#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 -1.43 -0.83 3.17 0.00 -1.26 -5.04 121.76 116.37 2lfb s ALA 1 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 51.96 51.97 2lfb s ALA 1 Cb 0.00 0.78 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 2lfb s ALA 1 CO 0.00 -0.96 0.70 0.54 0.00 0.00 0.00 175.76 176.04 2lfb n ARG 2 N -0.43 -1.43 -1.41 0.00 5.12 -1.26 -4.86 116.66 112.39 2lfb n ARG 2 Ca -0.07 1.16 -0.42 0.00 -1.93 0.00 0.00 57.85 56.58 2lfb n ARG 2 Cb 0.61 -4.71 -0.04 0.00 -1.16 0.00 0.00 32.46 27.15 2lfb n ARG 2 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 2lfb n ILE 3 N -2.34 2.28 -2.96 0.55 -5.35 -1.26 -4.69 119.36 105.59 2lfb n ILE 3 Ca -0.10 -2.04 -0.23 0.00 -0.27 0.00 0.00 62.75 60.11 2lfb n ILE 3 Cb 0.57 -2.38 0.02 0.00 -1.74 0.00 0.00 39.64 36.11 2lfb n ILE 3 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2lfb n ASP 4 N 7.75 -3.53 -4.60 7.28 8.00 -1.26 -4.80 116.55 125.38 2lfb n ASP 4 Ca 0.50 -0.32 -0.43 0.00 0.71 0.00 0.00 54.79 55.25 2lfb n ASP 4 Cb 0.41 -1.08 -0.03 0.00 -0.02 0.00 0.00 41.12 40.40 2lfb n ASP 4 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2lfb s PRO 5 N -2.53 3.14 -0.03 -0.24 0.04 -1.26 -4.79 135.00 129.33 2lfb s PRO 5 Ca 0.17 2.02 0.04 0.00 0.04 0.00 0.00 61.00 63.26 2lfb s PRO 5 Cb -0.02 -4.37 0.06 0.00 0.04 0.00 0.00 34.50 30.21 2lfb s PRO 5 CO 0.60 -2.09 0.95 0.25 0.04 0.00 0.00 177.00 176.75 2lfb n THR 6 N 7.72 0.43 -3.15 1.26 -2.24 -1.26 -4.99 114.28 112.05 2lfb n THR 6 Ca 0.29 -0.50 -0.45 0.00 -2.27 0.00 0.00 64.05 61.12 2lfb n THR 6 Cb 0.45 0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 69.08 2lfb n THR 6 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2lfb s LYS 7 N -0.62 3.21 0.22 -0.78 2.36 -1.26 -4.89 119.74 117.98 2lfb s LYS 7 Ca 0.06 -1.63 0.00 0.00 -2.55 0.00 0.00 55.97 51.85 2lfb s LYS 7 Cb 0.06 -4.39 0.00 0.00 -1.05 0.00 0.00 37.83 32.45 2lfb s LYS 7 CO 0.01 -1.51 0.00 1.17 1.55 0.00 0.00 175.35 176.57 2lfb n LYS 8 N 5.82 -1.77 -0.34 4.03 0.00 -1.26 -5.06 118.16 119.58 2lfb n LYS 8 Ca -0.01 1.33 0.00 0.00 0.00 0.00 0.00 58.31 59.63 2lfb n LYS 8 Cb 0.44 -1.54 0.00 0.00 0.00 0.00 0.00 35.03 33.93 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 -1.22 -0.40 5.00 3.14 0.00 -1.26 -4.69 105.19 105.76 2lfb n GLY 9 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2lfb n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2lfb n ARG 10 N 1.68 0.00 -1.61 1.61 3.00 -1.26 -4.91 116.66 115.17 2lfb n ARG 10 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.85 57.44 2lfb n ARG 10 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 32.46 32.49 2lfb n ARG 10 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2lfb n ARG 11 N 0.00 1.21 -1.13 5.56 0.00 -1.26 -1.68 116.66 119.36 2lfb n ARG 11 Ca 0.00 0.44 -0.04 0.00 -0.00 0.00 0.00 57.85 58.25 2lfb n ARG 11 Cb 0.00 -2.10 -0.02 0.00 0.00 0.00 0.00 32.46 30.34 2lfb n ARG 11 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2lfb n ASN 12 N 0.05 -5.12 -0.29 6.15 5.15 -1.26 -4.80 115.26 115.13 2lfb n ASN 12 Ca 0.11 0.11 0.03 0.00 -0.60 0.00 0.00 54.58 54.23 2lfb n ASN 12 Cb 0.42 -3.01 0.17 0.00 -0.53 0.00 0.00 39.78 36.83 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 0.19 0.78 -6.24 1.20 0.11 -1.73 -3.40 114.38 105.28 2lfb h ARG 13 Ca -0.09 -0.05 -0.56 0.00 0.10 0.00 0.00 59.98 59.38 2lfb h ARG 13 Cb 0.82 -0.18 -0.02 0.00 1.11 0.00 0.00 29.97 31.70 2lfb h ARG 13 CO 0.13 0.51 1.05 0.12 0.10 0.00 0.00 179.97 181.89 2lfb s PHE 14 N -6.03 2.22 -0.05 4.08 5.36 -1.26 -5.03 117.98 117.27 2lfb s PHE 14 Ca -0.12 0.48 -0.07 0.00 -0.96 0.00 0.00 56.93 56.25 2lfb s PHE 14 Cb 0.19 -3.83 -0.04 0.00 -0.34 0.00 0.00 43.02 39.00 2lfb s PHE 14 CO 0.78 -3.11 0.22 -1.59 -1.46 0.00 0.00 175.22 170.07 2lfb s LYS 15 N 4.06 3.55 0.00 10.12 0.00 -1.26 -5.10 119.74 131.11 2lfb s LYS 15 Ca 0.68 -0.06 0.00 0.00 0.00 0.00 0.00 55.97 56.59 2lfb s LYS 15 Cb -0.28 -3.15 0.00 0.00 0.00 0.00 0.00 37.83 34.40 2lfb s LYS 15 CO 0.26 0.71 0.00 0.91 0.00 0.00 0.00 175.35 177.23 2lfb n TRP 16 N 1.55 0.00 0.00 1.78 7.02 -1.26 -4.83 117.44 121.70 2lfb n TRP 16 Ca -0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.33 2lfb n TRP 16 Cb 0.54 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.43 2lfb n TRP 16 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2lfb n GLY 17 N 3.72 0.74 3.75 6.99 0.00 -1.26 -4.79 105.19 114.34 2lfb n GLY 17 Ca 0.00 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.00 2.12 0.00 1.61 0.04 -1.26 -2.74 135.00 132.76 2lfb s PRO 18 Ca 0.00 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.35 2lfb s PRO 18 Cb 0.00 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.67 2lfb s PRO 18 CO 0.00 -1.77 0.00 0.00 0.04 0.00 0.00 177.00 175.27 2lfb n ALA 19 N -3.42 0.00 -0.28 8.56 0.00 -1.26 -4.42 120.51 119.68 2lfb n ALA 19 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.47 2lfb n ALA 19 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.91 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 2.60 -0.71 0.18 0.00 2.88 -1.26 -0.64 113.62 116.67 2lfb n SER 20 Ca 0.00 1.24 0.06 0.00 -1.33 0.00 0.00 58.87 58.84 2lfb n SER 20 Cb 0.00 -0.18 0.26 0.00 -0.75 0.00 0.00 64.21 63.54 2lfb n SER 20 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 2lfb h GLN 21 N 0.00 0.00 -0.45 -1.46 3.07 -1.73 -2.07 115.11 112.47 2lfb h GLN 21 Ca 0.11 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.79 2lfb h GLN 21 Cb 0.28 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.82 2lfb h GLN 21 CO -0.63 0.36 0.05 0.37 0.09 0.00 0.00 178.83 179.07 2lfb h GLN 22 N 0.00 0.77 -0.84 0.06 5.75 -1.18 -1.56 115.11 118.11 2lfb h GLN 22 Ca -0.00 -0.22 -0.03 0.00 -0.15 0.00 0.00 58.65 58.25 2lfb h GLN 22 Cb 1.03 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.46 2lfb h GLN 22 CO 0.05 0.81 0.42 0.82 -2.65 0.00 0.00 178.83 178.27 2lfb h ILE 23 N 0.63 1.25 -0.57 2.39 2.04 -0.53 0.80 117.51 123.52 2lfb h ILE 23 Ca 0.13 -0.69 0.09 0.00 1.00 0.00 0.00 64.86 65.39 2lfb h ILE 23 Cb 0.43 0.16 -0.07 0.00 -0.74 0.00 0.00 36.82 36.60 2lfb h ILE 23 CO 0.01 0.30 0.20 -0.07 0.00 0.00 0.00 178.15 178.59 2lfb h LEU 24 N 1.19 0.18 -0.23 1.44 3.38 -1.14 0.20 115.31 120.33 2lfb h LEU 24 Ca 0.29 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.39 2lfb h LEU 24 Cb 0.09 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 2lfb h LEU 24 CO -0.04 0.11 -0.09 -0.26 0.09 0.00 0.00 178.44 178.25 2lfb h PHE 25 N 0.37 -0.21 -0.06 1.13 0.04 -0.05 0.12 116.94 118.28 2lfb h PHE 25 Ca 0.29 0.02 0.03 0.00 2.80 0.00 0.00 57.97 61.11 2lfb h PHE 25 Cb 0.35 0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.60 2lfb h PHE 25 CO -0.18 -0.15 -0.11 -0.56 -0.60 0.00 0.00 178.31 176.71 2lfb h GLN 26 N -0.05 -0.16 -0.23 1.51 3.07 0.25 -0.15 115.11 119.35 2lfb h GLN 26 Ca 0.12 0.01 -0.11 0.00 0.09 0.00 0.00 58.65 58.76 2lfb h GLN 26 Cb 0.23 0.04 -0.01 0.00 0.08 0.00 0.00 27.48 27.82 2lfb h GLN 26 CO -0.27 -0.10 -0.32 0.00 0.09 0.00 0.00 178.83 178.22 2lfb h ALA 27 N 0.86 1.01 -0.20 0.06 0.00 -0.91 -0.36 119.26 119.72 2lfb h ALA 27 Ca 0.06 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2lfb h ALA 27 Cb 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2lfb h ALA 27 CO -0.16 0.60 0.07 -0.92 0.00 0.00 0.00 179.25 178.84 2lfb h TYR 28 N 0.42 0.31 -0.56 0.00 3.20 -0.13 0.43 116.97 120.64 2lfb h TYR 28 Ca 0.05 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.92 2lfb h TYR 28 Cb 0.77 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.91 2lfb h TYR 28 CO 0.03 0.37 0.34 1.49 -1.64 0.00 0.00 178.16 178.74 2lfb h GLU 29 N 0.16 0.65 0.30 1.82 4.57 -0.69 0.33 114.58 121.72 2lfb h GLU 29 Ca 0.07 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2lfb h GLU 29 Cb 0.20 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 2lfb h GLU 29 CO -0.00 0.43 -0.14 0.00 -1.18 0.00 0.00 179.01 178.11 2lfb h ARG 30 N 0.66 -0.39 -2.19 1.92 3.08 -0.83 -3.39 114.38 113.26 2lfb h ARG 30 Ca 0.22 0.03 -0.57 0.00 0.07 0.00 0.00 59.98 59.73 2lfb h ARG 30 Cb 0.02 0.09 -0.41 0.00 0.08 0.00 0.00 29.97 29.75 2lfb h ARG 30 CO -0.10 -0.21 -0.78 1.04 -1.07 0.00 0.00 179.97 178.85 2lfb n GLN 31 N -5.04 2.44 -0.33 0.04 1.13 0.15 -4.94 117.38 110.82 2lfb n GLN 31 Ca -0.06 -4.40 0.31 0.00 -1.94 0.00 0.00 57.00 50.92 2lfb n GLN 31 Cb 0.18 -2.05 0.55 0.00 0.11 0.00 0.00 30.24 29.03 2lfb n GLN 31 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 2lfb n LYS 32 N 0.22 -0.04 -3.47 -1.09 2.85 0.12 -3.17 118.16 113.57 2lfb n LYS 32 Ca 0.29 1.17 -0.39 0.00 -1.05 0.00 0.00 58.31 58.33 2lfb n LYS 32 Cb 0.46 -2.18 -0.10 0.00 -0.65 0.00 0.00 35.03 32.56 2lfb n LYS 32 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2lfb s ASN 33 N -4.47 6.15 -0.71 -5.58 0.02 -1.26 -4.97 114.94 104.11 2lfb s ASN 33 Ca -0.07 0.08 -0.26 0.00 -1.02 0.00 0.00 52.86 51.59 2lfb s ASN 33 Cb 0.29 -2.17 -0.03 0.00 0.02 0.00 0.00 41.25 39.36 2lfb s ASN 33 CO 0.70 -0.15 1.88 -2.16 0.02 0.00 0.00 177.10 177.39 2lfb s PRO 34 N 1.93 2.61 0.00 -0.60 0.04 -1.19 -4.85 135.00 132.94 2lfb s PRO 34 Ca 0.11 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.45 2lfb s PRO 34 Cb -0.16 -4.61 0.00 0.00 0.04 0.00 0.00 34.50 29.77 2lfb s PRO 34 CO 0.11 -2.94 0.46 -1.13 0.04 0.00 0.00 177.00 173.54 2lfb n SER 35 N 13.10 0.00 0.04 6.66 3.41 -1.26 -4.82 113.62 130.74 2lfb n SER 35 Ca 0.27 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.35 2lfb n SER 35 Cb 0.50 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2lfb n SER 35 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2lfb n LYS 36 N -0.63 0.00 0.36 4.33 3.00 -1.26 -4.90 118.16 119.07 2lfb n LYS 36 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.14 2lfb n LYS 36 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.94 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 -0.87 -1.00 1.64 5.08 -1.99 -2.29 114.58 115.15 2lfb h GLU 37 Ca 0.00 0.06 0.17 0.00 -1.00 0.00 0.00 59.36 58.59 2lfb h GLU 37 Cb 0.00 0.20 -0.10 0.00 0.50 0.00 0.00 28.75 29.35 2lfb h GLU 37 CO 0.00 -0.56 0.62 1.49 -1.00 0.00 0.00 179.01 179.56 2lfb h GLU 38 N -0.98 0.79 -0.71 2.33 4.57 -1.96 0.26 114.58 118.89 2lfb h GLU 38 Ca -0.09 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.00 2lfb h GLU 38 Cb 0.71 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 29.09 2lfb h GLU 38 CO 0.15 0.52 0.27 -0.09 -1.18 0.00 0.00 179.01 178.69 2lfb h ARG 39 N 0.82 1.08 0.38 1.92 1.12 -1.82 0.29 114.38 118.16 2lfb h ARG 39 Ca 0.54 -0.20 -0.02 0.00 -1.11 0.00 0.00 59.98 59.19 2lfb h ARG 39 Cb 0.78 -0.17 0.00 0.00 -0.01 0.00 0.00 29.97 30.58 2lfb h ARG 39 CO -0.33 0.90 -0.18 1.49 -3.11 0.00 0.00 179.97 178.74 2lfb h GLU 40 N 1.03 -0.49 -0.76 0.20 4.81 -0.06 -3.01 114.58 116.30 2lfb h GLU 40 Ca 0.24 0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.64 2lfb h GLU 40 Cb 0.23 0.11 -0.14 0.00 0.63 0.00 0.00 28.75 29.59 2lfb h GLU 40 CO -0.02 -0.22 -0.27 1.15 -0.73 0.00 0.00 179.01 178.92 2lfb h THR 41 N -0.70 0.16 -0.48 0.32 2.02 -0.57 -1.48 112.91 112.19 2lfb h THR 41 Ca -0.05 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.22 2lfb h THR 41 Cb 0.49 0.16 -0.08 0.00 -1.74 0.00 0.00 68.15 66.99 2lfb h THR 41 CO 0.09 0.00 0.01 -0.07 0.37 0.00 0.00 175.52 175.91 2lfb h LEU 42 N -0.05 -0.19 0.29 2.58 3.38 -0.32 0.33 115.31 121.33 2lfb h LEU 42 Ca 0.33 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.40 2lfb h LEU 42 Cb 0.57 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2lfb h LEU 42 CO -0.80 -0.06 -0.14 0.58 0.09 0.00 0.00 178.44 178.11 2lfb h VAL 43 N 0.12 0.73 0.06 1.22 2.07 -1.15 0.16 116.25 119.46 2lfb h VAL 43 Ca 0.24 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.69 2lfb h VAL 43 Cb 0.36 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2lfb h VAL 43 CO -0.40 0.02 -0.11 -0.08 0.02 0.00 0.00 177.57 177.02 2lfb h GLU 44 N -0.42 -0.18 -0.95 1.57 4.57 -0.87 0.59 114.58 118.88 2lfb h GLU 44 Ca -0.04 0.01 0.19 0.00 -1.18 0.00 0.00 59.36 58.34 2lfb h GLU 44 Cb 0.32 0.04 -0.18 0.00 -0.16 0.00 0.00 28.75 28.77 2lfb h GLU 44 CO 0.07 -0.12 -0.25 0.93 -1.18 0.00 0.00 179.01 178.46 2lfb h GLU 45 N -0.18 -0.00 0.60 1.92 5.08 -0.40 0.21 114.58 121.81 2lfb h GLU 45 Ca -0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2lfb h GLU 45 Cb 0.17 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.43 2lfb h GLU 45 CO -0.05 -0.00 -0.29 0.00 -1.00 0.00 0.00 179.01 177.67 2lfb h ASN 47 N -0.88 0.14 0.25 0.00 -0.26 0.32 0.39 115.58 115.54 2lfb h ASN 47 Ca -0.08 0.10 0.01 0.00 -0.56 0.00 0.00 56.30 55.76 2lfb h ASN 47 Cb 0.65 0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 37.98 2lfb h ASN 47 CO 0.14 0.07 -0.34 -0.09 -1.06 0.00 0.00 177.43 176.14 2lfb h ARG 48 N 0.35 -0.63 -0.94 0.81 2.43 -0.46 0.20 114.38 116.15 2lfb h ARG 48 Ca 0.34 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.59 2lfb h ARG 48 Cb 0.48 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.11 2lfb h ARG 48 CO -0.37 -0.42 0.61 0.00 -1.51 0.00 0.00 179.97 178.28 2lfb h ALA 49 N -0.11 1.25 -0.91 2.80 0.00 -0.30 -2.15 119.26 119.84 2lfb h ALA 49 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2lfb h ALA 49 Cb 0.63 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 2lfb h ALA 49 CO -0.12 0.48 0.60 1.49 0.00 0.00 0.00 179.25 181.69 2lfb h GLU 50 N 1.18 1.15 -0.80 0.00 4.57 0.62 0.34 114.58 121.64 2lfb h GLU 50 Ca 0.38 -0.07 0.13 0.00 -1.18 0.00 0.00 59.36 58.62 2lfb h GLU 50 Cb 0.02 -0.26 -0.09 0.00 -0.16 0.00 0.00 28.75 28.26 2lfb h GLU 50 CO -0.13 0.76 0.39 0.00 -1.18 0.00 0.00 179.01 178.86 2lfb h ILE 52 N 0.59 1.21 -1.08 0.00 2.04 -0.29 0.33 117.51 120.30 2lfb h ILE 52 Ca 0.43 -0.68 0.31 0.00 1.00 0.00 0.00 64.86 65.92 2lfb h ILE 52 Cb 0.57 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 2lfb h ILE 52 CO -0.35 0.23 0.84 1.56 0.00 0.00 0.00 178.15 180.43 2lfb h GLN 53 N 0.34 0.00 -0.17 2.37 7.50 0.21 -1.72 115.11 123.64 2lfb h GLN 53 Ca 0.10 0.00 -0.20 0.00 0.50 0.00 0.00 58.65 59.05 2lfb h GLN 53 Cb 0.26 0.00 -0.39 0.00 0.05 0.00 0.00 27.48 27.40 2lfb h GLN 53 CO -0.00 0.00 -1.06 -2.13 -1.50 0.00 0.00 178.83 174.14 2lfb n ARG 54 N -4.04 0.69 -4.42 1.46 0.63 -1.11 -5.00 116.66 104.87 2lfb n ARG 54 Ca 0.23 -2.60 -0.37 0.00 -0.92 0.00 0.00 57.85 54.20 2lfb n ARG 54 Cb 1.20 -0.64 -0.09 0.00 0.45 0.00 0.00 32.46 33.38 2lfb n ARG 54 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2lfb n GLY 55 N 0.06 -0.26 3.79 5.14 0.00 0.32 -4.90 105.19 109.34 2lfb n GLY 55 Ca 0.07 0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.79 3.60 -0.03 1.61 1.01 0.90 -4.97 120.40 118.73 2lfb s VAL 56 Ca 0.43 1.04 -0.33 0.00 0.00 0.00 0.00 61.98 63.12 2lfb s VAL 56 Cb -0.25 -3.45 -0.16 0.00 0.00 0.00 0.00 36.38 32.52 2lfb s VAL 56 CO 1.01 -0.17 0.91 -1.20 0.00 0.00 0.00 175.10 175.65 2lfb n SER 57 N -0.86 0.07 -0.37 3.32 7.64 -1.26 -4.72 113.62 117.43 2lfb n SER 57 Ca 0.09 0.95 0.02 0.00 1.01 0.00 0.00 58.87 60.94 2lfb n SER 57 Cb 0.51 -0.75 0.17 0.00 -1.01 0.00 0.00 64.21 63.13 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 2.58 1.16 0.00 1.43 0.13 -1.95 0.14 132.00 135.49 2lfb h PRO 58 Ca -0.41 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2lfb h PRO 58 Cb 1.17 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 32.04 2lfb h PRO 58 CO 0.55 0.77 0.00 -1.13 -0.23 0.00 0.00 178.00 177.96 2lfb n SER 59 N -4.49 0.00 -1.23 1.44 3.41 -1.26 -1.14 113.62 110.35 2lfb n SER 59 Ca 0.15 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.77 2lfb n SER 59 Cb 0.17 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.11 2lfb n SER 59 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2lfb n GLN 60 N -0.92 0.00 0.32 4.33 -0.06 0.40 -4.84 117.38 116.61 2lfb n GLN 60 Ca 0.00 -1.56 0.20 0.00 -2.00 0.00 0.00 57.00 53.64 2lfb n GLN 60 Cb 0.00 0.08 1.11 0.00 -4.06 0.00 0.00 30.24 27.36 2lfb n GLN 60 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2lfb h ALA 61 N 0.60 1.20 -0.10 1.69 0.00 -0.08 0.99 119.26 123.55 2lfb h ALA 61 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2lfb h ALA 61 Cb 1.68 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.47 2lfb h ALA 61 CO -0.01 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.28 2lfb n GLN 62 N -3.37 1.30 0.00 0.00 1.13 -1.26 -4.52 117.38 110.66 2lfb n GLN 62 Ca -0.03 -0.46 0.00 0.00 -1.94 0.00 0.00 57.00 54.57 2lfb n GLN 62 Cb 0.08 -1.22 0.00 0.00 0.11 0.00 0.00 30.24 29.21 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 0.82 -0.09 5.00 1.08 0.00 0.33 -5.00 105.19 107.33 2lfb n GLY 63 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.14 0.00 -3.23 0.99 7.99 -1.18 -4.53 117.00 114.90 2lfb n LEU 64 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 56.01 55.77 2lfb n LEU 64 Cb 0.00 0.00 0.04 0.00 -0.11 0.00 0.00 43.42 43.35 2lfb n LEU 64 CO 0.00 0.00 0.06 0.61 -1.51 0.00 0.00 177.39 176.55 2lfb n GLY 65 N 0.00 -0.53 2.01 -0.72 0.00 -1.26 -4.76 105.19 99.93 2lfb n GLY 65 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2lfb n GLY 65 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2lfb n SER 66 N -2.64 -0.18 0.00 1.61 7.64 -1.26 -5.01 113.62 113.78 2lfb n SER 66 Ca -0.07 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.89 2lfb n SER 66 Cb 0.60 0.31 0.00 0.00 -1.01 0.00 0.00 64.21 64.10 2lfb n SER 66 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2lfb n ASN 67 N -2.63 0.09 -4.08 6.43 4.13 -1.26 -4.99 115.26 112.95 2lfb n ASN 67 Ca 0.00 -0.01 -0.58 0.00 1.68 0.00 0.00 54.58 55.67 2lfb n ASN 67 Cb 0.00 0.04 -0.08 0.00 -1.54 0.00 0.00 39.78 38.19 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 -0.04 0.87 -4.58 3.41 7.94 -1.26 -4.84 117.00 118.49 2lfb n LEU 68 Ca 0.00 1.03 -0.41 0.00 -1.11 0.00 0.00 56.01 55.51 2lfb n LEU 68 Cb 0.00 -0.77 -0.07 0.00 0.53 0.00 0.00 43.42 43.11 2lfb n LEU 68 CO 0.00 -0.89 0.32 -0.69 -1.11 0.00 0.00 177.39 175.03 2lfb s VAL 69 N 2.15 4.95 0.28 1.96 1.01 -1.26 -5.07 120.40 124.43 2lfb s VAL 69 Ca 0.89 0.60 -0.02 0.00 0.00 0.00 0.00 61.98 63.45 2lfb s VAL 69 Cb -1.27 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 31.07 2lfb s VAL 69 CO 0.67 -0.21 0.50 0.42 0.00 0.00 0.00 175.10 176.48 2lfb s THR 70 N 2.56 5.11 0.25 3.92 -4.23 -1.26 -4.84 115.64 117.15 2lfb s THR 70 Ca 0.23 -0.26 -0.04 0.00 -1.18 0.00 0.00 61.69 60.43 2lfb s THR 70 Cb -0.15 -3.78 0.26 0.00 1.34 0.00 0.00 72.50 70.17 2lfb s THR 70 CO 0.13 -0.36 1.67 -0.08 -0.54 0.00 0.00 174.62 175.44 2lfb h GLU 71 N 1.45 0.21 -0.41 3.99 4.22 -1.97 0.20 114.58 122.27 2lfb h GLU 71 Ca -0.49 -0.01 0.05 0.00 0.08 0.00 0.00 59.36 58.99 2lfb h GLU 71 Cb 1.20 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 2lfb h GLU 71 CO 0.65 0.14 0.28 -0.24 -2.18 0.00 0.00 179.01 177.66 2lfb h VAL 72 N 0.22 0.97 -0.02 0.32 3.04 -1.98 0.40 116.25 119.21 2lfb h VAL 72 Ca 0.44 -0.12 0.01 0.00 -1.01 0.00 0.00 66.70 66.02 2lfb h VAL 72 Cb 0.79 0.60 -0.01 0.00 -2.01 0.00 0.00 31.29 30.66 2lfb h VAL 72 CO -0.57 0.06 -0.02 0.03 -1.01 0.00 0.00 177.57 176.05 2lfb h ARG 73 N 0.34 -0.04 0.67 4.17 2.47 -1.34 0.15 114.38 120.81 2lfb h ARG 73 Ca 0.18 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.87 2lfb h ARG 73 Cb 0.27 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.59 2lfb h ARG 73 CO -0.04 -0.02 -0.47 0.28 0.56 0.00 0.00 179.97 180.27 2lfb h VAL 74 N -0.04 0.06 -0.72 2.04 2.07 -1.23 0.65 116.25 119.09 2lfb h VAL 74 Ca 0.02 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.66 2lfb h VAL 74 Cb 0.06 0.06 -0.09 0.00 -1.52 0.00 0.00 31.29 29.80 2lfb h VAL 74 CO -0.04 0.00 0.29 0.22 0.02 0.00 0.00 177.57 178.06 2lfb h TYR 75 N -1.09 0.50 -0.32 1.57 3.20 -0.67 0.14 116.97 120.30 2lfb h TYR 75 Ca -0.09 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.75 2lfb h TYR 75 Cb 0.90 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 2lfb h TYR 75 CO -0.15 0.10 -0.06 -0.97 -1.64 0.00 0.00 178.16 175.43 2lfb h ASN 76 N 0.46 0.62 -0.72 -2.11 -0.73 -0.70 0.70 115.58 113.09 2lfb h ASN 76 Ca 0.38 -0.35 0.11 0.00 1.87 0.00 0.00 56.30 58.30 2lfb h ASN 76 Cb 0.53 -0.17 -0.08 0.00 0.27 0.00 0.00 38.32 38.87 2lfb h ASN 76 CO -0.36 0.83 0.34 -0.25 -0.37 0.00 0.00 177.43 177.62 2lfb h TRP 77 N 0.40 0.61 -0.11 0.67 7.01 0.16 0.13 115.95 124.82 2lfb h TRP 77 Ca 0.08 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.09 2lfb h TRP 77 Cb 0.55 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 27.44 2lfb h TRP 77 CO 0.05 0.19 -0.05 0.74 -2.79 0.00 0.00 178.44 176.58 2lfb h PHE 78 N 0.56 0.26 -0.99 2.65 -1.00 -0.75 -0.48 116.94 117.19 2lfb h PHE 78 Ca 0.37 -0.06 0.11 0.00 2.81 0.00 0.00 57.97 61.19 2lfb h PHE 78 Cb 0.43 -0.06 -0.08 0.00 3.61 0.00 0.00 35.95 39.85 2lfb h PHE 78 CO -0.12 0.56 0.63 0.00 -1.61 0.00 0.00 178.31 177.78 2lfb h ALA 79 N 0.66 1.51 0.00 2.45 0.00 -0.34 0.78 119.26 124.32 2lfb h ALA 79 Ca 0.03 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 2lfb h ALA 79 Cb 0.49 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2lfb h ALA 79 CO 0.01 0.27 -0.68 -0.97 0.00 0.00 0.00 179.25 177.89 2lfb h ASN 80 N 1.03 0.00 -0.88 0.00 -1.24 -0.70 -3.23 115.58 110.56 2lfb h ASN 80 Ca 0.48 0.00 0.14 0.00 0.71 0.00 0.00 56.30 57.63 2lfb h ASN 80 Cb 0.41 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 39.37 2lfb h ASN 80 CO -0.24 0.68 0.48 -0.09 -1.29 0.00 0.00 177.43 176.97 2lfb h ARG 81 N 0.00 0.66 -0.85 6.67 9.65 0.89 0.15 114.38 131.55 2lfb h ARG 81 Ca -0.01 -0.04 0.16 0.00 -1.10 0.00 0.00 59.98 58.99 2lfb h ARG 81 Cb 1.28 -0.15 -0.16 0.00 -1.39 0.00 0.00 29.97 29.55 2lfb h ARG 81 CO 0.09 0.44 -0.26 0.00 2.80 0.00 0.00 179.97 183.04 2lfb h ARG 82 N 0.68 -0.02 -0.01 0.20 2.47 -1.51 0.16 114.38 116.35 2lfb h ARG 82 Ca 0.47 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 59.09 2lfb h ARG 82 Cb 0.64 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.98 2lfb h ARG 82 CO -0.35 -0.01 -0.41 -0.22 0.56 0.00 0.00 179.97 179.54 2lfb h LYS 83 N -0.02 0.29 -0.95 0.04 1.63 -0.98 0.40 116.57 116.99 2lfb h LYS 83 Ca 0.38 -0.31 0.25 0.00 -0.85 0.00 0.00 60.65 60.13 2lfb h LYS 83 Cb 0.62 0.08 -0.13 0.00 -0.60 0.00 0.00 32.23 32.20 2lfb h LYS 83 CO -0.88 1.00 0.46 1.49 -3.45 0.00 0.00 179.45 178.08 2lfb h GLU 84 N -0.29 0.39 0.02 1.90 4.81 -0.28 0.13 114.58 121.25 2lfb h GLU 84 Ca -0.05 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.01 2lfb h GLU 84 Cb 1.14 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 2lfb h GLU 84 CO 0.08 0.26 -0.77 1.49 -0.73 0.00 0.00 179.01 179.34 2lfb h GLU 85 N 0.40 0.04 -0.61 1.92 4.81 -0.59 -2.99 114.58 117.55 2lfb h GLU 85 Ca 0.62 -0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.87 2lfb h GLU 85 Cb 1.26 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.59 2lfb h GLU 85 CO -0.55 1.03 0.26 0.00 -0.73 0.00 0.00 179.01 179.02 2lfb h ALA 86 N -0.23 0.81 -0.17 2.92 0.00 -0.76 0.13 119.26 121.96 2lfb h ALA 86 Ca -0.20 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2lfb h ALA 86 Cb 1.25 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 2lfb h ALA 86 CO -0.09 -0.14 -0.35 0.74 0.00 0.00 0.00 179.25 179.42 2lfb h PHE 87 N 0.47 -1.04 -0.55 0.00 0.04 -0.84 -2.06 116.94 112.96 2lfb h PHE 87 Ca 0.30 0.04 0.07 0.00 2.80 0.00 0.00 57.97 61.18 2lfb h PHE 87 Cb 0.33 0.48 -0.03 0.00 2.20 0.00 0.00 35.95 38.92 2lfb h PHE 87 CO -0.14 -0.33 0.37 -0.09 -0.60 0.00 0.00 178.31 177.52 2lfb h ARG 88 N -0.31 0.47 -0.93 1.51 1.12 -1.18 0.20 114.38 115.27 2lfb h ARG 88 Ca 0.03 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.87 2lfb h ARG 88 Cb 0.40 -0.11 -0.04 0.00 -0.01 0.00 0.00 29.97 30.21 2lfb h ARG 88 CO -0.32 0.31 0.56 1.25 -3.11 0.00 0.00 179.97 178.66 2lfb h HIS 89 N 0.49 1.23 0.00 2.20 2.76 -0.12 -3.18 115.15 118.52 2lfb h HIS 89 Ca 0.24 -0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 58.20 2lfb h HIS 89 Cb 0.33 -0.40 -0.03 0.00 1.55 0.00 0.00 27.41 28.86 2lfb h HIS 89 CO -0.00 0.81 -1.24 1.17 -1.30 0.00 0.00 177.93 177.37 2lfb n LYS 90 N -4.35 0.54 0.00 5.26 0.00 -0.54 -4.88 118.16 114.19 2lfb n LYS 90 Ca 0.10 0.53 0.00 0.00 0.00 0.00 0.00 58.31 58.94 2lfb n LYS 90 Cb 0.06 -1.70 0.00 0.00 0.00 0.00 0.00 35.03 33.39 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 -4.45 0.00 -4.04 3.14 7.99 0.60 -4.86 117.00 115.37 2lfb n LEU 91 Ca -0.29 0.00 -0.33 0.00 -0.01 0.00 0.00 56.01 55.37 2lfb n LEU 91 Cb 0.62 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.91 2lfb n LEU 91 CO 0.15 0.00 -0.01 0.00 -1.51 0.00 0.00 177.39 176.02 2lfb n ALA 92 N -3.00 -1.21 -1.54 -1.18 0.00 -1.20 -4.82 120.51 107.56 2lfb n ALA 92 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2lfb n ALA 92 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 19.45 16.01 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 -4.27 0.00 -2.82 0.00 0.00 -1.26 -4.90 117.12 103.87 2lfb n MET 93 Ca 0.06 -0.48 -0.01 0.00 0.00 0.00 0.00 57.70 57.28 2lfb n MET 93 Cb 0.50 -0.35 0.05 0.00 0.00 0.00 0.00 33.22 33.41 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 0.00 1.55 0.00 3.17 2.03 -1.26 -5.11 116.55 116.92 2lfb n ASP 94 Ca 0.00 -2.09 0.00 0.00 0.52 0.00 0.00 54.79 53.22 2lfb n ASP 94 Cb 0.55 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 2lfb n ASP 94 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2lfb n THR 95 N -0.55 0.00 -0.62 5.18 -1.04 -1.26 -4.89 114.28 111.10 2lfb n THR 95 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 2lfb n THR 95 Cb 0.80 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.31 2lfb n THR 95 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2lfb n TYR 96 N 14.00 -0.05 0.01 -1.42 9.36 -1.26 -4.84 117.16 132.96 2lfb n TYR 96 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2lfb n TYR 96 Cb 0.00 0.02 0.00 0.00 -0.63 0.00 0.00 39.34 38.73 2lfb n TYR 96 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 2lfb n LYS 97 N 0.00 0.00 -3.10 2.98 4.81 -1.26 -5.04 118.16 116.55 2lfb n LYS 97 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.46 2lfb n LYS 97 Cb 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.05 2lfb n LYS 97 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2lfb s LEU 98 N -4.09 -1.22 0.00 3.14 1.98 -1.26 -4.72 118.68 112.51 2lfb s LEU 98 Ca 0.00 -0.46 0.00 0.00 -2.89 0.00 0.00 54.13 50.78 2lfb s LEU 98 Cb 0.00 1.59 0.00 0.00 0.66 0.00 0.00 46.19 48.44 2lfb s LEU 98 CO 0.00 -0.15 0.00 -0.46 -1.89 0.00 0.00 176.35 173.85