 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2ipp s ASP 22 N -3.92 1.22 0.29 0.55 -1.08 -1.26 -5.02 116.67 107.44 2ipp s ASP 22 Ca 0.48 0.04 0.25 0.00 -0.52 0.00 0.00 52.55 52.80 2ipp s ASP 22 Cb -0.03 -0.03 0.74 0.00 -1.46 0.00 0.00 42.92 42.14 2ipp s ASP 22 CO 0.32 -0.27 1.74 0.06 0.52 0.00 0.00 175.17 177.54 2ipp h GLN 23 N 8.41 0.00 0.00 4.34 3.07 -1.98 -3.50 115.11 125.46 2ipp h GLN 23 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.61 2ipp h GLN 23 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.68 2ipp h GLN 23 CO 0.17 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.50 2ipp n GLY 24 N 1.05 0.57 2.71 0.06 0.00 -1.26 -3.99 105.19 104.33 2ipp n GLY 24 Ca 0.05 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 2ipp n GLY 24 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ipp n SER 25 N -1.11 5.04 -3.63 1.61 7.64 -1.26 -4.83 113.62 117.08 2ipp n SER 25 Ca 0.00 -2.92 -0.12 0.00 1.01 0.00 0.00 58.87 56.84 2ipp n SER 25 Cb 0.00 -1.57 -0.07 0.00 -1.01 0.00 0.00 64.21 61.56 2ipp n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ipp n GLY 27 N 2.54 4.50 0.69 0.00 0.00 -1.26 -4.48 105.19 107.17 2ipp n GLY 27 Ca -0.13 -1.64 0.08 0.00 0.00 0.00 0.00 46.02 44.32 2ipp n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ipp n SER 28 N 3.16 2.52 -0.07 1.61 3.41 -1.26 -4.59 113.62 118.40 2ipp n SER 28 Ca 0.74 -1.73 0.26 0.00 -0.26 0.00 0.00 58.87 57.88 2ipp n SER 28 Cb 0.24 -0.07 0.71 0.00 -0.26 0.00 0.00 64.21 64.83 2ipp n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ipp h TRP 30 N 0.00 0.17 0.15 0.00 5.08 -1.98 -1.36 115.95 118.00 2ipp h TRP 30 Ca 0.34 -0.02 -0.35 0.00 1.08 0.00 0.00 58.89 59.95 2ipp h TRP 30 Cb 1.64 -0.05 -0.00 0.00 -3.00 0.00 0.00 29.16 27.75 2ipp h TRP 30 CO 0.00 0.34 -1.80 0.00 -1.28 0.00 0.00 178.44 175.70 2ipp h ALA 31 N 1.67 0.27 -0.46 0.11 0.00 -0.02 -3.33 119.26 117.49 2ipp h ALA 31 Ca 0.03 -1.24 0.01 0.00 0.00 0.00 0.00 54.91 53.71 2ipp h ALA 31 Cb 0.41 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2ipp h ALA 31 CO 0.03 1.10 0.31 0.74 0.00 0.00 0.00 179.25 181.43 2ipp h PHE 32 N 0.01 0.58 -0.65 0.00 -1.00 -1.04 -0.78 116.94 114.06 2ipp h PHE 32 Ca -0.37 0.01 0.14 0.00 2.81 0.00 0.00 57.97 60.56 2ipp h PHE 32 Cb 2.01 -0.20 -0.11 0.00 3.61 0.00 0.00 35.95 41.27 2ipp h PHE 32 CO 0.10 0.36 0.02 0.78 -1.61 0.00 0.00 178.31 177.96 2ipp h GLY 33 N 0.63 0.72 0.82 -1.45 0.00 -1.42 -1.49 103.07 100.87 2ipp h GLY 33 Ca 0.17 0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.53 2ipp h GLY 33 CO -0.04 -0.21 -0.39 0.00 0.00 0.00 0.00 176.54 175.90 2ipp h ALA 34 N 1.59 -1.13 0.00 3.60 0.00 -1.53 -2.72 119.26 119.06 2ipp h ALA 34 Ca 0.34 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2ipp h ALA 34 Cb 0.57 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2ipp h ALA 34 CO -0.54 -1.05 0.00 -0.39 0.00 0.00 0.00 179.25 177.27 2ipp h VAL 35 N -1.27 0.00 0.03 0.00 -1.51 -1.05 -0.86 116.25 111.59 2ipp h VAL 35 Ca -0.11 -0.35 -0.12 0.00 -1.23 0.00 0.00 66.70 64.89 2ipp h VAL 35 Cb 0.84 1.24 0.01 0.00 -2.13 0.00 0.00 31.29 31.25 2ipp h VAL 35 CO 0.18 0.00 -0.47 -0.33 -1.23 0.00 0.00 177.57 175.72 2ipp h GLU 36 N 0.00 0.27 0.00 5.19 5.08 -1.29 -2.20 114.58 121.63 2ipp h GLU 36 Ca 0.00 -0.33 -0.14 0.00 -1.00 0.00 0.00 59.36 57.89 2ipp h GLU 36 Cb 0.39 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2ipp h GLU 36 CO 0.00 1.06 -0.68 0.00 -1.00 0.00 0.00 179.01 178.39 2ipp h ALA 37 N 0.22 0.82 -0.10 3.43 0.00 -1.31 -2.59 119.26 119.74 2ipp h ALA 37 Ca -0.07 -0.62 -0.05 0.00 0.00 0.00 0.00 54.91 54.17 2ipp h ALA 37 Cb 1.25 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 2ipp h ALA 37 CO 0.09 0.85 -0.15 0.82 0.00 0.00 0.00 179.25 180.86 2ipp h ILE 38 N 0.00 1.38 -0.09 0.00 2.04 -1.24 -1.31 117.51 118.30 2ipp h ILE 38 Ca -0.01 -1.39 0.04 0.00 1.00 0.00 0.00 64.86 64.50 2ipp h ILE 38 Cb 1.24 2.07 -0.06 0.00 -0.74 0.00 0.00 36.82 39.33 2ipp h ILE 38 CO 0.09 0.40 -0.29 0.28 0.00 0.00 0.00 178.15 178.62 2ipp h SER 39 N -0.16 -0.89 -0.34 1.72 0.02 -1.34 -1.79 113.55 110.77 2ipp h SER 39 Ca 0.01 0.13 0.07 0.00 -0.84 0.00 0.00 61.79 61.16 2ipp h SER 39 Cb 0.71 0.38 -0.07 0.00 0.14 0.00 0.00 62.40 63.56 2ipp h SER 39 CO 0.03 -0.34 -0.10 0.44 -1.14 0.00 0.00 176.83 175.72 2ipp h ASP 40 N -0.39 -0.37 0.48 3.07 3.32 -1.43 -2.88 116.42 118.23 2ipp h ASP 40 Ca 0.09 0.11 -0.10 0.00 0.02 0.00 0.00 57.03 57.15 2ipp h ASP 40 Cb 0.52 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 2ipp h ASP 40 CO -0.31 -0.13 -0.47 0.03 -1.72 0.00 0.00 179.24 176.65 2ipp h ARG 41 N -0.02 0.00 -0.07 3.56 3.08 -0.71 -1.73 114.38 118.49 2ipp h ARG 41 Ca 0.17 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 2ipp h ARG 41 Cb 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 2ipp h ARG 41 CO -0.37 0.47 0.04 0.82 -1.07 0.00 0.00 179.97 179.86 2ipp h ILE 42 N 0.00 1.06 -0.78 2.04 2.04 -1.17 0.16 117.51 120.86 2ipp h ILE 42 Ca -0.00 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.65 2ipp h ILE 42 Cb 0.83 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 2ipp h ILE 42 CO 0.06 0.05 0.30 0.00 0.00 0.00 0.00 178.15 178.56 2ipp h ILE 44 N 1.14 1.32 -0.00 0.00 2.04 -0.99 -3.31 117.51 117.70 2ipp h ILE 44 Ca 0.26 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.60 2ipp h ILE 44 Cb 0.23 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 2ipp h ILE 44 CO -0.02 0.48 -0.18 1.41 0.00 0.00 0.00 178.15 179.83 2ipp n HIS 45 N -4.28 0.00 -3.23 1.37 8.25 0.52 -4.90 115.22 112.94 2ipp n HIS 45 Ca -0.05 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.17 2ipp n HIS 45 Cb 0.49 -0.21 -0.01 0.00 1.12 0.00 0.00 29.99 31.38 2ipp n HIS 45 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2ipp s THR 46 N -2.61 4.85 -2.23 1.59 -1.32 -0.89 -5.07 115.64 109.96 2ipp s THR 46 Ca 0.24 -0.42 0.30 0.00 -1.21 0.00 0.00 61.69 60.60 2ipp s THR 46 Cb 0.19 -3.78 0.74 0.00 -1.51 0.00 0.00 72.50 68.15 2ipp s THR 46 CO 0.52 -0.54 2.00 0.59 -2.21 0.00 0.00 174.62 174.99