#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2lfb s ALA 1 N 0.00 -1.85 -0.79 -5.12 0.00 -1.26 -5.09 121.76 107.65 2lfb s ALA 1 Ca 0.00 1.85 -0.20 0.00 0.00 0.00 0.00 51.96 53.61 2lfb s ALA 1 Cb 0.00 -1.04 -0.18 0.00 0.00 0.00 0.00 23.12 21.89 2lfb s ALA 1 CO 0.00 -0.31 2.00 -2.13 0.00 0.00 0.00 175.76 175.32 2lfb n ARG 2 N 2.13 0.19 -1.22 0.00 3.00 -1.26 -4.93 116.66 114.57 2lfb n ARG 2 Ca -0.14 -0.94 -0.32 0.00 -0.00 0.00 0.00 57.85 56.44 2lfb n ARG 2 Cb 0.56 -2.98 0.11 0.00 0.00 0.00 0.00 32.46 30.15 2lfb n ARG 2 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 2lfb s ILE 3 N 11.42 2.68 0.20 5.15 -0.00 -1.26 -4.99 121.20 134.40 2lfb s ILE 3 Ca 0.76 0.27 -0.30 0.00 -0.00 0.00 0.00 60.65 61.38 2lfb s ILE 3 Cb -0.16 -2.64 -0.08 0.00 -0.00 0.00 0.00 42.46 39.58 2lfb s ILE 3 CO 0.17 -0.25 1.04 1.51 -0.00 0.00 0.00 174.94 177.41 2lfb s ASP 4 N -2.70 7.39 -0.04 4.36 1.47 -1.26 -4.98 116.67 120.91 2lfb s ASP 4 Ca 0.67 2.05 -0.10 0.00 1.18 0.00 0.00 52.55 56.35 2lfb s ASP 4 Cb -0.22 -2.61 -0.30 0.00 -0.34 0.00 0.00 42.92 39.45 2lfb s ASP 4 CO 0.51 -0.09 0.70 1.55 0.68 0.00 0.00 175.17 178.52 2lfb h PRO 5 N 4.69 0.38 0.00 2.11 0.13 -2.01 -3.48 132.00 133.82 2lfb h PRO 5 Ca -0.45 -0.64 0.00 0.00 -0.87 0.00 0.00 66.00 64.04 2lfb h PRO 5 Cb 1.21 0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.58 2lfb h PRO 5 CO 0.70 1.29 0.00 2.41 -0.23 0.00 0.00 178.00 182.17 2lfb n THR 6 N -3.57 0.00 -2.20 1.56 -1.04 -1.26 -5.01 114.28 102.76 2lfb n THR 6 Ca -0.23 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.44 2lfb n THR 6 Cb 1.07 -0.01 -0.04 0.00 -1.82 0.00 0.00 70.33 69.54 2lfb n THR 6 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 2lfb s LYS 7 N -1.04 2.84 0.48 -2.82 -2.85 -1.26 -4.88 119.74 110.21 2lfb s LYS 7 Ca 0.00 -0.20 0.05 0.00 -1.00 0.00 0.00 55.97 54.83 2lfb s LYS 7 Cb 0.00 -4.84 0.05 0.00 -2.06 0.00 0.00 37.83 30.99 2lfb s LYS 7 CO 0.00 -2.85 0.46 0.36 0.10 0.00 0.00 175.35 173.42 2lfb n LYS 8 N 9.01 0.75 -0.54 1.78 2.85 -1.26 -4.94 118.16 125.81 2lfb n LYS 8 Ca 0.29 -2.86 0.00 0.00 -1.05 0.00 0.00 58.31 54.69 2lfb n LYS 8 Cb 0.49 0.15 0.00 0.00 -0.65 0.00 0.00 35.03 35.03 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 -0.79 0.77 2.32 2.58 0.00 -1.26 -4.91 105.19 103.90 2lfb n GLY 9 Ca 0.03 -0.61 -0.25 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.49 1.56 -0.71 1.61 1.85 -1.26 -2.26 116.66 116.95 2lfb n ARG 10 Ca 0.00 -3.87 -0.30 0.00 -1.00 0.00 0.00 57.85 52.67 2lfb n ARG 10 Cb 0.18 -1.70 0.18 0.00 -1.05 0.00 0.00 32.46 30.07 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 -1.88 0.60 0.08 2.89 6.06 -0.24 -4.87 118.95 121.59 2lfb s ARG 11 Ca 0.38 1.32 -0.34 0.00 -2.50 0.00 0.00 55.73 54.59 2lfb s ARG 11 Cb 0.18 -1.70 -0.17 0.00 0.06 0.00 0.00 34.95 33.33 2lfb s ARG 11 CO -0.07 -2.84 1.59 -0.97 -2.50 0.00 0.00 175.30 170.51 2lfb h ASN 12 N -2.01 -1.10 0.04 -2.12 -1.24 -2.03 -3.24 115.58 103.88 2lfb h ASN 12 Ca -0.48 0.07 0.02 0.00 0.71 0.00 0.00 56.30 56.62 2lfb h ASN 12 Cb 1.28 0.34 -0.03 0.00 0.73 0.00 0.00 38.32 40.65 2lfb h ASN 12 CO 0.45 -0.62 -0.16 0.08 -1.29 0.00 0.00 177.43 175.89 2lfb h ARG 13 N -0.97 -0.27 -3.74 6.67 0.11 -2.03 -3.44 114.38 110.72 2lfb h ARG 13 Ca -0.07 0.02 -0.30 0.00 0.10 0.00 0.00 59.98 59.73 2lfb h ARG 13 Cb 0.81 0.06 -0.32 0.00 1.11 0.00 0.00 29.97 31.64 2lfb h ARG 13 CO 0.03 -0.18 -0.74 0.12 0.10 0.00 0.00 179.97 179.31 2lfb s PHE 14 N -6.13 0.17 0.11 4.08 5.36 -1.22 -5.09 117.98 115.27 2lfb s PHE 14 Ca -0.15 0.02 0.07 0.00 -0.96 0.00 0.00 56.93 55.91 2lfb s PHE 14 Cb 0.08 -0.24 -0.04 0.00 -0.34 0.00 0.00 43.02 42.49 2lfb s PHE 14 CO 0.66 -0.07 -0.16 -1.59 -1.46 0.00 0.00 175.22 172.60 2lfb s LYS 15 N 0.62 1.03 -0.15 10.12 -2.85 -1.26 -1.07 119.74 126.18 2lfb s LYS 15 Ca -0.06 -1.17 -0.25 0.00 -1.00 0.00 0.00 55.97 53.49 2lfb s LYS 15 Cb -0.08 -1.05 -0.02 0.00 -2.06 0.00 0.00 37.83 34.62 2lfb s LYS 15 CO -0.01 0.22 0.81 -1.58 0.10 0.00 0.00 175.35 174.89 2lfb s TRP 16 N -1.69 3.44 0.04 1.78 0.52 -0.96 -4.77 118.94 117.30 2lfb s TRP 16 Ca 0.07 1.25 -0.01 0.00 0.02 0.00 0.00 56.10 57.43 2lfb s TRP 16 Cb -0.07 -2.99 0.01 0.00 -1.15 0.00 0.00 33.47 29.27 2lfb s TRP 16 CO 0.04 -0.20 0.05 0.41 0.02 0.00 0.00 176.95 177.27 2lfb n GLY 17 N 3.42 -1.57 3.74 0.98 0.00 -1.26 -4.86 105.19 105.64 2lfb n GLY 17 Ca 0.04 -1.60 -0.35 0.00 0.00 0.00 0.00 46.02 44.10 2lfb n GLY 17 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2lfb s PRO 18 N -3.10 2.66 0.00 1.61 0.04 -1.26 -3.43 135.00 131.53 2lfb s PRO 18 Ca 0.03 1.82 0.00 0.00 0.04 0.00 0.00 61.00 62.89 2lfb s PRO 18 Cb -0.00 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2lfb s PRO 18 CO 0.02 -1.44 0.00 0.00 0.04 0.00 0.00 177.00 175.62 2lfb n ALA 19 N -2.00 0.00 -0.36 8.56 0.00 -1.26 -4.64 120.51 120.81 2lfb n ALA 19 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.64 2lfb n ALA 19 Cb 0.50 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.08 2lfb n ALA 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2lfb n SER 20 N 1.52 -0.36 -0.25 0.00 2.88 -1.22 -2.06 113.62 114.13 2lfb n SER 20 Ca 0.00 1.70 -0.05 0.00 -1.33 0.00 0.00 58.87 59.19 2lfb n SER 20 Cb 0.00 -0.51 0.11 0.00 -0.75 0.00 0.00 64.21 63.05 2lfb n SER 20 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2lfb h GLN 21 N 0.00 1.10 -0.67 -1.46 1.08 -1.82 0.15 115.11 113.49 2lfb h GLN 21 Ca 0.47 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 57.45 2lfb h GLN 21 Cb 0.72 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.94 2lfb h GLN 21 CO -1.02 0.90 0.34 -0.56 -0.95 0.00 0.00 178.83 177.55 2lfb h GLN 22 N 1.08 0.96 -0.07 1.46 3.07 -1.79 -1.28 115.11 118.54 2lfb h GLN 22 Ca 0.25 -0.13 -0.20 0.00 0.09 0.00 0.00 58.65 58.65 2lfb h GLN 22 Cb 0.22 -0.18 -0.00 0.00 0.08 0.00 0.00 27.48 27.60 2lfb h GLN 22 CO -0.02 0.74 -0.80 0.82 0.09 0.00 0.00 178.83 179.67 2lfb h ILE 23 N 0.93 1.37 -0.04 1.86 2.04 -1.34 0.15 117.51 122.48 2lfb h ILE 23 Ca 0.23 -2.20 0.02 0.00 1.00 0.00 0.00 64.86 63.91 2lfb h ILE 23 Cb 0.09 2.18 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 2lfb h ILE 23 CO -0.03 0.66 -0.05 -0.07 0.00 0.00 0.00 178.15 178.66 2lfb h LEU 24 N 0.31 -0.16 -0.43 1.44 3.38 -0.88 -0.68 115.31 118.28 2lfb h LEU 24 Ca -0.05 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.04 2lfb h LEU 24 Cb 1.40 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 42.15 2lfb h LEU 24 CO 0.14 -0.08 -0.10 -0.26 0.09 0.00 0.00 178.44 178.23 2lfb h PHE 25 N -0.08 -0.22 -0.37 1.13 -1.00 -0.95 -1.41 116.94 114.04 2lfb h PHE 25 Ca 0.04 0.04 -0.00 0.00 2.81 0.00 0.00 57.97 60.85 2lfb h PHE 25 Cb 0.13 0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.83 2lfb h PHE 25 CO -0.14 -0.18 0.22 -0.56 -1.61 0.00 0.00 178.31 176.03 2lfb h GLN 26 N 0.01 0.51 0.57 1.51 3.07 -0.08 0.35 115.11 121.04 2lfb h GLN 26 Ca 0.21 -0.05 -0.03 0.00 0.09 0.00 0.00 58.65 58.87 2lfb h GLN 26 Cb 0.32 -0.10 0.01 0.00 0.08 0.00 0.00 27.48 27.78 2lfb h GLN 26 CO -0.44 0.39 -0.27 0.00 0.09 0.00 0.00 178.83 178.60 2lfb h ALA 27 N 1.09 -0.77 -0.44 0.06 0.00 -0.94 -1.54 119.26 116.72 2lfb h ALA 27 Ca 0.13 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.95 2lfb h ALA 27 Cb 0.02 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2lfb h ALA 27 CO -0.02 -0.88 0.31 -0.92 0.00 0.00 0.00 179.25 177.74 2lfb h TYR 28 N -0.87 0.17 0.57 0.00 3.20 -1.00 0.12 116.97 119.16 2lfb h TYR 28 Ca -0.08 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.77 2lfb h TYR 28 Cb 0.63 -0.06 0.01 0.00 1.54 0.00 0.00 36.73 38.85 2lfb h TYR 28 CO -0.02 0.08 -0.27 1.49 -1.64 0.00 0.00 178.16 177.80 2lfb h GLU 29 N 0.16 -0.74 0.11 1.82 4.81 0.15 -3.36 114.58 117.54 2lfb h GLU 29 Ca 0.21 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 2lfb h GLU 29 Cb 0.61 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.16 2lfb h GLU 29 CO -0.03 -0.49 -0.05 0.07 -0.73 0.00 0.00 179.01 177.78 2lfb h ARG 30 N -0.78 -0.15 -4.22 1.92 0.11 -0.06 -3.45 114.38 107.76 2lfb h ARG 30 Ca -0.08 0.01 -0.42 0.00 0.10 0.00 0.00 59.98 59.59 2lfb h ARG 30 Cb 0.59 0.03 -0.33 0.00 1.11 0.00 0.00 29.97 31.37 2lfb h ARG 30 CO 0.13 0.34 -0.78 -1.14 0.10 0.00 0.00 179.97 178.62 2lfb s GLN 31 N -3.18 0.97 -0.13 0.08 -0.44 0.26 -5.06 119.66 112.15 2lfb s GLN 31 Ca -0.13 -0.19 -0.08 0.00 -2.50 0.00 0.00 55.36 52.46 2lfb s GLN 31 Cb -0.00 -0.91 -0.06 0.00 -1.64 0.00 0.00 33.01 30.40 2lfb s GLN 31 CO 0.49 -0.02 -0.19 1.63 0.50 0.00 0.00 175.29 177.71 2lfb n LYS 32 N 3.81 0.30 -2.50 1.67 5.02 -1.26 -3.64 118.16 121.57 2lfb n LYS 32 Ca -0.23 0.13 -0.42 0.00 -2.02 0.00 0.00 58.31 55.77 2lfb n LYS 32 Cb 0.52 -1.01 -0.02 0.00 -0.02 0.00 0.00 35.03 34.49 2lfb n LYS 32 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2lfb s ASN 33 N -6.25 6.30 -0.73 4.39 2.47 -1.26 -4.92 114.94 114.94 2lfb s ASN 33 Ca -0.20 0.17 -0.26 0.00 0.42 0.00 0.00 52.86 53.00 2lfb s ASN 33 Cb 0.07 -2.55 -0.00 0.00 -1.45 0.00 0.00 41.25 37.31 2lfb s ASN 33 CO 0.25 -1.59 1.68 -2.16 -3.72 0.00 0.00 177.10 171.56 2lfb s PRO 34 N 5.22 2.85 0.00 0.43 0.04 -1.26 -4.89 135.00 137.38 2lfb s PRO 34 Ca 0.47 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.60 2lfb s PRO 34 Cb -0.09 -4.52 0.00 0.00 0.04 0.00 0.00 34.50 29.93 2lfb s PRO 34 CO 0.25 -2.63 0.37 0.45 0.04 0.00 0.00 177.00 175.48 2lfb n SER 35 N 11.68 0.00 0.12 6.66 2.88 -1.26 -5.00 113.62 128.70 2lfb n SER 35 Ca 0.20 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 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 -0.43 0.00 -0.14 -1.46 3.00 -1.26 -4.98 118.16 112.90 2lfb n LYS 36 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 2lfb n LYS 36 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.01 2lfb n LYS 36 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2lfb h GLU 37 N 0.00 0.83 -0.91 1.64 3.07 -2.01 0.39 114.58 117.60 2lfb h GLU 37 Ca 0.00 -0.35 0.19 0.00 -0.50 0.00 0.00 59.36 58.70 2lfb h GLU 37 Cb 0.00 -0.03 -0.17 0.00 -0.84 0.00 0.00 28.75 27.71 2lfb h GLU 37 CO 0.00 0.99 -0.18 -1.91 -1.40 0.00 0.00 179.01 176.51 2lfb n GLU 38 N -4.25 -0.08 0.04 2.33 4.07 -1.26 -1.33 120.64 120.17 2lfb n GLU 38 Ca -0.01 1.41 -0.12 0.00 -0.06 0.00 0.00 57.16 58.37 2lfb n GLU 38 Cb 0.42 -2.12 -0.08 0.00 -0.06 0.00 0.00 31.44 29.59 2lfb n GLU 38 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2lfb h ARG 39 N 0.00 -0.04 -0.26 5.31 3.08 -0.60 0.11 114.38 121.98 2lfb h ARG 39 Ca 0.46 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.48 2lfb h ARG 39 Cb 0.75 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 2lfb h ARG 39 CO -0.92 0.08 0.04 0.93 -1.07 0.00 0.00 179.97 179.03 2lfb h GLU 40 N -0.16 0.43 -0.63 0.04 3.07 -1.01 0.45 114.58 116.77 2lfb h GLU 40 Ca -0.00 -0.11 0.08 0.00 -0.50 0.00 0.00 59.36 58.82 2lfb h GLU 40 Cb 0.14 -0.05 -0.10 0.00 -0.84 0.00 0.00 28.75 27.90 2lfb h GLU 40 CO 0.01 0.55 -0.51 1.15 -1.40 0.00 0.00 179.01 178.80 2lfb h THR 41 N 0.24 0.03 -0.91 1.13 2.02 -1.34 -1.97 112.91 112.11 2lfb h THR 41 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.26 2lfb h THR 41 Cb 0.33 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 66.72 2lfb h THR 41 CO 0.00 0.00 0.58 0.25 0.37 0.00 0.00 175.52 176.72 2lfb h LEU 42 N -0.23 1.07 0.05 2.58 5.85 0.11 0.95 115.31 125.70 2lfb h LEU 42 Ca 0.14 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.84 2lfb h LEU 42 Cb 0.54 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 2lfb h LEU 42 CO -0.73 0.80 -0.22 0.58 -0.34 0.00 0.00 178.44 178.53 2lfb h VAL 43 N 1.25 0.49 0.76 1.05 2.07 0.34 0.24 116.25 122.45 2lfb h VAL 43 Ca 0.33 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.82 2lfb h VAL 43 Cb -0.10 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2lfb h VAL 43 CO -0.07 0.00 -0.45 -0.08 0.02 0.00 0.00 177.57 177.00 2lfb h GLU 44 N -0.38 -1.09 -0.74 1.57 4.57 -0.57 0.25 114.58 118.18 2lfb h GLU 44 Ca 0.05 0.07 0.13 0.00 -1.18 0.00 0.00 59.36 58.43 2lfb h GLU 44 Cb 0.43 0.25 -0.09 0.00 -0.16 0.00 0.00 28.75 29.18 2lfb h GLU 44 CO -0.17 -0.72 0.31 0.93 -1.18 0.00 0.00 179.01 178.17 2lfb h GLU 45 N -1.13 0.45 0.62 1.92 5.08 -0.75 0.12 114.58 120.89 2lfb h GLU 45 Ca -0.10 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 2lfb h GLU 45 Cb 0.90 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 30.05 2lfb h GLU 45 CO 0.11 0.30 -0.30 0.00 -1.00 0.00 0.00 179.01 178.13 2lfb h ASN 47 N -1.00 0.74 0.26 0.00 2.35 0.47 0.43 115.58 118.83 2lfb h ASN 47 Ca -0.08 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 2lfb h ASN 47 Cb 0.68 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.91 2lfb h ASN 47 CO 0.14 0.45 -0.12 -0.09 -1.65 0.00 0.00 177.43 176.15 2lfb h ARG 48 N 0.83 -0.33 -0.76 0.81 2.43 -0.80 0.25 114.38 116.81 2lfb h ARG 48 Ca 0.38 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.69 2lfb h ARG 48 Cb 0.39 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.96 2lfb h ARG 48 CO -0.15 -0.10 0.50 0.00 -1.51 0.00 0.00 179.97 178.71 2lfb h ALA 49 N 0.18 1.89 -0.06 2.80 0.00 -0.50 0.50 119.26 124.07 2lfb h ALA 49 Ca -0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2lfb h ALA 49 Cb 0.38 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2lfb h ALA 49 CO 0.06 -0.07 -0.04 1.49 0.00 0.00 0.00 179.25 180.69 2lfb h GLU 50 N 0.60 0.13 -0.56 0.00 4.57 0.01 -0.16 114.58 119.18 2lfb h GLU 50 Ca 0.36 -0.07 0.10 0.00 -1.18 0.00 0.00 59.36 58.57 2lfb h GLU 50 Cb 0.58 -0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.10 2lfb h GLU 50 CO -0.13 0.55 0.14 0.00 -1.18 0.00 0.00 179.01 178.39 2lfb h ILE 52 N 0.28 1.24 -0.89 0.00 2.04 -0.75 0.28 117.51 119.70 2lfb h ILE 52 Ca 0.28 -0.80 0.24 0.00 1.00 0.00 0.00 64.86 65.59 2lfb h ILE 52 Cb 0.39 0.59 -0.14 0.00 -0.74 0.00 0.00 36.82 36.91 2lfb h ILE 52 CO -0.35 0.31 0.27 0.06 0.00 0.00 0.00 178.15 178.44 2lfb h GLN 53 N 0.89 0.21 0.03 2.37 3.07 -0.10 -1.01 115.11 120.57 2lfb h GLN 53 Ca 0.20 -0.01 -0.34 0.00 0.09 0.00 0.00 58.65 58.59 2lfb h GLN 53 Cb 0.26 -0.05 -0.05 0.00 0.08 0.00 0.00 27.48 27.72 2lfb h GLN 53 CO -0.01 0.14 -2.06 0.54 0.09 0.00 0.00 178.83 177.53 2lfb n ARG 54 N -5.21 0.68 -1.44 0.06 3.00 -1.04 -5.00 116.66 107.71 2lfb n ARG 54 Ca 0.22 0.19 0.00 0.00 -0.01 0.00 0.00 57.85 58.26 2lfb n ARG 54 Cb 0.71 -1.67 0.00 0.00 0.00 0.00 0.00 32.46 31.51 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 1.81 0.63 3.75 -0.13 0.00 0.70 -5.09 105.19 106.86 2lfb n GLY 55 Ca -0.29 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.96 1.99 -0.28 1.61 1.01 0.33 -4.95 120.40 117.15 2lfb s VAL 56 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 61.98 61.57 2lfb s VAL 56 Cb 0.00 -2.67 -0.16 0.00 0.00 0.00 0.00 36.38 33.55 2lfb s VAL 56 CO 0.00 0.00 1.70 -1.20 0.00 0.00 0.00 175.10 175.60 2lfb n SER 57 N -3.92 2.21 -0.37 3.32 7.64 -1.26 -4.83 113.62 116.41 2lfb n SER 57 Ca 0.06 1.09 0.04 0.00 1.01 0.00 0.00 58.87 61.07 2lfb n SER 57 Cb 0.59 -1.12 0.19 0.00 -1.01 0.00 0.00 64.21 62.86 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 6.81 1.10 -0.06 1.43 0.13 -1.94 0.74 132.00 140.21 2lfb h PRO 58 Ca -0.46 -0.07 -0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2lfb h PRO 58 Cb 1.33 -0.25 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2lfb h PRO 58 CO 0.95 0.73 0.04 0.66 -0.23 0.00 0.00 178.00 180.15 2lfb h SER 59 N 1.14 0.08 -0.42 1.44 4.64 -2.02 -3.33 113.55 115.07 2lfb h SER 59 Ca 0.45 -0.05 -0.31 0.00 -0.47 0.00 0.00 61.79 61.41 2lfb h SER 59 Cb 0.24 -0.02 -0.11 0.00 -0.31 0.00 0.00 62.40 62.20 2lfb h SER 59 CO -0.19 0.10 -0.06 1.67 -0.87 0.00 0.00 176.83 177.48 2lfb n GLN 60 N -5.02 2.12 0.16 4.77 -0.06 0.25 -4.36 117.38 115.24 2lfb n GLN 60 Ca -0.06 -1.50 0.11 0.00 -2.00 0.00 0.00 57.00 53.55 2lfb n GLN 60 Cb 0.05 -2.01 0.57 0.00 -4.06 0.00 0.00 30.24 24.79 2lfb n GLN 60 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2lfb n ALA 61 N 1.79 1.03 0.19 1.69 0.00 -1.24 -0.34 120.51 123.63 2lfb n ALA 61 Ca 0.44 0.20 0.06 0.00 0.00 0.00 0.00 53.44 54.13 2lfb n ALA 61 Cb 0.76 -1.29 0.36 0.00 0.00 0.00 0.00 19.45 19.27 2lfb n ALA 61 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2lfb h GLN 62 N 0.00 0.00 0.01 0.00 -0.00 -1.91 -3.38 115.11 109.83 2lfb h GLN 62 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 58.65 58.43 2lfb h GLN 62 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.50 2lfb h GLN 62 CO 0.00 0.36 -0.94 0.78 0.00 0.00 0.00 178.83 179.02 2lfb h GLY 63 N 1.98 0.42 -3.59 2.39 0.00 -1.05 -3.35 103.07 99.86 2lfb h GLY 63 Ca -0.00 -0.74 -0.06 0.00 0.00 0.00 0.00 47.33 46.52 2lfb h GLY 63 CO 0.05 0.65 -0.09 1.47 0.00 0.00 0.00 176.54 178.62 2lfb n LEU 64 N -3.72 4.32 -0.06 3.11 -0.00 -1.26 -4.73 117.00 114.67 2lfb n LEU 64 Ca -0.06 -2.26 0.01 0.00 -0.00 0.00 0.00 56.01 53.70 2lfb n LEU 64 Cb 0.84 -1.02 0.02 0.00 -0.00 0.00 0.00 43.42 43.26 2lfb n LEU 64 CO 0.51 1.01 0.11 0.61 -0.00 0.00 0.00 177.39 179.63 2lfb n GLY 65 N 2.00 -0.27 0.22 1.47 0.00 -1.26 -0.24 105.19 107.10 2lfb n GLY 65 Ca 0.14 0.18 -0.08 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.55 0.71 1.61 0.87 -1.96 -2.86 113.55 111.37 2lfb h SER 66 Ca 0.08 0.11 -0.17 0.00 -1.23 0.00 0.00 61.79 60.58 2lfb h SER 66 Cb 0.12 0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.33 2lfb h SER 66 CO -0.17 -0.21 -1.40 0.78 -0.53 0.00 0.00 176.83 175.30 2lfb h ASN 67 N -0.16 0.00 -0.84 6.23 2.35 -0.91 -3.43 115.58 118.82 2lfb h ASN 67 Ca 0.13 0.00 -0.65 0.00 -0.55 0.00 0.00 56.30 55.23 2lfb h ASN 67 Cb 0.36 0.00 0.05 0.00 0.05 0.00 0.00 38.32 38.78 2lfb h ASN 67 CO -0.33 0.60 0.00 -0.11 -1.65 0.00 0.00 177.43 175.94 2lfb n LEU 68 N -2.91 -0.11 -4.83 1.61 7.94 0.39 -4.75 117.00 114.34 2lfb n LEU 68 Ca -0.10 0.97 -0.38 0.00 -1.11 0.00 0.00 56.01 55.40 2lfb n LEU 68 Cb 0.85 -0.77 -0.06 0.00 0.53 0.00 0.00 43.42 43.97 2lfb n LEU 68 CO 0.43 -1.69 0.17 -0.69 -1.11 0.00 0.00 177.39 174.50 2lfb s VAL 69 N -0.08 4.92 0.07 1.96 1.01 -1.26 -4.93 120.40 122.10 2lfb s VAL 69 Ca 0.74 0.93 -0.00 0.00 0.00 0.00 0.00 61.98 63.64 2lfb s VAL 69 Cb -1.03 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 31.54 2lfb s VAL 69 CO 0.48 0.51 -0.04 0.42 0.00 0.00 0.00 175.10 176.47 2lfb s THR 70 N -1.16 0.38 0.37 3.92 -4.23 -1.26 -4.92 115.64 108.74 2lfb s THR 70 Ca 0.28 -1.86 0.06 0.00 -1.18 0.00 0.00 61.69 58.99 2lfb s THR 70 Cb -0.17 -1.62 0.29 0.00 1.34 0.00 0.00 72.50 72.34 2lfb s THR 70 CO 0.16 -0.91 1.97 1.05 -0.54 0.00 0.00 174.62 176.35 2lfb h GLU 71 N 3.06 0.70 -0.92 3.99 -0.00 -1.97 0.15 114.58 119.59 2lfb h GLU 71 Ca -0.35 -0.04 0.20 0.00 -0.00 0.00 0.00 59.36 59.17 2lfb h GLU 71 Cb 1.15 -0.16 -0.07 0.00 -0.00 0.00 0.00 28.75 29.67 2lfb h GLU 71 CO 0.65 0.46 0.60 -0.24 -0.00 0.00 0.00 179.01 180.48 2lfb h VAL 72 N 0.72 0.70 -0.13 -1.06 3.04 -1.98 0.17 116.25 117.70 2lfb h VAL 72 Ca 0.29 -0.17 -0.03 0.00 -1.01 0.00 0.00 66.70 65.77 2lfb h VAL 72 Cb 0.23 0.15 -0.00 0.00 -2.01 0.00 0.00 31.29 29.66 2lfb h VAL 72 CO -0.09 0.09 -0.05 0.03 -1.01 0.00 0.00 177.57 176.54 2lfb h ARG 73 N 0.50 0.26 -0.31 4.17 2.47 -1.11 -0.74 114.38 119.62 2lfb h ARG 73 Ca 0.49 -0.11 0.06 0.00 -1.26 0.00 0.00 59.98 59.16 2lfb h ARG 73 Cb 1.09 -0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 29.34 2lfb h ARG 73 CO -0.22 0.58 -0.08 0.28 0.56 0.00 0.00 179.97 181.09 2lfb h VAL 74 N -0.07 0.68 -0.34 2.04 2.07 -0.60 0.11 116.25 120.13 2lfb h VAL 74 Ca 0.03 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.62 2lfb h VAL 74 Cb 0.50 0.68 -0.08 0.00 -1.52 0.00 0.00 31.29 30.86 2lfb h VAL 74 CO 0.02 0.00 -0.35 0.22 0.02 0.00 0.00 177.57 177.48 2lfb h TYR 75 N -0.01 -0.99 -0.24 1.57 5.03 -0.84 -0.96 116.97 120.53 2lfb h TYR 75 Ca 0.15 0.06 0.06 0.00 2.58 0.00 0.00 58.73 61.57 2lfb h TYR 75 Cb 0.24 0.48 -0.08 0.00 1.55 0.00 0.00 36.73 38.92 2lfb h TYR 75 CO -0.30 -0.40 -0.36 -0.91 -1.32 0.00 0.00 178.16 174.86 2lfb h ASN 76 N -0.31 -1.16 -0.02 -2.11 -0.26 0.74 0.14 115.58 112.60 2lfb h ASN 76 Ca 0.15 0.18 -0.01 0.00 -0.56 0.00 0.00 56.30 56.05 2lfb h ASN 76 Cb 0.56 0.50 0.00 0.00 -1.06 0.00 0.00 38.32 38.32 2lfb h ASN 76 CO -0.50 -0.37 -0.03 4.11 -1.06 0.00 0.00 177.43 179.57 2lfb h TRP 77 N -0.37 0.07 -0.65 1.19 5.08 -1.03 -3.10 115.95 117.14 2lfb h TRP 77 Ca 0.12 -0.03 0.08 0.00 1.08 0.00 0.00 58.89 60.14 2lfb h TRP 77 Cb 0.57 -0.01 -0.04 0.00 -3.00 0.00 0.00 29.16 26.68 2lfb h TRP 77 CO -0.49 0.60 0.43 0.74 -1.28 0.00 0.00 178.44 178.44 2lfb h PHE 78 N -0.48 0.59 -0.67 0.12 0.04 -1.06 0.13 116.94 115.62 2lfb h PHE 78 Ca 0.00 0.02 0.14 0.00 2.80 0.00 0.00 57.97 60.93 2lfb h PHE 78 Cb 0.60 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.52 2lfb h PHE 78 CO 0.12 0.30 0.45 0.00 -0.60 0.00 0.00 178.31 178.58 2lfb h ALA 79 N 1.66 2.22 0.09 2.45 0.00 -0.64 0.07 119.26 125.11 2lfb h ALA 79 Ca 0.29 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2lfb h ALA 79 Cb 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2lfb h ALA 79 CO -0.09 -0.40 -0.04 -0.97 0.00 0.00 0.00 179.25 177.75 2lfb h ASN 80 N 0.29 -0.10 0.00 0.00 -0.73 -0.85 -3.36 115.58 110.84 2lfb h ASN 80 Ca 0.32 -0.46 -0.34 0.00 1.87 0.00 0.00 56.30 57.69 2lfb h ASN 80 Cb 0.86 0.03 -0.01 0.00 0.27 0.00 0.00 38.32 39.47 2lfb h ASN 80 CO -0.08 0.56 1.73 -1.14 -0.37 0.00 0.00 177.43 178.14 2lfb n ARG 81 N -4.82 2.19 0.00 6.67 3.00 -0.02 -2.34 116.66 121.34 2lfb n ARG 81 Ca -0.07 -1.32 0.00 0.00 -0.00 0.00 0.00 57.85 56.46 2lfb n ARG 81 Cb 0.27 -2.28 0.00 0.00 0.00 0.00 0.00 32.46 30.45 2lfb n ARG 81 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 2lfb n ARG 82 N 3.40 0.00 -0.07 -0.14 -4.01 -0.84 -4.75 116.66 110.26 2lfb n ARG 82 Ca 0.47 0.00 -0.09 0.00 -1.04 0.00 0.00 57.85 57.19 2lfb n ARG 82 Cb 0.38 0.00 0.06 0.00 -3.04 0.00 0.00 32.46 29.87 2lfb n ARG 82 CO 0.00 0.00 0.00 -0.22 -3.04 0.00 0.00 177.63 174.37 2lfb h LYS 83 N 0.00 0.75 -0.99 2.89 1.63 -1.60 -0.65 116.57 118.60 2lfb h LYS 83 Ca 0.00 -0.35 0.18 0.00 -0.85 0.00 0.00 60.65 59.63 2lfb h LYS 83 Cb 0.00 -0.01 -0.10 0.00 -0.60 0.00 0.00 32.23 31.52 2lfb h LYS 83 CO 0.00 0.97 0.60 1.49 -3.45 0.00 0.00 179.45 179.06 2lfb h GLU 84 N 0.64 0.75 0.44 1.90 4.81 -1.81 0.21 114.58 121.52 2lfb h GLU 84 Ca 0.07 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 2lfb h GLU 84 Cb 0.85 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2lfb h GLU 84 CO 0.07 0.50 -0.21 1.49 -0.73 0.00 0.00 179.01 180.13 2lfb h GLU 85 N 0.77 -0.57 -0.28 1.92 4.81 -1.59 -2.66 114.58 116.99 2lfb h GLU 85 Ca 0.56 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.91 2lfb h GLU 85 Cb 0.84 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 2lfb h GLU 85 CO -0.37 -0.38 0.26 0.00 -0.73 0.00 0.00 179.01 177.78 2lfb h ALA 86 N -1.42 2.02 -1.39 2.92 0.00 -1.02 0.27 119.26 120.65 2lfb h ALA 86 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2lfb h ALA 86 Cb 0.45 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2lfb h ALA 86 CO 0.10 -0.40 0.00 0.34 0.00 0.00 0.00 179.25 179.29 2lfb n PHE 87 N -3.99 0.00 0.02 0.00 7.35 0.71 -3.06 117.46 118.49 2lfb n PHE 87 Ca 0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 2lfb n PHE 87 Cb 0.41 -0.27 0.31 0.00 0.35 0.00 0.00 39.48 40.28 2lfb n PHE 87 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 2lfb h ARG 88 N 0.00 0.48 -0.12 -4.13 1.12 -1.05 -0.76 114.38 109.92 2lfb h ARG 88 Ca 0.00 -0.10 0.03 0.00 -1.11 0.00 0.00 59.98 58.80 2lfb h ARG 88 Cb 0.00 -0.07 -0.00 0.00 -0.01 0.00 0.00 29.97 29.89 2lfb h ARG 88 CO 0.00 0.53 0.12 1.25 -3.11 0.00 0.00 179.97 178.75 2lfb h HIS 89 N 0.46 0.00 -1.30 2.20 2.76 -1.09 -0.17 115.15 118.01 2lfb h HIS 89 Ca 0.10 0.00 -0.58 0.00 -2.20 0.00 0.00 60.37 57.68 2lfb h HIS 89 Cb 0.35 0.00 -0.42 0.00 1.55 0.00 0.00 27.41 28.89 2lfb h HIS 89 CO 0.01 0.00 -0.69 1.17 -1.30 0.00 0.00 177.93 177.12 2lfb n LYS 90 N -3.98 3.46 0.00 5.26 3.00 -0.30 -4.85 118.16 120.75 2lfb n LYS 90 Ca -0.00 -4.37 0.00 0.00 -0.00 0.00 0.00 58.31 53.94 2lfb n LYS 90 Cb 0.23 -2.26 0.00 0.00 0.00 0.00 0.00 35.03 33.00 2lfb n LYS 90 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2lfb n LEU 91 N -0.55 0.00 -1.47 3.14 7.94 -0.20 -4.99 117.00 120.88 2lfb n LEU 91 Ca 0.41 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 55.21 2lfb n LEU 91 Cb 0.74 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.65 2lfb n LEU 91 CO 0.36 0.00 -0.11 0.00 -1.11 0.00 0.00 177.39 176.53 2lfb n ALA 92 N -1.58 -0.25 -2.58 1.96 0.00 -0.49 -4.79 120.51 112.78 2lfb n ALA 92 Ca 0.00 0.16 -0.11 0.00 0.00 0.00 0.00 53.44 53.49 2lfb n ALA 92 Cb 0.00 -1.20 0.03 0.00 0.00 0.00 0.00 19.45 18.28 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 -1.85 2.16 0.07 0.00 0.00 -1.26 -4.86 117.12 111.37 2lfb n MET 93 Ca -0.11 -3.70 0.00 0.00 0.00 0.00 0.00 57.70 53.89 2lfb n MET 93 Cb 0.38 -1.72 0.00 0.00 0.00 0.00 0.00 33.22 31.88 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 -0.46 -1.23 0.00 3.17 2.03 -1.26 -5.13 116.55 113.67 2lfb n ASP 94 Ca 0.19 0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.80 2lfb n ASP 94 Cb 0.82 1.43 0.00 0.00 -0.72 0.00 0.00 41.12 42.65 2lfb n ASP 94 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2lfb n THR 95 N -2.67 0.00 -0.57 5.18 -2.24 -1.26 -4.80 114.28 107.92 2lfb n THR 95 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2lfb n THR 95 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2lfb n THR 95 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2lfb n TYR 96 N 14.00 0.00 -1.14 4.78 4.01 -1.26 -2.73 117.16 134.82 2lfb n TYR 96 Ca 0.00 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.55 2lfb n TYR 96 Cb 0.00 0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 2lfb n TYR 96 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 2lfb n LYS 97 N 7.20 2.03 -3.28 -0.72 2.85 -1.26 -4.60 118.16 120.38 2lfb n LYS 97 Ca 0.00 -1.72 -0.15 0.00 -1.05 0.00 0.00 58.31 55.39 2lfb n LYS 97 Cb 0.00 -1.85 0.01 0.00 -0.65 0.00 0.00 35.03 32.53 2lfb n LYS 97 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2lfb n LEU 98 N 0.94 -5.04 0.00 -5.58 4.32 -1.14 -5.23 117.00 105.27 2lfb n LEU 98 Ca 0.38 -0.19 0.00 0.00 -0.02 0.00 0.00 56.01 56.18 2lfb n LEU 98 Cb 0.61 -2.60 0.00 0.00 -1.62 0.00 0.00 43.42 39.81 2lfb n LEU 98 CO 0.30 -0.82 0.00 -3.20 -1.22 0.00 0.00 177.39 172.45