#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 2.88 -2.27 3.04 0.00 -1.26 -5.04 120.51 117.87 2lfb n ALA 1 Ca 0.00 -3.36 -0.43 0.00 0.00 0.00 0.00 53.44 49.65 2lfb n ALA 1 Cb 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.66 2lfb n ALA 1 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2lfb n ARG 2 N 2.43 3.41 -1.76 0.00 1.85 -1.26 -4.96 116.66 116.37 2lfb n ARG 2 Ca 0.27 -3.34 -0.42 0.00 -1.00 0.00 0.00 57.85 53.36 2lfb n ARG 2 Cb 0.47 -3.04 -0.03 0.00 -1.05 0.00 0.00 32.46 28.81 2lfb n ARG 2 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 177.63 176.12 2lfb s ILE 3 N 1.27 3.19 0.02 8.89 1.10 -1.26 -4.88 121.20 129.53 2lfb s ILE 3 Ca 0.42 0.18 -0.30 0.00 -0.51 0.00 0.00 60.65 60.44 2lfb s ILE 3 Cb 0.09 -3.29 -0.07 0.00 0.15 0.00 0.00 42.46 39.34 2lfb s ILE 3 CO -0.01 -0.21 1.62 -0.62 -2.11 0.00 0.00 174.94 173.60 2lfb s ASP 4 N 8.11 6.66 -0.05 4.50 -1.08 -1.26 -4.88 116.67 128.67 2lfb s ASP 4 Ca 0.91 2.34 0.00 0.00 -0.52 0.00 0.00 52.55 55.29 2lfb s ASP 4 Cb -0.26 -2.55 0.07 0.00 -1.46 0.00 0.00 42.92 38.72 2lfb s ASP 4 CO 0.32 -0.87 1.07 -0.81 0.52 0.00 0.00 175.17 175.39 2lfb n PRO 5 N 6.11 1.15 -3.07 4.34 -0.04 -1.26 -4.81 135.00 137.41 2lfb n PRO 5 Ca 0.16 -0.31 -0.23 0.00 -0.04 0.00 0.00 63.50 63.08 2lfb n PRO 5 Cb 0.42 -1.15 0.04 0.00 -0.04 0.00 0.00 33.50 32.76 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 0.31 -2.01 -2.42 0.52 -2.24 -1.26 -4.87 114.28 102.31 2lfb n THR 6 Ca 0.06 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.87 2lfb n THR 6 Cb 0.61 -3.43 0.05 0.00 -2.10 0.00 0.00 70.33 65.46 2lfb n THR 6 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2lfb n LYS 7 N -4.08 0.52 -1.18 -0.78 4.76 -1.26 -4.98 118.16 111.15 2lfb n LYS 7 Ca -0.10 -2.42 -0.20 0.00 -2.87 0.00 0.00 58.31 52.72 2lfb n LYS 7 Cb 0.61 -0.47 -0.05 0.00 -1.84 0.00 0.00 35.03 33.28 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 0.12 2.08 0.00 1.97 0.00 -1.26 -4.50 118.16 116.57 2lfb n LYS 8 Ca 0.09 -1.73 0.00 0.00 -0.00 0.00 0.00 58.31 56.67 2lfb n LYS 8 Cb 1.04 -1.91 0.00 0.00 -0.00 0.00 0.00 35.03 34.16 2lfb n LYS 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2lfb n GLY 9 N 1.11 -1.39 3.61 2.58 0.00 -1.26 -4.90 105.19 104.94 2lfb n GLY 9 Ca 0.40 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.15 2lfb n GLY 9 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2lfb n ARG 10 N -1.87 -0.85 -1.90 1.61 0.00 -1.26 -4.89 116.66 107.50 2lfb n ARG 10 Ca 0.00 0.09 -0.39 0.00 -0.00 0.00 0.00 57.85 57.54 2lfb n ARG 10 Cb 0.00 -2.99 0.01 0.00 -0.00 0.00 0.00 32.46 29.48 2lfb n ARG 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2lfb s ARG 11 N -5.42 3.71 0.06 2.89 3.00 -1.26 -4.73 118.95 117.20 2lfb s ARG 11 Ca 0.42 2.28 0.00 0.00 -1.00 0.00 0.00 55.73 57.43 2lfb s ARG 11 Cb -0.24 -2.63 0.00 0.00 0.00 0.00 0.00 34.95 32.08 2lfb s ARG 11 CO 0.69 -0.75 0.00 -1.71 0.00 0.00 0.00 175.30 173.53 2lfb n ASN 12 N -0.21 -0.56 0.07 -2.12 2.85 -1.26 -4.99 115.26 109.05 2lfb n ASN 12 Ca 0.05 0.25 -0.12 0.00 -0.11 0.00 0.00 54.58 54.66 2lfb n ASN 12 Cb 0.43 0.74 -0.05 0.00 1.24 0.00 0.00 39.78 42.15 2lfb n ASN 12 CO 0.00 0.00 0.00 0.08 -2.11 0.00 0.00 177.26 175.23 2lfb h ARG 13 N 0.00 -0.41 -6.48 1.20 0.11 -2.01 -3.38 114.38 103.41 2lfb h ARG 13 Ca 0.00 0.03 -0.53 0.00 0.10 0.00 0.00 59.98 59.58 2lfb h ARG 13 Cb 0.00 0.09 0.03 0.00 1.11 0.00 0.00 29.97 31.20 2lfb h ARG 13 CO 0.00 -0.28 1.02 0.12 0.10 0.00 0.00 179.97 180.93 2lfb s PHE 14 N -6.05 2.40 -0.04 4.08 5.36 -1.26 -4.97 117.98 117.51 2lfb s PHE 14 Ca -0.15 0.26 0.01 0.00 -0.96 0.00 0.00 56.93 56.08 2lfb s PHE 14 Cb 0.09 -4.02 0.02 0.00 -0.34 0.00 0.00 43.02 38.77 2lfb s PHE 14 CO 0.66 -4.09 -0.05 -1.59 -1.46 0.00 0.00 175.22 168.69 2lfb s LYS 15 N 2.55 0.74 0.39 10.12 -2.85 -1.26 -4.99 119.74 124.44 2lfb s LYS 15 Ca 0.75 -0.12 -0.26 0.00 -1.00 0.00 0.00 55.97 55.35 2lfb s LYS 15 Cb -0.42 -0.75 -0.09 0.00 -2.06 0.00 0.00 37.83 34.52 2lfb s LYS 15 CO 0.33 -0.04 1.24 -1.58 0.10 0.00 0.00 175.35 175.40 2lfb s TRP 16 N 0.71 2.97 0.85 1.78 0.52 -1.26 -4.87 118.94 119.63 2lfb s TRP 16 Ca -0.09 1.48 -0.12 0.00 0.02 0.00 0.00 56.10 57.39 2lfb s TRP 16 Cb -0.12 -3.54 0.10 0.00 -1.15 0.00 0.00 33.47 28.76 2lfb s TRP 16 CO 0.00 -1.69 1.13 0.20 0.02 0.00 0.00 176.95 176.61 2lfb s GLY 17 N -0.89 1.59 0.50 0.98 0.00 -1.26 -4.95 107.32 103.29 2lfb s GLY 17 Ca 0.56 -0.46 0.18 0.00 0.00 0.00 0.00 44.72 45.00 2lfb s GLY 17 CO 0.45 0.05 2.07 -0.56 0.00 0.00 0.00 173.10 175.10 2lfb h PRO 18 N -1.27 0.10 0.03 2.90 0.13 -2.00 -3.10 132.00 128.80 2lfb h PRO 18 Ca -0.49 -0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 64.49 2lfb h PRO 18 Cb 1.31 -0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.43 2lfb h PRO 18 CO 0.62 0.07 -0.61 0.00 -0.23 0.00 0.00 178.00 177.85 2lfb h ALA 19 N 1.86 0.03 -0.75 -0.56 0.00 -1.92 -3.24 119.26 114.67 2lfb h ALA 19 Ca 0.13 -0.59 0.22 0.00 0.00 0.00 0.00 54.91 54.66 2lfb h ALA 19 Cb 0.37 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2lfb h ALA 19 CO -0.01 0.32 0.56 0.66 0.00 0.00 0.00 179.25 180.78 2lfb h SER 20 N -0.23 0.00 -0.71 0.00 4.64 -1.85 0.18 113.55 115.58 2lfb h SER 20 Ca -0.09 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.31 2lfb h SER 20 Cb 1.36 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.40 2lfb h SER 20 CO 0.12 0.00 0.47 1.56 -0.87 0.00 0.00 176.83 178.11 2lfb h GLN 21 N 0.00 0.66 -0.57 4.77 1.08 -1.69 0.14 115.11 119.50 2lfb h GLN 21 Ca 0.36 -0.04 0.11 0.00 -1.45 0.00 0.00 58.65 57.62 2lfb h GLN 21 Cb 1.48 -0.15 -0.08 0.00 -0.05 0.00 0.00 27.48 28.68 2lfb h GLN 21 CO -0.00 0.44 0.09 0.37 -0.95 0.00 0.00 178.83 178.78 2lfb h GLN 22 N 0.68 0.21 -0.24 1.46 5.75 -1.16 0.55 115.11 122.37 2lfb h GLN 22 Ca 0.32 -0.01 -0.15 0.00 -0.15 0.00 0.00 58.65 58.66 2lfb h GLN 22 Cb 0.36 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 2lfb h GLN 22 CO -0.11 0.14 -0.45 0.82 -2.65 0.00 0.00 178.83 176.58 2lfb h ILE 23 N 0.22 1.30 -0.01 2.39 5.03 -0.94 0.13 117.51 125.64 2lfb h ILE 23 Ca 0.29 -1.65 0.02 0.00 -0.12 0.00 0.00 64.86 63.41 2lfb h ILE 23 Cb 0.44 1.61 -0.03 0.00 -3.03 0.00 0.00 36.82 35.81 2lfb h ILE 23 CO -0.40 0.52 -0.12 -0.07 -0.68 0.00 0.00 178.15 177.40 2lfb h LEU 24 N 0.50 -0.35 -0.47 1.44 3.38 -0.08 -2.81 115.31 116.92 2lfb h LEU 24 Ca 0.03 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.07 2lfb h LEU 24 Cb 0.99 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 2lfb h LEU 24 CO 0.09 -0.17 0.29 -0.26 0.09 0.00 0.00 178.44 178.48 2lfb h PHE 25 N -0.20 0.55 0.00 1.13 0.04 -0.68 -0.28 116.94 117.51 2lfb h PHE 25 Ca 0.05 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.83 2lfb h PHE 25 Cb 0.26 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.23 2lfb h PHE 25 CO -0.18 0.33 0.09 -0.56 -0.60 0.00 0.00 178.31 177.39 2lfb h GLN 26 N 0.59 0.00 0.00 1.51 3.07 -0.71 -0.55 115.11 119.02 2lfb h GLN 26 Ca 0.18 0.00 -0.29 0.00 0.09 0.00 0.00 58.65 58.63 2lfb h GLN 26 Cb -0.02 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.49 2lfb h GLN 26 CO -0.07 0.00 -2.02 0.00 0.09 0.00 0.00 178.83 176.84 2lfb n ALA 27 N -1.79 1.75 -0.30 0.06 0.00 -1.06 -4.67 120.51 114.49 2lfb n ALA 27 Ca -0.02 -0.74 0.25 0.00 0.00 0.00 0.00 53.44 52.94 2lfb n ALA 27 Cb 0.13 0.21 0.56 0.00 0.00 0.00 0.00 19.45 20.35 2lfb n ALA 27 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2lfb h TYR 28 N -0.45 0.49 -0.23 0.00 3.20 -0.19 0.34 116.97 120.13 2lfb h TYR 28 Ca -0.44 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.47 2lfb h TYR 28 Cb 1.47 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 39.57 2lfb h TYR 28 CO -0.03 0.06 -0.14 -1.91 -1.64 0.00 0.00 178.16 174.50 2lfb n GLU 29 N -4.51 -0.10 -0.01 1.82 2.13 -0.30 -4.12 120.64 115.54 2lfb n GLU 29 Ca 0.24 0.83 -0.01 0.00 0.66 0.00 0.00 57.16 58.89 2lfb n GLU 29 Cb 0.92 -1.24 -0.00 0.00 0.27 0.00 0.00 31.44 31.39 2lfb n GLU 29 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2lfb h ARG 30 N 0.00 0.00 -4.92 5.31 3.08 -0.77 -3.46 114.38 113.62 2lfb h ARG 30 Ca 0.04 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.40 2lfb h ARG 30 Cb 0.10 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 29.96 2lfb h ARG 30 CO -0.22 0.00 -0.06 -0.65 -1.07 0.00 0.00 179.97 177.97 2lfb s GLN 31 N -1.21 3.12 0.00 0.04 -0.21 0.59 -4.87 119.66 117.12 2lfb s GLN 31 Ca -0.02 -0.84 0.17 0.00 0.02 0.00 0.00 55.36 54.69 2lfb s GLN 31 Cb 0.00 -4.04 0.30 0.00 1.00 0.00 0.00 33.01 30.27 2lfb s GLN 31 CO 0.04 -1.07 1.22 1.63 -2.12 0.00 0.00 175.29 174.99 2lfb n LYS 32 N 5.91 2.09 -4.89 2.91 5.02 -1.26 -3.55 118.16 124.39 2lfb n LYS 32 Ca -0.07 -1.94 -0.28 0.00 -2.02 0.00 0.00 58.31 54.00 2lfb n LYS 32 Cb 0.46 -1.38 -0.17 0.00 -0.02 0.00 0.00 35.03 33.92 2lfb n LYS 32 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2lfb s ASN 33 N -1.25 2.40 -0.73 4.39 2.20 -1.26 -4.87 114.94 115.81 2lfb s ASN 33 Ca 0.28 -0.42 -0.26 0.00 -0.94 0.00 0.00 52.86 51.52 2lfb s ASN 33 Cb 0.17 -1.10 -0.01 0.00 -2.00 0.00 0.00 41.25 38.31 2lfb s ASN 33 CO 0.24 0.09 1.70 -2.16 -2.94 0.00 0.00 177.10 174.03 2lfb s PRO 34 N 0.50 2.83 0.00 3.55 0.04 -1.26 -4.90 135.00 135.77 2lfb s PRO 34 Ca -0.17 0.10 0.00 0.00 0.04 0.00 0.00 61.00 60.97 2lfb s PRO 34 Cb -0.17 -4.54 0.00 0.00 0.04 0.00 0.00 34.50 29.83 2lfb s PRO 34 CO 0.06 -2.66 0.69 0.45 0.04 0.00 0.00 177.00 175.58 2lfb n SER 35 N 11.83 0.00 0.00 6.66 2.88 -1.26 -4.90 113.62 128.82 2lfb n SER 35 Ca 0.21 0.71 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 2lfb n SER 35 Cb 0.50 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 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 -1.23 0.00 -0.17 -1.46 4.81 -1.26 -4.99 118.16 113.86 2lfb n LYS 36 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 2lfb n LYS 36 Cb 0.00 0.00 0.08 0.00 0.02 0.00 0.00 35.03 35.13 2lfb n LYS 36 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2lfb h GLU 37 N 0.00 0.27 -0.15 1.64 3.07 -2.01 0.33 114.58 117.73 2lfb h GLU 37 Ca 0.00 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.86 2lfb h GLU 37 Cb 0.00 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.83 2lfb h GLU 37 CO 0.00 0.18 -0.09 -1.91 -1.40 0.00 0.00 179.01 175.79 2lfb n GLU 38 N -5.09 -0.07 0.11 2.33 2.13 -1.26 -0.99 120.64 117.80 2lfb n GLU 38 Ca 0.07 0.28 -0.13 0.00 0.66 0.00 0.00 57.16 58.03 2lfb n GLU 38 Cb 0.26 -0.42 -0.07 0.00 0.27 0.00 0.00 31.44 31.48 2lfb n GLU 38 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2lfb h ARG 39 N 0.00 -0.19 0.16 5.31 3.08 -0.69 0.27 114.38 122.32 2lfb h ARG 39 Ca 0.02 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.10 2lfb h ARG 39 Cb 0.06 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2lfb h ARG 39 CO -0.14 -0.12 -0.23 0.93 -1.07 0.00 0.00 179.97 179.34 2lfb h GLU 40 N -0.21 -0.43 -0.62 0.04 3.07 -1.11 0.06 114.58 115.38 2lfb h GLU 40 Ca -0.02 0.03 0.08 0.00 -0.50 0.00 0.00 59.36 58.95 2lfb h GLU 40 Cb 0.16 0.10 -0.11 0.00 -0.84 0.00 0.00 28.75 28.07 2lfb h GLU 40 CO 0.03 -0.29 -0.48 1.15 -1.40 0.00 0.00 179.01 178.02 2lfb h THR 41 N -0.45 0.05 -0.18 1.13 2.02 -0.95 -1.69 112.91 112.85 2lfb h THR 41 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 2lfb h THR 41 Cb 0.45 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2lfb h THR 41 CO -0.10 0.00 0.11 -0.07 0.37 0.00 0.00 175.52 175.84 2lfb h LEU 42 N -0.22 0.21 -0.31 2.58 3.38 0.49 0.13 115.31 121.57 2lfb h LEU 42 Ca 0.16 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2lfb h LEU 42 Cb 0.55 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2lfb h LEU 42 CO -0.72 0.17 0.18 0.58 0.09 0.00 0.00 178.44 178.74 2lfb h VAL 43 N 0.23 1.11 0.46 1.22 2.07 -0.77 0.14 116.25 120.72 2lfb h VAL 43 Ca 0.07 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2lfb h VAL 43 Cb -0.01 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2lfb h VAL 43 CO -0.01 0.11 -0.23 -0.08 0.02 0.00 0.00 177.57 177.38 2lfb h GLU 44 N 0.39 -0.61 -0.82 1.57 4.57 -0.76 0.80 114.58 119.72 2lfb h GLU 44 Ca 0.11 0.04 0.14 0.00 -1.18 0.00 0.00 59.36 58.47 2lfb h GLU 44 Cb 0.02 0.14 -0.09 0.00 -0.16 0.00 0.00 28.75 28.66 2lfb h GLU 44 CO -0.02 -0.41 0.42 0.93 -1.18 0.00 0.00 179.01 178.75 2lfb h GLU 45 N -0.63 0.59 0.08 1.92 4.39 -0.79 0.17 114.58 120.31 2lfb h GLU 45 Ca -0.06 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.62 2lfb h GLU 45 Cb 0.49 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.97 2lfb h GLU 45 CO 0.10 0.39 -0.28 0.00 -1.16 0.00 0.00 179.01 178.07 2lfb h ASN 47 N -0.47 0.09 0.04 0.00 2.35 0.13 0.24 115.58 117.98 2lfb h ASN 47 Ca 0.04 0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.84 2lfb h ASN 47 Cb 0.51 0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.85 2lfb h ASN 47 CO -0.19 0.08 -0.41 -0.09 -1.65 0.00 0.00 177.43 175.17 2lfb h ARG 48 N 0.19 -0.57 -0.48 0.81 2.43 -0.64 0.16 114.38 116.27 2lfb h ARG 48 Ca 0.10 0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.36 2lfb h ARG 48 Cb 0.07 0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.70 2lfb h ARG 48 CO -0.10 -0.38 0.21 0.00 -1.51 0.00 0.00 179.97 178.18 2lfb h ALA 49 N -0.06 0.60 -0.55 2.80 0.00 -0.44 0.25 119.26 121.86 2lfb h ALA 49 Ca 0.04 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2lfb h ALA 49 Cb 0.66 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2lfb h ALA 49 CO -0.29 -0.17 0.12 1.49 0.00 0.00 0.00 179.25 180.41 2lfb h GLU 50 N 0.41 0.86 -0.16 0.00 4.57 -0.04 0.14 114.58 120.35 2lfb h GLU 50 Ca 0.22 -0.18 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 2lfb h GLU 50 Cb 0.19 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 2lfb h GLU 50 CO -0.20 0.78 -0.06 0.00 -1.18 0.00 0.00 179.01 178.36 2lfb h ILE 52 N 0.02 1.14 -1.07 0.00 2.04 -0.48 0.63 117.51 119.78 2lfb h ILE 52 Ca 0.04 -0.68 0.29 0.00 1.00 0.00 0.00 64.86 65.50 2lfb h ILE 52 Cb 0.51 1.35 -0.08 0.00 -0.74 0.00 0.00 36.82 37.86 2lfb h ILE 52 CO 0.02 0.20 0.71 -0.61 0.00 0.00 0.00 178.15 178.47 2lfb h GLN 53 N 0.02 0.26 -0.61 2.37 4.15 -0.72 0.78 115.11 121.36 2lfb h GLN 53 Ca 0.00 -0.02 -0.43 0.00 0.77 0.00 0.00 58.65 58.98 2lfb h GLN 53 Cb 0.35 -0.06 -0.41 0.00 0.21 0.00 0.00 27.48 27.57 2lfb h GLN 53 CO 0.02 0.17 -0.92 0.54 -1.93 0.00 0.00 178.83 176.72 2lfb n ARG 54 N -4.50 2.88 0.00 1.69 3.00 0.08 -5.05 116.66 114.76 2lfb n ARG 54 Ca 0.25 -3.90 0.00 0.00 -0.01 0.00 0.00 57.85 54.19 2lfb n ARG 54 Cb 0.98 -2.01 0.00 0.00 0.00 0.00 0.00 32.46 31.43 2lfb n ARG 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2lfb n GLY 55 N -0.67 0.58 1.52 -0.13 0.00 0.27 -4.94 105.19 101.81 2lfb n GLY 55 Ca 0.30 0.51 0.05 0.00 0.00 0.00 0.00 46.02 46.88 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 0.00 -1.91 1.61 0.31 -1.21 -3.42 118.33 113.70 2lfb n VAL 56 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 2lfb n VAL 56 Cb 0.00 -0.13 -0.03 0.00 -0.91 0.00 0.00 33.84 32.77 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 -3.16 6.37 0.32 4.52 0.01 -1.26 -4.89 113.70 115.61 2lfb s SER 57 Ca 0.00 2.10 0.05 0.00 1.31 0.00 0.00 55.95 59.40 2lfb s SER 57 Cb 0.00 -2.53 0.67 0.00 0.21 0.00 0.00 66.02 64.37 2lfb s SER 57 CO 0.00 -1.19 1.86 1.55 0.41 0.00 0.00 173.24 175.87 2lfb h PRO 58 N 10.86 0.84 0.00 12.44 0.13 -1.96 0.59 132.00 154.90 2lfb h PRO 58 Ca -0.40 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2lfb h PRO 58 Cb 1.19 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2lfb h PRO 58 CO 0.97 0.56 0.00 -1.13 -0.23 0.00 0.00 178.00 178.16 2lfb n SER 59 N -4.57 0.00 -2.62 1.44 3.41 -1.26 -3.38 113.62 106.64 2lfb n SER 59 Ca 0.17 -0.71 -0.12 0.00 -0.26 0.00 0.00 58.87 57.95 2lfb n SER 59 Cb 0.38 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.35 2lfb n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2lfb n GLN 60 N -0.84 1.81 0.00 4.33 6.02 0.20 -4.91 117.38 123.99 2lfb n GLN 60 Ca 0.09 -3.58 0.03 0.00 -0.01 0.00 0.00 57.00 53.53 2lfb n GLN 60 Cb 0.04 -1.55 0.19 0.00 1.02 0.00 0.00 30.24 29.94 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 -0.27 1.79 0.20 -1.58 0.00 -1.22 -1.39 120.51 118.04 2lfb n ALA 61 Ca 0.16 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.63 2lfb n ALA 61 Cb 0.80 -1.11 0.39 0.00 0.00 0.00 0.00 19.45 19.53 2lfb n ALA 61 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2lfb h GLN 62 N 0.00 0.00 -0.20 0.00 7.50 -1.91 -3.38 115.11 117.11 2lfb h GLN 62 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2lfb h GLN 62 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 2lfb h GLN 62 CO 0.00 0.33 0.00 0.41 -1.50 0.00 0.00 178.83 178.07 2lfb n GLY 63 N 0.12 -0.21 1.31 3.46 0.00 -0.49 -4.22 105.19 105.17 2lfb n GLY 63 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.32 3.80 0.00 0.99 4.32 -1.26 -4.92 117.00 119.61 2lfb n LEU 64 Ca 0.00 -1.95 0.00 0.00 -0.02 0.00 0.00 56.01 54.04 2lfb n LEU 64 Cb 0.05 -0.62 0.00 0.00 -1.62 0.00 0.00 43.42 41.24 2lfb n LEU 64 CO 0.00 0.55 0.00 0.61 -1.22 0.00 0.00 177.39 177.33 2lfb n GLY 65 N 0.09 0.51 0.17 -0.72 0.00 -1.26 -0.14 105.19 103.85 2lfb n GLY 65 Ca 0.19 0.29 -0.18 0.00 0.00 0.00 0.00 46.02 46.32 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 0.71 0.71 1.61 0.02 -1.97 -3.35 113.55 111.28 2lfb h SER 66 Ca 0.00 -0.71 0.00 0.00 -0.84 0.00 0.00 61.79 60.24 2lfb h SER 66 Cb 0.00 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.33 2lfb h SER 66 CO 0.00 1.32 -0.41 0.59 -1.14 0.00 0.00 176.83 177.18 2lfb n ASN 67 N -4.09 0.46 -4.55 3.07 4.13 0.80 -4.91 115.26 110.17 2lfb n ASN 67 Ca -0.10 0.00 -0.52 0.00 1.68 0.00 0.00 54.58 55.65 2lfb n ASN 67 Cb 0.72 0.05 -0.05 0.00 -1.54 0.00 0.00 39.78 38.96 2lfb n ASN 67 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 2lfb n LEU 68 N -1.66 0.95 -4.56 3.41 7.94 -1.13 -4.89 117.00 117.05 2lfb n LEU 68 Ca 0.05 1.14 -0.41 0.00 -1.11 0.00 0.00 56.01 55.68 2lfb n LEU 68 Cb 0.36 -1.12 -0.08 0.00 0.53 0.00 0.00 43.42 43.11 2lfb n LEU 68 CO 0.34 -1.54 0.20 -0.69 -1.11 0.00 0.00 177.39 174.58 2lfb s VAL 69 N -0.08 5.05 0.38 1.96 1.01 -1.26 -5.03 120.40 122.43 2lfb s VAL 69 Ca 0.79 0.37 0.07 0.00 0.00 0.00 0.00 61.98 63.21 2lfb s VAL 69 Cb -0.97 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 31.47 2lfb s VAL 69 CO 0.52 -0.16 0.45 0.42 0.00 0.00 0.00 175.10 176.33 2lfb s THR 70 N 2.33 3.29 0.25 3.92 -4.23 -1.26 -4.90 115.64 115.05 2lfb s THR 70 Ca 0.18 -1.15 -0.10 0.00 -1.18 0.00 0.00 61.69 59.44 2lfb s THR 70 Cb -0.16 -3.14 0.38 0.00 1.34 0.00 0.00 72.50 70.93 2lfb s THR 70 CO 0.13 -0.07 1.46 -0.62 -0.54 0.00 0.00 174.62 174.97 2lfb n GLU 71 N -1.63 -0.12 0.24 3.99 -0.58 -1.26 -0.68 120.64 120.61 2lfb n GLU 71 Ca 0.03 1.46 0.07 0.00 -0.42 0.00 0.00 57.16 58.30 2lfb n GLU 71 Cb 0.60 -2.18 0.57 0.00 -0.57 0.00 0.00 31.44 29.86 2lfb n GLU 71 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 2lfb h VAL 72 N 0.00 1.06 0.36 2.62 3.04 -1.98 -1.72 116.25 119.63 2lfb h VAL 72 Ca 0.42 -0.30 -0.01 0.00 -1.01 0.00 0.00 66.70 65.81 2lfb h VAL 72 Cb 0.66 1.16 -0.01 0.00 -2.01 0.00 0.00 31.29 31.08 2lfb h VAL 72 CO -0.96 0.09 -0.27 0.03 -1.01 0.00 0.00 177.57 175.44 2lfb h ARG 73 N 0.01 -0.61 -0.31 4.17 -0.00 -1.29 0.25 114.38 116.59 2lfb h ARG 73 Ca 0.00 0.04 -0.02 0.00 -0.50 0.00 0.00 59.98 59.50 2lfb h ARG 73 Cb 0.15 0.14 -0.01 0.00 0.00 0.00 0.00 29.97 30.25 2lfb h ARG 73 CO 0.01 -0.41 0.12 -0.24 0.00 0.00 0.00 179.97 179.46 2lfb h VAL 74 N -0.63 1.19 -0.18 2.04 3.04 -1.49 0.10 116.25 120.32 2lfb h VAL 74 Ca -0.03 -0.57 0.05 0.00 -1.01 0.00 0.00 66.70 65.14 2lfb h VAL 74 Cb 0.55 0.98 -0.05 0.00 -2.01 0.00 0.00 31.29 30.75 2lfb h VAL 74 CO -0.00 0.20 -0.17 0.22 -1.01 0.00 0.00 177.57 176.80 2lfb h TYR 75 N 0.36 -0.44 -0.24 3.17 3.20 -1.22 -1.39 116.97 120.41 2lfb h TYR 75 Ca 0.10 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.02 2lfb h TYR 75 Cb 0.20 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 2lfb h TYR 75 CO -0.00 -0.25 0.10 -0.97 -1.64 0.00 0.00 178.16 175.40 2lfb h ASN 76 N -0.19 0.13 0.09 -2.11 -0.73 -0.14 0.93 115.58 113.55 2lfb h ASN 76 Ca 0.11 0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.30 2lfb h ASN 76 Cb 0.36 -0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.95 2lfb h ASN 76 CO -0.29 0.11 -0.04 4.11 -0.37 0.00 0.00 177.43 180.94 2lfb h TRP 77 N 0.22 -0.11 -0.31 0.67 5.08 -0.40 0.46 115.95 121.55 2lfb h TRP 77 Ca 0.10 -0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.06 2lfb h TRP 77 Cb 0.05 0.04 -0.01 0.00 -3.00 0.00 0.00 29.16 26.23 2lfb h TRP 77 CO -0.11 0.04 0.15 0.74 -1.28 0.00 0.00 178.44 177.98 2lfb h PHE 78 N -0.24 0.44 -0.72 0.12 0.04 -1.12 0.20 116.94 115.66 2lfb h PHE 78 Ca -0.01 -0.02 0.18 0.00 2.80 0.00 0.00 57.97 60.91 2lfb h PHE 78 Cb 0.20 -0.14 -0.04 0.00 2.20 0.00 0.00 35.95 38.18 2lfb h PHE 78 CO -0.03 0.39 0.50 0.00 -0.60 0.00 0.00 178.31 178.57 2lfb h ALA 79 N 1.00 2.38 0.05 2.45 0.00 -0.68 0.11 119.26 124.57 2lfb h ALA 79 Ca 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2lfb h ALA 79 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2lfb h ALA 79 CO -0.01 -0.59 -0.02 -0.97 0.00 0.00 0.00 179.25 177.66 2lfb h ASN 80 N 0.20 -0.05 -0.24 0.00 -0.00 0.21 -1.67 115.58 114.03 2lfb h ASN 80 Ca 0.35 -0.58 0.04 0.00 -0.00 0.00 0.00 56.30 56.12 2lfb h ASN 80 Cb 1.09 0.01 -0.04 0.00 -0.00 0.00 0.00 38.32 39.39 2lfb h ASN 80 CO -0.07 0.59 -0.02 0.03 -0.00 0.00 0.00 177.43 177.96 2lfb h ARG 81 N -0.74 0.05 -0.39 6.67 2.47 -0.11 0.27 114.38 122.60 2lfb h ARG 81 Ca -0.01 -0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.64 2lfb h ARG 81 Cb 0.63 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.92 2lfb h ARG 81 CO 0.01 0.03 -0.05 0.07 0.56 0.00 0.00 179.97 180.59 2lfb h ARG 82 N 0.05 0.64 0.00 0.04 -0.00 -1.08 0.26 114.38 114.30 2lfb h ARG 82 Ca 0.12 -0.17 -0.24 0.00 -0.00 0.00 0.00 59.98 59.68 2lfb h ARG 82 Cb 0.16 -0.07 0.01 0.00 -0.00 0.00 0.00 29.97 30.07 2lfb h ARG 82 CO -0.21 0.70 -0.99 -0.22 -0.00 0.00 0.00 179.97 179.25 2lfb h LYS 83 N 0.60 0.53 -0.63 0.08 1.63 -0.85 0.67 116.57 118.60 2lfb h LYS 83 Ca 0.12 -0.57 0.10 0.00 -0.85 0.00 0.00 60.65 59.44 2lfb h LYS 83 Cb 0.46 0.16 -0.07 0.00 -0.60 0.00 0.00 32.23 32.17 2lfb h LYS 83 CO 0.02 1.20 0.24 1.49 -3.45 0.00 0.00 179.45 178.95 2lfb h GLU 84 N 0.30 0.40 0.75 1.90 4.81 -0.23 0.32 114.58 122.83 2lfb h GLU 84 Ca -0.10 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 2lfb h GLU 84 Cb 1.63 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 30.93 2lfb h GLU 84 CO 0.18 0.27 -0.36 1.49 -0.73 0.00 0.00 179.01 179.86 2lfb h GLU 85 N 0.42 -0.96 -0.60 1.92 4.81 -0.33 -1.62 114.58 118.22 2lfb h GLU 85 Ca 0.32 0.07 0.08 0.00 -0.13 0.00 0.00 59.36 59.69 2lfb h GLU 85 Cb 0.41 0.22 -0.06 0.00 0.63 0.00 0.00 28.75 29.94 2lfb h GLU 85 CO -0.32 -0.63 0.26 0.00 -0.73 0.00 0.00 179.01 177.60 2lfb h ALA 86 N -0.88 0.78 0.48 2.92 0.00 -0.60 0.18 119.26 122.14 2lfb h ALA 86 Ca -0.10 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2lfb h ALA 86 Cb 0.78 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2lfb h ALA 86 CO 0.17 -0.13 -0.35 0.35 0.00 0.00 0.00 179.25 179.30 2lfb h PHE 87 N 0.48 -0.94 -0.25 0.00 3.04 -0.22 0.22 116.94 119.27 2lfb h PHE 87 Ca 0.29 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.30 2lfb h PHE 87 Cb 0.29 0.35 -0.07 0.00 2.56 0.00 0.00 35.95 39.08 2lfb h PHE 87 CO -0.13 -0.50 -0.18 -0.09 -2.02 0.00 0.00 178.31 175.39 2lfb h ARG 88 N -0.79 -0.17 0.00 1.11 2.43 -1.12 -1.03 114.38 114.82 2lfb h ARG 88 Ca -0.06 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2lfb h ARG 88 Cb 0.65 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2lfb h ARG 88 CO 0.03 -0.11 -0.01 1.25 -1.51 0.00 0.00 179.97 179.62 2lfb h HIS 89 N -0.17 0.00 -0.00 2.20 2.76 -0.44 0.10 115.15 119.60 2lfb h HIS 89 Ca 0.14 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 2lfb h HIS 89 Cb 0.39 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.35 2lfb h HIS 89 CO -0.35 0.01 -0.02 1.17 -1.30 0.00 0.00 177.93 177.44 2lfb n LYS 90 N -3.15 0.06 0.00 5.26 3.00 0.75 -4.83 118.16 119.24 2lfb n LYS 90 Ca -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 2lfb n LYS 90 Cb 0.17 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.70 2lfb n LYS 90 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 2lfb n LEU 91 N -1.47 0.00 -2.10 3.14 -0.00 -0.09 -5.03 117.00 111.45 2lfb n LEU 91 Ca 0.08 0.00 -0.16 0.00 -0.00 0.00 0.00 56.01 55.93 2lfb n LEU 91 Cb 0.33 0.08 -0.03 0.00 -0.00 0.00 0.00 43.42 43.80 2lfb n LEU 91 CO 0.27 -0.10 -0.19 0.00 -0.00 0.00 0.00 177.39 177.37 2lfb n ALA 92 N -1.30 -0.55 -2.71 1.47 0.00 0.17 -4.79 120.51 112.80 2lfb n ALA 92 Ca 0.00 0.18 -0.07 0.00 0.00 0.00 0.00 53.44 53.54 2lfb n ALA 92 Cb 0.00 -1.77 0.11 0.00 0.00 0.00 0.00 19.45 17.79 2lfb n ALA 92 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2lfb n MET 93 N -2.63 1.13 0.14 0.00 0.00 -1.26 -4.95 117.12 109.55 2lfb n MET 93 Ca -0.18 -1.82 0.00 0.00 -0.00 0.00 0.00 57.70 55.70 2lfb n MET 93 Cb 0.61 -0.27 0.00 0.00 0.00 0.00 0.00 33.22 33.56 2lfb n MET 93 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2lfb n ASP 94 N -0.37 -2.48 -4.16 6.12 2.03 -1.26 -5.15 116.55 111.28 2lfb n ASP 94 Ca -0.01 0.73 -0.13 0.00 0.52 0.00 0.00 54.79 55.89 2lfb n ASP 94 Cb 0.81 2.50 -0.11 0.00 -0.72 0.00 0.00 41.12 43.61 2lfb n ASP 94 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2lfb s THR 95 N -1.95 0.84 0.69 5.18 -4.23 -1.26 -5.16 115.64 109.74 2lfb s THR 95 Ca 0.00 -1.64 -0.12 0.00 -1.18 0.00 0.00 61.69 58.75 2lfb s THR 95 Cb 0.00 -1.34 0.17 0.00 1.34 0.00 0.00 72.50 72.66 2lfb s THR 95 CO 0.00 -0.61 0.74 0.00 -0.54 0.00 0.00 174.62 174.21 2lfb n TYR 96 N 0.53 -3.75 -0.13 3.99 9.36 -1.26 -4.38 117.16 121.51 2lfb n TYR 96 Ca -0.16 -0.66 -0.05 0.00 3.32 0.00 0.00 57.90 60.35 2lfb n TYR 96 Cb 0.58 -0.67 0.14 0.00 -0.63 0.00 0.00 39.34 38.76 2lfb n TYR 96 CO 0.00 0.00 0.00 1.57 0.22 0.00 0.00 176.86 178.65 2lfb h LYS 97 N 0.00 0.86 -6.15 2.98 2.10 -1.96 -3.44 116.57 110.96 2lfb h LYS 97 Ca -0.26 -0.23 -0.27 0.00 -2.00 0.00 0.00 60.65 57.90 2lfb h LYS 97 Cb 0.75 -0.10 0.01 0.00 -0.90 0.00 0.00 32.23 31.99 2lfb h LYS 97 CO 0.17 0.84 -0.98 1.47 -2.00 0.00 0.00 179.45 178.95 2lfb n LEU 98 N -4.22 -4.28 0.00 7.07 -0.00 -1.26 -4.70 117.00 109.61 2lfb n LEU 98 Ca 0.03 0.05 0.04 0.00 -0.00 0.00 0.00 56.01 56.13 2lfb n LEU 98 Cb 0.30 -2.19 0.21 0.00 -0.00 0.00 0.00 43.42 41.74 2lfb n LEU 98 CO 0.42 -0.77 0.44 0.59 -0.00 0.00 0.00 177.39 178.07