#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n5g h LEU 2 N 0.00 0.00 -1.16 5.67 4.07 -2.02 -0.30 115.31 121.57 1n5g h LEU 2 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 1n5g h LEU 2 Cb 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.74 1n5g h LEU 2 CO 0.00 0.11 -0.10 -0.29 -1.08 0.00 0.00 178.44 177.09 1n5g h ILE 3 N 0.00 0.24 0.11 1.22 6.09 -2.04 -3.05 117.51 120.09 1n5g h ILE 3 Ca -0.00 -0.83 -0.01 0.00 -1.37 0.00 0.00 64.86 62.66 1n5g h ILE 3 Cb 0.25 1.67 0.00 0.00 0.47 0.00 0.00 36.82 39.21 1n5g h ILE 3 CO 0.01 0.10 -0.06 0.00 -3.07 0.00 0.00 178.15 175.14 1n5g h GLU 5 N -0.25 -0.30 0.12 0.00 4.11 -1.22 -1.36 114.58 115.69 1n5g h GLU 5 Ca -0.02 0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.43 1n5g h GLU 5 Cb 0.12 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1n5g h GLU 5 CO 0.03 -0.20 -0.06 1.49 0.07 0.00 0.00 179.01 180.34 1n5g h GLU 6 N -0.31 -0.16 0.64 1.06 4.57 -1.73 -3.05 114.58 115.61 1n5g h GLU 6 Ca 0.06 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.22 1n5g h GLU 6 Cb 0.39 0.04 0.01 0.00 -0.16 0.00 0.00 28.75 29.03 1n5g h GLU 6 CO -0.20 -0.11 -0.31 -1.00 -1.18 0.00 0.00 179.01 176.22 1n5g h PRO 7 N -0.42 -0.83 -0.04 0.92 0.13 -1.68 -3.16 132.00 126.92 1n5g h PRO 7 Ca -0.02 0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 1n5g h PRO 7 Cb 0.13 0.19 -0.00 0.00 0.13 0.00 0.00 31.00 31.45 1n5g h PRO 7 CO 0.03 -0.52 -0.02 1.15 -0.23 0.00 0.00 178.00 178.40 1n5g h THR 8 N -1.16 1.33 -0.68 1.56 2.02 -1.42 -2.72 112.91 111.83 1n5g h THR 8 Ca -0.09 -1.03 -0.04 0.00 0.77 0.00 0.00 66.41 66.03 1n5g h THR 8 Cb 0.69 1.93 -0.03 0.00 -1.74 0.00 0.00 68.15 69.00 1n5g h THR 8 CO 0.15 0.28 0.27 0.00 0.37 0.00 0.00 175.52 176.59 1n5g h ARG 10 N 0.99 0.99 -0.00 0.00 2.43 -1.49 -1.88 114.38 115.42 1n5g h ARG 10 Ca 0.23 -0.09 -0.09 0.00 -0.81 0.00 0.00 59.98 59.22 1n5g h ARG 10 Cb 0.19 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1n5g h ARG 10 CO -0.02 0.70 -0.43 -0.91 -1.51 0.00 0.00 179.97 177.80 1n5g h ASN 11 N 1.00 0.01 -0.18 -3.80 2.35 -1.14 -2.35 115.58 111.47 1n5g h ASN 11 Ca 0.26 -0.00 0.05 0.00 -0.55 0.00 0.00 56.30 56.06 1n5g h ASN 11 Cb -0.04 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1n5g h ASN 11 CO -0.05 0.44 0.15 0.08 -1.65 0.00 0.00 177.43 176.40 1n5g h ARG 12 N 0.01 0.00 -0.35 0.81 0.11 -0.61 -1.29 114.38 113.06 1n5g h ARG 12 Ca -0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 1n5g h ARG 12 Cb 0.77 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.83 1n5g h ARG 12 CO 0.06 0.00 0.09 1.15 0.10 0.00 0.00 179.97 181.37 1n5g h THR 13 N 0.00 1.16 -0.62 0.08 2.02 -0.78 0.08 112.91 114.86 1n5g h THR 13 Ca 0.09 -0.55 0.12 0.00 0.77 0.00 0.00 66.41 66.84 1n5g h THR 13 Cb 0.38 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 1n5g h THR 13 CO -0.00 0.20 0.42 0.03 0.37 0.00 0.00 175.52 176.54 1n5g h ARG 14 N 0.50 0.30 -0.18 6.66 -0.00 -1.22 -2.29 114.38 118.15 1n5g h ARG 14 Ca 0.12 -0.02 0.04 0.00 -0.50 0.00 0.00 59.98 59.62 1n5g h ARG 14 Cb 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 29.97 30.07 1n5g h ARG 14 CO -0.01 0.20 0.13 0.45 0.00 0.00 0.00 179.97 180.74 1n5g h HIS 15 N 0.31 0.07 -0.04 3.04 3.86 -0.36 -3.35 115.15 118.67 1n5g h HIS 15 Ca 0.29 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.39 1n5g h HIS 15 Cb 0.73 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.16 1n5g h HIS 15 CO -0.00 0.04 -0.52 1.25 0.86 0.00 0.00 177.93 179.56 1n5g h LEU 16 N 0.07 0.11 -1.74 2.43 6.46 -1.18 0.38 115.31 121.84 1n5g h LEU 16 Ca 0.08 -0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 1n5g h LEU 16 Cb 0.25 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 1n5g h LEU 16 CO -0.01 0.61 0.08 -0.65 -0.62 0.00 0.00 178.44 177.85 1n5g h PRO 17 N 0.08 0.25 0.03 5.25 0.11 -1.70 -3.31 132.00 132.71 1n5g h PRO 17 Ca -0.00 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.01 1n5g h PRO 17 Cb 0.95 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 1n5g h PRO 17 CO 0.07 0.20 -0.38 1.37 -0.21 0.00 0.00 178.00 179.06 1n5g h LEU 18 N 0.25 0.11 0.00 2.35 8.10 -1.55 -3.50 115.31 121.07 1n5g h LEU 18 Ca 0.07 -0.92 0.00 0.00 0.11 0.00 0.00 57.88 57.13 1n5g h LEU 18 Cb 0.05 -0.03 0.00 0.00 -0.44 0.00 0.00 40.66 40.23 1n5g h LEU 18 CO -0.01 1.17 0.00 1.67 -4.11 0.00 0.00 178.44 177.16 1n5g n GLN 19 N -4.46 -0.10 0.06 0.17 7.27 0.04 -4.94 117.38 115.43 1n5g n GLN 19 Ca -0.14 0.02 -0.05 0.00 0.07 0.00 0.00 57.00 56.90 1n5g n GLN 19 Cb 0.59 -2.97 -0.10 0.00 2.41 0.00 0.00 30.24 30.17 1n5g n GLN 19 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1n5g h PHE 20 N 0.00 0.00 -1.65 3.69 -5.15 -1.95 -3.33 116.94 108.56 1n5g h PHE 20 Ca 0.00 0.00 -0.75 0.00 -0.20 0.00 0.00 57.97 57.02 1n5g h PHE 20 Cb 0.05 0.00 -0.20 0.00 0.22 0.00 0.00 35.95 36.02 1n5g h PHE 20 CO 0.03 0.89 1.57 0.45 -2.00 0.00 0.00 178.31 179.25 1n5g n SER 21 N -3.25 7.59 0.11 -0.68 2.88 -1.26 -4.66 113.62 114.35 1n5g n SER 21 Ca -0.03 -3.42 0.12 0.00 -1.33 0.00 0.00 58.87 54.21 1n5g n SER 21 Cb 0.92 -1.25 0.08 0.00 -0.75 0.00 0.00 64.21 63.20 1n5g n SER 21 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 1n5g h ARG 22 N 4.16 0.00 0.00 -1.46 -0.00 -1.93 -3.20 114.38 111.95 1n5g h ARG 22 Ca 0.60 0.00 -0.22 0.00 -0.00 0.00 0.00 59.98 60.36 1n5g h ARG 22 Cb 0.33 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.26 1n5g h ARG 22 CO 1.30 0.00 -1.24 0.25 -0.00 0.00 0.00 179.97 180.27 1n5g n THR 23 N -2.62 1.52 -3.18 0.08 -2.24 -1.26 -5.10 114.28 101.48 1n5g n THR 23 Ca 0.02 -0.02 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1n5g n THR 23 Cb 0.52 -2.07 0.00 0.00 -2.10 0.00 0.00 70.33 66.68 1n5g n THR 23 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n5g n GLY 24 N 1.44 -1.19 3.58 3.38 0.00 -1.21 -4.82 105.19 106.38 1n5g n GLY 24 Ca -0.31 0.68 -0.28 0.00 0.00 0.00 0.00 46.02 46.11 1n5g n GLY 24 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1n5g s PRO 25 N -3.26 2.50 0.00 1.61 0.02 -1.26 -4.15 135.00 130.46 1n5g s PRO 25 Ca 0.07 -1.09 0.00 0.00 0.02 0.00 0.00 61.00 60.00 1n5g s PRO 25 Cb -0.01 -5.23 0.00 0.00 0.02 0.00 0.00 34.50 29.28 1n5g s PRO 25 CO 0.79 -3.93 0.00 1.28 -0.33 0.00 0.00 177.00 174.81 1n5g n LEU 26 N 14.36 0.00 -3.92 -5.54 4.32 -1.26 -5.12 117.00 119.83 1n5g n LEU 26 Ca 0.44 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 56.33 1n5g n LEU 26 Cb 0.47 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 42.15 1n5g n LEU 26 CO 0.67 -0.01 -0.33 0.00 -1.22 0.00 0.00 177.39 176.50 1n5g s PRO 28 N -0.85 3.23 -1.33 0.00 0.04 -1.26 -4.38 135.00 130.45 1n5g s PRO 28 Ca -0.09 1.36 -0.00 0.00 0.04 0.00 0.00 61.00 62.30 1n5g s PRO 28 Cb -0.06 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 30.26 1n5g s PRO 28 CO -0.00 -1.99 0.67 0.00 0.04 0.00 0.00 177.00 175.72 1n5g n ALA 29 N 10.70 -1.99 0.11 8.56 0.00 -1.26 -4.96 120.51 131.67 1n5g n ALA 29 Ca 0.23 -0.17 0.03 0.00 0.00 0.00 0.00 53.44 53.53 1n5g n ALA 29 Cb 0.47 -1.96 0.05 0.00 0.00 0.00 0.00 19.45 18.01 1n5g n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n5g h MET 31 N 1.08 0.46 0.00 0.00 4.05 -1.92 -3.33 114.93 115.27 1n5g h MET 31 Ca 0.00 -0.37 -0.00 0.00 -0.28 0.00 0.00 59.70 59.05 1n5g h MET 31 Cb 0.39 0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.26 1n5g h MET 31 CO 0.00 1.00 -0.01 1.57 0.23 0.00 0.00 176.91 179.70 1n5g h LYS 32 N 0.02 0.00 -0.08 0.39 2.10 -1.99 -3.16 116.57 113.85 1n5g h LYS 32 Ca -0.03 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.52 1n5g h LYS 32 Cb 1.08 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.39 1n5g h LYS 32 CO 0.09 0.01 -0.43 0.00 -2.00 0.00 0.00 179.45 177.12 1n5g h ALA 33 N 1.99 1.13 -0.69 0.07 0.00 -1.79 -1.01 119.26 118.96 1n5g h ALA 33 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1n5g h ALA 33 Cb 0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1n5g h ALA 33 CO 0.00 0.59 0.44 1.15 0.00 0.00 0.00 179.25 181.43 1n5g h THR 34 N 0.16 1.18 0.00 0.00 2.02 -1.65 -2.70 112.91 111.93 1n5g h THR 34 Ca 0.01 -0.37 -0.09 0.00 0.77 0.00 0.00 66.41 66.74 1n5g h THR 34 Cb 0.82 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1n5g h THR 34 CO 0.06 0.18 -0.42 -0.07 0.37 0.00 0.00 175.52 175.65 1n5g h LEU 35 N 0.94 0.00 -0.16 2.58 4.07 -1.32 -1.39 115.31 120.02 1n5g h LEU 35 Ca 0.25 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.26 1n5g h LEU 35 Cb -0.08 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.60 1n5g h LEU 35 CO -0.05 0.42 -0.26 1.56 -1.08 0.00 0.00 178.44 179.03 1n5g h GLN 36 N 0.00 -0.30 0.24 1.13 4.20 -1.24 -3.17 115.11 115.96 1n5g h GLN 36 Ca -0.00 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1n5g h GLN 36 Cb 0.79 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.64 1n5g h GLN 36 CO 0.05 -0.20 -0.11 -1.35 -0.67 0.00 0.00 178.83 176.55 1n5g h PRO 37 N -0.31 -0.31 0.00 1.46 0.11 -1.64 -3.52 132.00 127.79 1n5g h PRO 37 Ca 0.11 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1n5g h PRO 37 Cb 0.48 0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1n5g h PRO 37 CO -0.34 -0.04 0.00 -1.91 -0.21 0.00 0.00 178.00 175.50