#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2lfb n ALA 1 N 0.00 -2.40 -1.94 -5.12 0.00 -1.26 -4.80 120.51 104.99 2lfb n ALA 1 Ca 0.00 -0.44 -0.24 0.00 0.00 0.00 0.00 53.44 52.77 2lfb n ALA 1 Cb 0.00 -2.44 -0.06 0.00 0.00 0.00 0.00 19.45 16.95 2lfb n ALA 1 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2lfb s ARG 2 N -6.99 2.33 0.14 0.00 3.00 -1.26 -4.75 118.95 111.41 2lfb s ARG 2 Ca 0.33 -0.17 -0.13 0.00 0.00 0.00 0.00 55.73 55.75 2lfb s ARG 2 Cb -0.16 -5.01 -0.01 0.00 0.00 0.00 0.00 34.95 29.77 2lfb s ARG 2 CO 0.94 -3.67 1.58 -0.84 0.00 0.00 0.00 175.30 173.31 2lfb h ILE 3 N 7.29 1.26 -4.35 1.52 -2.65 -2.10 -3.50 117.51 114.98 2lfb h ILE 3 Ca 0.08 -1.07 0.00 0.00 1.03 0.00 0.00 64.86 64.90 2lfb h ILE 3 Cb 1.00 1.08 0.00 0.00 -2.05 0.00 0.00 36.82 36.85 2lfb h ILE 3 CO 1.16 0.37 -0.96 -0.67 0.03 0.00 0.00 178.15 178.09 2lfb n ASP 4 N -4.37 -8.97 -3.35 2.16 -0.08 -1.26 -4.71 116.55 95.97 2lfb n ASP 4 Ca -0.00 1.39 -0.31 0.00 -1.51 0.00 0.00 54.79 54.35 2lfb n ASP 4 Cb 0.31 -5.07 -0.03 0.00 2.34 0.00 0.00 41.12 38.67 2lfb n ASP 4 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2lfb n PRO 5 N 1.91 2.27 -3.77 -0.67 -0.04 -1.26 -4.61 135.00 128.83 2lfb n PRO 5 Ca 0.00 -1.76 -0.32 0.00 -0.04 0.00 0.00 63.50 61.38 2lfb n PRO 5 Cb 0.00 -2.68 -0.06 0.00 -0.04 0.00 0.00 33.50 30.72 2lfb n PRO 5 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2lfb n THR 6 N 4.60 -0.02 0.25 0.52 -2.24 -1.26 -4.84 114.28 111.29 2lfb n THR 6 Ca 0.52 -0.01 -0.12 0.00 -2.27 0.00 0.00 64.05 62.17 2lfb n THR 6 Cb 0.23 -0.38 -0.06 0.00 -2.10 0.00 0.00 70.33 68.02 2lfb n THR 6 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2lfb h LYS 7 N -0.66 -0.66 -2.44 -0.78 2.10 -1.97 -2.82 116.57 109.35 2lfb h LYS 7 Ca -0.45 0.05 -0.60 0.00 -2.00 0.00 0.00 60.65 57.64 2lfb h LYS 7 Cb 1.03 0.15 -0.11 0.00 -0.90 0.00 0.00 32.23 32.41 2lfb h LYS 7 CO 0.67 -0.39 1.79 0.36 -2.00 0.00 0.00 179.45 179.87 2lfb n LYS 8 N -5.24 3.58 0.00 0.07 2.85 -1.26 -4.10 118.16 114.05 2lfb n LYS 8 Ca -0.09 -2.69 0.00 0.00 -1.05 0.00 0.00 58.31 54.47 2lfb n LYS 8 Cb 0.30 -2.46 0.00 0.00 -0.65 0.00 0.00 35.03 32.22 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 1.86 0.17 0.19 2.58 0.00 -1.24 -4.99 105.19 103.78 2lfb n GLY 9 Ca 0.59 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 2lfb n GLY 9 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2lfb h ARG 10 N 0.00 0.55 -7.14 1.61 -0.00 -1.65 -3.46 114.38 104.29 2lfb h ARG 10 Ca 0.00 -0.44 -0.50 0.00 -0.00 0.00 0.00 59.98 59.04 2lfb h ARG 10 Cb 0.00 0.09 0.08 0.00 -0.00 0.00 0.00 29.97 30.14 2lfb h ARG 10 CO 0.00 1.06 0.40 0.50 -0.00 0.00 0.00 179.97 181.94 2lfb s ARG 11 N -3.69 3.11 0.00 0.08 6.06 -1.26 -4.92 118.95 118.33 2lfb s ARG 11 Ca -0.07 1.49 0.00 0.00 -2.50 0.00 0.00 55.73 54.64 2lfb s ARG 11 Cb 0.10 -1.98 0.00 0.00 0.06 0.00 0.00 34.95 33.13 2lfb s ARG 11 CO 0.86 -1.02 0.00 -1.71 -2.50 0.00 0.00 175.30 170.93 2lfb n ASN 12 N -1.84 0.00 -0.20 -2.12 5.15 -1.26 -4.92 115.26 110.07 2lfb n ASN 12 Ca 0.11 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 54.01 2lfb n ASN 12 Cb 0.52 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.79 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 0.87 -6.18 1.20 -0.00 -1.93 -3.39 114.38 104.95 2lfb h ARG 13 Ca 0.00 -0.18 -0.57 0.00 -0.00 0.00 0.00 59.98 59.23 2lfb h ARG 13 Cb 0.00 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.97 29.83 2lfb h ARG 13 CO 0.00 0.78 1.32 0.12 -0.00 0.00 0.00 179.97 182.19 2lfb s PHE 14 N -5.44 1.55 0.12 4.08 5.36 -1.26 -5.00 117.98 117.39 2lfb s PHE 14 Ca -0.13 0.41 0.03 0.00 -0.96 0.00 0.00 56.93 56.29 2lfb s PHE 14 Cb 0.12 -4.04 -0.04 0.00 -0.34 0.00 0.00 43.02 38.73 2lfb s PHE 14 CO 0.80 -3.77 0.13 -1.59 -1.46 0.00 0.00 175.22 169.33 2lfb s LYS 15 N 5.51 3.00 -0.20 10.12 -2.85 -1.26 -5.08 119.74 128.97 2lfb s LYS 15 Ca 0.87 -0.73 -0.29 0.00 -1.00 0.00 0.00 55.97 54.82 2lfb s LYS 15 Cb -0.30 -2.75 -0.03 0.00 -2.06 0.00 0.00 37.83 32.69 2lfb s LYS 15 CO 0.34 0.53 1.56 -1.58 0.10 0.00 0.00 175.35 176.31 2lfb s TRP 16 N -1.57 2.20 0.00 1.78 0.52 -1.26 -4.95 118.94 115.66 2lfb s TRP 16 Ca 0.31 0.57 0.00 0.00 0.02 0.00 0.00 56.10 57.00 2lfb s TRP 16 Cb -0.11 -3.93 0.00 0.00 -1.15 0.00 0.00 33.47 28.28 2lfb s TRP 16 CO 0.24 -2.84 0.00 0.41 0.02 0.00 0.00 176.95 174.78 2lfb n GLY 17 N 4.48 -2.47 0.32 0.98 0.00 -1.26 -4.67 105.19 102.58 2lfb n GLY 17 Ca 0.18 -1.43 -0.12 0.00 0.00 0.00 0.00 46.02 44.65 2lfb n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2lfb h PRO 18 N 0.00 -0.75 -0.13 1.61 0.13 -1.99 -1.10 132.00 129.77 2lfb h PRO 18 Ca 0.00 0.05 0.04 0.00 -0.87 0.00 0.00 66.00 65.22 2lfb h PRO 18 Cb 0.00 0.17 -0.05 0.00 0.13 0.00 0.00 31.00 31.25 2lfb h PRO 18 CO 0.00 -0.50 -0.15 0.00 -0.23 0.00 0.00 178.00 177.12 2lfb h ALA 19 N -1.37 -0.07 -0.70 -0.56 0.00 -1.98 0.12 119.26 114.71 2lfb h ALA 19 Ca -0.08 0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.98 2lfb h ALA 19 Cb 0.59 0.31 -0.11 0.00 0.00 0.00 0.00 17.79 18.59 2lfb h ALA 19 CO 0.13 -0.60 -0.31 0.43 0.00 0.00 0.00 179.25 178.90 2lfb n SER 20 N -5.30 -0.53 -0.35 0.00 7.64 -1.24 -0.34 113.62 113.50 2lfb n SER 20 Ca -0.03 1.23 -0.03 0.00 1.01 0.00 0.00 58.87 61.06 2lfb n SER 20 Cb 0.21 -0.25 0.10 0.00 -1.01 0.00 0.00 64.21 63.26 2lfb n SER 20 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2lfb h GLN 21 N 0.00 1.24 -0.06 1.43 4.20 0.57 -0.22 115.11 122.27 2lfb h GLN 21 Ca 0.21 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2lfb h GLN 21 Cb 0.39 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2lfb h GLN 21 CO -0.69 0.83 0.03 0.37 -0.67 0.00 0.00 178.83 178.70 2lfb h GLN 22 N 1.28 0.06 -0.39 1.46 5.75 0.02 -1.62 115.11 121.68 2lfb h GLN 22 Ca 0.34 -0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.92 2lfb h GLN 22 Cb -0.14 -0.01 -0.07 0.00 1.07 0.00 0.00 27.48 28.33 2lfb h GLN 22 CO -0.07 0.04 -0.06 0.82 -2.65 0.00 0.00 178.83 176.90 2lfb h ILE 23 N 0.06 0.64 -0.94 2.39 1.08 -0.31 -0.36 117.51 120.07 2lfb h ILE 23 Ca 0.03 -0.01 0.04 0.00 -0.39 0.00 0.00 64.86 64.53 2lfb h ILE 23 Cb 0.01 0.61 -0.06 0.00 -3.07 0.00 0.00 36.82 34.31 2lfb h ILE 23 CO -0.02 0.01 0.62 -0.07 -0.69 0.00 0.00 178.15 177.99 2lfb h LEU 24 N 0.03 1.01 0.22 1.44 3.38 -0.80 0.19 115.31 120.78 2lfb h LEU 24 Ca 0.19 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 2lfb h LEU 24 Cb 0.28 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2lfb h LEU 24 CO -0.37 0.68 -0.11 -0.26 0.09 0.00 0.00 178.44 178.47 2lfb h PHE 25 N 1.16 -0.27 -0.32 1.13 -1.00 -0.24 -0.68 116.94 116.72 2lfb h PHE 25 Ca 0.38 -0.01 0.03 0.00 2.81 0.00 0.00 57.97 61.19 2lfb h PHE 25 Cb 0.06 0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.69 2lfb h PHE 25 CO -0.00 0.02 0.21 -0.56 -1.61 0.00 0.00 178.31 176.38 2lfb h GLN 26 N -0.57 0.30 0.59 1.51 3.07 -0.67 -0.09 115.11 119.25 2lfb h GLN 26 Ca -0.03 -0.02 -0.03 0.00 0.09 0.00 0.00 58.65 58.66 2lfb h GLN 26 Cb 0.42 -0.07 0.01 0.00 0.08 0.00 0.00 27.48 27.92 2lfb h GLN 26 CO 0.05 0.20 -0.28 0.00 0.09 0.00 0.00 178.83 178.89 2lfb h ALA 27 N 1.82 -0.79 -0.99 0.06 0.00 -0.44 0.93 119.26 119.85 2lfb h ALA 27 Ca 0.13 -0.19 0.20 0.00 0.00 0.00 0.00 54.91 55.05 2lfb h ALA 27 Cb 0.14 0.30 -0.10 0.00 0.00 0.00 0.00 17.79 18.13 2lfb h ALA 27 CO -0.03 -0.89 0.62 -0.92 0.00 0.00 0.00 179.25 178.03 2lfb h TYR 28 N -0.90 0.91 0.49 0.00 3.20 -0.43 0.54 116.97 120.79 2lfb h TYR 28 Ca -0.08 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.79 2lfb h TYR 28 Cb 0.64 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.64 2lfb h TYR 28 CO -0.01 0.19 -0.24 1.49 -1.64 0.00 0.00 178.16 177.95 2lfb h GLU 29 N 0.65 -0.64 -0.11 1.82 4.81 -0.77 -3.14 114.58 117.20 2lfb h GLU 29 Ca 0.56 0.04 -0.22 0.00 -0.13 0.00 0.00 59.36 59.61 2lfb h GLU 29 Cb 1.03 0.14 0.01 0.00 0.63 0.00 0.00 28.75 30.56 2lfb h GLU 29 CO -0.33 -0.33 -0.81 0.00 -0.73 0.00 0.00 179.01 176.81 2lfb h ARG 30 N -0.95 0.67 -4.01 1.92 3.08 0.29 -3.39 114.38 111.99 2lfb h ARG 30 Ca -0.07 -0.58 -0.45 0.00 0.07 0.00 0.00 59.98 58.95 2lfb h ARG 30 Cb 0.60 0.13 -0.36 0.00 0.08 0.00 0.00 29.97 30.42 2lfb h ARG 30 CO 0.11 1.19 -0.78 -0.65 -1.07 0.00 0.00 179.97 178.77 2lfb s GLN 31 N -3.64 0.99 0.00 0.04 -0.21 0.08 -5.02 119.66 111.89 2lfb s GLN 31 Ca -0.09 -0.10 0.26 0.00 0.02 0.00 0.00 55.36 55.45 2lfb s GLN 31 Cb 0.09 -1.10 0.63 0.00 1.00 0.00 0.00 33.01 33.63 2lfb s GLN 31 CO 0.89 -0.18 1.49 1.17 -2.12 0.00 0.00 175.29 176.54 2lfb n LYS 32 N 4.57 0.30 -5.17 2.91 3.00 -1.19 -3.97 118.16 118.62 2lfb n LYS 32 Ca -0.16 -0.17 -0.31 0.00 -0.00 0.00 0.00 58.31 57.66 2lfb n LYS 32 Cb 0.50 -1.50 -0.17 0.00 0.00 0.00 0.00 35.03 33.87 2lfb n LYS 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2lfb s ASN 33 N -2.81 2.96 -0.99 3.14 2.20 -1.26 -4.92 114.94 113.25 2lfb s ASN 33 Ca 0.16 -0.52 -0.23 0.00 -0.94 0.00 0.00 52.86 51.33 2lfb s ASN 33 Cb 0.18 -1.20 0.02 0.00 -2.00 0.00 0.00 41.25 38.25 2lfb s ASN 33 CO 0.63 0.17 1.61 -2.16 -2.94 0.00 0.00 177.10 174.41 2lfb s PRO 34 N 0.23 3.29 0.00 3.55 0.04 -1.26 -4.90 135.00 135.94 2lfb s PRO 34 Ca -0.14 -0.90 0.00 0.00 0.04 0.00 0.00 61.00 59.99 2lfb s PRO 34 Cb -0.17 -5.28 0.00 0.00 0.04 0.00 0.00 34.50 29.10 2lfb s PRO 34 CO 0.07 -2.57 0.00 0.45 0.04 0.00 0.00 177.00 174.99 2lfb n SER 35 N 10.42 0.00 0.00 6.66 2.88 -1.26 -5.01 113.62 127.31 2lfb n SER 35 Ca 0.36 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 2lfb n SER 35 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 2lfb n SER 35 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2lfb n LYS 36 N 0.00 0.00 -0.05 -1.46 3.00 -1.26 -4.88 118.16 113.52 2lfb n LYS 36 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.16 2lfb n LYS 36 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 34.96 2lfb n LYS 36 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 2lfb h GLU 37 N 0.00 0.55 -0.09 1.64 4.81 -2.00 -3.27 114.58 116.23 2lfb h GLU 37 Ca 0.00 -0.38 0.01 0.00 -0.13 0.00 0.00 59.36 58.85 2lfb h GLU 37 Cb 0.00 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2lfb h GLU 37 CO 0.00 1.00 -0.05 -1.91 -0.73 0.00 0.00 179.01 177.32 2lfb n GLU 38 N -4.28 -0.04 -0.03 1.92 0.00 -1.26 -0.84 120.64 116.11 2lfb n GLU 38 Ca -0.07 0.32 -0.12 0.00 0.00 0.00 0.00 57.16 57.29 2lfb n GLU 38 Cb 0.54 -0.47 -0.08 0.00 0.00 0.00 0.00 31.44 31.43 2lfb n GLU 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.13 177.20 2lfb h ARG 39 N 0.00 0.17 -1.00 5.31 0.11 -1.90 -2.02 114.38 115.06 2lfb h ARG 39 Ca 0.01 -0.07 0.15 0.00 0.10 0.00 0.00 59.98 60.18 2lfb h ARG 39 Cb 0.04 -0.01 -0.10 0.00 1.11 0.00 0.00 29.97 31.01 2lfb h ARG 39 CO -0.08 0.49 0.62 0.93 0.10 0.00 0.00 179.97 182.03 2lfb h GLU 40 N -0.16 0.85 0.24 0.08 3.07 -1.48 -0.05 114.58 117.13 2lfb h GLU 40 Ca 0.02 -0.05 0.01 0.00 -0.50 0.00 0.00 59.36 58.84 2lfb h GLU 40 Cb 0.43 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 28.12 2lfb h GLU 40 CO 0.01 0.56 -0.29 1.15 -1.40 0.00 0.00 179.01 179.04 2lfb h THR 41 N 0.88 0.37 -0.58 1.13 2.02 -0.29 -0.64 112.91 115.81 2lfb h THR 41 Ca 0.53 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.67 2lfb h THR 41 Cb 0.68 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 2lfb h THR 41 CO -0.32 0.00 0.19 -0.07 0.37 0.00 0.00 175.52 175.69 2lfb h LEU 42 N -0.59 0.79 -0.45 2.58 -0.00 -0.64 0.73 115.31 117.74 2lfb h LEU 42 Ca 0.00 -0.12 0.08 0.00 -0.00 0.00 0.00 57.88 57.84 2lfb h LEU 42 Cb 0.56 -0.20 -0.07 0.00 -0.00 0.00 0.00 40.66 40.95 2lfb h LEU 42 CO -0.10 0.74 0.03 0.58 -0.00 0.00 0.00 178.44 179.69 2lfb h VAL 43 N 0.84 0.69 0.13 1.22 2.07 -0.41 0.33 116.25 121.12 2lfb h VAL 43 Ca 0.19 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.66 2lfb h VAL 43 Cb 0.22 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2lfb h VAL 43 CO -0.01 0.03 -0.10 -0.08 0.02 0.00 0.00 177.57 177.42 2lfb h GLU 44 N 0.15 -0.22 -0.88 1.57 4.57 -0.54 0.23 114.58 119.47 2lfb h GLU 44 Ca 0.22 0.01 0.18 0.00 -1.18 0.00 0.00 59.36 58.59 2lfb h GLU 44 Cb 0.32 0.05 -0.17 0.00 -0.16 0.00 0.00 28.75 28.79 2lfb h GLU 44 CO -0.34 -0.15 -0.22 0.93 -1.18 0.00 0.00 179.01 178.05 2lfb h GLU 45 N -0.23 0.00 0.35 1.92 5.08 -0.73 0.95 114.58 121.92 2lfb h GLU 45 Ca -0.02 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2lfb h GLU 45 Cb 0.19 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2lfb h GLU 45 CO 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 179.01 177.85 2lfb h ASN 47 N -0.83 -1.56 0.35 0.00 -0.26 0.50 0.26 115.58 114.02 2lfb h ASN 47 Ca -0.05 0.24 -0.01 0.00 -0.56 0.00 0.00 56.30 55.92 2lfb h ASN 47 Cb 0.53 0.69 -0.00 0.00 -1.06 0.00 0.00 38.32 38.48 2lfb h ASN 47 CO 0.08 -0.35 -0.21 -0.09 -1.06 0.00 0.00 177.43 175.80 2lfb h ARG 48 N -0.26 -0.51 -0.58 0.81 2.43 -0.85 0.28 114.38 115.69 2lfb h ARG 48 Ca 0.16 0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.47 2lfb h ARG 48 Cb 0.57 0.12 -0.08 0.00 -0.42 0.00 0.00 29.97 30.15 2lfb h ARG 48 CO -0.67 -0.34 0.13 0.00 -1.51 0.00 0.00 179.97 177.58 2lfb h ALA 49 N 0.10 0.69 -0.00 2.80 0.00 -0.82 0.35 119.26 122.38 2lfb h ALA 49 Ca -0.04 0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 2lfb h ALA 49 Cb 0.44 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2lfb h ALA 49 CO 0.04 -0.30 -0.72 1.49 0.00 0.00 0.00 179.25 179.76 2lfb h GLU 50 N 0.26 0.01 -0.28 0.00 4.57 0.04 0.66 114.58 119.84 2lfb h GLU 50 Ca 0.30 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.45 2lfb h GLU 50 Cb 0.44 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 2lfb h GLU 50 CO -0.38 0.73 0.07 0.00 -1.18 0.00 0.00 179.01 178.24 2lfb h ILE 52 N 0.28 1.15 0.00 0.00 2.04 0.05 0.35 117.51 121.39 2lfb h ILE 52 Ca 0.09 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.25 2lfb h ILE 52 Cb 0.28 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 2lfb h ILE 52 CO 0.00 0.21 0.00 0.00 0.00 0.00 0.00 178.15 178.36 2lfb n GLN 53 N -4.30 0.29 0.00 2.37 6.02 0.13 -3.44 117.38 118.45 2lfb n GLN 53 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2lfb n GLN 53 Cb 0.25 -1.02 0.00 0.00 1.02 0.00 0.00 30.24 30.49 2lfb n GLN 53 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2lfb n ARG 54 N -0.37 0.00 0.00 -1.09 1.74 -0.27 -5.06 116.66 111.62 2lfb n ARG 54 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2lfb n ARG 54 Cb 0.01 -0.19 0.00 0.00 -1.02 0.00 0.00 32.46 31.26 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 -0.26 1.83 1.09 -0.13 0.00 0.11 -5.12 105.19 102.70 2lfb n GLY 55 Ca 0.00 -0.47 0.11 0.00 0.00 0.00 0.00 46.02 45.66 2lfb n GLY 55 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2lfb n VAL 56 N 0.00 -0.21 -1.99 1.61 0.31 -1.25 -4.09 118.33 112.71 2lfb n VAL 56 Ca 0.00 0.40 -0.42 0.00 -0.01 0.00 0.00 64.34 64.31 2lfb n VAL 56 Cb 0.00 -0.70 -0.03 0.00 -0.91 0.00 0.00 33.84 32.20 2lfb n VAL 56 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2lfb s SER 57 N -5.86 6.48 0.22 4.52 0.01 -1.26 -4.89 113.70 112.92 2lfb s SER 57 Ca 0.00 2.06 -0.09 0.00 1.31 0.00 0.00 55.95 59.23 2lfb s SER 57 Cb 0.00 -2.53 0.24 0.00 0.21 0.00 0.00 66.02 63.94 2lfb s SER 57 CO 0.00 -1.11 1.83 1.55 0.41 0.00 0.00 173.24 175.93 2lfb h PRO 58 N 10.35 0.79 -0.29 12.44 0.13 -1.98 0.16 132.00 153.60 2lfb h PRO 58 Ca -0.38 -0.05 0.08 0.00 -0.87 0.00 0.00 66.00 64.78 2lfb h PRO 58 Cb 1.18 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 2lfb h PRO 58 CO 0.97 0.52 0.30 0.66 -0.23 0.00 0.00 178.00 180.22 2lfb h SER 59 N 0.82 0.00 -1.01 1.44 4.64 -1.98 -1.46 113.55 116.00 2lfb h SER 59 Ca 0.31 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 61.02 2lfb h SER 59 Cb 0.12 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 61.84 2lfb h SER 59 CO -0.15 0.00 -0.18 0.00 -0.87 0.00 0.00 176.83 175.63 2lfb n GLN 60 N -3.85 3.26 0.07 4.77 6.02 0.53 -4.71 117.38 123.46 2lfb n GLN 60 Ca 0.04 -3.91 0.07 0.00 -0.01 0.00 0.00 57.00 53.20 2lfb n GLN 60 Cb 0.45 -2.28 0.34 0.00 1.02 0.00 0.00 30.24 29.77 2lfb n GLN 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2lfb n ALA 61 N -0.73 1.38 1.58 -1.58 0.00 -0.55 -0.34 120.51 120.26 2lfb n ALA 61 Ca 0.50 0.05 0.13 0.00 0.00 0.00 0.00 53.44 54.12 2lfb n ALA 61 Cb 0.79 -1.23 0.76 0.00 0.00 0.00 0.00 19.45 19.77 2lfb n ALA 61 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2lfb n GLN 62 N -1.84 0.75 -0.30 0.00 1.13 -1.26 -4.21 117.38 111.65 2lfb n GLN 62 Ca 0.01 0.01 0.07 0.00 -1.94 0.00 0.00 57.00 55.15 2lfb n GLN 62 Cb 0.12 -1.50 0.21 0.00 0.11 0.00 0.00 30.24 29.18 2lfb n GLN 62 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2lfb n GLY 63 N 0.69 1.38 0.73 1.08 0.00 0.53 -4.64 105.19 104.97 2lfb n GLY 63 Ca 0.19 -0.50 -0.00 0.00 0.00 0.00 0.00 46.02 45.70 2lfb n GLY 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2lfb n LEU 64 N 0.72 1.89 0.00 0.99 4.32 -1.26 -4.85 117.00 118.81 2lfb n LEU 64 Ca 0.15 -0.95 0.00 0.00 -0.02 0.00 0.00 56.01 55.20 2lfb n LEU 64 Cb 0.47 -0.51 0.00 0.00 -1.62 0.00 0.00 43.42 41.77 2lfb n LEU 64 CO 0.12 0.36 0.00 0.61 -1.22 0.00 0.00 177.39 177.26 2lfb n GLY 65 N 0.18 0.00 0.11 -0.72 0.00 -1.26 -0.26 105.19 103.24 2lfb n GLY 65 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 2lfb n GLY 65 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2lfb h SER 66 N 0.00 -0.13 1.22 1.61 0.02 -1.99 -3.38 113.55 110.89 2lfb h SER 66 Ca 0.00 -0.42 -0.15 0.00 -0.84 0.00 0.00 61.79 60.38 2lfb h SER 66 Cb 0.00 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 2lfb h SER 66 CO 0.00 0.49 -0.81 0.78 -1.14 0.00 0.00 176.83 176.15 2lfb h ASN 67 N -0.88 0.00 -0.86 3.07 4.21 -1.00 -3.34 115.58 116.78 2lfb h ASN 67 Ca -0.02 0.00 -0.73 0.00 1.21 0.00 0.00 56.30 56.77 2lfb h ASN 67 Cb 0.55 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.77 2lfb h ASN 67 CO 0.03 0.66 0.41 -0.11 -1.29 0.00 0.00 177.43 177.12 2lfb n LEU 68 N -3.20 0.68 -4.72 1.61 7.94 -1.13 -4.89 117.00 113.28 2lfb n LEU 68 Ca -0.01 1.01 -0.42 0.00 -1.11 0.00 0.00 56.01 55.48 2lfb n LEU 68 Cb 0.81 -0.76 -0.04 0.00 0.53 0.00 0.00 43.42 43.96 2lfb n LEU 68 CO 0.43 -1.03 0.69 0.54 -1.11 0.00 0.00 177.39 176.90 2lfb s VAL 69 N 1.69 4.64 0.08 1.96 0.11 -1.26 -4.98 120.40 122.63 2lfb s VAL 69 Ca 0.86 2.02 0.07 0.00 -2.93 0.00 0.00 61.98 62.00 2lfb s VAL 69 Cb -1.22 -4.29 -0.04 0.00 -1.53 0.00 0.00 36.38 29.31 2lfb s VAL 69 CO 0.63 0.23 -0.14 0.42 -3.33 0.00 0.00 175.10 172.91 2lfb s THR 70 N 0.54 3.09 0.24 5.04 -4.23 -1.26 -4.97 115.64 114.09 2lfb s THR 70 Ca 0.50 -1.24 -0.07 0.00 -1.18 0.00 0.00 61.69 59.69 2lfb s THR 70 Cb -0.23 -2.39 0.28 0.00 1.34 0.00 0.00 72.50 71.50 2lfb s THR 70 CO 0.29 0.21 1.64 1.05 -0.54 0.00 0.00 174.62 177.27 2lfb h GLU 71 N 4.03 0.10 -0.07 3.99 -0.00 -1.98 0.12 114.58 120.77 2lfb h GLU 71 Ca -0.49 -0.01 0.02 0.00 -0.00 0.00 0.00 59.36 58.89 2lfb h GLU 71 Cb 1.16 -0.02 -0.00 0.00 -0.00 0.00 0.00 28.75 29.89 2lfb h GLU 71 CO 0.49 0.06 0.06 -0.24 -0.00 0.00 0.00 179.01 179.39 2lfb h VAL 72 N 0.10 0.76 -0.59 -1.06 3.04 -1.97 -0.29 116.25 116.24 2lfb h VAL 72 Ca 0.41 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 66.07 2lfb h VAL 72 Cb 0.71 0.96 -0.03 0.00 -2.01 0.00 0.00 31.29 30.92 2lfb h VAL 72 CO -0.66 0.00 0.26 0.03 -1.01 0.00 0.00 177.57 176.19 2lfb h ARG 73 N 0.00 0.86 -0.00 4.17 2.47 -1.17 0.95 114.38 121.66 2lfb h ARG 73 Ca 0.03 -0.14 0.03 0.00 -1.26 0.00 0.00 59.98 58.64 2lfb h ARG 73 Cb 0.16 -0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 28.29 2lfb h ARG 73 CO -0.00 0.72 -0.24 0.28 0.56 0.00 0.00 179.97 181.29 2lfb h VAL 74 N 0.80 0.46 -0.01 2.04 2.07 -1.12 -0.71 116.25 119.77 2lfb h VAL 74 Ca 0.20 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.72 2lfb h VAL 74 Cb 0.16 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2lfb h VAL 74 CO -0.02 0.00 0.01 0.22 0.02 0.00 0.00 177.57 177.80 2lfb h TYR 75 N -0.37 0.00 0.12 1.57 3.20 -0.44 -1.81 116.97 119.24 2lfb h TYR 75 Ca 0.06 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 2lfb h TYR 75 Cb 0.45 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.72 2lfb h TYR 75 CO -0.27 0.00 -0.06 -0.97 -1.64 0.00 0.00 178.16 175.22 2lfb h ASN 76 N 0.00 -0.13 -0.50 -2.11 -0.73 0.19 0.27 115.58 112.57 2lfb h ASN 76 Ca 0.00 -0.36 -0.01 0.00 1.87 0.00 0.00 56.30 57.81 2lfb h ASN 76 Cb 0.02 0.03 -0.02 0.00 0.27 0.00 0.00 38.32 38.62 2lfb h ASN 76 CO -0.00 0.48 0.28 4.11 -0.37 0.00 0.00 177.43 181.93 2lfb h TRP 77 N -0.94 0.67 -0.12 0.67 5.08 -1.03 -0.10 115.95 120.17 2lfb h TRP 77 Ca -0.02 -0.01 -0.00 0.00 1.08 0.00 0.00 58.89 59.94 2lfb h TRP 77 Cb 0.49 -0.22 -0.01 0.00 -3.00 0.00 0.00 29.16 26.42 2lfb h TRP 77 CO 0.09 0.48 0.06 0.74 -1.28 0.00 0.00 178.44 178.54 2lfb h PHE 78 N 0.66 0.17 -0.18 0.12 0.04 -1.38 0.40 116.94 116.77 2lfb h PHE 78 Ca 0.18 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.99 2lfb h PHE 78 Cb 0.03 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 2lfb h PHE 78 CO -0.02 0.21 0.18 0.00 -0.60 0.00 0.00 178.31 178.08 2lfb h ALA 79 N 0.94 1.86 -2.29 2.45 0.00 -0.14 0.14 119.26 122.22 2lfb h ALA 79 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2lfb h ALA 79 Cb 0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2lfb h ALA 79 CO -0.01 -0.27 0.00 -1.71 0.00 0.00 0.00 179.25 177.26 2lfb n ASN 80 N -3.94 0.00 -0.36 0.00 5.15 -0.08 -4.10 115.26 111.94 2lfb n ASN 80 Ca 0.01 0.25 0.02 0.00 -0.60 0.00 0.00 54.58 54.27 2lfb n ASN 80 Cb 0.30 -0.12 0.08 0.00 -0.53 0.00 0.00 39.78 39.52 2lfb n ASN 80 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 2lfb h ARG 81 N 0.00 -0.01 -0.30 1.20 9.65 0.51 0.63 114.38 126.06 2lfb h ARG 81 Ca 0.00 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.82 2lfb h ARG 81 Cb 0.00 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 2lfb h ARG 81 CO 0.00 -0.01 -0.09 0.07 2.80 0.00 0.00 179.97 182.75 2lfb h ARG 82 N -0.01 0.49 -0.01 0.20 -0.00 -0.98 -0.36 114.38 113.71 2lfb h ARG 82 Ca 0.40 -0.13 -0.19 0.00 -0.00 0.00 0.00 59.98 60.06 2lfb h ARG 82 Cb 0.65 -0.06 -0.01 0.00 -0.00 0.00 0.00 29.97 30.55 2lfb h ARG 82 CO -0.98 0.59 -0.84 -0.22 -0.00 0.00 0.00 179.97 178.52 2lfb h LYS 83 N 0.46 0.18 -0.80 0.08 1.63 -0.15 -1.26 116.57 116.71 2lfb h LYS 83 Ca 0.09 -0.18 0.11 0.00 -0.85 0.00 0.00 60.65 59.82 2lfb h LYS 83 Cb 0.44 0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 32.04 2lfb h LYS 83 CO 0.02 0.91 0.42 1.49 -3.45 0.00 0.00 179.45 178.84 2lfb h GLU 84 N 0.10 0.64 0.52 1.90 4.81 0.92 0.26 114.58 123.73 2lfb h GLU 84 Ca -0.04 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 2lfb h GLU 84 Cb 1.45 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 30.69 2lfb h GLU 84 CO 0.13 0.42 -0.25 1.49 -0.73 0.00 0.00 179.01 180.07 2lfb h GLU 85 N 0.66 -0.67 -0.83 1.92 4.81 -0.97 -1.24 114.58 118.26 2lfb h GLU 85 Ca 0.41 0.05 0.16 0.00 -0.13 0.00 0.00 59.36 59.84 2lfb h GLU 85 Cb 0.48 0.15 -0.10 0.00 0.63 0.00 0.00 28.75 29.91 2lfb h GLU 85 CO -0.30 -0.37 0.39 0.00 -0.73 0.00 0.00 179.01 178.01 2lfb h ALA 86 N -0.78 1.25 0.16 2.92 0.00 -0.75 0.27 119.26 122.32 2lfb h ALA 86 Ca -0.07 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2lfb h ALA 86 Cb 0.61 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2lfb h ALA 86 CO 0.12 -0.16 -0.17 0.35 0.00 0.00 0.00 179.25 179.39 2lfb h PHE 87 N 0.54 -0.47 -0.98 0.00 3.57 -0.52 -2.89 116.94 116.20 2lfb h PHE 87 Ca 0.47 0.00 0.27 0.00 3.53 0.00 0.00 57.97 62.24 2lfb h PHE 87 Cb 0.71 0.18 -0.13 0.00 2.79 0.00 0.00 35.95 39.50 2lfb h PHE 87 CO -0.12 -0.22 0.53 -0.09 -2.23 0.00 0.00 178.31 176.19 2lfb h ARG 88 N -0.33 0.43 -0.44 1.11 9.65 -0.12 -0.58 114.38 124.10 2lfb h ARG 88 Ca -0.02 -0.03 -0.13 0.00 -1.10 0.00 0.00 59.98 58.70 2lfb h ARG 88 Cb 0.29 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.76 2lfb h ARG 88 CO -0.02 0.29 -0.24 1.25 2.80 0.00 0.00 179.97 184.05 2lfb h HIS 89 N 0.45 1.05 0.00 2.20 2.76 -0.35 -3.12 115.15 118.13 2lfb h HIS 89 Ca 0.66 -0.26 -0.18 0.00 -2.20 0.00 0.00 60.37 58.39 2lfb h HIS 89 Cb 1.34 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 30.03 2lfb h HIS 89 CO -0.04 1.05 -1.89 1.63 -1.30 0.00 0.00 177.93 177.37 2lfb n LYS 90 N -4.10 0.65 0.00 5.26 5.02 -1.00 -4.85 118.16 119.14 2lfb n LYS 90 Ca -0.00 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 2lfb n LYS 90 Cb 0.46 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 2lfb n LYS 90 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2lfb n LEU 91 N -2.64 0.00 -3.51 -0.35 4.32 -0.26 -2.23 117.00 112.33 2lfb n LEU 91 Ca -0.15 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.58 2lfb n LEU 91 Cb 0.85 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.69 2lfb n LEU 91 CO 0.44 -0.30 0.09 0.00 -1.22 0.00 0.00 177.39 176.39 2lfb n ALA 92 N -3.00 -1.17 0.00 -1.18 0.00 -1.22 -4.55 120.51 109.39 2lfb n ALA 92 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2lfb n ALA 92 Cb 0.00 -4.31 0.00 0.00 0.00 0.00 0.00 19.45 15.14 2lfb n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2lfb n MET 93 N -4.43 0.00 -3.98 0.00 -0.00 -1.26 -5.02 117.12 102.42 2lfb n MET 93 Ca -0.02 0.00 -0.34 0.00 -0.00 0.00 0.00 57.70 57.35 2lfb n MET 93 Cb 0.56 0.00 0.01 0.00 -0.00 0.00 0.00 33.22 33.79 2lfb n MET 93 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2lfb n ASP 94 N 0.00 -2.71 -0.18 3.17 8.00 -1.26 -4.85 116.55 118.71 2lfb n ASP 94 Ca 0.00 -0.94 -0.08 0.00 0.71 0.00 0.00 54.79 54.48 2lfb n ASP 94 Cb 0.00 -1.13 0.01 0.00 -0.02 0.00 0.00 41.12 39.98 2lfb n ASP 94 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2lfb h THR 95 N -1.04 1.22 -3.59 -3.53 2.02 -1.77 -3.46 112.91 102.76 2lfb h THR 95 Ca -0.51 -0.68 -0.05 0.00 0.77 0.00 0.00 66.41 65.94 2lfb h THR 95 Cb 1.01 0.69 -0.08 0.00 -1.74 0.00 0.00 68.15 68.02 2lfb h THR 95 CO 0.38 0.26 -0.08 -0.31 0.37 0.00 0.00 175.52 176.14 2lfb s TYR 96 N -5.54 0.33 0.23 3.16 2.02 -1.26 -5.07 117.35 111.22 2lfb s TYR 96 Ca -0.13 -0.71 -0.06 0.00 -0.37 0.00 0.00 57.07 55.80 2lfb s TYR 96 Cb 0.12 0.24 0.36 0.00 -0.40 0.00 0.00 41.96 42.29 2lfb s TYR 96 CO 0.78 -1.04 1.76 1.57 -1.57 0.00 0.00 175.55 177.06 2lfb h LYS 97 N 2.22 0.54 -6.73 -0.62 2.10 -1.99 -3.47 116.57 108.61 2lfb h LYS 97 Ca -0.26 -0.03 -0.55 0.00 -2.00 0.00 0.00 60.65 57.81 2lfb h LYS 97 Cb 1.25 -0.12 -0.11 0.00 -0.90 0.00 0.00 32.23 32.35 2lfb h LYS 97 CO 0.34 0.35 -0.92 -0.11 -2.00 0.00 0.00 179.45 177.11 2lfb n LEU 98 N -4.90 -1.70 0.00 7.07 7.94 -1.26 -5.13 117.00 119.01 2lfb n LEU 98 Ca 0.12 -1.12 0.00 0.00 -1.11 0.00 0.00 56.01 53.89 2lfb n LEU 98 Cb 0.31 -1.96 0.00 0.00 0.53 0.00 0.00 43.42 42.29 2lfb n LEU 98 CO 0.23 0.46 0.10 0.59 -1.11 0.00 0.00 177.39 177.66