#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5l h GLU 2 N 0.00 0.11 0.00 3.17 4.81 -2.06 -3.08 114.58 117.52 1s5l h GLU 2 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1s5l h GLU 2 Cb 0.00 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1s5l h GLU 2 CO 0.00 0.07 0.00 2.41 -0.73 0.00 0.00 179.01 180.76 1s5l n THR 3 N -4.51 0.00 -0.30 0.32 -1.04 -1.26 -3.55 114.28 103.95 1s5l n THR 3 Ca 0.00 0.49 0.23 0.00 -2.04 0.00 0.00 64.05 62.73 1s5l n THR 3 Cb 0.16 -0.99 0.37 0.00 -1.82 0.00 0.00 70.33 68.04 1s5l n THR 3 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1s5l n ILE 4 N -0.46 -0.04 0.17 12.58 -5.35 -1.22 0.36 119.36 125.39 1s5l n ILE 4 Ca 0.00 0.76 0.04 0.00 -0.27 0.00 0.00 62.75 63.28 1s5l n ILE 4 Cb 0.00 -1.26 0.25 0.00 -1.74 0.00 0.00 39.64 36.89 1s5l n ILE 4 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1s5l h THR 5 N 0.00 0.99 0.00 7.28 2.02 -1.63 1.02 112.91 122.59 1s5l h THR 5 Ca 0.44 -1.78 -0.02 0.00 0.77 0.00 0.00 66.41 65.82 1s5l h THR 5 Cb 1.64 2.06 -0.00 0.00 -1.74 0.00 0.00 68.15 70.11 1s5l h THR 5 CO -0.08 0.44 -0.45 1.88 0.37 0.00 0.00 175.52 177.68 1s5l h TYR 6 N 0.00 0.00 0.09 3.16 0.99 0.64 -3.07 116.97 118.77 1s5l h TYR 6 Ca -0.00 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.52 1s5l h TYR 6 Cb 1.03 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.76 1s5l h TYR 6 CO 0.00 0.08 -1.05 0.28 -0.00 0.00 0.00 178.16 177.46 1s5l h VAL 7 N 0.00 1.24 0.05 -2.88 2.07 -1.03 -3.18 116.25 112.51 1s5l h VAL 7 Ca -0.01 -2.40 0.03 0.00 0.82 0.00 0.00 66.70 65.14 1s5l h VAL 7 Cb 1.06 2.86 -0.05 0.00 -1.52 0.00 0.00 31.29 33.65 1s5l h VAL 7 CO 0.01 0.64 -0.39 0.15 0.02 0.00 0.00 177.57 178.00 1s5l h PHE 8 N -0.51 -1.11 0.00 1.57 3.57 0.98 0.45 116.94 121.89 1s5l h PHE 8 Ca -0.23 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.30 1s5l h PHE 8 Cb 1.57 0.48 0.00 0.00 2.79 0.00 0.00 35.95 40.79 1s5l h PHE 8 CO 0.16 -0.48 0.00 -0.89 -2.23 0.00 0.00 178.31 174.87 1s5l n ILE 9 N -5.45 1.20 -0.08 1.41 5.41 -1.16 -2.23 119.36 118.46 1s5l n ILE 9 Ca -0.06 0.30 -0.13 0.00 1.00 0.00 0.00 62.75 63.86 1s5l n ILE 9 Cb 0.36 -1.23 -0.07 0.00 -0.71 0.00 0.00 39.64 38.00 1s5l n ILE 9 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 1s5l h PHE 10 N 0.00 0.00 -0.66 1.39 3.57 -0.17 -3.28 116.94 117.79 1s5l h PHE 10 Ca 0.00 0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.69 1s5l h PHE 10 Cb 0.05 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 1s5l h PHE 10 CO 0.00 0.74 0.50 0.00 -2.23 0.00 0.00 178.31 177.32 1s5l h ALA 11 N -0.72 2.57 -0.23 2.41 0.00 -0.56 0.47 119.26 123.20 1s5l h ALA 11 Ca -0.16 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.53 1s5l h ALA 11 Cb 0.87 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1s5l h ALA 11 CO -0.10 -0.84 -0.61 0.00 0.00 0.00 0.00 179.25 177.70 1s5l n ILE 13 N -4.02 1.13 -0.07 0.00 5.41 0.13 0.29 119.36 122.22 1s5l n ILE 13 Ca -0.06 0.31 -0.06 0.00 1.00 0.00 0.00 62.75 63.95 1s5l n ILE 13 Cb 0.66 -1.15 -0.14 0.00 -0.71 0.00 0.00 39.64 38.30 1s5l n ILE 13 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1s5l n ILE 14 N -1.68 0.99 0.01 1.39 5.41 -1.03 -3.70 119.36 120.75 1s5l n ILE 14 Ca 0.02 -0.68 -0.08 0.00 1.00 0.00 0.00 62.75 63.01 1s5l n ILE 14 Cb 0.15 -0.44 0.09 0.00 -0.71 0.00 0.00 39.64 38.73 1s5l n ILE 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1s5l h ALA 15 N 0.99 0.79 -0.06 -1.39 0.00 -0.07 -2.51 119.26 117.00 1s5l h ALA 15 Ca -0.39 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 53.95 1s5l h ALA 15 Cb 1.87 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 1s5l h ALA 15 CO 0.02 0.67 -0.35 1.25 0.00 0.00 0.00 179.25 180.84 1s5l h LEU 16 N 0.41 0.13 0.00 0.00 5.85 -0.33 -2.46 115.31 118.91 1s5l h LEU 16 Ca 0.02 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1s5l h LEU 16 Cb 1.00 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1s5l h LEU 16 CO 0.09 0.48 0.00 0.49 -0.34 0.00 0.00 178.44 179.16 1s5l n PHE 17 N -4.09 0.00 -0.25 1.25 0.99 -0.97 -0.75 117.46 113.63 1s5l n PHE 17 Ca -0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 57.45 57.38 1s5l n PHE 17 Cb 0.41 -0.18 -0.05 0.00 -1.00 0.00 0.00 39.48 38.66 1s5l n PHE 17 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1s5l n PHE 18 N -1.04 -0.23 0.27 1.38 7.35 -1.05 0.15 117.46 124.27 1s5l n PHE 18 Ca 0.00 0.76 0.11 0.00 -0.76 0.00 0.00 57.45 57.56 1s5l n PHE 18 Cb 0.00 -0.57 0.74 0.00 0.35 0.00 0.00 39.48 39.99 1s5l n PHE 18 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1s5l h PHE 19 N 0.00 0.00 0.19 -5.13 -1.00 -1.48 0.43 116.94 109.94 1s5l h PHE 19 Ca 0.11 0.00 -0.29 0.00 2.81 0.00 0.00 57.97 60.60 1s5l h PHE 19 Cb 0.26 0.00 0.02 0.00 3.61 0.00 0.00 35.95 39.85 1s5l h PHE 19 CO -0.61 0.07 -1.35 0.00 -1.61 0.00 0.00 178.31 174.81 1s5l h ALA 20 N 1.93 -0.02 0.04 2.45 0.00 0.35 -2.36 119.26 121.65 1s5l h ALA 20 Ca -0.00 -0.92 -0.23 0.00 0.00 0.00 0.00 54.91 53.77 1s5l h ALA 20 Cb 0.15 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1s5l h ALA 20 CO 0.01 0.70 -1.06 0.82 0.00 0.00 0.00 179.25 179.71 1s5l h ILE 21 N -0.08 1.63 0.00 0.00 2.04 -0.38 -3.25 117.51 117.47 1s5l h ILE 21 Ca -0.25 -3.25 0.00 0.00 1.00 0.00 0.00 64.86 62.36 1s5l h ILE 21 Cb 1.94 2.85 0.00 0.00 -0.74 0.00 0.00 36.82 40.87 1s5l h ILE 21 CO 0.18 0.94 -0.94 0.49 0.00 0.00 0.00 178.15 178.82 1s5l n PHE 22 N -3.43 0.00 -2.53 1.37 0.99 0.15 -4.57 117.46 109.44 1s5l n PHE 22 Ca -0.03 0.00 -0.14 0.00 -0.00 0.00 0.00 57.45 57.28 1s5l n PHE 22 Cb 0.95 -0.05 0.03 0.00 -1.00 0.00 0.00 39.48 39.41 1s5l n PHE 22 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 1s5l n PHE 23 N -1.50 2.08 -2.49 1.38 3.01 -0.89 -5.01 117.46 114.05 1s5l n PHE 23 Ca 0.02 -2.60 -0.23 0.00 1.01 0.00 0.00 57.45 55.66 1s5l n PHE 23 Cb 0.29 -0.26 0.05 0.00 -0.01 0.00 0.00 39.48 39.55 1s5l n PHE 23 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1s5l s ARG 24 N -3.49 2.42 -0.01 -1.08 3.52 -1.23 -4.77 118.95 114.31 1s5l s ARG 24 Ca 0.37 -0.61 -0.27 0.00 -0.13 0.00 0.00 55.73 55.10 1s5l s ARG 24 Cb 0.40 -2.38 -0.04 0.00 -1.56 0.00 0.00 34.95 31.37 1s5l s ARG 24 CO -0.04 -0.90 0.84 -2.00 -0.81 0.00 0.00 175.30 172.39 1s5l s GLU 25 N -4.93 4.51 0.42 5.12 2.12 -1.26 -5.02 118.70 119.66 1s5l s GLU 25 Ca 0.58 1.16 -0.25 0.00 0.36 0.00 0.00 54.97 56.83 1s5l s GLU 25 Cb -0.10 -3.43 -0.10 0.00 0.26 0.00 0.00 34.13 30.75 1s5l s GLU 25 CO 0.41 0.07 1.16 -2.30 -0.54 0.00 0.00 175.26 174.05 1s5l n PRO 26 N 3.58 1.67 -3.41 4.30 -0.02 -1.26 -4.98 135.00 134.88 1s5l n PRO 26 Ca 0.02 0.60 -0.43 0.00 -2.02 0.00 0.00 63.50 61.66 1s5l n PRO 26 Cb 0.51 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.74 1s5l n PRO 26 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1s5l s PRO 27 N -2.12 3.88 0.04 0.52 0.04 -1.26 -5.06 135.00 131.03 1s5l s PRO 27 Ca 0.62 -3.10 0.02 0.00 0.04 0.00 0.00 61.00 58.58 1s5l s PRO 27 Cb -0.53 -4.39 -0.04 0.00 0.04 0.00 0.00 34.50 29.58 1s5l s PRO 27 CO 0.57 -1.25 0.06 1.03 0.04 0.00 0.00 177.00 177.45 1s5l s ARG 28 N -1.03 2.90 -0.01 4.56 0.52 -1.26 -5.00 118.95 119.62 1s5l s ARG 28 Ca 0.28 -0.62 0.09 0.00 -0.52 0.00 0.00 55.73 54.95 1s5l s ARG 28 Cb -0.10 -2.74 0.28 0.00 0.52 0.00 0.00 34.95 32.90 1s5l s ARG 28 CO -0.09 0.60 1.19 -0.89 0.02 0.00 0.00 175.30 176.13 1s5l n ILE 29 N 0.86 0.51 0.06 1.52 5.41 -1.26 -4.23 119.36 122.23 1s5l n ILE 29 Ca -0.11 -0.43 0.03 0.00 1.00 0.00 0.00 62.75 63.24 1s5l n ILE 29 Cb 0.52 0.11 0.18 0.00 -0.71 0.00 0.00 39.64 39.75 1s5l n ILE 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1s5l n THR 30 N 0.37 1.46 1.76 1.39 -1.04 -1.26 -5.38 114.28 111.57 1s5l n THR 30 Ca 0.10 0.59 0.14 0.00 -2.04 0.00 0.00 64.05 62.84 1s5l n THR 30 Cb 0.31 -1.59 0.83 0.00 -1.82 0.00 0.00 70.33 68.07 1s5l n THR 30 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72