#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 0.64 -0.21 5.67 4.07 -2.03 -0.27 115.31 123.18 1n5g h LEU 2 Ca 0.00 0.10 -0.22 0.00 0.08 0.00 0.00 57.88 57.84 1n5g h LEU 2 Cb 0.00 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.73 1n5g h LEU 2 CO 0.00 0.24 -0.90 -0.29 -1.08 0.00 0.00 178.44 176.41 1n5g h ILE 3 N 0.68 1.40 0.08 1.22 6.09 -2.07 -3.44 117.51 121.48 1n5g h ILE 3 Ca 0.52 -2.41 -0.00 0.00 -1.37 0.00 0.00 64.86 61.60 1n5g h ILE 3 Cb 0.78 2.37 0.00 0.00 0.47 0.00 0.00 36.82 40.44 1n5g h ILE 3 CO -0.38 0.72 -0.04 0.00 -3.07 0.00 0.00 178.15 175.38 1n5g n GLU 5 N -2.33 0.00 -0.33 0.00 0.28 -0.70 -3.08 120.64 114.47 1n5g n GLU 5 Ca -0.01 0.04 0.05 0.00 -0.16 0.00 0.00 57.16 57.08 1n5g n GLU 5 Cb 0.04 -0.07 0.21 0.00 1.43 0.00 0.00 31.44 33.04 1n5g n GLU 5 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1n5g h GLU 6 N 0.00 0.88 0.20 3.44 4.57 -1.89 -3.04 114.58 118.74 1n5g h GLU 6 Ca 0.00 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1n5g h GLU 6 Cb 0.00 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.39 1n5g h GLU 6 CO 0.00 0.58 -0.10 -1.00 -1.18 0.00 0.00 179.01 177.32 1n5g h PRO 7 N 0.91 -0.26 -0.15 0.92 0.13 -1.83 -3.41 132.00 128.30 1n5g h PRO 7 Ca 0.45 0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.52 1n5g h PRO 7 Cb 0.42 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.61 1n5g h PRO 7 CO -0.26 -0.18 -0.22 1.15 -0.23 0.00 0.00 178.00 178.27 1n5g h THR 8 N -0.78 1.35 -0.16 1.56 2.02 -1.61 -3.37 112.91 111.93 1n5g h THR 8 Ca -0.03 -1.43 -0.18 0.00 0.77 0.00 0.00 66.41 65.54 1n5g h THR 8 Cb 0.21 1.92 -0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1n5g h THR 8 CO 0.05 0.42 -0.65 0.00 0.37 0.00 0.00 175.52 175.71 1n5g h ARG 10 N 0.42 0.70 -0.15 0.00 2.43 -1.75 -0.21 114.38 115.82 1n5g h ARG 10 Ca -0.01 -0.20 -0.13 0.00 -0.81 0.00 0.00 59.98 58.83 1n5g h ARG 10 Cb 1.22 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 1n5g h ARG 10 CO 0.12 0.75 -0.48 -0.91 -1.51 0.00 0.00 179.97 177.94 1n5g h ASN 11 N 0.65 0.42 0.03 -3.80 2.35 -1.72 -2.60 115.58 110.92 1n5g h ASN 11 Ca 0.13 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1n5g h ASN 11 Cb 0.47 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 1n5g h ASN 11 CO 0.02 0.84 -0.04 0.08 -1.65 0.00 0.00 177.43 176.69 1n5g h ARG 12 N 0.31 0.03 -0.69 0.81 0.11 -1.29 -3.18 114.38 110.48 1n5g h ARG 12 Ca 0.02 -0.00 0.14 0.00 0.10 0.00 0.00 59.98 60.23 1n5g h ARG 12 Cb 0.96 -0.01 -0.10 0.00 1.11 0.00 0.00 29.97 31.94 1n5g h ARG 12 CO 0.08 0.07 0.18 1.15 0.10 0.00 0.00 179.97 181.55 1n5g h THR 13 N 0.03 0.59 -0.83 0.08 2.02 -0.61 -0.95 112.91 113.23 1n5g h THR 13 Ca 0.01 -0.10 0.22 0.00 0.77 0.00 0.00 66.41 67.30 1n5g h THR 13 Cb 0.08 0.26 -0.05 0.00 -1.74 0.00 0.00 68.15 66.71 1n5g h THR 13 CO 0.01 0.06 0.58 0.03 0.37 0.00 0.00 175.52 176.56 1n5g h ARG 14 N 0.30 0.16 -0.40 6.66 -0.00 -1.65 0.63 114.38 120.08 1n5g h ARG 14 Ca 0.38 -0.01 0.12 0.00 -0.50 0.00 0.00 59.98 59.96 1n5g h ARG 14 Cb 0.60 -0.04 -0.02 0.00 0.00 0.00 0.00 29.97 30.52 1n5g h ARG 14 CO -0.45 0.10 0.29 0.45 0.00 0.00 0.00 179.97 180.37 1n5g h HIS 15 N 0.16 0.00 -0.33 3.04 3.86 -1.34 -3.40 115.15 117.14 1n5g h HIS 15 Ca 0.41 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.69 1n5g h HIS 15 Cb 1.37 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.76 1n5g h HIS 15 CO -0.00 0.00 -0.20 1.25 0.86 0.00 0.00 177.93 179.84 1n5g h LEU 16 N 0.00 -0.66 -1.39 2.43 6.46 0.23 -0.06 115.31 122.32 1n5g h LEU 16 Ca 0.19 0.14 0.42 0.00 -0.12 0.00 0.00 57.88 58.51 1n5g h LEU 16 Cb 0.77 0.34 -0.13 0.00 -0.73 0.00 0.00 40.66 40.92 1n5g h LEU 16 CO -0.00 -0.23 0.83 -0.65 -0.62 0.00 0.00 178.44 177.76 1n5g h PRO 17 N -0.16 0.11 0.01 5.25 0.11 -1.78 -3.24 132.00 132.29 1n5g h PRO 17 Ca 0.17 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 1n5g h PRO 17 Cb 0.42 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.50 1n5g h PRO 17 CO -0.43 0.07 -0.00 1.37 -0.21 0.00 0.00 178.00 178.80 1n5g h LEU 18 N 0.11 -0.01 -2.54 2.35 8.10 -1.28 -3.49 115.31 118.54 1n5g h LEU 18 Ca 0.80 -0.70 -0.11 0.00 0.11 0.00 0.00 57.88 57.99 1n5g h LEU 18 Cb 2.47 0.00 0.08 0.00 -0.44 0.00 0.00 40.66 42.77 1n5g h LEU 18 CO -0.42 0.70 -0.33 1.67 -4.11 0.00 0.00 178.44 175.96 1n5g n GLN 19 N -4.75 -1.34 0.00 0.17 7.27 -1.08 -5.02 117.38 112.64 1n5g n GLN 19 Ca -0.09 0.34 0.00 0.00 0.07 0.00 0.00 57.00 57.32 1n5g n GLN 19 Cb 0.35 -3.36 0.00 0.00 2.41 0.00 0.00 30.24 29.63 1n5g n GLN 19 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 1n5g n PHE 20 N -2.19 0.00 -3.18 3.69 1.16 -1.26 -4.87 117.46 110.81 1n5g n PHE 20 Ca -0.05 0.00 -0.27 0.00 -1.87 0.00 0.00 57.45 55.26 1n5g n PHE 20 Cb 0.55 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.36 1n5g n PHE 20 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1n5g n SER 21 N -1.72 4.07 0.04 5.98 2.88 -1.26 -4.81 113.62 118.80 1n5g n SER 21 Ca 0.00 -3.56 -0.13 0.00 -1.33 0.00 0.00 58.87 53.86 1n5g n SER 21 Cb 0.31 -0.62 -0.09 0.00 -0.75 0.00 0.00 64.21 63.06 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 3.57 -0.13 -0.41 -1.46 -0.00 -1.93 -3.27 114.38 110.75 1n5g h ARG 22 Ca 0.16 0.01 0.00 0.00 -0.00 0.00 0.00 59.98 60.15 1n5g h ARG 22 Cb 0.59 0.03 0.00 0.00 -0.00 0.00 0.00 29.97 30.59 1n5g h ARG 22 CO 0.82 0.26 0.00 0.25 -0.00 0.00 0.00 179.97 181.30 1n5g n THR 23 N -4.96 0.55 -1.77 0.08 -2.24 -1.26 -4.88 114.28 99.79 1n5g n THR 23 Ca -0.09 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 1n5g n THR 23 Cb 0.23 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 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 1.48 0.00 0.15 3.38 0.00 -1.24 -3.54 105.19 105.43 1n5g n GLY 24 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1n5g n GLY 24 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1n5g n PRO 25 N 1.56 0.01 -0.09 1.61 -0.02 -1.26 -2.81 135.00 134.00 1n5g n PRO 25 Ca 0.00 0.44 -0.23 0.00 -2.02 0.00 0.00 63.50 61.70 1n5g n PRO 25 Cb 0.08 -1.23 -0.12 0.00 -0.02 0.00 0.00 33.50 32.21 1n5g n PRO 25 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1n5g n LEU 26 N -1.43 2.38 -4.04 2.45 4.32 -1.26 -4.87 117.00 114.54 1n5g n LEU 26 Ca 0.00 0.20 -0.31 0.00 -0.02 0.00 0.00 56.01 55.88 1n5g n LEU 26 Cb 0.48 -0.95 -0.15 0.00 -1.62 0.00 0.00 43.42 41.17 1n5g n LEU 26 CO 0.00 0.67 -0.39 0.00 -1.22 0.00 0.00 177.39 176.46 1n5g s PRO 28 N 0.99 3.14 -0.15 0.00 0.02 -1.26 -3.87 135.00 133.86 1n5g s PRO 28 Ca 0.02 -0.63 -0.01 0.00 0.02 0.00 0.00 61.00 60.41 1n5g s PRO 28 Cb -0.19 -4.21 -0.01 0.00 0.02 0.00 0.00 34.50 30.10 1n5g s PRO 28 CO -0.07 -1.93 0.13 0.00 -0.33 0.00 0.00 177.00 174.80 1n5g n ALA 29 N 8.29 -0.75 -0.03 -1.55 0.00 -1.23 -5.05 120.51 120.19 1n5g n ALA 29 Ca -0.01 0.02 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1n5g n ALA 29 Cb 0.47 -1.23 -0.06 0.00 0.00 0.00 0.00 19.45 18.62 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 0.00 0.00 0.03 0.00 4.05 -1.89 -3.31 114.93 113.80 1n5g h MET 31 Ca -0.17 0.00 -0.33 0.00 -0.28 0.00 0.00 59.70 58.92 1n5g h MET 31 Cb 1.25 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 32.00 1n5g h MET 31 CO 0.01 0.00 -1.97 0.36 0.23 0.00 0.00 176.91 175.54 1n5g n LYS 32 N -2.36 0.67 -0.12 0.39 2.85 -1.26 -3.71 118.16 114.62 1n5g n LYS 32 Ca -0.01 0.22 0.10 0.00 -1.05 0.00 0.00 58.31 57.56 1n5g n LYS 32 Cb 0.35 -1.70 0.44 0.00 -0.65 0.00 0.00 35.03 33.47 1n5g n LYS 32 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1n5g h ALA 33 N 0.73 1.89 -0.99 0.58 0.00 -1.92 -3.32 119.26 116.23 1n5g h ALA 33 Ca -0.39 -0.01 0.23 0.00 0.00 0.00 0.00 54.91 54.74 1n5g h ALA 33 Cb 2.06 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 19.64 1n5g h ALA 33 CO 0.06 -0.02 0.64 1.15 0.00 0.00 0.00 179.25 181.08 1n5g h THR 34 N 0.55 0.61 0.25 0.00 2.02 -1.71 -2.87 112.91 111.77 1n5g h THR 34 Ca 0.29 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 1n5g h THR 34 Cb 0.43 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1n5g h THR 34 CO -0.09 0.08 -0.12 -0.07 0.37 0.00 0.00 175.52 175.69 1n5g h LEU 35 N 0.47 -0.28 0.27 2.58 4.07 -1.78 -2.42 115.31 118.22 1n5g h LEU 35 Ca 0.55 -0.18 -0.00 0.00 0.08 0.00 0.00 57.88 58.32 1n5g h LEU 35 Cb 1.28 0.07 -0.01 0.00 1.08 0.00 0.00 40.66 43.08 1n5g h LEU 35 CO -0.27 0.04 -0.21 1.56 -1.08 0.00 0.00 178.44 178.48 1n5g h GLN 36 N -0.62 -0.47 -0.77 1.13 4.20 -1.71 -3.15 115.11 113.71 1n5g h GLN 36 Ca -0.03 0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.77 1n5g h GLN 36 Cb 0.45 0.11 -0.05 0.00 0.30 0.00 0.00 27.48 28.29 1n5g h GLN 36 CO 0.06 -0.32 0.51 -1.35 -0.67 0.00 0.00 178.83 177.06 1n5g h PRO 37 N -0.49 0.81 0.00 1.46 0.11 -1.71 -3.54 132.00 128.64 1n5g h PRO 37 Ca -0.02 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1n5g h PRO 37 Cb 0.43 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.36 1n5g h PRO 37 CO -0.01 0.54 0.00 -0.85 -0.21 0.00 0.00 178.00 177.47