#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1occ n HIS 2 N 0.00 0.05 -2.52 1.43 -0.00 -1.26 -4.81 115.22 108.11 1occ n HIS 2 Ca 0.00 -0.02 -0.43 0.00 -0.00 0.00 0.00 57.72 57.27 1occ n HIS 2 Cb 0.00 -0.08 -0.02 0.00 -0.00 0.00 0.00 29.99 29.89 1occ n HIS 2 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1occ s TYR 3 N -1.28 2.93 0.67 4.41 2.02 -1.26 -4.99 117.35 119.85 1occ s TYR 3 Ca 0.01 1.05 -0.17 0.00 -0.37 0.00 0.00 57.07 57.60 1occ s TYR 3 Cb 0.01 -3.72 0.00 0.00 -0.40 0.00 0.00 41.96 37.86 1occ s TYR 3 CO 0.01 -1.28 1.26 -1.21 -1.57 0.00 0.00 175.55 172.76 1occ s GLU 4 N 3.80 2.45 0.22 -0.62 0.41 -1.26 -5.04 118.70 118.65 1occ s GLU 4 Ca 0.51 1.95 0.07 0.00 -0.41 0.00 0.00 54.97 57.09 1occ s GLU 4 Cb -0.16 -1.85 -0.05 0.00 -1.78 0.00 0.00 34.13 30.30 1occ s GLU 4 CO 0.18 -1.65 -0.12 -1.21 -0.49 0.00 0.00 175.26 171.97 1occ s GLU 5 N -3.54 1.37 0.00 1.61 2.02 -1.26 -4.73 118.70 114.17 1occ s GLU 5 Ca 0.80 -1.63 0.00 0.00 0.02 0.00 0.00 54.97 54.15 1occ s GLU 5 Cb -0.34 -1.08 0.00 0.00 0.10 0.00 0.00 34.13 32.81 1occ s GLU 5 CO 0.41 0.13 0.00 0.41 0.02 0.00 0.00 175.26 176.23 1occ n GLY 6 N -0.42 2.02 3.53 -1.39 0.00 -1.26 -4.81 105.19 102.87 1occ n GLY 6 Ca -0.07 -2.00 -0.50 0.00 0.00 0.00 0.00 46.02 43.44 1occ n GLY 6 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1occ n PRO 7 N 1.05 0.74 -0.66 1.61 -0.02 -1.26 -0.49 135.00 135.97 1occ n PRO 7 Ca 0.00 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1occ n PRO 7 Cb 0.00 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1occ n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1occ n GLY 8 N 1.86 1.22 0.04 -1.23 0.00 -1.26 -4.80 105.19 101.02 1occ n GLY 8 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.20 1occ n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1occ n LYS 9 N -2.00 4.46 -1.10 1.61 5.02 0.35 -4.56 118.16 121.95 1occ n LYS 9 Ca 0.00 -0.14 -0.18 0.00 -2.02 0.00 0.00 58.31 55.97 1occ n LYS 9 Cb 0.00 -0.78 0.21 0.00 -0.02 0.00 0.00 35.03 34.43 1occ n LYS 9 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1occ n ASN 10 N -0.86 4.01 -4.17 4.39 6.94 -1.22 -4.78 115.26 119.56 1occ n ASN 10 Ca 0.01 -3.40 -0.17 0.00 -0.02 0.00 0.00 54.58 51.00 1occ n ASN 10 Cb 0.08 -0.79 -0.12 0.00 -2.36 0.00 0.00 39.78 36.59 1occ n ASN 10 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1occ s ILE 11 N -3.02 1.06 -2.00 1.53 -4.36 -1.26 -5.05 121.20 108.10 1occ s ILE 11 Ca 0.53 -1.41 0.04 0.00 -0.26 0.00 0.00 60.65 59.56 1occ s ILE 11 Cb 0.44 -1.15 0.13 0.00 1.25 0.00 0.00 42.46 43.13 1occ s ILE 11 CO 0.11 -0.33 1.17 -0.81 0.24 0.00 0.00 174.94 175.32 1occ n PRO 12 N 1.05 1.00 -4.11 0.37 -0.04 -1.26 -4.81 135.00 127.21 1occ n PRO 12 Ca -0.20 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.12 1occ n PRO 12 Cb 0.55 -1.07 -0.12 0.00 -0.04 0.00 0.00 33.50 32.82 1occ n PRO 12 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1occ s PHE 13 N -2.00 0.73 0.06 0.54 -0.12 -1.26 -5.13 117.98 110.80 1occ s PHE 13 Ca 0.07 -0.42 -0.31 0.00 -0.05 0.00 0.00 56.93 56.22 1occ s PHE 13 Cb 0.03 -0.44 -0.06 0.00 -0.63 0.00 0.00 43.02 41.93 1occ s PHE 13 CO 0.05 -0.05 1.20 0.45 -0.05 0.00 0.00 175.22 176.82 1occ s SER 14 N -1.34 7.08 -0.05 1.98 0.15 -1.26 -4.93 113.70 115.33 1occ s SER 14 Ca -0.07 2.02 0.11 0.00 0.70 0.00 0.00 55.95 58.71 1occ s SER 14 Cb -0.09 -2.58 0.30 0.00 -1.71 0.00 0.00 66.02 61.94 1occ s SER 14 CO 0.01 -0.47 1.23 0.55 1.20 0.00 0.00 173.24 175.76 1occ n VAL 15 N 3.94 1.38 0.03 4.45 3.14 -1.26 -4.57 118.33 125.44 1occ n VAL 15 Ca 0.09 -1.32 -0.08 0.00 -2.96 0.00 0.00 64.34 60.07 1occ n VAL 15 Cb 0.46 0.26 0.07 0.00 -1.06 0.00 0.00 33.84 33.57 1occ n VAL 15 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1occ h GLU 16 N 1.39 0.45 -4.86 1.45 4.39 -1.91 -3.40 114.58 112.08 1occ h GLU 16 Ca 0.00 -0.30 -0.68 0.00 0.34 0.00 0.00 59.36 58.72 1occ h GLU 16 Cb 0.88 0.04 -0.30 0.00 -0.10 0.00 0.00 28.75 29.27 1occ h GLU 16 CO 0.05 0.92 -0.71 1.21 -1.16 0.00 0.00 179.01 179.32 1occ s ASN 17 N -6.93 4.61 0.55 1.42 3.84 -1.26 -5.00 114.94 112.17 1occ s ASN 17 Ca -0.06 -0.88 0.24 0.00 0.21 0.00 0.00 52.86 52.36 1occ s ASN 17 Cb 0.11 -1.73 1.49 0.00 -0.55 0.00 0.00 41.25 40.57 1occ s ASN 17 CO 0.83 -0.16 2.12 0.07 -2.79 0.00 0.00 177.10 177.17 1occ h LYS 18 N 8.07 0.00 0.04 0.43 2.10 -1.95 -0.98 116.57 124.29 1occ h LYS 18 Ca -0.31 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.07 1occ h LYS 18 Cb 1.11 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.41 1occ h LYS 18 CO 0.58 0.00 -1.48 -1.49 -2.00 0.00 0.00 179.45 175.06 1occ h TRP 19 N 0.00 0.15 -0.42 0.07 4.06 -1.97 -0.61 115.95 117.23 1occ h TRP 19 Ca 0.08 -0.11 -0.07 0.00 2.06 0.00 0.00 58.89 60.84 1occ h TRP 19 Cb 0.34 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.48 1occ h TRP 19 CO 0.00 1.15 -0.01 0.00 -3.56 0.00 0.00 178.44 176.01 1occ h ARG 20 N 0.02 0.76 -0.29 0.49 3.08 -1.85 -1.02 114.38 115.57 1occ h ARG 20 Ca -0.20 -0.25 0.04 0.00 0.07 0.00 0.00 59.98 59.64 1occ h ARG 20 Cb 1.95 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.89 1occ h ARG 20 CO 0.12 0.84 0.03 1.25 -1.07 0.00 0.00 179.97 181.14 1occ h LEU 21 N 0.59 -0.04 -0.75 3.04 5.85 -1.22 -0.77 115.31 122.01 1occ h LEU 21 Ca 0.12 0.05 0.14 0.00 0.84 0.00 0.00 57.88 59.03 1occ h LEU 21 Cb 0.51 0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.53 1occ h LEU 21 CO 0.02 0.02 0.30 0.25 -0.34 0.00 0.00 178.44 178.69 1occ h LEU 22 N 0.13 0.29 0.33 2.25 6.46 -0.45 0.12 115.31 124.44 1occ h LEU 22 Ca 0.14 0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.98 1occ h LEU 22 Cb 0.16 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.17 1occ h LEU 22 CO -0.20 0.11 -0.16 0.00 -0.62 0.00 0.00 178.44 177.57 1occ h ALA 23 N 1.54 -0.45 -0.54 1.25 0.00 -0.29 -1.89 119.26 118.88 1occ h ALA 23 Ca 0.41 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.26 1occ h ALA 23 Cb 0.61 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 1occ h ALA 23 CO -0.39 -0.71 0.22 0.52 0.00 0.00 0.00 179.25 178.88 1occ h MET 24 N -0.53 0.40 -0.67 0.00 2.86 0.35 -0.59 114.93 116.75 1occ h MET 24 Ca -0.05 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 1occ h MET 24 Cb 0.40 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 1occ h MET 24 CO 0.08 0.27 0.23 0.52 1.06 0.00 0.00 176.91 179.06 1occ h MET 25 N 0.41 1.01 -0.39 1.72 2.07 -0.79 0.54 114.93 119.50 1occ h MET 25 Ca 0.26 -0.19 -0.01 0.00 -2.07 0.00 0.00 59.70 57.69 1occ h MET 25 Cb 0.26 -0.16 -0.02 0.00 -1.87 0.00 0.00 31.60 29.81 1occ h MET 25 CO -0.24 0.85 0.20 1.15 1.07 0.00 0.00 176.91 179.94 1occ h THR 26 N 0.98 1.16 -0.24 2.22 2.02 -0.55 -0.65 112.91 117.86 1occ h THR 26 Ca 0.22 -0.42 -0.10 0.00 0.77 0.00 0.00 66.41 66.88 1occ h THR 26 Cb 0.24 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1occ h THR 26 CO -0.01 0.17 -0.23 -0.07 0.37 0.00 0.00 175.52 175.74 1occ h LEU 27 N 0.50 0.61 0.00 2.58 4.07 -0.71 0.07 115.31 122.43 1occ h LEU 27 Ca 0.14 -0.47 0.00 0.00 0.08 0.00 0.00 57.88 57.62 1occ h LEU 27 Cb 0.08 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.65 1occ h LEU 27 CO -0.02 0.96 0.00 0.33 -1.08 0.00 0.00 178.44 178.63 1occ n PHE 28 N -4.38 0.00 0.08 1.13 7.35 0.14 -0.34 117.46 121.45 1occ n PHE 28 Ca -0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.65 1occ n PHE 28 Cb 0.43 -0.47 0.32 0.00 0.35 0.00 0.00 39.48 40.10 1occ n PHE 28 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1occ h PHE 29 N 0.00 0.34 -0.02 -5.13 0.04 -1.26 -2.79 116.94 108.12 1occ h PHE 29 Ca 0.00 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 1occ h PHE 29 Cb 0.00 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.06 1occ h PHE 29 CO -0.03 0.48 0.01 0.78 -0.60 0.00 0.00 178.31 178.95 1occ h GLY 30 N 0.88 0.04 2.00 -1.45 0.00 -0.88 -1.41 103.07 102.24 1occ h GLY 30 Ca 0.05 -0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 1occ h GLY 30 CO 0.03 0.02 -0.22 1.48 0.00 0.00 0.00 176.54 177.85 1occ h SER 31 N -0.09 0.00 -0.32 0.19 4.64 -0.63 -1.56 113.55 115.77 1occ h SER 31 Ca 0.01 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.19 1occ h SER 31 Cb 0.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1occ h SER 31 CO -0.00 0.22 -0.35 1.23 -0.87 0.00 0.00 176.83 177.06 1occ h GLY 32 N 0.68 0.88 2.00 -0.77 0.00 -1.17 -2.84 103.07 101.86 1occ h GLY 32 Ca -0.00 -0.92 -0.12 0.00 0.00 0.00 0.00 47.33 46.29 1occ h GLY 32 CO 0.03 0.83 -0.58 -2.75 0.00 0.00 0.00 176.54 174.07 1occ h PHE 33 N 0.59 0.00 0.00 5.60 3.57 -0.81 -3.27 116.94 122.62 1occ h PHE 33 Ca 0.05 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.38 1occ h PHE 33 Cb 0.93 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 1occ h PHE 33 CO 0.07 0.58 -0.83 0.00 -2.23 0.00 0.00 178.31 175.90 1occ h ALA 34 N 1.42 0.50 -0.48 2.41 0.00 -1.30 -3.38 119.26 118.42 1occ h ALA 34 Ca -0.01 -0.74 0.09 0.00 0.00 0.00 0.00 54.91 54.25 1occ h ALA 34 Cb 1.13 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.72 1occ h ALA 34 CO 0.08 1.00 -0.33 0.00 0.00 0.00 0.00 179.25 180.00 1occ h ALA 35 N 1.21 -0.11 -0.95 0.00 0.00 -1.55 -0.83 119.26 117.03 1occ h ALA 35 Ca -0.02 0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1occ h ALA 35 Cb 1.62 0.73 -0.07 0.00 0.00 0.00 0.00 17.79 20.07 1occ h ALA 35 CO 0.10 -0.70 0.61 -1.35 0.00 0.00 0.00 179.25 177.91 1occ h PRO 36 N -0.21 0.94 -0.47 0.00 0.11 -1.79 -0.81 132.00 129.78 1occ h PRO 36 Ca 0.20 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1occ h PRO 36 Cb 0.54 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.41 1occ h PRO 36 CO -0.60 0.62 0.30 0.74 -0.21 0.00 0.00 178.00 178.85 1occ h PHE 37 N 0.97 0.60 0.00 0.65 0.04 -1.40 -1.43 116.94 116.38 1occ h PHE 37 Ca 0.45 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 61.20 1occ h PHE 37 Cb 0.41 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 38.35 1occ h PHE 37 CO -0.00 0.40 -0.12 0.74 -0.60 0.00 0.00 178.31 178.73 1occ h PHE 38 N 0.63 0.00 -0.06 -0.55 -1.00 -0.84 -1.73 116.94 113.38 1occ h PHE 38 Ca 0.17 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.86 1occ h PHE 38 Cb -0.04 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.52 1occ h PHE 38 CO -0.04 0.12 -0.30 0.82 -1.61 0.00 0.00 178.31 177.30 1occ h ILE 39 N 0.00 1.44 -0.48 -0.55 2.04 -0.49 -0.76 117.51 118.72 1occ h ILE 39 Ca -0.00 -1.74 0.03 0.00 1.00 0.00 0.00 64.86 64.15 1occ h ILE 39 Cb 0.75 2.38 -0.04 0.00 -0.74 0.00 0.00 36.82 39.18 1occ h ILE 39 CO 0.02 0.50 0.25 0.58 0.00 0.00 0.00 178.15 179.49 1occ h VAL 40 N -0.21 0.99 -0.26 1.67 2.07 -1.16 0.34 116.25 119.69 1occ h VAL 40 Ca -0.02 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.37 1occ h VAL 40 Cb 0.96 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1occ h VAL 40 CO 0.06 0.09 -0.00 -0.09 0.02 0.00 0.00 177.57 177.65 1occ h ARG 41 N 0.50 0.08 -0.94 1.57 2.43 -1.28 0.68 114.38 117.42 1occ h ARG 41 Ca 0.20 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.43 1occ h ARG 41 Cb 0.08 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.55 1occ h ARG 41 CO -0.13 0.05 0.60 1.25 -1.51 0.00 0.00 179.97 180.24 1occ h HIS 42 N 0.08 1.12 -0.12 2.20 2.76 -0.15 -1.17 115.15 119.87 1occ h HIS 42 Ca 0.12 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.19 1occ h HIS 42 Cb 0.16 -0.37 -0.01 0.00 1.55 0.00 0.00 27.41 28.74 1occ h HIS 42 CO -0.21 0.59 -0.52 1.96 -1.30 0.00 0.00 177.93 178.45 1occ h GLN 43 N 1.11 0.32 0.00 5.26 1.08 -0.01 -2.74 115.11 120.13 1occ h GLN 43 Ca 0.40 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 1occ h GLN 43 Cb 0.14 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1occ h GLN 43 CO -0.17 0.76 0.00 -0.07 -0.95 0.00 0.00 178.83 178.41 1occ h LEU 44 N 0.25 0.00 -4.98 1.46 4.07 0.28 -3.25 115.31 113.14 1occ h LEU 44 Ca 0.01 0.00 -0.68 0.00 0.08 0.00 0.00 57.88 57.28 1occ h LEU 44 Cb 1.00 0.00 -0.34 0.00 1.08 0.00 0.00 40.66 42.39 1occ h LEU 44 CO 0.08 0.00 0.18 0.18 -1.08 0.00 0.00 178.44 177.80 1occ n LEU 45 N -2.71 6.09 -3.92 1.67 4.77 -0.74 -4.99 117.00 117.17 1occ n LEU 45 Ca 0.01 -5.14 -0.18 0.00 -0.03 0.00 0.00 56.01 50.67 1occ n LEU 45 Cb 0.28 -0.79 -0.16 0.00 -2.33 0.00 0.00 43.42 40.43 1occ n LEU 45 CO 0.24 2.04 -0.41 -0.54 -1.33 0.00 0.00 177.39 177.40 1occ s LYS 46 N -3.83 0.65 0.00 3.23 1.02 -1.23 -4.99 119.74 114.59 1occ s LYS 46 Ca 0.49 -0.14 0.00 0.00 0.02 0.00 0.00 55.97 56.34 1occ s LYS 46 Cb 0.38 -0.66 0.00 0.00 -0.52 0.00 0.00 37.83 37.03 1occ s LYS 46 CO -0.27 0.01 0.00 1.17 -0.92 0.00 0.00 175.35 175.34