#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 -0.90 -1.56 3.17 0.00 -1.26 -5.13 120.51 114.83 2lfb n ALA 1 Ca 0.00 -1.58 0.07 0.00 0.00 0.00 0.00 53.44 51.93 2lfb n ALA 1 Cb 0.00 -1.30 -0.04 0.00 0.00 0.00 0.00 19.45 18.11 2lfb n ALA 1 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2lfb n ARG 2 N 2.19 -3.92 -1.88 0.00 1.74 -1.26 -4.71 116.66 108.82 2lfb n ARG 2 Ca 0.15 3.10 -0.42 0.00 -0.77 0.00 0.00 57.85 59.91 2lfb n ARG 2 Cb 0.58 -4.09 -0.03 0.00 -1.02 0.00 0.00 32.46 27.91 2lfb n ARG 2 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2lfb s ILE 3 N -5.01 3.03 -0.30 0.55 -1.16 -1.26 -4.98 121.20 112.07 2lfb s ILE 3 Ca 0.00 0.41 -0.05 0.00 -0.51 0.00 0.00 60.65 60.50 2lfb s ILE 3 Cb 0.00 -3.26 0.18 0.00 0.61 0.00 0.00 42.46 39.98 2lfb s ILE 3 CO 0.00 -0.01 0.69 -0.62 -2.81 0.00 0.00 174.94 172.19 2lfb s ASP 4 N 2.74 -1.18 -1.54 4.50 -1.08 -1.26 -5.06 116.67 113.79 2lfb s ASP 4 Ca 0.76 0.92 -0.10 0.00 -0.52 0.00 0.00 52.55 53.61 2lfb s ASP 4 Cb -0.40 2.06 -0.02 0.00 -1.46 0.00 0.00 42.92 43.09 2lfb s ASP 4 CO 0.33 -0.22 2.69 -0.81 0.52 0.00 0.00 175.17 177.68 2lfb n PRO 5 N 5.41 3.63 0.25 4.34 -0.04 -1.26 -4.63 135.00 142.71 2lfb n PRO 5 Ca -0.04 -2.50 -0.16 0.00 -0.04 0.00 0.00 63.50 60.76 2lfb n PRO 5 Cb 0.51 -2.89 -0.08 0.00 -0.04 0.00 0.00 33.50 31.00 2lfb n PRO 5 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2lfb h THR 6 N 3.20 0.47 -0.15 0.52 1.35 -2.00 -3.44 112.91 112.86 2lfb h THR 6 Ca 0.77 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 66.65 2lfb h THR 6 Cb 0.38 0.47 -0.15 0.00 -1.73 0.00 0.00 68.15 67.11 2lfb h THR 6 CO 1.77 0.00 -0.11 -1.59 -0.25 0.00 0.00 175.52 175.34 2lfb s LYS 7 N -6.08 0.16 -1.37 4.72 -2.85 -1.26 -4.99 119.74 108.07 2lfb s LYS 7 Ca -0.16 -0.16 -0.10 0.00 -1.00 0.00 0.00 55.97 54.55 2lfb s LYS 7 Cb 0.05 -0.01 0.01 0.00 -2.06 0.00 0.00 37.83 35.83 2lfb s LYS 7 CO 0.63 -0.20 0.19 0.36 0.10 0.00 0.00 175.35 176.44 2lfb n LYS 8 N 2.61 -0.73 -3.90 1.78 2.85 -1.26 -1.21 118.16 118.30 2lfb n LYS 8 Ca 0.11 0.06 -0.33 0.00 -1.05 0.00 0.00 58.31 57.10 2lfb n LYS 8 Cb 0.65 -3.04 0.01 0.00 -0.65 0.00 0.00 35.03 32.00 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 -2.37 -0.67 3.28 2.58 0.00 -1.26 -1.87 105.19 104.88 2lfb n GLY 9 Ca -0.25 0.32 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 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 -4.48 -2.21 -2.22 1.61 1.85 -0.35 -4.87 116.66 105.99 2lfb n ARG 10 Ca -0.18 0.10 -0.39 0.00 -1.00 0.00 0.00 57.85 56.39 2lfb n ARG 10 Cb 0.62 -4.64 -0.01 0.00 -1.05 0.00 0.00 32.46 27.37 2lfb n ARG 10 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2lfb s ARG 11 N -5.86 4.01 0.02 2.89 3.00 -0.78 -4.77 118.95 117.47 2lfb s ARG 11 Ca 0.32 1.92 0.00 0.00 -1.00 0.00 0.00 55.73 56.98 2lfb s ARG 11 Cb -0.19 -2.69 0.00 0.00 0.00 0.00 0.00 34.95 32.08 2lfb s ARG 11 CO 0.39 -0.38 0.00 0.09 0.00 0.00 0.00 175.30 175.40 2lfb n ASN 12 N 0.06 -0.19 -0.13 -2.12 4.13 -1.26 -4.94 115.26 110.81 2lfb n ASN 12 Ca 0.04 0.05 -0.04 0.00 1.68 0.00 0.00 54.58 56.31 2lfb n ASN 12 Cb 0.46 0.56 0.04 0.00 -1.54 0.00 0.00 39.78 39.30 2lfb n ASN 12 CO 0.00 0.00 0.00 0.08 0.28 0.00 0.00 177.26 177.62 2lfb h ARG 13 N 0.00 0.17 -5.99 3.52 0.11 -1.97 -3.39 114.38 106.83 2lfb h ARG 13 Ca 0.00 -0.01 -0.51 0.00 0.10 0.00 0.00 59.98 59.56 2lfb h ARG 13 Cb 0.00 -0.04 -0.09 0.00 1.11 0.00 0.00 29.97 30.96 2lfb h ARG 13 CO 0.00 0.11 1.29 0.12 0.10 0.00 0.00 179.97 181.59 2lfb s PHE 14 N -6.16 2.33 0.16 4.08 5.36 -1.26 -4.94 117.98 117.54 2lfb s PHE 14 Ca -0.13 -0.42 -0.32 0.00 -0.96 0.00 0.00 56.93 55.10 2lfb s PHE 14 Cb 0.14 -4.51 -0.10 0.00 -0.34 0.00 0.00 43.02 38.21 2lfb s PHE 14 CO 0.72 -1.88 1.57 -1.59 -1.46 0.00 0.00 175.22 172.58 2lfb s LYS 15 N 5.55 4.21 0.08 10.12 -2.85 -1.26 -4.97 119.74 130.62 2lfb s LYS 15 Ca 0.53 2.36 -0.34 0.00 -1.00 0.00 0.00 55.97 57.51 2lfb s LYS 15 Cb -0.02 -3.18 -0.18 0.00 -2.06 0.00 0.00 37.83 32.39 2lfb s LYS 15 CO -0.07 -0.61 1.60 -1.49 0.10 0.00 0.00 175.35 174.87 2lfb h TRP 16 N 6.89 -1.09 0.00 1.78 4.06 -1.98 -3.46 115.95 122.14 2lfb h TRP 16 Ca -0.43 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.51 2lfb h TRP 16 Cb 1.20 0.39 0.00 0.00 -1.00 0.00 0.00 29.16 29.76 2lfb h TRP 16 CO 0.66 -0.62 0.00 0.41 -3.56 0.00 0.00 178.44 175.33 2lfb n GLY 17 N -1.55 -0.69 0.14 1.49 0.00 -1.26 -4.39 105.19 98.95 2lfb n GLY 17 Ca -0.13 -1.58 -0.12 0.00 0.00 0.00 0.00 46.02 44.19 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 0.40 0.13 1.61 0.13 -1.98 -0.69 132.00 131.61 2lfb h PRO 18 Ca 0.00 -0.14 0.02 0.00 -0.87 0.00 0.00 66.00 65.01 2lfb h PRO 18 Cb 0.00 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.07 2lfb h PRO 18 CO 0.00 0.61 -0.27 0.00 -0.23 0.00 0.00 178.00 178.11 2lfb h ALA 19 N 0.77 -0.47 -0.72 -0.56 0.00 -2.01 -0.71 119.26 115.56 2lfb h ALA 19 Ca 0.06 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.05 2lfb h ALA 19 Cb 0.45 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 18.58 2lfb h ALA 19 CO 0.02 -0.82 0.28 1.03 0.00 0.00 0.00 179.25 179.76 2lfb h SER 20 N -0.50 0.26 0.59 0.00 0.87 -1.72 0.18 113.55 113.23 2lfb h SER 20 Ca 0.03 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 2lfb h SER 20 Cb 0.52 0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.56 2lfb h SER 20 CO -0.15 0.11 -0.04 1.56 -0.53 0.00 0.00 176.83 177.78 2lfb h GLN 21 N 0.43 0.00 -0.34 2.24 4.20 0.06 -2.29 115.11 119.42 2lfb h GLN 21 Ca 0.39 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.97 2lfb h GLN 21 Cb 0.57 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 2lfb h GLN 21 CO -0.39 0.04 -0.31 -0.56 -0.67 0.00 0.00 178.83 176.94 2lfb h GLN 22 N 0.00 0.73 -0.14 1.46 3.07 0.45 0.68 115.11 121.36 2lfb h GLN 22 Ca -0.00 -0.33 0.00 0.00 0.09 0.00 0.00 58.65 58.41 2lfb h GLN 22 Cb 0.34 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 27.88 2lfb h GLN 22 CO 0.00 0.95 0.09 0.82 0.09 0.00 0.00 178.83 180.78 2lfb h ILE 23 N 0.62 1.05 -0.32 1.86 5.03 -1.39 -0.44 117.51 123.93 2lfb h ILE 23 Ca 0.07 -0.11 0.03 0.00 -0.12 0.00 0.00 64.86 64.73 2lfb h ILE 23 Cb 0.83 0.86 -0.03 0.00 -3.03 0.00 0.00 36.82 35.46 2lfb h ILE 23 CO 0.07 0.05 0.13 -0.07 -0.68 0.00 0.00 178.15 177.65 2lfb h LEU 24 N 0.18 0.17 0.17 1.44 3.38 -1.10 -0.30 115.31 119.25 2lfb h LEU 24 Ca 0.05 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2lfb h LEU 24 Cb -0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2lfb h LEU 24 CO -0.01 0.14 -0.17 -0.26 0.09 0.00 0.00 178.44 178.22 2lfb h PHE 25 N 0.29 -0.45 -0.69 1.13 -1.00 -0.70 -0.39 116.94 115.13 2lfb h PHE 25 Ca 0.14 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.89 2lfb h PHE 25 Cb 0.09 0.18 -0.03 0.00 3.61 0.00 0.00 35.95 39.79 2lfb h PHE 25 CO -0.12 -0.26 0.29 -0.56 -1.61 0.00 0.00 178.31 176.05 2lfb h GLN 26 N -0.37 1.00 0.04 1.51 3.07 -0.83 0.74 115.11 120.26 2lfb h GLN 26 Ca 0.00 -0.16 0.01 0.00 0.09 0.00 0.00 58.65 58.60 2lfb h GLN 26 Cb 0.35 -0.18 -0.01 0.00 0.08 0.00 0.00 27.48 27.72 2lfb h GLN 26 CO -0.04 0.80 -0.08 0.00 0.09 0.00 0.00 178.83 179.59 2lfb h ALA 27 N 1.33 -0.12 -0.68 0.06 0.00 -0.86 -0.84 119.26 118.15 2lfb h ALA 27 Ca 0.23 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.27 2lfb h ALA 27 Cb 0.16 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.00 2lfb h ALA 27 CO -0.02 -0.59 0.20 -0.92 0.00 0.00 0.00 179.25 177.92 2lfb h TYR 28 N -0.16 0.34 -0.79 0.00 5.03 0.06 0.14 116.97 121.59 2lfb h TYR 28 Ca 0.02 0.04 -0.04 0.00 2.58 0.00 0.00 58.73 61.33 2lfb h TYR 28 Cb 0.19 -0.04 -0.03 0.00 1.55 0.00 0.00 36.73 38.39 2lfb h TYR 28 CO -0.13 -0.00 0.32 1.05 -1.32 0.00 0.00 178.16 178.08 2lfb h GLU 29 N 0.33 1.17 0.15 1.82 4.11 -0.51 -3.20 114.58 118.46 2lfb h GLU 29 Ca 0.37 -0.21 -0.01 0.00 0.07 0.00 0.00 59.36 59.59 2lfb h GLU 29 Cb 0.57 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2lfb h GLU 29 CO -0.42 0.94 -0.07 -0.09 0.07 0.00 0.00 179.01 179.44 2lfb h ARG 30 N 1.14 -0.20 -0.80 1.06 2.43 -0.16 -3.46 114.38 114.40 2lfb h ARG 30 Ca 0.26 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.48 2lfb h ARG 30 Cb 0.21 0.04 -0.19 0.00 -0.42 0.00 0.00 29.97 29.60 2lfb h ARG 30 CO -0.02 0.14 -0.32 1.14 -1.51 0.00 0.00 179.97 179.40 2lfb s GLN 31 N -2.77 0.56 0.00 0.20 -2.07 -0.06 -5.03 119.66 110.49 2lfb s GLN 31 Ca -0.09 0.11 0.05 0.00 -1.82 0.00 0.00 55.36 53.61 2lfb s GLN 31 Cb -0.00 0.14 0.31 0.00 -1.09 0.00 0.00 33.01 32.37 2lfb s GLN 31 CO 0.33 -0.90 0.75 0.36 -1.32 0.00 0.00 175.29 174.52 2lfb n LYS 32 N 4.77 0.46 -2.92 9.60 0.00 -1.21 -4.22 118.16 124.64 2lfb n LYS 32 Ca 0.08 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.96 2lfb n LYS 32 Cb 0.57 -1.18 -0.04 0.00 -0.00 0.00 0.00 35.03 34.38 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 -1.71 6.25 -1.34 -5.58 2.20 -1.26 -4.99 114.94 108.51 2lfb s ASN 33 Ca 0.08 -0.72 -0.17 0.00 -0.94 0.00 0.00 52.86 51.11 2lfb s ASN 33 Cb 0.04 -2.40 0.04 0.00 -2.00 0.00 0.00 41.25 36.93 2lfb s ASN 33 CO 0.06 -1.23 1.98 -0.81 -2.94 0.00 0.00 177.10 174.17 2lfb n PRO 34 N 7.24 2.89 0.05 3.55 -0.04 -1.26 -4.82 135.00 142.61 2lfb n PRO 34 Ca -0.02 -2.87 -0.02 0.00 -0.04 0.00 0.00 63.50 60.55 2lfb n PRO 34 Cb 0.46 -3.39 -0.01 0.00 -0.04 0.00 0.00 33.50 30.53 2lfb n PRO 34 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2lfb h SER 35 N 6.95 -0.11 0.00 3.54 0.02 -1.88 -3.47 113.55 118.60 2lfb h SER 35 Ca 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 2lfb h SER 35 Cb 0.76 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2lfb h SER 35 CO 1.67 -0.07 0.00 1.17 -1.14 0.00 0.00 176.83 178.46 2lfb n LYS 36 N -2.37 0.00 -0.19 3.45 4.81 -1.26 -4.93 118.16 117.67 2lfb n LYS 36 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 2lfb n LYS 36 Cb 0.05 0.00 0.10 0.00 0.02 0.00 0.00 35.03 35.20 2lfb n LYS 36 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2lfb h GLU 37 N 0.00 0.26 -3.02 1.64 4.81 -1.99 -2.16 114.58 114.12 2lfb h GLU 37 Ca 0.00 -0.02 -0.45 0.00 -0.13 0.00 0.00 59.36 58.76 2lfb h GLU 37 Cb 0.00 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.33 2lfb h GLU 37 CO 0.00 0.17 2.57 -1.91 -0.73 0.00 0.00 179.01 179.11 2lfb n GLU 38 N -5.12 2.65 0.17 1.92 4.07 -1.26 -0.63 120.64 122.44 2lfb n GLU 38 Ca 0.08 -1.63 0.00 0.00 -0.06 0.00 0.00 57.16 55.56 2lfb n GLU 38 Cb 0.31 -2.48 0.00 0.00 -0.06 0.00 0.00 31.44 29.21 2lfb n GLU 38 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2lfb n ARG 39 N 3.63 0.00 -0.22 5.31 1.74 -0.84 -4.24 116.66 122.05 2lfb n ARG 39 Ca 0.56 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.64 2lfb n ARG 39 Cb 0.29 0.00 0.11 0.00 -1.02 0.00 0.00 32.46 31.84 2lfb n ARG 39 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2lfb h GLU 40 N 0.00 0.54 -0.67 5.56 3.07 -1.14 0.45 114.58 122.39 2lfb h GLU 40 Ca 0.00 -0.03 0.09 0.00 -0.50 0.00 0.00 59.36 58.91 2lfb h GLU 40 Cb 0.00 -0.12 -0.11 0.00 -0.84 0.00 0.00 28.75 27.68 2lfb h GLU 40 CO 0.00 0.36 -0.49 1.15 -1.40 0.00 0.00 179.01 178.63 2lfb h THR 41 N 0.55 0.04 -0.73 1.13 2.02 -1.14 -0.64 112.91 114.15 2lfb h THR 41 Ca 0.31 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.44 2lfb h THR 41 Cb 0.30 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.72 2lfb h THR 41 CO -0.25 0.00 0.25 -0.07 0.37 0.00 0.00 175.52 175.83 2lfb h LEU 42 N -0.20 1.04 -0.11 2.58 4.07 -0.41 0.21 115.31 122.49 2lfb h LEU 42 Ca 0.17 -0.20 -0.02 0.00 0.08 0.00 0.00 57.88 57.91 2lfb h LEU 42 Cb 0.54 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 42.01 2lfb h LEU 42 CO -0.75 0.96 -0.03 0.58 -1.08 0.00 0.00 178.44 178.12 2lfb h VAL 43 N 1.07 1.29 0.30 1.22 2.07 -0.67 0.29 116.25 121.81 2lfb h VAL 43 Ca 0.24 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 2lfb h VAL 43 Cb 0.27 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 2lfb h VAL 43 CO -0.01 0.27 -0.45 -0.08 0.02 0.00 0.00 177.57 177.31 2lfb h GLU 44 N -0.12 -0.77 -0.78 1.57 4.57 -0.78 0.13 114.58 118.40 2lfb h GLU 44 Ca 0.03 0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.31 2lfb h GLU 44 Cb 0.44 0.17 -0.06 0.00 -0.16 0.00 0.00 28.75 29.14 2lfb h GLU 44 CO 0.01 -0.51 0.47 1.49 -1.18 0.00 0.00 179.01 179.29 2lfb h GLU 45 N -0.79 0.84 0.77 1.92 4.57 -0.61 0.16 114.58 121.44 2lfb h GLU 45 Ca -0.04 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.06 2lfb h GLU 45 Cb 0.73 -0.19 0.01 0.00 -0.16 0.00 0.00 28.75 29.13 2lfb h GLU 45 CO -0.14 0.56 -0.37 0.00 -1.18 0.00 0.00 179.01 177.88 2lfb h ASN 47 N -1.07 -1.57 -0.32 0.00 -0.26 -0.13 0.13 115.58 112.36 2lfb h ASN 47 Ca -0.11 0.29 0.07 0.00 -0.56 0.00 0.00 56.30 55.99 2lfb h ASN 47 Cb 0.79 0.76 -0.08 0.00 -1.06 0.00 0.00 38.32 38.73 2lfb h ASN 47 CO 0.17 -0.29 -0.34 -0.09 -1.06 0.00 0.00 177.43 175.82 2lfb h ARG 48 N -0.07 -0.29 -0.33 0.81 2.43 -0.72 0.38 114.38 116.57 2lfb h ARG 48 Ca 0.26 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.49 2lfb h ARG 48 Cb 0.55 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.12 2lfb h ARG 48 CO -0.87 -0.20 0.07 0.00 -1.51 0.00 0.00 179.97 177.46 2lfb h ALA 49 N 0.61 0.35 -0.22 2.80 0.00 0.40 -0.21 119.26 122.98 2lfb h ALA 49 Ca 0.15 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2lfb h ALA 49 Cb 0.55 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2lfb h ALA 49 CO -0.49 -0.34 -0.04 0.93 0.00 0.00 0.00 179.25 179.31 2lfb h GLU 50 N 0.18 0.34 -0.23 0.00 4.39 -0.22 -0.05 114.58 118.99 2lfb h GLU 50 Ca 0.16 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.76 2lfb h GLU 50 Cb 0.17 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 2lfb h GLU 50 CO -0.21 0.40 -0.00 0.00 -1.16 0.00 0.00 179.01 178.04 2lfb h ILE 52 N 0.33 0.85 -0.68 0.00 2.04 0.45 0.30 117.51 120.80 2lfb h ILE 52 Ca 0.08 -0.68 0.14 0.00 1.00 0.00 0.00 64.86 65.40 2lfb h ILE 52 Cb 0.23 1.24 -0.11 0.00 -0.74 0.00 0.00 36.82 37.44 2lfb h ILE 52 CO 0.01 0.15 0.10 1.56 0.00 0.00 0.00 178.15 179.96 2lfb h GLN 53 N -0.66 0.20 -0.39 2.37 4.20 0.03 -0.65 115.11 120.21 2lfb h GLN 53 Ca -0.03 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 2lfb h GLN 53 Cb 0.47 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 2lfb h GLN 53 CO 0.05 0.13 0.02 0.54 -0.67 0.00 0.00 178.83 178.90 2lfb n ARG 54 N -5.21 3.46 -4.43 1.46 1.74 0.08 -4.97 116.66 108.79 2lfb n ARG 54 Ca 0.12 -2.97 -0.40 0.00 -0.77 0.00 0.00 57.85 53.82 2lfb n ARG 54 Cb 0.41 -1.99 -0.06 0.00 -1.02 0.00 0.00 32.46 29.79 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 -0.40 3.84 -0.13 0.00 -0.25 -4.92 105.19 103.11 2lfb n GLY 55 Ca 0.25 0.10 -0.32 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.33 4.33 -0.10 1.61 1.01 0.94 -4.99 120.40 119.87 2lfb s VAL 56 Ca 0.75 1.00 -0.34 0.00 0.00 0.00 0.00 61.98 63.40 2lfb s VAL 56 Cb -0.43 -3.63 -0.11 0.00 0.00 0.00 0.00 36.38 32.21 2lfb s VAL 56 CO 1.00 -0.75 1.91 -1.20 0.00 0.00 0.00 175.10 176.06 2lfb n SER 57 N -2.08 3.42 -0.33 3.32 7.64 -1.26 -4.69 113.62 119.63 2lfb n SER 57 Ca 0.07 0.92 0.17 0.00 1.01 0.00 0.00 58.87 61.04 2lfb n SER 57 Cb 0.54 -1.38 0.37 0.00 -1.01 0.00 0.00 64.21 62.73 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 9.64 0.44 -0.71 1.43 0.13 -1.94 0.26 132.00 141.25 2lfb h PRO 58 Ca -0.47 -0.03 0.14 0.00 -0.87 0.00 0.00 66.00 64.77 2lfb h PRO 58 Cb 1.27 -0.10 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2lfb h PRO 58 CO 0.95 0.29 0.48 0.66 -0.23 0.00 0.00 178.00 180.16 2lfb h SER 59 N 0.46 0.37 -0.50 1.44 4.64 -2.02 -0.49 113.55 117.44 2lfb h SER 59 Ca 0.63 0.02 -0.25 0.00 -0.47 0.00 0.00 61.79 61.72 2lfb h SER 59 Cb 1.26 -0.06 -0.15 0.00 -0.31 0.00 0.00 62.40 63.15 2lfb h SER 59 CO -0.53 0.20 0.09 0.00 -0.87 0.00 0.00 176.83 175.72 2lfb n GLN 60 N -4.47 2.03 0.00 4.77 6.02 0.77 -4.67 117.38 121.83 2lfb n GLN 60 Ca 0.13 -3.13 0.03 0.00 -0.01 0.00 0.00 57.00 54.02 2lfb n GLN 60 Cb 0.50 -1.91 0.15 0.00 1.02 0.00 0.00 30.24 30.01 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 -1.07 1.31 1.85 -1.58 0.00 -0.19 -0.43 120.51 120.39 2lfb n ALA 61 Ca 0.39 -0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.86 2lfb n ALA 61 Cb 1.18 -1.11 0.32 0.00 0.00 0.00 0.00 19.45 19.84 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 -1.52 0.92 -2.51 0.00 1.13 -1.26 -4.23 117.38 109.91 2lfb n GLN 62 Ca 0.02 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.79 2lfb n GLN 62 Cb 0.08 -1.18 -0.00 0.00 0.11 0.00 0.00 30.24 29.24 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 0.58 5.89 1.94 1.08 0.00 0.43 -4.79 105.19 110.32 2lfb n GLY 63 Ca 0.08 -2.74 -0.05 0.00 0.00 0.00 0.00 46.02 43.31 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 -0.43 5.86 0.00 0.99 4.77 -1.26 -5.00 117.00 121.92 2lfb n LEU 64 Ca 0.39 -3.04 0.00 0.00 -0.03 0.00 0.00 56.01 53.33 2lfb n LEU 64 Cb 0.56 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2lfb n LEU 64 CO 0.36 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.79 2lfb n GLY 65 N -0.06 0.46 0.13 -0.72 0.00 -1.26 -1.01 105.19 102.73 2lfb n GLY 65 Ca 0.38 0.53 -0.20 0.00 0.00 0.00 0.00 46.02 46.73 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 0.47 0.00 1.61 0.87 -1.96 -3.34 113.55 111.19 2lfb h SER 66 Ca 0.00 -0.77 0.00 0.00 -1.23 0.00 0.00 61.79 59.79 2lfb h SER 66 Cb 0.00 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 2lfb h SER 66 CO 0.00 1.66 0.00 0.59 -0.53 0.00 0.00 176.83 178.55 2lfb n ASN 67 N -3.49 0.79 -4.62 6.23 3.02 -0.18 -4.48 115.26 112.52 2lfb n ASN 67 Ca -0.24 -1.76 -0.43 0.00 -0.03 0.00 0.00 54.58 52.12 2lfb n ASN 67 Cb 1.06 -0.39 -0.02 0.00 -0.61 0.00 0.00 39.78 39.81 2lfb n ASN 67 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2lfb s LEU 68 N -0.11 3.81 0.08 3.41 2.96 -1.25 -4.87 118.68 122.72 2lfb s LEU 68 Ca 0.00 1.09 -0.31 0.00 -0.22 0.00 0.00 54.13 54.69 2lfb s LEU 68 Cb 0.00 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.09 2lfb s LEU 68 CO 0.00 -1.15 1.22 0.54 -1.32 0.00 0.00 176.35 175.63 2lfb s VAL 69 N 4.56 3.92 0.14 1.68 0.11 -1.26 -5.06 120.40 124.48 2lfb s VAL 69 Ca 0.56 1.40 0.08 0.00 -2.93 0.00 0.00 61.98 61.10 2lfb s VAL 69 Cb -0.15 -3.90 -0.04 0.00 -1.53 0.00 0.00 36.38 30.76 2lfb s VAL 69 CO 0.25 0.12 -0.12 0.42 -3.33 0.00 0.00 175.10 172.44 2lfb s THR 70 N 0.95 3.13 0.16 5.04 -4.23 -1.26 -4.96 115.64 114.48 2lfb s THR 70 Ca 0.59 -1.50 -0.14 0.00 -1.18 0.00 0.00 61.69 59.46 2lfb s THR 70 Cb -0.30 -2.49 0.15 0.00 1.34 0.00 0.00 72.50 71.20 2lfb s THR 70 CO 0.30 0.02 1.13 -0.62 -0.54 0.00 0.00 174.62 174.91 2lfb n GLU 71 N 0.47 -0.19 -0.22 3.99 1.02 -1.26 -0.46 120.64 123.99 2lfb n GLU 71 Ca -0.13 1.12 0.25 0.00 -0.02 0.00 0.00 57.16 58.38 2lfb n GLU 71 Cb 0.54 -1.66 0.64 0.00 -0.02 0.00 0.00 31.44 30.93 2lfb n GLU 71 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 2lfb h VAL 72 N 0.00 0.58 0.00 2.62 3.04 -1.99 -0.58 116.25 119.92 2lfb h VAL 72 Ca 0.24 -0.06 0.03 0.00 -1.01 0.00 0.00 66.70 65.90 2lfb h VAL 72 Cb 0.42 0.40 -0.04 0.00 -2.01 0.00 0.00 31.29 30.06 2lfb h VAL 72 CO -0.72 0.03 -0.24 0.03 -1.01 0.00 0.00 177.57 175.66 2lfb h ARG 73 N 0.17 -0.37 -0.08 4.17 2.47 -1.18 0.31 114.38 119.87 2lfb h ARG 73 Ca 0.47 0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 59.21 2lfb h ARG 73 Cb 1.56 0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 29.96 2lfb h ARG 73 CO -0.09 -0.24 0.03 0.28 0.56 0.00 0.00 179.97 180.51 2lfb h VAL 74 N -0.38 1.13 0.05 2.04 2.07 -1.26 0.26 116.25 120.16 2lfb h VAL 74 Ca 0.06 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.20 2lfb h VAL 74 Cb 0.46 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 2lfb h VAL 74 CO -0.21 0.12 -0.44 0.22 0.02 0.00 0.00 177.57 177.27 2lfb h TYR 75 N -0.02 -1.28 -0.72 1.57 5.03 -1.19 0.41 116.97 120.76 2lfb h TYR 75 Ca 0.03 0.04 0.15 0.00 2.58 0.00 0.00 58.73 61.53 2lfb h TYR 75 Cb 0.15 0.55 -0.13 0.00 1.55 0.00 0.00 36.73 38.85 2lfb h TYR 75 CO -0.02 -0.48 -0.11 -0.97 -1.32 0.00 0.00 178.16 175.26 2lfb h ASN 76 N -0.58 -0.54 0.41 -2.11 -0.73 -0.32 0.77 115.58 112.47 2lfb h ASN 76 Ca 0.00 0.21 -0.02 0.00 1.87 0.00 0.00 56.30 58.36 2lfb h ASN 76 Cb 0.61 0.40 0.00 0.00 0.27 0.00 0.00 38.32 39.61 2lfb h ASN 76 CO -0.27 -0.22 -0.19 -0.25 -0.37 0.00 0.00 177.43 176.13 2lfb h TRP 77 N 0.04 -0.50 -0.31 0.67 7.01 0.58 0.56 115.95 123.99 2lfb h TRP 77 Ca 0.37 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.33 2lfb h TRP 77 Cb 0.60 0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.81 2lfb h TRP 77 CO -0.51 -0.25 0.09 0.74 -2.79 0.00 0.00 178.44 175.72 2lfb h PHE 78 N -0.65 0.51 -0.70 2.65 -1.00 -0.58 0.26 116.94 117.42 2lfb h PHE 78 Ca -0.06 -0.05 0.09 0.00 2.81 0.00 0.00 57.97 60.76 2lfb h PHE 78 Cb 0.48 -0.15 -0.07 0.00 3.61 0.00 0.00 35.95 39.82 2lfb h PHE 78 CO -0.02 0.52 0.35 0.00 -1.61 0.00 0.00 178.31 177.55 2lfb h ALA 79 N 0.93 0.96 -0.34 2.45 0.00 -0.81 -1.36 119.26 121.09 2lfb h ALA 79 Ca 0.10 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2lfb h ALA 79 Cb 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2lfb h ALA 79 CO -0.00 -0.05 0.10 -0.97 0.00 0.00 0.00 179.25 178.33 2lfb h ASN 80 N 0.59 0.50 0.22 0.00 -1.24 0.97 0.19 115.58 116.81 2lfb h ASN 80 Ca 0.34 -0.21 -0.00 0.00 0.71 0.00 0.00 56.30 57.15 2lfb h ASN 80 Cb 0.36 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.26 2lfb h ASN 80 CO -0.27 0.57 -0.36 0.03 -1.29 0.00 0.00 177.43 176.12 2lfb h ARG 81 N 0.39 -0.59 0.00 6.67 -0.00 0.10 0.29 114.38 121.25 2lfb h ARG 81 Ca 0.11 0.04 -0.02 0.00 -0.50 0.00 0.00 59.98 59.61 2lfb h ARG 81 Cb 0.26 0.13 -0.00 0.00 0.00 0.00 0.00 29.97 30.36 2lfb h ARG 81 CO -0.00 -0.39 -0.10 0.07 0.00 0.00 0.00 179.97 179.54 2lfb h ARG 82 N -0.61 0.00 0.22 0.04 0.11 -1.23 0.71 114.38 113.62 2lfb h ARG 82 Ca -0.02 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.04 2lfb h ARG 82 Cb 0.57 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.65 2lfb h ARG 82 CO -0.12 0.10 -0.11 -0.22 0.10 0.00 0.00 179.97 179.72 2lfb h LYS 83 N 0.00 -0.29 -0.96 0.08 1.63 0.11 -1.53 116.57 115.60 2lfb h LYS 83 Ca -0.00 0.02 0.13 0.00 -0.85 0.00 0.00 60.65 59.95 2lfb h LYS 83 Cb 0.21 0.07 -0.08 0.00 -0.60 0.00 0.00 32.23 31.83 2lfb h LYS 83 CO 0.01 0.02 0.61 1.49 -3.45 0.00 0.00 179.45 178.13 2lfb h GLU 84 N -0.61 0.85 -1.24 1.90 4.81 0.05 0.42 114.58 120.76 2lfb h GLU 84 Ca -0.03 -0.05 -0.40 0.00 -0.13 0.00 0.00 59.36 58.75 2lfb h GLU 84 Cb 0.44 -0.19 -0.19 0.00 0.63 0.00 0.00 28.75 29.44 2lfb h GLU 84 CO 0.05 0.56 0.51 -1.91 -0.73 0.00 0.00 179.01 177.49 2lfb n GLU 85 N -4.60 1.97 0.17 1.92 2.13 0.20 -1.13 120.64 121.30 2lfb n GLU 85 Ca 0.18 -2.02 0.00 0.00 0.66 0.00 0.00 57.16 55.98 2lfb n GLU 85 Cb 0.40 -1.79 0.00 0.00 0.27 0.00 0.00 31.44 30.32 2lfb n GLU 85 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2lfb n ALA 86 N -0.21 1.93 -0.01 4.31 0.00 -0.42 -4.77 120.51 121.35 2lfb n ALA 86 Ca 0.39 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.71 2lfb n ALA 86 Cb 0.82 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.19 2lfb n ALA 86 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2lfb h PHE 87 N 0.00 -1.28 -0.14 0.00 3.04 -0.31 -1.30 116.94 116.95 2lfb h PHE 87 Ca 0.00 0.05 -0.05 0.00 3.98 0.00 0.00 57.97 61.95 2lfb h PHE 87 Cb 0.00 0.57 -0.01 0.00 2.56 0.00 0.00 35.95 39.07 2lfb h PHE 87 CO 0.00 -0.43 -0.14 -0.09 -2.02 0.00 0.00 178.31 175.63 2lfb h ARG 88 N -0.46 0.22 0.00 1.11 1.12 -1.26 0.43 114.38 115.54 2lfb h ARG 88 Ca 0.03 -0.05 -0.03 0.00 -1.11 0.00 0.00 59.98 58.81 2lfb h ARG 88 Cb 0.54 -0.03 -0.00 0.00 -0.01 0.00 0.00 29.97 30.46 2lfb h ARG 88 CO -0.35 0.37 -0.15 0.45 -3.11 0.00 0.00 179.97 177.18 2lfb h HIS 89 N 0.21 0.00 0.00 2.20 3.86 -1.39 -3.37 115.15 116.66 2lfb h HIS 89 Ca 0.04 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 2lfb h HIS 89 Cb 0.39 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.85 2lfb h HIS 89 CO 0.01 0.15 -0.45 1.17 0.86 0.00 0.00 177.93 179.67 2lfb n LYS 90 N -3.78 0.11 0.00 2.45 0.00 -0.66 -5.02 118.16 111.25 2lfb n LYS 90 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 58.31 58.34 2lfb n LYS 90 Cb 0.26 -0.69 0.00 0.00 0.00 0.00 0.00 35.03 34.60 2lfb n LYS 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2lfb n LEU 91 N -3.59 0.00 -2.77 3.14 7.99 0.15 -4.67 117.00 117.24 2lfb n LEU 91 Ca -0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 56.01 55.84 2lfb n LEU 91 Cb 0.21 0.00 0.05 0.00 -0.11 0.00 0.00 43.42 43.57 2lfb n LEU 91 CO 0.03 0.00 0.03 0.00 -1.51 0.00 0.00 177.39 175.95 2lfb n ALA 92 N -3.00 -1.88 -1.50 -1.18 0.00 -1.16 -1.73 120.51 110.06 2lfb n ALA 92 Ca 0.00 0.08 -0.11 0.00 0.00 0.00 0.00 53.44 53.41 2lfb n ALA 92 Cb 0.00 -3.99 -0.04 0.00 0.00 0.00 0.00 19.45 15.42 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 -2.84 -1.41 -2.50 0.00 2.81 -1.26 -0.36 117.12 111.56 2lfb n MET 93 Ca -0.08 0.62 -0.03 0.00 -1.81 0.00 0.00 57.70 56.40 2lfb n MET 93 Cb 0.59 -4.89 -0.00 0.00 -0.71 0.00 0.00 33.22 28.21 2lfb n MET 93 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2lfb n ASP 94 N -0.49 -1.71 0.00 7.83 9.92 -0.71 -4.39 116.55 127.00 2lfb n ASP 94 Ca -0.11 0.41 0.00 0.00 -0.53 0.00 0.00 54.79 54.56 2lfb n ASP 94 Cb 0.40 -1.57 0.00 0.00 -0.64 0.00 0.00 41.12 39.31 2lfb n ASP 94 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2lfb n THR 95 N -2.73 0.00 -2.04 -3.53 -2.24 0.52 -5.07 114.28 99.18 2lfb n THR 95 Ca -0.03 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.45 2lfb n THR 95 Cb 0.53 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.79 2lfb n THR 95 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2lfb s TYR 96 N -0.35 3.40 -1.02 4.78 1.51 -0.22 -4.92 117.35 120.53 2lfb s TYR 96 Ca 0.00 1.00 0.00 0.00 -1.01 0.00 0.00 57.07 57.06 2lfb s TYR 96 Cb 0.00 -2.86 0.00 0.00 -0.11 0.00 0.00 41.96 38.99 2lfb s TYR 96 CO 0.00 -0.93 0.23 0.36 -1.11 0.00 0.00 175.55 174.11 2lfb n LYS 97 N -2.80 0.46 -2.75 -0.62 2.85 -1.26 -4.06 118.16 109.97 2lfb n LYS 97 Ca 0.06 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.28 2lfb n LYS 97 Cb 0.56 -1.22 0.00 0.00 -0.65 0.00 0.00 35.03 33.72 2lfb n LYS 97 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2lfb n LEU 98 N 0.26 -7.90 0.00 -5.58 0.00 -1.26 -5.01 117.00 97.50 2lfb n LEU 98 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 56.01 57.06 2lfb n LEU 98 Cb 0.11 -3.34 0.00 0.00 0.00 0.00 0.00 43.42 40.20 2lfb n LEU 98 CO 0.00 -2.83 0.00 -0.46 0.00 0.00 0.00 177.39 174.10