#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a0h s SER 12 N 0.00 2.21 -0.19 4.52 0.15 -1.26 -5.13 113.70 114.00 3a0h s SER 12 Ca 0.00 -2.66 -0.21 0.00 0.70 0.00 0.00 55.95 53.78 3a0h s SER 12 Cb 0.00 -0.44 -0.02 0.00 -1.71 0.00 0.00 66.02 63.84 3a0h s SER 12 CO 0.00 -0.24 0.65 -0.31 1.20 0.00 0.00 173.24 174.54 3a0h s TYR 13 N 0.51 3.38 1.01 3.44 4.12 -1.26 -5.04 117.35 123.51 3a0h s TYR 13 Ca 0.26 0.96 -0.22 0.00 0.02 0.00 0.00 57.07 58.09 3a0h s TYR 13 Cb -0.09 -2.82 -0.13 0.00 -1.52 0.00 0.00 41.96 37.40 3a0h s TYR 13 CO -0.10 -0.17 -0.98 -2.30 0.02 0.00 0.00 175.55 172.02 3a0h n PRO 14 N 5.03 -0.19 -0.00 -1.71 -0.02 -1.26 -4.93 135.00 131.92 3a0h n PRO 14 Ca -0.01 -0.05 0.11 0.00 -2.02 0.00 0.00 63.50 61.53 3a0h n PRO 14 Cb 0.50 -1.14 -0.16 0.00 -0.02 0.00 0.00 33.50 32.68 3a0h n PRO 14 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3a0h n ILE 15 N -3.24 0.05 -3.25 4.25 -5.35 -1.26 -4.57 119.36 105.98 3a0h n ILE 15 Ca -0.01 -0.50 -0.43 0.00 -0.27 0.00 0.00 62.75 61.54 3a0h n ILE 15 Cb 0.66 -0.02 -0.00 0.00 -1.74 0.00 0.00 39.64 38.53 3a0h n ILE 15 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3a0h n PHE 16 N -2.29 4.16 -3.65 4.28 3.01 -1.26 -4.90 117.46 116.82 3a0h n PHE 16 Ca -0.04 -3.48 -0.30 0.00 1.01 0.00 0.00 57.45 54.64 3a0h n PHE 16 Cb 0.57 -1.50 -0.04 0.00 -0.01 0.00 0.00 39.48 38.50 3a0h n PHE 16 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3a0h s THR 17 N -1.84 5.16 0.06 4.37 -4.23 -1.26 -4.97 115.64 112.92 3a0h s THR 17 Ca 0.31 -0.04 -0.15 0.00 -1.18 0.00 0.00 61.69 60.63 3a0h s THR 17 Cb -0.04 -3.65 -0.05 0.00 1.34 0.00 0.00 72.50 70.09 3a0h s THR 17 CO -0.02 -0.04 1.25 0.58 -0.54 0.00 0.00 174.62 175.86 3a0h h VAL 18 N 1.89 0.00 -0.77 2.29 2.07 -1.99 0.25 116.25 119.98 3a0h h VAL 18 Ca -0.46 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.30 3a0h h VAL 18 Cb 1.17 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.80 3a0h h VAL 18 CO 0.71 0.00 0.14 -1.14 0.02 0.00 0.00 177.57 177.31 3a0h n ARG 19 N -3.89 -0.06 -0.08 1.57 0.00 -1.26 -0.33 116.66 112.61 3a0h n ARG 19 Ca -0.02 1.12 -0.13 0.00 -0.00 0.00 0.00 57.85 58.82 3a0h n ARG 19 Cb 0.16 -1.86 -0.05 0.00 0.00 0.00 0.00 32.46 30.71 3a0h n ARG 19 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.63 179.98 3a0h h TRP 20 N 0.00 0.69 -0.72 -0.14 7.01 -0.93 -2.69 115.95 119.16 3a0h h TRP 20 Ca 0.53 -0.20 0.16 0.00 2.11 0.00 0.00 58.89 61.49 3a0h h TRP 20 Cb 1.21 -0.15 -0.11 0.00 -2.10 0.00 0.00 29.16 28.01 3a0h h TRP 20 CO -0.27 0.89 0.11 0.28 -2.79 0.00 0.00 178.44 176.66 3a0h h VAL 21 N 0.29 0.47 0.00 2.65 2.07 1.00 -1.03 116.25 121.70 3a0h h VAL 21 Ca 0.04 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3a0h h VAL 21 Cb 0.76 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3a0h h VAL 21 CO 0.05 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.68 3a0h n ALA 22 N -2.74 -0.23 0.23 1.67 0.00 -1.20 -1.63 120.51 116.61 3a0h n ALA 22 Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.58 3a0h n ALA 22 Cb 0.45 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.91 3a0h n ALA 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3a0h n VAL 23 N -1.29 0.00 -0.11 0.00 0.31 -1.02 0.54 118.33 116.77 3a0h n VAL 23 Ca 0.00 0.74 -0.22 0.00 -0.01 0.00 0.00 64.34 64.85 3a0h n VAL 23 Cb 0.00 -1.48 -0.11 0.00 -0.91 0.00 0.00 33.84 31.34 3a0h n VAL 23 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3a0h n HIS 24 N -2.00 0.90 -0.53 3.52 8.25 -0.41 -2.70 115.22 122.25 3a0h n HIS 24 Ca 0.00 0.39 0.45 0.00 -0.26 0.00 0.00 57.72 58.31 3a0h n HIS 24 Cb 0.75 -1.07 0.79 0.00 1.12 0.00 0.00 29.99 31.58 3a0h n HIS 24 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 3a0h h THR 25 N -1.00 0.19 0.00 1.59 1.35 0.11 -1.06 112.91 114.09 3a0h h THR 25 Ca -0.37 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 3a0h h THR 25 Cb 1.31 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 3a0h h THR 25 CO -0.23 0.00 -0.27 -0.07 -0.25 0.00 0.00 175.52 174.71 3a0h h LEU 26 N 0.00 0.00 -2.08 3.87 3.38 -1.69 -3.36 115.31 115.42 3a0h h LEU 26 Ca 0.77 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.83 3a0h h LEU 26 Cb 3.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 43.83 3a0h h LEU 26 CO -0.01 0.62 0.34 0.00 0.09 0.00 0.00 178.44 179.48 3a0h h ALA 27 N -1.03 1.97 0.23 1.53 0.00 -1.04 -1.44 119.26 119.48 3a0h h ALA 27 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3a0h h ALA 27 Cb 0.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3a0h h ALA 27 CO 0.00 -0.50 -0.11 0.28 0.00 0.00 0.00 179.25 178.92 3a0h h VAL 28 N 0.00 0.07 0.43 0.00 2.07 -1.45 -3.29 116.25 114.09 3a0h h VAL 28 Ca 0.14 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 3a0h h VAL 28 Cb 0.82 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3a0h h VAL 28 CO -0.00 0.02 -0.45 -0.65 0.02 0.00 0.00 177.57 176.51 3a0h h PRO 29 N -1.07 -0.87 -0.61 1.57 0.11 -1.65 -1.92 132.00 127.56 3a0h h PRO 29 Ca -0.03 0.06 0.06 0.00 0.11 0.00 0.00 66.00 66.19 3a0h h PRO 29 Cb 0.27 0.20 -0.07 0.00 0.11 0.00 0.00 31.00 31.51 3a0h h PRO 29 CO 0.05 -0.58 -0.36 2.41 -0.21 0.00 0.00 178.00 179.32 3a0h n THR 30 N -5.53 -0.41 0.22 -1.15 -1.04 -0.57 0.30 114.28 106.10 3a0h n THR 30 Ca -0.11 1.47 0.08 0.00 -2.04 0.00 0.00 64.05 63.45 3a0h n THR 30 Cb 0.43 -1.82 0.49 0.00 -1.82 0.00 0.00 70.33 67.60 3a0h n THR 30 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3a0h h ILE 31 N 0.00 0.80 -0.21 12.58 1.08 -1.59 1.01 117.51 131.17 3a0h h ILE 31 Ca 0.10 -1.09 -0.05 0.00 -0.39 0.00 0.00 64.86 63.43 3a0h h ILE 31 Cb 0.25 1.67 -0.01 0.00 -3.07 0.00 0.00 36.82 35.66 3a0h h ILE 31 CO -0.57 0.26 -0.06 0.15 -0.69 0.00 0.00 178.15 177.23 3a0h h PHE 32 N 0.00 0.47 0.32 1.37 3.04 0.53 -2.21 116.94 120.46 3a0h h PHE 32 Ca -0.00 -0.10 -0.02 0.00 3.98 0.00 0.00 57.97 61.83 3a0h h PHE 32 Cb 0.65 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 39.05 3a0h h PHE 32 CO 0.00 0.67 -0.15 0.74 -2.02 0.00 0.00 178.31 177.55 3a0h h PHE 33 N 0.13 -0.40 -1.08 0.41 -1.00 0.32 -1.73 116.94 113.60 3a0h h PHE 33 Ca 0.05 -0.01 0.29 0.00 2.81 0.00 0.00 57.97 61.11 3a0h h PHE 33 Cb 0.53 0.13 -0.09 0.00 3.61 0.00 0.00 35.95 40.13 3a0h h PHE 33 CO 0.05 -0.06 0.71 -0.07 -1.61 0.00 0.00 178.31 177.34 3a0h h LEU 34 N -0.83 0.36 -0.12 1.54 -0.00 0.97 1.06 115.31 118.30 3a0h h LEU 34 Ca -0.04 0.08 -0.24 0.00 -0.00 0.00 0.00 57.88 57.67 3a0h h LEU 34 Cb 0.52 0.02 0.01 0.00 -0.00 0.00 0.00 40.66 41.21 3a0h h LEU 34 CO 0.07 0.05 -0.89 1.23 -0.00 0.00 0.00 178.44 178.90 3a0h h GLY 35 N 0.31 0.76 0.76 0.83 0.00 -1.34 -1.27 103.07 103.12 3a0h h GLY 35 Ca 0.61 -1.20 0.03 0.00 0.00 0.00 0.00 47.33 46.77 3a0h h GLY 35 CO -0.27 1.06 0.05 0.00 0.00 0.00 0.00 176.54 177.38 3a0h h ALA 36 N 0.55 0.23 0.13 3.60 0.00 0.19 -1.80 119.26 122.16 3a0h h ALA 36 Ca -0.08 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3a0h h ALA 36 Cb 1.53 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.37 3a0h h ALA 36 CO 0.18 -0.38 -0.06 0.82 0.00 0.00 0.00 179.25 179.80 3a0h h ILE 37 N 0.14 1.01 -0.40 0.00 2.04 -0.68 -1.87 117.51 117.74 3a0h h ILE 37 Ca 0.10 -0.62 0.11 0.00 1.00 0.00 0.00 64.86 65.46 3a0h h ILE 37 Cb 0.09 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 3a0h h ILE 37 CO -0.13 0.15 0.40 0.00 0.00 0.00 0.00 178.15 178.57 3a0h h ALA 38 N 0.34 2.12 -0.09 1.87 0.00 -1.19 0.24 119.26 122.56 3a0h h ALA 38 Ca -0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3a0h h ALA 38 Cb 0.38 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3a0h h ALA 38 CO 0.03 -0.61 -0.17 0.00 0.00 0.00 0.00 179.25 178.51 3a0h h ALA 39 N 1.57 0.14 -1.00 0.00 0.00 -0.66 -3.26 119.26 116.05 3a0h h ALA 39 Ca 0.19 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.80 3a0h h ALA 39 Cb 0.99 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 3a0h h ALA 39 CO -0.00 0.06 0.65 0.52 0.00 0.00 0.00 179.25 180.47 3a0h h MET 40 N -0.18 1.16 0.00 0.00 2.86 0.24 -3.20 114.93 115.81 3a0h h MET 40 Ca 0.00 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3a0h h MET 40 Cb 0.75 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 32.14 3a0h h MET 40 CO 0.04 0.77 0.30 1.04 1.06 0.00 0.00 176.91 180.12 3a0h n GLN 41 N -4.48 0.00 0.00 1.72 1.13 -0.90 0.10 117.38 114.95 3a0h n GLN 41 Ca 0.15 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 3a0h n GLN 41 Cb 0.16 -1.16 0.00 0.00 0.11 0.00 0.00 30.24 29.35 3a0h n GLN 41 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 3a0h n PHE 42 N -0.61 0.00 -0.57 1.08 3.01 -1.21 -4.95 117.46 114.21 3a0h n PHE 42 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.16 3a0h n PHE 42 Cb 0.30 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.69 3a0h n PHE 42 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 3a0h n ILE 43 N -0.77 0.00 -0.33 4.37 5.41 0.28 -4.87 119.36 123.45 3a0h n ILE 43 Ca 0.00 -0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.63 3a0h n ILE 43 Cb 0.00 -1.44 0.00 0.00 -0.71 0.00 0.00 39.64 37.49 3a0h n ILE 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3a0h n GLN 44 N 6.55 -0.46 -0.34 0.38 10.64 -1.26 -5.14 117.38 127.76 3a0h n GLN 44 Ca 0.31 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.48 3a0h n GLN 44 Cb 0.33 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.71 3a0h n GLN 44 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10