#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5l n PRO 13 N 0.00 1.08 -4.00 -0.72 -0.04 -1.26 -5.12 135.00 124.95 1s5l n PRO 13 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 1s5l n PRO 13 Cb 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.38 1s5l n PRO 13 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1s5l s ILE 14 N 0.48 4.99 -0.01 0.52 -4.36 -1.26 -5.03 121.20 116.54 1s5l s ILE 14 Ca 0.00 0.03 -0.05 0.00 -0.26 0.00 0.00 60.65 60.36 1s5l s ILE 14 Cb 0.00 -3.21 0.00 0.00 1.25 0.00 0.00 42.46 40.51 1s5l s ILE 14 CO 0.00 0.53 0.11 0.12 0.24 0.00 0.00 174.94 175.94 1s5l s PHE 15 N -0.28 0.01 0.04 1.37 5.36 -1.26 -4.99 117.98 118.24 1s5l s PHE 15 Ca 0.09 -0.03 -0.08 0.00 -0.96 0.00 0.00 56.93 55.95 1s5l s PHE 15 Cb -0.12 -0.04 -0.02 0.00 -0.34 0.00 0.00 43.02 42.51 1s5l s PHE 15 CO 0.01 -0.20 0.74 2.41 -1.46 0.00 0.00 175.22 176.73 1s5l n THR 16 N 1.99 -0.17 0.00 0.12 -1.04 -1.26 0.52 114.28 114.44 1s5l n THR 16 Ca -0.19 1.14 0.00 0.00 -2.04 0.00 0.00 64.05 62.96 1s5l n THR 16 Cb 0.57 -1.46 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 1s5l n THR 16 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1s5l n VAL 17 N -3.51 0.00 0.00 12.58 0.31 -1.26 -0.44 118.33 126.02 1s5l n VAL 17 Ca 0.01 0.68 0.00 0.00 -0.01 0.00 0.00 64.34 65.01 1s5l n VAL 17 Cb 0.07 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 1s5l n VAL 17 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1s5l n ARG 18 N -0.26 0.00 0.00 5.55 3.00 -1.14 -2.44 116.66 121.37 1s5l n ARG 18 Ca 0.00 0.79 0.00 0.00 -0.00 0.00 0.00 57.85 58.64 1s5l n ARG 18 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 32.46 31.23 1s5l n ARG 18 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.63 179.50 1s5l n TRP 19 N -2.47 0.00 0.21 -0.14 -0.00 0.18 -2.76 117.44 112.47 1s5l n TRP 19 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.50 57.34 1s5l n TRP 19 Cb 0.00 -0.30 -0.08 0.00 -0.00 0.00 0.00 31.31 30.93 1s5l n TRP 19 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1s5l h VAL 20 N 0.00 0.19 -0.48 5.87 2.07 -0.80 -2.80 116.25 120.30 1s5l h VAL 20 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1s5l h VAL 20 Cb 0.00 0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 29.90 1s5l h VAL 20 CO 0.00 0.00 -0.28 0.00 0.02 0.00 0.00 177.57 177.31 1s5l n ALA 21 N -2.73 -0.31 -0.12 1.67 0.00 -1.02 -0.37 120.51 117.62 1s5l n ALA 21 Ca -0.09 0.41 -0.05 0.00 0.00 0.00 0.00 53.44 53.70 1s5l n ALA 21 Cb 0.39 0.16 0.01 0.00 0.00 0.00 0.00 19.45 20.01 1s5l n ALA 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1s5l h VAL 22 N 0.00 0.48 0.00 0.00 2.07 -1.42 -2.54 116.25 114.84 1s5l h VAL 22 Ca 0.08 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.53 1s5l h VAL 22 Cb 0.20 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1s5l h VAL 22 CO -0.45 0.00 -0.33 0.45 0.02 0.00 0.00 177.57 177.26 1s5l h HIS 23 N -0.08 0.00 -0.56 1.57 -0.00 -1.04 0.48 115.15 115.53 1s5l h HIS 23 Ca 0.20 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.53 1s5l h HIS 23 Cb 0.38 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.77 1s5l h HIS 23 CO -0.41 0.33 0.20 1.15 -0.00 0.00 0.00 177.93 179.20 1s5l h THR 24 N 0.00 1.23 0.00 2.45 2.02 -0.30 -0.89 112.91 117.41 1s5l h THR 24 Ca -0.00 -0.74 -0.09 0.00 0.77 0.00 0.00 66.41 66.35 1s5l h THR 24 Cb 1.09 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1s5l h THR 24 CO 0.04 0.28 -0.64 -0.07 0.37 0.00 0.00 175.52 175.50 1s5l h LEU 25 N 0.77 0.00 -1.98 2.58 3.38 -1.41 -3.40 115.31 115.25 1s5l h LEU 25 Ca 0.18 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1s5l h LEU 25 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1s5l h LEU 25 CO -0.01 1.03 -0.10 0.00 0.09 0.00 0.00 178.44 179.45 1s5l h ALA 26 N -0.65 1.48 0.18 1.53 0.00 -0.10 -3.26 119.26 118.44 1s5l h ALA 26 Ca -0.13 -0.09 -0.25 0.00 0.00 0.00 0.00 54.91 54.44 1s5l h ALA 26 Cb 0.81 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.61 1s5l h ALA 26 CO -0.08 0.13 -1.07 0.28 0.00 0.00 0.00 179.25 178.51 1s5l h VAL 27 N 0.00 1.42 -0.41 0.00 2.07 -1.32 -3.35 116.25 114.66 1s5l h VAL 27 Ca -0.00 -2.58 0.04 0.00 0.82 0.00 0.00 66.70 64.98 1s5l h VAL 27 Cb 0.24 3.11 -0.04 0.00 -1.52 0.00 0.00 31.29 33.08 1s5l h VAL 27 CO 0.01 0.75 0.17 -0.65 0.02 0.00 0.00 177.57 177.87 1s5l h PRO 28 N -0.15 0.34 -0.93 1.57 0.11 -1.74 -2.97 132.00 128.23 1s5l h PRO 28 Ca -0.18 -0.02 0.18 0.00 0.11 0.00 0.00 66.00 66.08 1s5l h PRO 28 Cb 1.84 -0.08 -0.17 0.00 0.11 0.00 0.00 31.00 32.70 1s5l h PRO 28 CO 0.20 0.22 -0.26 1.15 -0.21 0.00 0.00 178.00 179.10 1s5l h THR 29 N 0.35 0.06 0.00 -1.15 2.02 -1.68 0.41 112.91 112.91 1s5l h THR 29 Ca 0.19 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.37 1s5l h THR 29 Cb 0.15 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1s5l h THR 29 CO -0.17 0.00 0.00 0.40 0.37 0.00 0.00 175.52 176.12 1s5l h ILE 30 N -0.01 0.00 -0.03 3.11 2.04 -1.66 0.48 117.51 121.43 1s5l h ILE 30 Ca 0.42 -0.43 -0.20 0.00 1.00 0.00 0.00 64.86 65.65 1s5l h ILE 30 Cb 0.66 1.32 0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1s5l h ILE 30 CO -0.95 0.00 -0.74 0.15 0.00 0.00 0.00 178.15 176.60 1s5l h PHE 31 N 0.00 0.82 0.21 1.37 -0.00 -0.24 -1.65 116.94 117.45 1s5l h PHE 31 Ca 0.00 -0.42 -0.01 0.00 -0.00 0.00 0.00 57.97 57.54 1s5l h PHE 31 Cb 0.54 -0.10 0.00 0.00 -0.00 0.00 0.00 35.95 36.39 1s5l h PHE 31 CO 0.00 1.24 -0.10 0.74 -0.00 0.00 0.00 178.31 180.19 1s5l h PHE 32 N 0.16 -0.26 -0.95 0.41 -1.00 -0.67 0.11 116.94 114.74 1s5l h PHE 32 Ca -0.08 -0.01 0.28 0.00 2.81 0.00 0.00 57.97 60.97 1s5l h PHE 32 Cb 1.42 0.09 -0.04 0.00 3.61 0.00 0.00 35.95 41.03 1s5l h PHE 32 CO 0.12 0.13 0.72 -0.07 -1.61 0.00 0.00 178.31 177.61 1s5l h LEU 33 N -0.83 0.00 0.04 1.54 3.38 -0.16 1.16 115.31 120.44 1s5l h LEU 33 Ca -0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1s5l h LEU 33 Cb 0.51 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.28 1s5l h LEU 33 CO 0.05 0.00 -0.46 1.23 0.09 0.00 0.00 178.44 179.35 1s5l h GLY 34 N 0.00 0.28 0.94 0.83 0.00 -1.04 -1.64 103.07 102.43 1s5l h GLY 34 Ca 0.45 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 1s5l h GLY 34 CO -0.00 0.49 0.05 0.00 0.00 0.00 0.00 176.54 177.08 1s5l h ALA 35 N 0.20 0.12 -0.64 3.60 0.00 0.25 -2.52 119.26 120.26 1s5l h ALA 35 Ca -0.07 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1s5l h ALA 35 Cb 1.25 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1s5l h ALA 35 CO 0.09 -0.35 0.41 0.82 0.00 0.00 0.00 179.25 180.22 1s5l h ILE 36 N 0.06 1.12 -0.31 0.00 2.04 0.10 -0.41 117.51 120.11 1s5l h ILE 36 Ca 0.03 -0.28 0.09 0.00 1.00 0.00 0.00 64.86 65.70 1s5l h ILE 36 Cb 0.07 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1s5l h ILE 36 CO -0.01 0.15 0.22 0.00 0.00 0.00 0.00 178.15 178.52 1s5l h ALA 37 N 1.26 2.29 -0.01 1.87 0.00 -1.12 0.12 119.26 123.66 1s5l h ALA 37 Ca 0.25 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.93 1s5l h ALA 37 Cb -0.04 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1s5l h ALA 37 CO -0.08 -0.38 -0.91 0.00 0.00 0.00 0.00 179.25 177.88 1s5l h ALA 38 N 1.84 0.41 0.64 0.00 0.00 -0.67 -3.33 119.26 118.15 1s5l h ALA 38 Ca 0.15 -0.70 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1s5l h ALA 38 Cb 0.60 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1s5l h ALA 38 CO -0.00 0.82 -0.43 0.52 0.00 0.00 0.00 179.25 180.16 1s5l h MET 39 N 0.22 -0.98 0.00 0.00 2.07 0.15 -3.03 114.93 113.36 1s5l h MET 39 Ca -0.07 0.07 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 1s5l h MET 39 Cb 1.54 0.22 0.00 0.00 -1.87 0.00 0.00 31.60 31.49 1s5l h MET 39 CO 0.15 -0.65 0.72 1.04 1.07 0.00 0.00 176.91 179.24 1s5l n GLN 40 N -5.55 0.01 -0.00 1.72 6.02 -1.06 0.85 117.38 119.36 1s5l n GLN 40 Ca -0.13 0.45 0.07 0.00 -0.01 0.00 0.00 57.00 57.38 1s5l n GLN 40 Cb 0.44 -2.19 -0.09 0.00 1.02 0.00 0.00 30.24 29.42 1s5l n GLN 40 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1s5l n PHE 41 N -1.68 0.00 -1.42 1.08 0.99 -1.15 -5.02 117.46 110.27 1s5l n PHE 41 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.45 57.10 1s5l n PHE 41 Cb 0.72 -0.03 0.10 0.00 -1.00 0.00 0.00 39.48 39.26 1s5l n PHE 41 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.76 178.27 1s5l n ILE 42 N -1.42 3.52 -4.13 4.37 3.06 0.25 -5.02 119.36 119.98 1s5l n ILE 42 Ca 0.02 -0.35 -0.24 0.00 -2.50 0.00 0.00 62.75 59.68 1s5l n ILE 42 Cb 0.25 -1.35 -0.05 0.00 0.54 0.00 0.00 39.64 39.03 1s5l n ILE 42 CO 0.00 0.00 0.00 -1.58 -2.50 0.00 0.00 176.55 172.47 1s5l s GLN 43 N -3.75 2.80 0.00 9.51 0.74 -1.26 -5.11 119.66 122.58 1s5l s GLN 43 Ca 0.78 -1.03 0.00 0.00 0.05 0.00 0.00 55.36 55.16 1s5l s GLN 43 Cb -0.34 -2.53 0.00 0.00 1.10 0.00 0.00 33.01 31.25 1s5l s GLN 43 CO 0.45 0.43 0.00 0.54 -0.55 0.00 0.00 175.29 176.17