#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2lfb h ALA 1 N 0.00 -0.16 -2.77 3.04 0.00 -2.06 -3.46 119.26 113.84 2lfb h ALA 1 Ca 0.00 -0.09 -0.52 0.00 0.00 0.00 0.00 54.91 54.30 2lfb h ALA 1 Cb 0.00 0.06 0.08 0.00 0.00 0.00 0.00 17.79 17.93 2lfb h ALA 1 CO 0.00 -0.16 0.52 -0.98 0.00 0.00 0.00 179.25 178.62 2lfb s ARG 2 N -2.24 3.60 0.00 0.00 1.04 -1.26 -4.03 118.95 116.06 2lfb s ARG 2 Ca -0.05 1.89 0.00 0.00 -1.04 0.00 0.00 55.73 56.53 2lfb s ARG 2 Cb 0.00 -2.37 0.00 0.00 -2.04 0.00 0.00 34.95 30.54 2lfb s ARG 2 CO 0.16 -0.71 0.00 1.51 -0.04 0.00 0.00 175.30 176.22 2lfb n ILE 3 N -0.63 0.00 -0.01 4.99 3.06 -1.26 -4.96 119.36 120.55 2lfb n ILE 3 Ca 0.08 0.00 -0.00 0.00 -2.50 0.00 0.00 62.75 60.33 2lfb n ILE 3 Cb 0.47 0.00 -0.00 0.00 0.54 0.00 0.00 39.64 40.65 2lfb n ILE 3 CO 0.00 0.00 0.00 -0.78 -2.50 0.00 0.00 176.55 173.27 2lfb h ASP 4 N 0.00 0.00 -0.22 9.51 3.58 -1.95 -3.39 116.42 123.96 2lfb h ASP 4 Ca 0.00 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.90 2lfb h ASP 4 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2lfb h ASP 4 CO 0.00 0.11 1.95 -0.81 -2.88 0.00 0.00 179.24 177.61 2lfb n PRO 5 N -2.61 1.76 -2.70 0.28 -0.04 -1.26 -4.40 135.00 126.02 2lfb n PRO 5 Ca -0.00 -2.21 -0.07 0.00 -0.04 0.00 0.00 63.50 61.18 2lfb n PRO 5 Cb 0.00 -3.26 0.12 0.00 -0.04 0.00 0.00 33.50 30.32 2lfb n PRO 5 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2lfb n THR 6 N 6.56 0.01 -3.17 0.52 -1.04 -1.26 -4.82 114.28 111.09 2lfb n THR 6 Ca 0.48 -1.50 -0.20 0.00 -2.04 0.00 0.00 64.05 60.79 2lfb n THR 6 Cb 0.43 1.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.89 2lfb n THR 6 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2lfb n LYS 7 N -0.63 0.86 -0.67 -2.82 4.76 -1.26 -4.99 118.16 113.42 2lfb n LYS 7 Ca -0.03 -3.24 -0.32 0.00 -2.87 0.00 0.00 58.31 51.85 2lfb n LYS 7 Cb 0.85 -1.48 -0.09 0.00 -1.84 0.00 0.00 35.03 32.47 2lfb n LYS 7 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2lfb n LYS 8 N 0.76 0.00 0.00 1.97 2.85 -1.26 -3.57 118.16 118.91 2lfb n LYS 8 Ca 0.22 -0.73 0.00 0.00 -1.05 0.00 0.00 58.31 56.75 2lfb n LYS 8 Cb 0.61 -2.11 0.00 0.00 -0.65 0.00 0.00 35.03 32.88 2lfb n LYS 8 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2lfb n GLY 9 N 4.61 -0.54 3.51 2.58 0.00 -1.26 -5.11 105.19 108.98 2lfb n GLY 9 Ca 0.34 0.16 -0.41 0.00 0.00 0.00 0.00 46.02 46.11 2lfb n GLY 9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2lfb s ARG 10 N 0.00 3.33 0.54 1.61 1.81 -1.23 -5.01 118.95 119.99 2lfb s ARG 10 Ca 0.00 -0.72 -0.22 0.00 -1.72 0.00 0.00 55.73 53.07 2lfb s ARG 10 Cb 0.00 -3.87 -0.05 0.00 -0.45 0.00 0.00 34.95 30.58 2lfb s ARG 10 CO 0.00 -0.57 1.34 0.50 -0.68 0.00 0.00 175.30 175.89 2lfb s ARG 11 N 1.79 3.18 0.00 3.54 3.52 -1.26 -4.93 118.95 124.78 2lfb s ARG 11 Ca 0.07 2.20 0.00 0.00 -0.13 0.00 0.00 55.73 57.87 2lfb s ARG 11 Cb -0.18 -2.26 0.00 0.00 -1.56 0.00 0.00 34.95 30.95 2lfb s ARG 11 CO 0.11 -1.15 0.00 -1.71 -0.81 0.00 0.00 175.30 171.74 2lfb n ASN 12 N -1.00 2.39 -0.28 -2.12 5.15 -1.26 -4.74 115.26 113.40 2lfb n ASN 12 Ca 0.10 0.00 0.02 0.00 -0.60 0.00 0.00 54.58 54.10 2lfb n ASN 12 Cb 0.45 0.07 0.15 0.00 -0.53 0.00 0.00 39.78 39.92 2lfb n ASN 12 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 2lfb h ARG 13 N 0.00 0.75 -7.19 1.20 0.11 -2.04 -3.42 114.38 103.79 2lfb h ARG 13 Ca 0.00 -0.05 -0.42 0.00 0.10 0.00 0.00 59.98 59.62 2lfb h ARG 13 Cb 0.56 -0.17 0.20 0.00 1.11 0.00 0.00 29.97 31.68 2lfb h ARG 13 CO 0.00 0.50 0.02 0.12 0.10 0.00 0.00 179.97 180.71 2lfb s PHE 14 N -6.05 0.74 -0.29 4.08 5.36 -1.26 -5.09 117.98 115.46 2lfb s PHE 14 Ca -0.12 0.84 -0.23 0.00 -0.96 0.00 0.00 56.93 56.45 2lfb s PHE 14 Cb 0.18 -3.12 0.17 0.00 -0.34 0.00 0.00 43.02 39.91 2lfb s PHE 14 CO 0.78 -4.09 1.25 -1.59 -1.46 0.00 0.00 175.22 170.11 2lfb s LYS 15 N -4.88 0.22 0.38 10.12 -2.85 -1.26 -5.09 119.74 116.38 2lfb s LYS 15 Ca 0.68 0.29 -0.21 0.00 -1.00 0.00 0.00 55.97 55.73 2lfb s LYS 15 Cb -0.18 0.10 -0.10 0.00 -2.06 0.00 0.00 37.83 35.58 2lfb s LYS 15 CO 0.60 -0.03 0.91 -1.58 0.10 0.00 0.00 175.35 175.35 2lfb s TRP 16 N 0.33 3.42 0.41 1.78 0.52 -1.26 -5.09 118.94 119.05 2lfb s TRP 16 Ca 0.03 1.58 0.08 0.00 0.02 0.00 0.00 56.10 57.81 2lfb s TRP 16 Cb -0.05 -2.81 0.00 0.00 -1.15 0.00 0.00 33.47 29.47 2lfb s TRP 16 CO -0.12 0.01 0.54 0.20 0.02 0.00 0.00 176.95 177.60 2lfb s GLY 17 N -2.04 1.92 0.37 0.98 0.00 -1.26 -4.95 107.32 102.34 2lfb s GLY 17 Ca 0.57 -1.66 0.05 0.00 0.00 0.00 0.00 44.72 43.68 2lfb s GLY 17 CO 0.16 -1.49 2.00 -0.56 0.00 0.00 0.00 173.10 173.21 2lfb h PRO 18 N 0.71 0.63 0.21 2.90 0.13 -1.98 0.10 132.00 134.70 2lfb h PRO 18 Ca -0.41 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2lfb h PRO 18 Cb 1.28 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2lfb h PRO 18 CO 0.47 0.46 -0.10 0.00 -0.23 0.00 0.00 178.00 178.60 2lfb h ALA 19 N 1.64 -0.29 -0.85 -0.56 0.00 -1.96 -1.18 119.26 116.07 2lfb h ALA 19 Ca 0.17 -0.21 0.19 0.00 0.00 0.00 0.00 54.91 55.06 2lfb h ALA 19 Cb 0.01 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 17.80 2lfb h ALA 19 CO -0.03 -0.40 0.35 0.77 0.00 0.00 0.00 179.25 179.94 2lfb h SER 20 N -0.80 0.29 -0.78 0.00 0.02 -1.88 -0.72 113.55 109.68 2lfb h SER 20 Ca -0.03 0.14 0.12 0.00 -0.84 0.00 0.00 61.79 61.18 2lfb h SER 20 Cb 0.51 0.13 -0.08 0.00 0.14 0.00 0.00 62.40 63.10 2lfb h SER 20 CO 0.05 0.03 0.38 -0.61 -1.14 0.00 0.00 176.83 175.54 2lfb h GLN 21 N 0.41 0.58 0.00 3.45 5.75 -0.25 0.39 115.11 125.43 2lfb h GLN 21 Ca 0.51 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.97 2lfb h GLN 21 Cb 0.91 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.33 2lfb h GLN 21 CO -0.50 0.38 0.14 -0.56 -2.65 0.00 0.00 178.83 175.64 2lfb h GLN 22 N 0.60 0.00 0.00 1.69 3.07 0.10 0.60 115.11 121.17 2lfb h GLN 22 Ca 0.41 0.00 -0.26 0.00 0.09 0.00 0.00 58.65 58.88 2lfb h GLN 22 Cb 0.52 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.03 2lfb h GLN 22 CO -0.33 0.00 -2.00 -0.89 0.09 0.00 0.00 178.83 175.70 2lfb n ILE 23 N -2.40 1.01 -0.02 1.86 5.41 -0.10 -3.82 119.36 121.30 2lfb n ILE 23 Ca -0.02 -0.38 -0.11 0.00 1.00 0.00 0.00 62.75 63.25 2lfb n ILE 23 Cb 0.17 -1.14 -0.04 0.00 -0.71 0.00 0.00 39.64 37.92 2lfb n ILE 23 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2lfb h LEU 24 N -0.02 -1.09 -1.15 1.39 3.38 -0.27 -0.59 115.31 116.96 2lfb h LEU 24 Ca -0.39 0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.79 2lfb h LEU 24 Cb 1.60 0.47 -0.06 0.00 0.09 0.00 0.00 40.66 42.76 2lfb h LEU 24 CO -0.07 -0.37 0.59 2.19 0.09 0.00 0.00 178.44 180.87 2lfb h PHE 25 N -0.40 1.06 -0.55 1.13 -0.00 -1.14 -1.59 116.94 115.45 2lfb h PHE 25 Ca 0.10 0.03 -0.06 0.00 -0.00 0.00 0.00 57.97 58.04 2lfb h PHE 25 Cb 0.57 -0.35 -0.02 0.00 -0.00 0.00 0.00 35.95 36.14 2lfb h PHE 25 CO -0.45 0.58 0.12 -0.56 -0.00 0.00 0.00 178.31 178.00 2lfb h GLN 26 N 1.06 0.89 -0.34 6.09 3.07 -1.24 0.12 115.11 124.76 2lfb h GLN 26 Ca 0.37 -0.22 -0.01 0.00 0.09 0.00 0.00 58.65 58.88 2lfb h GLN 26 Cb 0.12 -0.11 -0.02 0.00 0.08 0.00 0.00 27.48 27.56 2lfb h GLN 26 CO -0.13 0.85 0.18 0.00 0.09 0.00 0.00 178.83 179.82 2lfb h ALA 27 N 1.01 0.44 -0.89 0.06 0.00 -1.09 -2.09 119.26 116.70 2lfb h ALA 27 Ca 0.17 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.14 2lfb h ALA 27 Cb 0.37 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 2lfb h ALA 27 CO 0.01 -0.03 0.49 -0.92 0.00 0.00 0.00 179.25 178.80 2lfb h TYR 28 N 0.42 0.87 0.71 0.00 3.20 -0.13 0.73 116.97 122.77 2lfb h TYR 28 Ca 0.12 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 2lfb h TYR 28 Cb 0.07 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.09 2lfb h TYR 28 CO -0.03 0.24 -0.38 1.49 -1.64 0.00 0.00 178.16 177.85 2lfb h GLU 29 N 0.71 -0.97 -0.15 1.82 4.57 -0.50 -2.16 114.58 117.91 2lfb h GLU 29 Ca 0.47 0.07 -0.22 0.00 -1.18 0.00 0.00 59.36 58.50 2lfb h GLU 29 Cb 0.63 0.22 0.01 0.00 -0.16 0.00 0.00 28.75 29.45 2lfb h GLU 29 CO -0.34 -0.65 -0.77 0.07 -1.18 0.00 0.00 179.01 176.15 2lfb h ARG 30 N -1.01 0.74 -1.26 1.92 0.11 -0.66 -3.40 114.38 110.82 2lfb h ARG 30 Ca -0.09 -0.60 -0.13 0.00 0.10 0.00 0.00 59.98 59.26 2lfb h ARG 30 Cb 0.79 0.12 -0.23 0.00 1.11 0.00 0.00 29.97 31.77 2lfb h ARG 30 CO 0.13 1.21 -0.50 1.14 0.10 0.00 0.00 179.97 182.05 2lfb s GLN 31 N -3.74 0.72 0.57 0.08 -2.07 0.17 -5.01 119.66 110.37 2lfb s GLN 31 Ca -0.10 -0.26 0.34 0.00 -1.82 0.00 0.00 55.36 53.52 2lfb s GLN 31 Cb 0.09 -0.09 1.45 0.00 -1.09 0.00 0.00 33.01 33.37 2lfb s GLN 31 CO 0.90 -1.16 1.75 -0.22 -1.32 0.00 0.00 175.29 175.24 2lfb h LYS 32 N 7.23 0.00 -5.64 9.60 3.64 -1.48 -3.27 116.57 126.66 2lfb h LYS 32 Ca 0.03 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.80 2lfb h LYS 32 Cb 1.15 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.84 2lfb h LYS 32 CO 0.14 0.00 0.71 -0.80 -2.27 0.00 0.00 179.45 177.24 2lfb s ASN 33 N -4.90 6.21 0.17 4.20 0.01 -1.26 -4.97 114.94 114.40 2lfb s ASN 33 Ca -0.04 -0.97 -0.33 0.00 -0.71 0.00 0.00 52.86 50.81 2lfb s ASN 33 Cb 0.20 -2.45 -0.13 0.00 0.41 0.00 0.00 41.25 39.27 2lfb s ASN 33 CO 0.69 -1.51 1.64 -0.81 -1.51 0.00 0.00 177.10 175.61 2lfb n PRO 34 N 8.04 2.38 0.00 -0.60 -0.04 -1.23 -4.94 135.00 138.60 2lfb n PRO 34 Ca 0.01 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.33 2lfb n PRO 34 Cb 0.47 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 2lfb n PRO 34 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2lfb n SER 35 N 3.78 0.00 0.00 3.54 3.41 -1.26 -5.03 113.62 118.06 2lfb n SER 35 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 2lfb n SER 35 Cb 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 2lfb n SER 35 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2lfb n LYS 36 N -0.11 0.00 -0.30 4.33 0.00 -1.26 -4.85 118.16 115.97 2lfb n LYS 36 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 58.31 58.29 2lfb n LYS 36 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.04 2lfb n LYS 36 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2lfb n GLU 37 N -0.15 -0.21 -0.30 1.64 2.13 -1.26 -0.93 120.64 121.56 2lfb n GLU 37 Ca 0.00 1.17 0.13 0.00 0.66 0.00 0.00 57.16 59.12 2lfb n GLU 37 Cb 0.00 -1.73 0.30 0.00 0.27 0.00 0.00 31.44 30.27 2lfb n GLU 37 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2lfb h GLU 38 N 0.00 0.40 0.34 5.31 4.22 -1.98 0.34 114.58 123.21 2lfb h GLU 38 Ca 0.24 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.64 2lfb h GLU 38 Cb 0.43 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2lfb h GLU 38 CO -0.75 0.27 -0.16 0.00 -2.18 0.00 0.00 179.01 176.18 2lfb h ARG 39 N 0.41 -0.44 -0.47 1.92 3.08 -1.36 0.13 114.38 117.65 2lfb h ARG 39 Ca 0.55 0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.68 2lfb h ARG 39 Cb 1.03 0.10 -0.08 0.00 0.08 0.00 0.00 29.97 31.10 2lfb h ARG 39 CO -0.52 -0.19 -0.53 0.93 -1.07 0.00 0.00 179.97 178.60 2lfb h GLU 40 N -0.63 -0.30 -0.59 0.04 5.08 -1.05 -1.44 114.58 115.68 2lfb h GLU 40 Ca -0.05 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.44 2lfb h GLU 40 Cb 0.46 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.69 2lfb h GLU 40 CO 0.08 -0.20 0.11 0.00 -1.00 0.00 0.00 179.01 178.00 2lfb h THR 41 N -0.31 0.63 0.08 1.13 1.03 -0.37 -0.27 112.91 114.84 2lfb h THR 41 Ca 0.08 -0.08 -0.00 0.00 -0.01 0.00 0.00 66.41 66.40 2lfb h THR 41 Cb 0.53 0.37 -0.00 0.00 -1.07 0.00 0.00 68.15 67.98 2lfb h THR 41 CO -0.61 0.04 -0.05 -0.07 -0.01 0.00 0.00 175.52 174.83 2lfb h LEU 42 N 0.24 -0.13 -0.79 0.00 3.38 -0.17 0.23 115.31 118.07 2lfb h LEU 42 Ca 0.31 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.25 2lfb h LEU 42 Cb 0.46 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 2lfb h LEU 42 CO -0.41 -0.08 0.36 0.58 0.09 0.00 0.00 178.44 178.98 2lfb h VAL 43 N -0.13 1.25 0.67 1.22 2.07 -0.91 0.84 116.25 121.26 2lfb h VAL 43 Ca -0.01 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 2lfb h VAL 43 Cb 0.11 0.27 0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2lfb h VAL 43 CO 0.01 0.31 -0.32 -0.08 0.02 0.00 0.00 177.57 177.50 2lfb h GLU 44 N 1.12 -0.87 -0.91 1.57 4.57 -0.55 0.11 114.58 119.62 2lfb h GLU 44 Ca 0.27 0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.52 2lfb h GLU 44 Cb 0.14 0.20 -0.05 0.00 -0.16 0.00 0.00 28.75 28.88 2lfb h GLU 44 CO -0.03 -0.58 0.60 0.93 -1.18 0.00 0.00 179.01 178.75 2lfb h GLU 45 N -0.92 1.17 0.03 1.92 4.39 -0.59 -0.70 114.58 119.89 2lfb h GLU 45 Ca -0.09 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.56 2lfb h GLU 45 Cb 0.69 -0.26 -0.04 0.00 -0.10 0.00 0.00 28.75 29.04 2lfb h GLU 45 CO 0.15 0.78 -0.20 0.00 -1.16 0.00 0.00 179.01 178.57 2lfb h ASN 47 N -0.34 -0.70 0.48 0.00 2.35 0.43 0.43 115.58 118.22 2lfb h ASN 47 Ca 0.05 0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 2lfb h ASN 47 Cb 0.41 0.40 -0.01 0.00 0.05 0.00 0.00 38.32 39.17 2lfb h ASN 47 CO -0.17 -0.23 -0.38 -0.09 -1.65 0.00 0.00 177.43 174.91 2lfb h ARG 48 N -0.08 -0.80 -0.97 0.81 2.43 -0.71 -0.92 114.38 114.14 2lfb h ARG 48 Ca 0.24 0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.58 2lfb h ARG 48 Cb 0.46 0.18 -0.08 0.00 -0.42 0.00 0.00 29.97 30.11 2lfb h ARG 48 CO -0.57 -0.53 0.62 0.00 -1.51 0.00 0.00 179.97 177.98 2lfb h ALA 49 N -1.23 1.55 0.00 2.80 0.00 -0.30 -0.80 119.26 121.28 2lfb h ALA 49 Ca -0.06 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 2lfb h ALA 49 Cb 0.69 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2lfb h ALA 49 CO 0.01 0.23 -0.71 1.49 0.00 0.00 0.00 179.25 180.27 2lfb h GLU 50 N 0.98 0.00 -0.26 0.00 4.57 0.01 -1.48 114.58 118.40 2lfb h GLU 50 Ca 0.47 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.54 2lfb h GLU 50 Cb 0.44 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 2lfb h GLU 50 CO -0.23 0.71 -0.25 0.00 -1.18 0.00 0.00 179.01 178.06 2lfb h ILE 52 N 0.35 1.25 0.00 0.00 2.04 -0.55 -0.23 117.51 120.38 2lfb h ILE 52 Ca 0.04 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.93 2lfb h ILE 52 Cb 0.82 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 2lfb h ILE 52 CO 0.06 0.35 0.08 0.00 0.00 0.00 0.00 178.15 178.64 2lfb n GLN 53 N -4.37 0.07 0.00 2.37 10.64 -0.62 -0.89 117.38 124.58 2lfb n GLN 53 Ca 0.01 0.53 0.00 0.00 -1.83 0.00 0.00 57.00 55.72 2lfb n GLN 53 Cb 0.27 -1.80 0.00 0.00 -0.86 0.00 0.00 30.24 27.86 2lfb n GLN 53 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2lfb n ARG 54 N -1.84 0.81 -3.13 2.61 1.74 -0.34 -4.99 116.66 111.52 2lfb n ARG 54 Ca -0.01 -0.92 -0.21 0.00 -0.77 0.00 0.00 57.85 55.94 2lfb n ARG 54 Cb 0.09 -0.97 0.01 0.00 -1.02 0.00 0.00 32.46 30.57 2lfb n ARG 54 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2lfb n GLY 55 N -0.22 -0.50 3.77 -0.13 0.00 -0.07 -4.95 105.19 103.10 2lfb n GLY 55 Ca 0.00 0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 2lfb n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2lfb s VAL 56 N -2.94 3.58 -0.11 1.61 1.01 -0.25 -4.96 120.40 118.34 2lfb s VAL 56 Ca 0.31 1.31 -0.35 0.00 0.00 0.00 0.00 61.98 63.25 2lfb s VAL 56 Cb -0.16 -3.72 -0.12 0.00 0.00 0.00 0.00 36.38 32.38 2lfb s VAL 56 CO 0.38 0.10 1.88 -1.20 0.00 0.00 0.00 175.10 176.27 2lfb n SER 57 N 0.23 3.35 -0.33 3.32 7.64 -1.26 -4.62 113.62 121.95 2lfb n SER 57 Ca 0.04 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.88 2lfb n SER 57 Cb 0.48 -1.35 0.17 0.00 -1.01 0.00 0.00 64.21 62.50 2lfb n SER 57 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2lfb h PRO 58 N 9.16 1.18 -0.84 1.43 0.13 -1.94 0.29 132.00 141.40 2lfb h PRO 58 Ca -0.48 -0.07 0.15 0.00 -0.87 0.00 0.00 66.00 64.73 2lfb h PRO 58 Cb 1.28 -0.27 -0.06 0.00 0.13 0.00 0.00 31.00 32.08 2lfb h PRO 58 CO 0.95 0.78 0.55 0.66 -0.23 0.00 0.00 178.00 180.71 2lfb h SER 59 N 1.21 0.54 -0.84 1.44 4.64 -2.01 -0.71 113.55 117.83 2lfb h SER 59 Ca 0.36 0.03 -0.45 0.00 -0.47 0.00 0.00 61.79 61.26 2lfb h SER 59 Cb -0.06 -0.07 -0.26 0.00 -0.31 0.00 0.00 62.40 61.70 2lfb h SER 59 CO -0.10 0.27 0.47 1.67 -0.87 0.00 0.00 176.83 178.28 2lfb n GLN 60 N -4.53 2.21 0.25 4.77 7.27 0.92 -4.68 117.38 123.59 2lfb n GLN 60 Ca 0.16 -3.10 0.14 0.00 0.07 0.00 0.00 57.00 54.27 2lfb n GLN 60 Cb 0.50 -2.10 0.83 0.00 2.41 0.00 0.00 30.24 31.87 2lfb n GLN 60 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2lfb h ALA 61 N 1.11 1.75 0.00 1.69 0.00 -0.18 -1.11 119.26 122.51 2lfb h ALA 61 Ca 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2lfb h ALA 61 Cb 2.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.18 2lfb h ALA 61 CO 0.97 -0.11 0.00 0.37 0.00 0.00 0.00 179.25 180.48 2lfb h GLN 62 N 0.00 0.00 -1.19 0.00 5.75 -1.84 -0.77 115.11 117.07 2lfb h GLN 62 Ca 0.04 0.00 0.34 0.00 -0.15 0.00 0.00 58.65 58.88 2lfb h GLN 62 Cb 0.18 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.68 2lfb h GLN 62 CO -0.00 0.00 0.89 0.78 -2.65 0.00 0.00 178.83 177.85 2lfb h GLY 63 N 1.05 0.00 -0.57 2.39 0.00 -1.58 -0.64 103.07 103.72 2lfb h GLY 63 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 47.33 47.52 2lfb h GLY 63 CO 0.00 0.00 0.13 1.04 0.00 0.00 0.00 176.54 177.71 2lfb n LEU 64 N -4.08 0.04 0.00 3.11 4.77 -0.29 -4.65 117.00 115.88 2lfb n LEU 64 Ca 0.26 0.96 0.00 0.00 -0.03 0.00 0.00 56.01 57.20 2lfb n LEU 64 Cb 1.27 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 2lfb n LEU 64 CO 0.39 -1.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.05 2lfb n GLY 65 N -1.23 0.52 0.23 -0.72 0.00 -0.25 -1.10 105.19 102.64 2lfb n GLY 65 Ca 0.17 0.15 -0.04 0.00 0.00 0.00 0.00 46.02 46.29 2lfb n GLY 65 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2lfb h SER 66 N 0.00 -0.60 -0.18 1.61 0.87 -1.91 -2.01 113.55 111.33 2lfb h SER 66 Ca 0.00 0.15 -0.14 0.00 -1.23 0.00 0.00 61.79 60.57 2lfb h SER 66 Cb 0.00 0.35 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2lfb h SER 66 CO 0.00 -0.21 -0.44 0.78 -0.53 0.00 0.00 176.83 176.44 2lfb h ASN 67 N -0.08 0.70 -0.68 6.23 -0.26 -1.49 -3.48 115.58 116.53 2lfb h ASN 67 Ca 0.21 -0.57 -0.59 0.00 -0.56 0.00 0.00 56.30 54.79 2lfb h ASN 67 Cb 0.41 -0.20 0.01 0.00 -1.06 0.00 0.00 38.32 37.47 2lfb h ASN 67 CO -0.50 1.14 0.45 -0.11 -1.06 0.00 0.00 177.43 177.36 2lfb n LEU 68 N -4.22 0.80 -4.78 1.61 7.94 -0.76 -4.90 117.00 112.69 2lfb n LEU 68 Ca -0.06 0.80 -0.33 0.00 -1.11 0.00 0.00 56.01 55.31 2lfb n LEU 68 Cb 0.56 -0.60 0.02 0.00 0.53 0.00 0.00 43.42 43.93 2lfb n LEU 68 CO 0.46 -0.59 0.74 -0.69 -1.11 0.00 0.00 177.39 176.20 2lfb s VAL 69 N 1.97 3.43 0.30 1.96 1.01 -1.26 -4.93 120.40 122.88 2lfb s VAL 69 Ca 0.71 0.73 -0.08 0.00 0.00 0.00 0.00 61.98 63.34 2lfb s VAL 69 Cb -1.01 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.13 2lfb s VAL 69 CO 0.55 -0.35 0.49 0.42 0.00 0.00 0.00 175.10 176.20 2lfb s THR 70 N -2.23 0.00 0.00 3.92 -4.23 -1.26 -5.00 115.64 106.84 2lfb s THR 70 Ca 0.67 -1.49 -0.24 0.00 -1.18 0.00 0.00 61.69 59.45 2lfb s THR 70 Cb -0.20 -2.48 -0.18 0.00 1.34 0.00 0.00 72.50 70.98 2lfb s THR 70 CO 0.36 0.00 1.34 -0.33 -0.54 0.00 0.00 174.62 175.44 2lfb h GLU 71 N 2.19 0.08 -0.28 3.99 3.07 -1.97 0.61 114.58 122.27 2lfb h GLU 71 Ca -0.28 -0.04 0.08 0.00 -0.50 0.00 0.00 59.36 58.62 2lfb h GLU 71 Cb 1.25 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.14 2lfb h GLU 71 CO 0.38 0.49 0.25 -0.24 -1.40 0.00 0.00 179.01 178.49 2lfb h VAL 72 N -0.33 0.62 0.30 3.13 3.04 -1.97 0.60 116.25 121.63 2lfb h VAL 72 Ca 0.01 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 2lfb h VAL 72 Cb 0.47 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 2lfb h VAL 72 CO 0.01 0.00 -0.14 -0.09 -1.01 0.00 0.00 177.57 176.33 2lfb h ARG 73 N 0.00 -0.38 -0.19 4.17 9.65 -1.29 0.75 114.38 127.09 2lfb h ARG 73 Ca 0.13 0.03 0.05 0.00 -1.10 0.00 0.00 59.98 59.09 2lfb h ARG 73 Cb 0.62 0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 29.24 2lfb h ARG 73 CO -0.00 -0.07 -0.15 0.28 2.80 0.00 0.00 179.97 182.83 2lfb h VAL 74 N -0.73 0.57 -0.46 0.20 2.07 -0.81 0.37 116.25 117.46 2lfb h VAL 74 Ca -0.04 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.57 2lfb h VAL 74 Cb 0.49 0.57 -0.09 0.00 -1.52 0.00 0.00 31.29 30.75 2lfb h VAL 74 CO 0.07 0.00 -0.10 0.22 0.02 0.00 0.00 177.57 177.77 2lfb h TYR 75 N -0.16 -0.22 -0.49 1.57 3.20 -0.84 -0.81 116.97 119.21 2lfb h TYR 75 Ca 0.12 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.93 2lfb h TYR 75 Cb 0.33 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 2lfb h TYR 75 CO -0.30 -0.19 -0.06 -2.95 -1.64 0.00 0.00 178.16 173.02 2lfb h ASN 76 N 0.01 0.85 0.22 -2.11 7.08 -0.16 0.57 115.58 122.04 2lfb h ASN 76 Ca 0.22 -0.25 0.00 0.00 -3.08 0.00 0.00 56.30 53.20 2lfb h ASN 76 Cb 0.34 -0.23 -0.02 0.00 -2.08 0.00 0.00 38.32 36.33 2lfb h ASN 76 CO -0.47 0.95 -0.23 -0.25 -2.08 0.00 0.00 177.43 175.36 2lfb h TRP 77 N 0.79 -0.60 0.07 4.14 2.91 0.39 0.24 115.95 123.90 2lfb h TRP 77 Ca 0.14 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.16 2lfb h TRP 77 Cb 0.57 0.24 0.00 0.00 -0.51 0.00 0.00 29.16 29.45 2lfb h TRP 77 CO 0.03 -0.33 -0.03 0.74 -1.03 0.00 0.00 178.44 177.82 2lfb h PHE 78 N -0.48 -0.08 -0.00 2.65 0.04 -1.17 0.14 116.94 118.04 2lfb h PHE 78 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2lfb h PHE 78 Cb 0.45 0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.63 2lfb h PHE 78 CO -0.16 0.02 0.00 0.00 -0.60 0.00 0.00 178.31 177.57 2lfb h ALA 79 N 0.77 1.17 0.08 2.45 0.00 -0.68 0.44 119.26 123.48 2lfb h ALA 79 Ca -0.01 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.60 2lfb h ALA 79 Cb 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2lfb h ALA 79 CO 0.01 -0.01 -1.62 -0.91 0.00 0.00 0.00 179.25 176.73 2lfb h ASN 80 N 0.00 0.27 -0.62 0.00 2.35 0.01 -3.34 115.58 114.24 2lfb h ASN 80 Ca 0.00 -0.78 0.10 0.00 -0.55 0.00 0.00 56.30 55.07 2lfb h ASN 80 Cb 0.01 -0.09 -0.08 0.00 0.05 0.00 0.00 38.32 38.22 2lfb h ASN 80 CO -0.00 1.68 0.22 0.03 -1.65 0.00 0.00 177.43 177.72 2lfb h ARG 81 N -0.38 0.39 -0.91 0.81 2.47 0.09 0.15 114.38 117.00 2lfb h ARG 81 Ca -0.37 -0.02 0.15 0.00 -1.26 0.00 0.00 59.98 58.47 2lfb h ARG 81 Cb 1.73 -0.09 -0.15 0.00 -1.65 0.00 0.00 29.97 29.81 2lfb h ARG 81 CO -0.02 0.26 -0.34 0.54 0.56 0.00 0.00 179.97 180.97 2lfb n ARG 82 N -5.01 -0.19 0.04 0.04 5.12 0.07 -0.38 116.66 116.34 2lfb n ARG 82 Ca 0.09 1.41 -0.19 0.00 -1.93 0.00 0.00 57.85 57.23 2lfb n ARG 82 Cb 0.29 -2.09 -0.09 0.00 -1.16 0.00 0.00 32.46 29.40 2lfb n ARG 82 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 2lfb h LYS 83 N 0.00 0.69 -0.77 5.56 1.63 -0.91 0.76 116.57 123.54 2lfb h LYS 83 Ca 0.34 -0.72 0.13 0.00 -0.85 0.00 0.00 60.65 59.54 2lfb h LYS 83 Cb 0.56 0.20 -0.09 0.00 -0.60 0.00 0.00 32.23 32.31 2lfb h LYS 83 CO -0.91 1.30 0.36 1.49 -3.45 0.00 0.00 179.45 178.24 2lfb h GLU 84 N 0.40 0.54 0.07 1.90 4.81 -0.25 0.38 114.58 122.43 2lfb h GLU 84 Ca -0.12 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2lfb h GLU 84 Cb 1.65 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.91 2lfb h GLU 84 CO 0.20 0.35 -0.03 1.49 -0.73 0.00 0.00 179.01 180.29 2lfb h GLU 85 N 0.55 -0.09 -0.85 1.92 4.57 -0.34 -2.90 114.58 117.45 2lfb h GLU 85 Ca 0.41 0.01 0.14 0.00 -1.18 0.00 0.00 59.36 58.73 2lfb h GLU 85 Cb 0.54 0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 29.06 2lfb h GLU 85 CO -0.34 0.29 0.44 0.00 -1.18 0.00 0.00 179.01 178.22 2lfb h ALA 86 N 0.42 1.27 -0.56 2.92 0.00 -0.47 0.36 119.26 123.20 2lfb h ALA 86 Ca -0.01 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.06 2lfb h ALA 86 Cb 0.41 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2lfb h ALA 86 CO 0.01 -0.07 0.37 0.35 0.00 0.00 0.00 179.25 179.91 2lfb h PHE 87 N 0.64 0.45 0.20 0.00 3.04 -0.79 -0.75 116.94 119.73 2lfb h PHE 87 Ca 0.46 0.01 -0.31 0.00 3.98 0.00 0.00 57.97 62.10 2lfb h PHE 87 Cb 0.63 -0.15 0.03 0.00 2.56 0.00 0.00 35.95 39.02 2lfb h PHE 87 CO -0.09 0.23 -1.37 -0.09 -2.02 0.00 0.00 178.31 174.97 2lfb h ARG 88 N 0.44 0.49 0.00 1.11 9.65 -0.49 -3.36 114.38 122.21 2lfb h ARG 88 Ca 0.25 -0.79 0.00 0.00 -1.10 0.00 0.00 59.98 58.33 2lfb h ARG 88 Cb 0.41 0.29 0.00 0.00 -1.39 0.00 0.00 29.97 29.28 2lfb h ARG 88 CO -0.07 1.37 0.00 1.58 2.80 0.00 0.00 179.97 185.66 2lfb n HIS 89 N -3.69 0.00 0.10 2.20 -0.00 0.97 -1.65 115.22 113.14 2lfb n HIS 89 Ca -0.14 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.09 2lfb n HIS 89 Cb 1.06 -0.21 0.23 0.00 -0.12 0.00 0.00 29.99 30.95 2lfb n HIS 89 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 2lfb n LYS 90 N -1.21 2.92 0.00 1.57 2.85 -0.67 -3.64 118.16 119.97 2lfb n LYS 90 Ca 0.11 -1.82 0.00 0.00 -1.05 0.00 0.00 58.31 55.55 2lfb n LYS 90 Cb 0.14 -1.75 0.00 0.00 -0.65 0.00 0.00 35.03 32.76 2lfb n LYS 90 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 2lfb n LEU 91 N 0.54 0.00 -2.64 -5.58 -0.00 -0.66 -4.89 117.00 103.76 2lfb n LEU 91 Ca 0.16 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.99 2lfb n LEU 91 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.09 2lfb n LEU 91 CO 0.17 0.00 -0.15 0.00 -0.00 0.00 0.00 177.39 177.40 2lfb n ALA 92 N -3.00 -0.80 -1.39 1.47 0.00 -1.26 -0.79 120.51 114.74 2lfb n ALA 92 Ca 0.00 0.15 -0.14 0.00 0.00 0.00 0.00 53.44 53.45 2lfb n ALA 92 Cb 0.00 -2.31 -0.06 0.00 0.00 0.00 0.00 19.45 17.08 2lfb n ALA 92 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2lfb n MET 93 N -3.21 -1.36 0.25 0.00 2.81 -1.26 -4.84 117.12 109.51 2lfb n MET 93 Ca -0.16 0.84 0.15 0.00 -1.81 0.00 0.00 57.70 56.73 2lfb n MET 93 Cb 0.63 -5.10 0.85 0.00 -0.71 0.00 0.00 33.22 28.89 2lfb n MET 93 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2lfb h ASP 94 N 0.00 0.00 0.00 7.83 5.19 -1.26 -3.45 116.42 124.74 2lfb h ASP 94 Ca -0.29 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.12 2lfb h ASP 94 Cb 0.95 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.46 2lfb h ASP 94 CO 0.42 0.00 0.00 0.41 -3.12 0.00 0.00 179.24 176.95 2lfb n THR 95 N -3.90 0.00 -0.24 0.35 -1.04 -1.26 -4.93 114.28 103.26 2lfb n THR 95 Ca -0.01 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.74 2lfb n THR 95 Cb 0.20 0.00 0.26 0.00 -1.82 0.00 0.00 70.33 68.96 2lfb n THR 95 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2lfb n TYR 96 N 0.00 -3.51 -3.18 -1.42 4.01 -1.26 -5.06 117.16 106.73 2lfb n TYR 96 Ca 0.00 -0.66 -0.11 0.00 -0.16 0.00 0.00 57.90 56.96 2lfb n TYR 96 Cb 0.00 -1.17 -0.04 0.00 -0.31 0.00 0.00 39.34 37.81 2lfb n TYR 96 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2lfb s LYS 97 N -4.72 0.83 -0.56 -0.72 2.47 -1.24 -4.53 119.74 111.28 2lfb s LYS 97 Ca 0.58 -0.98 -0.13 0.00 -1.56 0.00 0.00 55.97 53.89 2lfb s LYS 97 Cb -0.10 -0.47 0.02 0.00 -1.46 0.00 0.00 37.83 35.81 2lfb s LYS 97 CO 0.49 -1.26 0.64 -0.11 0.16 0.00 0.00 175.35 175.27 2lfb n LEU 98 N 3.73 -6.60 0.00 5.43 0.00 -1.25 -4.89 117.00 113.42 2lfb n LEU 98 Ca 0.16 0.17 0.00 0.00 0.00 0.00 0.00 56.01 56.34 2lfb n LEU 98 Cb 0.51 -3.06 0.00 0.00 0.00 0.00 0.00 43.42 40.86 2lfb n LEU 98 CO 0.04 -1.54 0.00 -0.46 0.00 0.00 0.00 177.39 175.43