#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 0.00 -1.96 3.17 0.00 -1.26 -4.45 120.51 116.01 2lfb n ALA 1 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2lfb n ALA 1 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2lfb n ALA 1 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2lfb s ARG 2 N 0.00 4.24 -0.56 0.00 3.00 -1.26 -4.88 118.95 119.50 2lfb s ARG 2 Ca 0.00 2.31 -0.25 0.00 -1.00 0.00 0.00 55.73 56.79 2lfb s ARG 2 Cb 0.00 -3.16 -0.23 0.00 0.00 0.00 0.00 34.95 31.56 2lfb s ARG 2 CO 0.00 -0.55 1.82 0.44 0.00 0.00 0.00 175.30 177.01 2lfb n ILE 3 N 3.66 1.14 -1.68 4.11 -5.35 -1.26 -4.90 119.36 115.08 2lfb n ILE 3 Ca 0.12 -1.02 -0.43 0.00 -0.27 0.00 0.00 62.75 61.16 2lfb n ILE 3 Cb 0.39 -2.19 -0.03 0.00 -1.74 0.00 0.00 39.64 36.07 2lfb n ILE 3 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2lfb n ASP 4 N 9.08 4.05 -4.00 7.28 5.75 -1.26 -4.84 116.55 132.61 2lfb n ASP 4 Ca 0.48 0.97 -0.40 0.00 -0.01 0.00 0.00 54.79 55.82 2lfb n ASP 4 Cb 0.42 -1.53 -0.03 0.00 -1.03 0.00 0.00 41.12 38.95 2lfb n ASP 4 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 2lfb n PRO 5 N 6.14 2.31 -3.76 0.11 -0.04 -1.26 -4.59 135.00 133.92 2lfb n PRO 5 Ca 0.19 -2.48 -0.30 0.00 -0.04 0.00 0.00 63.50 60.86 2lfb n PRO 5 Cb 0.38 -3.29 0.03 0.00 -0.04 0.00 0.00 33.50 30.58 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 6.05 -5.02 -1.71 0.52 -2.24 -1.26 -4.83 114.28 105.79 2lfb n THR 6 Ca 0.50 -0.82 -0.41 0.00 -2.27 0.00 0.00 64.05 61.05 2lfb n THR 6 Cb 0.42 -3.84 -0.03 0.00 -2.10 0.00 0.00 70.33 64.78 2lfb n THR 6 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2lfb n LYS 7 N -4.28 2.26 -3.80 -0.78 -0.00 -1.26 -4.49 118.16 105.81 2lfb n LYS 7 Ca -0.16 -2.43 -0.25 0.00 -0.00 0.00 0.00 58.31 55.48 2lfb n LYS 7 Cb 0.62 -3.26 0.01 0.00 -0.00 0.00 0.00 35.03 32.40 2lfb n LYS 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2lfb n LYS 8 N 7.09 -3.36 0.00 -1.58 3.00 -1.26 -4.94 118.16 117.11 2lfb n LYS 8 Ca 0.50 0.49 0.00 0.00 -0.00 0.00 0.00 58.31 59.30 2lfb n LYS 8 Cb 0.42 -4.67 0.00 0.00 0.00 0.00 0.00 35.03 30.77 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 -1.78 1.44 0.00 3.14 0.00 -1.26 -5.08 105.19 101.65 2lfb n GLY 9 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.49 0.00 -1.62 1.61 1.74 -1.26 -5.09 116.66 111.55 2lfb n ARG 10 Ca 0.00 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.69 2lfb n ARG 10 Cb 0.00 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.48 2lfb n ARG 10 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2lfb n ARG 11 N 0.00 1.09 -1.06 5.56 0.00 -1.26 -1.75 116.66 119.24 2lfb n ARG 11 Ca 0.00 0.41 -0.02 0.00 -0.00 0.00 0.00 57.85 58.24 2lfb n ARG 11 Cb 0.00 -2.15 -0.01 0.00 0.00 0.00 0.00 32.46 30.30 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 -0.36 -3.48 -0.34 6.15 2.85 -1.26 -4.94 115.26 113.88 2lfb n ASN 12 Ca 0.12 0.05 0.05 0.00 -0.11 0.00 0.00 54.58 54.70 2lfb n ASN 12 Cb 0.45 -1.16 0.21 0.00 1.24 0.00 0.00 39.78 40.52 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 0.36 0.93 -6.21 1.20 0.11 -1.72 -3.42 114.38 105.62 2lfb h ARG 13 Ca -0.04 -0.06 -0.54 0.00 0.10 0.00 0.00 59.98 59.44 2lfb h ARG 13 Cb 0.21 -0.21 -0.06 0.00 1.11 0.00 0.00 29.97 31.02 2lfb h ARG 13 CO 0.06 0.62 -0.56 0.12 0.10 0.00 0.00 179.97 180.31 2lfb s PHE 14 N -5.99 3.07 -0.07 4.08 5.36 -1.26 -4.75 117.98 118.41 2lfb s PHE 14 Ca -0.12 -0.09 -0.04 0.00 -0.96 0.00 0.00 56.93 55.72 2lfb s PHE 14 Cb 0.21 -1.42 0.04 0.00 -0.34 0.00 0.00 43.02 41.51 2lfb s PHE 14 CO 0.80 0.53 0.17 -1.59 -1.46 0.00 0.00 175.22 173.67 2lfb s LYS 15 N -3.51 0.13 1.06 10.12 -2.85 -1.26 -5.12 119.74 118.31 2lfb s LYS 15 Ca 0.32 0.39 -0.12 0.00 -1.00 0.00 0.00 55.97 55.55 2lfb s LYS 15 Cb -0.09 -0.14 0.22 0.00 -2.06 0.00 0.00 37.83 35.77 2lfb s LYS 15 CO 0.23 -0.15 1.07 -1.58 0.10 0.00 0.00 175.35 175.02 2lfb s TRP 16 N 1.06 1.74 0.95 1.78 0.52 -1.26 -4.94 118.94 118.79 2lfb s TRP 16 Ca -0.08 1.17 -0.15 0.00 0.02 0.00 0.00 56.10 57.06 2lfb s TRP 16 Cb -0.10 -3.18 0.20 0.00 -1.15 0.00 0.00 33.47 29.24 2lfb s TRP 16 CO -0.06 -3.29 1.31 0.20 0.02 0.00 0.00 176.95 175.13 2lfb s GLY 17 N -2.95 1.78 -0.00 0.98 0.00 -1.26 -5.02 107.32 100.85 2lfb s GLY 17 Ca 0.67 -1.22 -0.01 0.00 0.00 0.00 0.00 44.72 44.15 2lfb s GLY 17 CO 0.61 -0.46 0.57 -0.56 0.00 0.00 0.00 173.10 173.26 2lfb h PRO 18 N -1.61 -0.04 -0.99 2.90 0.13 -1.97 -3.27 132.00 127.16 2lfb h PRO 18 Ca -0.44 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.82 2lfb h PRO 18 Cb 1.24 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.29 2lfb h PRO 18 CO 0.38 -0.03 0.62 0.00 -0.23 0.00 0.00 178.00 178.75 2lfb h ALA 19 N -1.96 1.58 -0.96 -0.56 0.00 -1.97 0.11 119.26 115.50 2lfb h ALA 19 Ca -0.00 0.02 0.33 0.00 0.00 0.00 0.00 54.91 55.26 2lfb h ALA 19 Cb 0.03 -0.19 -0.18 0.00 0.00 0.00 0.00 17.79 17.46 2lfb h ALA 19 CO 0.01 0.16 0.25 0.45 0.00 0.00 0.00 179.25 180.12 2lfb n SER 20 N -4.62 0.09 -0.20 0.00 2.88 -1.26 -0.07 113.62 110.45 2lfb n SER 20 Ca 0.19 1.62 0.10 0.00 -1.33 0.00 0.00 58.87 59.45 2lfb n SER 20 Cb 0.39 -0.68 0.40 0.00 -0.75 0.00 0.00 64.21 63.57 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 0.63 0.10 -1.46 1.08 -0.82 -0.70 115.11 113.94 2lfb h GLN 21 Ca 0.69 -0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.87 2lfb h GLN 21 Cb 1.64 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 28.90 2lfb h GLN 21 CO -0.83 0.42 -0.22 0.37 -0.95 0.00 0.00 178.83 177.62 2lfb h GLN 22 N 0.65 -0.39 -0.58 1.46 5.75 -0.63 0.11 115.11 121.48 2lfb h GLN 22 Ca 0.36 0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.95 2lfb h GLN 22 Cb 0.53 0.09 -0.05 0.00 1.07 0.00 0.00 27.48 29.12 2lfb h GLN 22 CO -0.14 -0.26 0.28 0.82 -2.65 0.00 0.00 178.83 176.89 2lfb h ILE 23 N -0.40 0.91 0.00 2.39 5.03 -1.43 -0.39 117.51 123.62 2lfb h ILE 23 Ca 0.03 -0.18 0.00 0.00 -0.12 0.00 0.00 64.86 64.59 2lfb h ILE 23 Cb 0.43 0.34 0.00 0.00 -3.03 0.00 0.00 36.82 34.56 2lfb h ILE 23 CO -0.13 0.10 0.00 0.18 -0.68 0.00 0.00 178.15 177.62 2lfb n LEU 24 N -4.89 0.02 0.01 1.44 4.77 -0.33 -0.68 117.00 117.34 2lfb n LEU 24 Ca 0.07 0.50 -0.02 0.00 -0.03 0.00 0.00 56.01 56.53 2lfb n LEU 24 Cb 0.18 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.77 2lfb n LEU 24 CO 0.27 -0.16 0.05 -0.26 -1.33 0.00 0.00 177.39 175.97 2lfb h PHE 25 N 0.00 -0.10 -0.48 -1.77 0.04 0.18 -3.31 116.94 111.49 2lfb h PHE 25 Ca 0.00 -0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.86 2lfb h PHE 25 Cb 0.35 0.03 -0.09 0.00 2.20 0.00 0.00 35.95 38.44 2lfb h PHE 25 CO 0.00 -0.06 -0.14 -0.56 -0.60 0.00 0.00 178.31 176.94 2lfb h GLN 26 N -0.84 -0.03 -0.04 1.51 3.07 0.54 0.25 115.11 119.57 2lfb h GLN 26 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.68 2lfb h GLN 26 Cb 0.09 0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.65 2lfb h GLN 26 CO 0.02 -0.02 -0.15 0.00 0.09 0.00 0.00 178.83 178.77 2lfb h ALA 27 N 1.42 0.08 0.00 0.06 0.00 -1.15 -0.21 119.26 119.46 2lfb h ALA 27 Ca 0.23 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2lfb h ALA 27 Cb 0.38 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2lfb h ALA 27 CO -0.51 0.00 -0.09 -0.92 0.00 0.00 0.00 179.25 177.74 2lfb h TYR 28 N -0.37 0.00 0.03 0.00 3.20 -1.45 0.12 116.97 118.50 2lfb h TYR 28 Ca -0.01 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 2lfb h TYR 28 Cb 0.78 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.05 2lfb h TYR 28 CO 0.13 0.09 -0.01 1.49 -1.64 0.00 0.00 178.16 178.22 2lfb h GLU 29 N 0.00 -0.04 -0.12 1.82 4.57 -0.39 -3.08 114.58 117.35 2lfb h GLU 29 Ca -0.00 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.01 2lfb h GLU 29 Cb 0.28 0.01 0.01 0.00 -0.16 0.00 0.00 28.75 28.89 2lfb h GLU 29 CO 0.01 0.58 -0.59 -0.09 -1.18 0.00 0.00 179.01 177.74 2lfb h ARG 30 N -0.96 0.61 -2.16 1.92 1.12 -0.42 -3.24 114.38 111.25 2lfb h ARG 30 Ca -0.00 -0.50 -0.56 0.00 -1.11 0.00 0.00 59.98 57.81 2lfb h ARG 30 Cb 0.64 0.10 -0.42 0.00 -0.01 0.00 0.00 29.97 30.29 2lfb h ARG 30 CO 0.01 1.12 -0.78 0.94 -3.11 0.00 0.00 179.97 178.15 2lfb n GLN 31 N -4.14 2.72 -0.48 0.20 7.27 -0.03 -4.91 117.38 118.02 2lfb n GLN 31 Ca -0.08 -4.49 0.43 0.00 0.07 0.00 0.00 57.00 52.92 2lfb n GLN 31 Cb 0.65 -2.11 0.78 0.00 2.41 0.00 0.00 30.24 31.98 2lfb n GLN 31 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2lfb h LYS 32 N 2.96 0.00 -3.91 3.69 1.63 -1.56 -2.48 116.57 116.90 2lfb h LYS 32 Ca 0.13 0.00 -0.76 0.00 -0.85 0.00 0.00 60.65 59.17 2lfb h LYS 32 Cb 0.64 0.00 -0.28 0.00 -0.60 0.00 0.00 32.23 31.99 2lfb h LYS 32 CO 0.75 0.00 -0.12 0.54 -3.45 0.00 0.00 179.45 177.17 2lfb s ASN 33 N -4.65 6.23 -0.50 4.20 2.20 -1.26 -5.02 114.94 116.14 2lfb s ASN 33 Ca -0.05 -2.44 -0.28 0.00 -0.94 0.00 0.00 52.86 49.16 2lfb s ASN 33 Cb 0.24 -2.12 0.00 0.00 -2.00 0.00 0.00 41.25 37.38 2lfb s ASN 33 CO 0.84 -0.61 1.55 -2.16 -2.94 0.00 0.00 177.10 173.79 2lfb s PRO 34 N 0.57 3.25 0.00 3.55 0.04 -0.94 -4.95 135.00 136.52 2lfb s PRO 34 Ca 0.13 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.91 2lfb s PRO 34 Cb -0.18 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.20 2lfb s PRO 34 CO -0.04 -1.99 0.00 0.45 0.04 0.00 0.00 177.00 175.46 2lfb n SER 35 N 10.08 0.00 -0.01 6.66 2.88 -1.26 -4.93 113.62 127.04 2lfb n SER 35 Ca 0.16 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.68 2lfb n SER 35 Cb 0.49 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.94 2lfb n SER 35 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2lfb n LYS 36 N 0.00 0.16 -0.03 -1.46 0.00 -1.26 -4.83 118.16 110.73 2lfb n LYS 36 Ca 0.00 0.06 -0.11 0.00 0.00 0.00 0.00 58.31 58.26 2lfb n LYS 36 Cb 0.00 -0.68 -0.05 0.00 0.00 0.00 0.00 35.03 34.30 2lfb n LYS 36 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 2lfb h GLU 37 N -0.29 0.22 -0.35 1.64 4.22 -2.01 -3.27 114.58 114.74 2lfb h GLU 37 Ca 0.00 -0.03 0.08 0.00 0.08 0.00 0.00 59.36 59.48 2lfb h GLU 37 Cb 0.29 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.42 2lfb h GLU 37 CO 0.00 0.27 -0.22 1.49 -2.18 0.00 0.00 179.01 178.37 2lfb h GLU 38 N 0.11 -0.16 -0.49 1.92 4.57 -1.95 -0.92 114.58 117.66 2lfb h GLU 38 Ca 0.05 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 2lfb h GLU 38 Cb 0.12 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 2lfb h GLU 38 CO -0.01 -0.11 0.29 0.00 -1.18 0.00 0.00 179.01 178.00 2lfb h ARG 39 N -0.17 0.68 0.26 1.92 3.08 -1.88 0.47 114.38 118.73 2lfb h ARG 39 Ca 0.17 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.16 2lfb h ARG 39 Cb 0.44 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 2lfb h ARG 39 CO -0.45 0.51 -0.33 0.93 -1.07 0.00 0.00 179.97 179.56 2lfb h GLU 40 N 0.66 -0.62 -0.82 0.04 3.07 -1.32 -0.08 114.58 115.51 2lfb h GLU 40 Ca 0.18 0.04 0.20 0.00 -0.50 0.00 0.00 59.36 59.28 2lfb h GLU 40 Cb 0.01 0.14 -0.14 0.00 -0.84 0.00 0.00 28.75 27.93 2lfb h GLU 40 CO -0.03 -0.41 0.09 1.15 -1.40 0.00 0.00 179.01 178.41 2lfb h THR 41 N -0.64 0.31 -0.36 1.13 2.02 -0.83 -1.02 112.91 113.52 2lfb h THR 41 Ca -0.00 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 2lfb h THR 41 Cb 0.61 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 2lfb h THR 41 CO -0.11 0.03 0.16 0.25 0.37 0.00 0.00 175.52 176.22 2lfb h LEU 42 N 0.14 0.48 0.17 2.58 6.46 0.17 0.31 115.31 125.62 2lfb h LEU 42 Ca 0.48 -0.14 0.01 0.00 -0.12 0.00 0.00 57.88 58.11 2lfb h LEU 42 Cb 0.90 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.68 2lfb h LEU 42 CO -0.68 0.49 -0.25 0.58 -0.62 0.00 0.00 178.44 177.95 2lfb h VAL 43 N 0.44 0.45 0.20 1.05 2.07 -0.51 -0.79 116.25 119.16 2lfb h VAL 43 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 2lfb h VAL 43 Cb 0.14 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2lfb h VAL 43 CO -0.01 0.00 -0.37 -0.08 0.02 0.00 0.00 177.57 177.13 2lfb h GLU 44 N -0.49 -0.59 -0.47 1.57 4.22 -0.22 0.40 114.58 119.00 2lfb h GLU 44 Ca 0.02 0.04 0.10 0.00 0.08 0.00 0.00 59.36 59.59 2lfb h GLU 44 Cb 0.49 0.13 -0.10 0.00 0.50 0.00 0.00 28.75 29.77 2lfb h GLU 44 CO -0.11 -0.39 -0.18 1.49 -2.18 0.00 0.00 179.01 177.64 2lfb h GLU 45 N -0.61 -0.07 -0.69 1.92 4.57 -0.49 0.38 114.58 119.58 2lfb h GLU 45 Ca -0.02 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 2lfb h GLU 45 Cb 0.57 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.14 2lfb h GLU 45 CO -0.14 -0.05 0.37 0.00 -1.18 0.00 0.00 179.01 178.01 2lfb h ASN 47 N 0.96 0.20 0.01 0.00 -0.26 0.87 0.38 115.58 117.73 2lfb h ASN 47 Ca 0.24 0.04 0.02 0.00 -0.56 0.00 0.00 56.30 56.04 2lfb h ASN 47 Cb 0.06 0.01 -0.05 0.00 -1.06 0.00 0.00 38.32 37.28 2lfb h ASN 47 CO -0.04 0.15 -0.53 -0.09 -1.06 0.00 0.00 177.43 175.86 2lfb h ARG 48 N 0.34 -0.65 0.00 0.81 2.43 -0.39 0.56 114.38 117.47 2lfb h ARG 48 Ca 0.18 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 2lfb h ARG 48 Cb 0.14 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2lfb h ARG 48 CO -0.17 -0.44 0.00 0.00 -1.51 0.00 0.00 179.97 177.86 2lfb h ALA 49 N -0.45 1.00 0.12 2.80 0.00 0.02 0.47 119.26 123.22 2lfb h ALA 49 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.65 2lfb h ALA 49 Cb 0.72 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.52 2lfb h ALA 49 CO -0.35 0.00 -1.21 0.93 0.00 0.00 0.00 179.25 178.62 2lfb h GLU 50 N 0.00 0.36 -2.04 0.00 5.08 0.06 -3.34 114.58 114.70 2lfb h GLU 50 Ca 0.00 -0.54 -0.17 0.00 -1.00 0.00 0.00 59.36 57.64 2lfb h GLU 50 Cb 0.42 0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 2lfb h GLU 50 CO 0.00 1.23 -0.33 0.00 -1.00 0.00 0.00 179.01 178.91 2lfb n ILE 52 N 2.48 0.13 -0.31 0.00 5.41 -1.10 -4.68 119.36 121.29 2lfb n ILE 52 Ca 0.39 0.04 0.13 0.00 1.00 0.00 0.00 62.75 64.31 2lfb n ILE 52 Cb 0.86 -0.64 0.31 0.00 -0.71 0.00 0.00 39.64 39.45 2lfb n ILE 52 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 176.55 176.61 2lfb h GLN 53 N 0.00 0.49 -0.31 0.38 3.07 -1.67 -0.21 115.11 116.86 2lfb h GLN 53 Ca 0.00 -0.03 -0.24 0.00 0.09 0.00 0.00 58.65 58.47 2lfb h GLN 53 Cb 0.03 -0.11 -0.21 0.00 0.08 0.00 0.00 27.48 27.26 2lfb h GLN 53 CO 0.00 0.32 -0.69 0.54 0.09 0.00 0.00 178.83 179.09 2lfb n ARG 54 N -4.96 2.27 0.00 0.06 1.74 -1.25 -5.04 116.66 109.48 2lfb n ARG 54 Ca 0.22 -3.56 0.00 0.00 -0.77 0.00 0.00 57.85 53.74 2lfb n ARG 54 Cb 0.62 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 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 -0.83 0.22 1.64 -0.13 0.00 -0.09 -4.92 105.19 101.09 2lfb n GLY 55 Ca 0.27 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.90 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 -4.36 -1.81 1.61 0.31 -1.26 -2.70 118.33 110.12 2lfb n VAL 56 Ca 0.00 2.01 -0.42 0.00 -0.01 0.00 0.00 64.34 65.92 2lfb n VAL 56 Cb 0.00 -2.71 -0.03 0.00 -0.91 0.00 0.00 33.84 30.19 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 -2.93 6.45 0.28 4.52 0.01 -1.26 -4.82 113.70 115.96 2lfb s SER 57 Ca 0.00 2.79 -0.03 0.00 1.31 0.00 0.00 55.95 60.03 2lfb s SER 57 Cb 0.00 -2.60 0.39 0.00 0.21 0.00 0.00 66.02 64.02 2lfb s SER 57 CO 0.00 -0.91 1.93 1.55 0.41 0.00 0.00 173.24 176.22 2lfb h PRO 58 N 6.48 1.16 -0.53 12.44 0.13 -1.90 0.27 132.00 150.05 2lfb h PRO 58 Ca -0.43 -0.07 0.15 0.00 -0.87 0.00 0.00 66.00 64.78 2lfb h PRO 58 Cb 1.20 -0.26 -0.02 0.00 0.13 0.00 0.00 31.00 32.05 2lfb h PRO 58 CO 0.92 0.77 0.40 0.66 -0.23 0.00 0.00 178.00 180.51 2lfb h SER 59 N 1.20 0.00 -0.57 1.44 4.64 -2.02 0.34 113.55 118.57 2lfb h SER 59 Ca 0.36 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.51 2lfb h SER 59 Cb -0.03 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 61.96 2lfb h SER 59 CO -0.10 0.00 0.16 1.67 -0.87 0.00 0.00 176.83 177.69 2lfb n GLN 60 N -4.28 3.18 0.23 4.77 7.27 0.90 -4.45 117.38 125.00 2lfb n GLN 60 Ca 0.10 -3.05 0.16 0.00 0.07 0.00 0.00 57.00 54.27 2lfb n GLN 60 Cb 0.62 -2.06 0.68 0.00 2.41 0.00 0.00 30.24 31.89 2lfb n GLN 60 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2lfb h ALA 61 N 2.14 1.00 -0.00 1.69 0.00 -0.45 -0.73 119.26 122.90 2lfb h ALA 61 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2lfb h ALA 61 Cb 2.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.83 2lfb h ALA 61 CO 0.57 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.86 2lfb n GLN 62 N -2.77 1.08 0.00 0.00 1.13 -1.26 -4.59 117.38 110.96 2lfb n GLN 62 Ca 0.01 -0.12 0.00 0.00 -1.94 0.00 0.00 57.00 54.95 2lfb n GLN 62 Cb 0.24 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.10 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 1.01 1.37 5.00 1.08 0.00 -0.28 -4.85 105.19 108.52 2lfb n GLY 63 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 0.00 0.00 0.99 4.32 -1.26 -4.74 117.00 116.32 2lfb n LEU 64 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2lfb n LEU 64 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2lfb n LEU 64 CO 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 2lfb n GLY 65 N 0.00 1.12 0.27 -0.72 0.00 -1.26 -4.65 105.19 99.95 2lfb n GLY 65 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 2lfb n GLY 65 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2lfb n SER 66 N 2.68 -0.69 -1.43 1.61 2.88 -1.26 -3.89 113.62 113.52 2lfb n SER 66 Ca 0.00 1.21 -0.05 0.00 -1.33 0.00 0.00 58.87 58.70 2lfb n SER 66 Cb 0.00 -0.18 -0.02 0.00 -0.75 0.00 0.00 64.21 63.27 2lfb n SER 66 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2lfb n ASN 67 N -4.72 -1.00 -4.67 -3.46 3.02 -1.26 -5.02 115.26 98.15 2lfb n ASN 67 Ca 0.01 -2.05 -0.57 0.00 -0.03 0.00 0.00 54.58 51.94 2lfb n ASN 67 Cb 0.17 0.36 -0.07 0.00 -0.61 0.00 0.00 39.78 39.63 2lfb n ASN 67 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2lfb n LEU 68 N -0.35 1.90 -4.69 3.41 7.94 -1.25 -4.88 117.00 119.07 2lfb n LEU 68 Ca -0.24 1.10 -0.42 0.00 -1.11 0.00 0.00 56.01 55.34 2lfb n LEU 68 Cb 0.76 -1.11 -0.03 0.00 0.53 0.00 0.00 43.42 43.57 2lfb n LEU 68 CO -0.14 -0.75 1.13 -0.69 -1.11 0.00 0.00 177.39 175.84 2lfb s VAL 69 N 2.38 3.61 0.31 1.96 1.01 -1.26 -4.96 120.40 123.45 2lfb s VAL 69 Ca 0.95 1.03 0.04 0.00 0.00 0.00 0.00 61.98 63.99 2lfb s VAL 69 Cb -1.09 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 31.56 2lfb s VAL 69 CO 0.61 0.01 0.04 0.42 0.00 0.00 0.00 175.10 176.18 2lfb s THR 70 N 2.29 1.23 0.13 3.92 -4.23 -1.26 -4.80 115.64 112.92 2lfb s THR 70 Ca 0.65 -2.02 -0.26 0.00 -1.18 0.00 0.00 61.69 58.88 2lfb s THR 70 Cb -0.33 -2.71 -0.02 0.00 1.34 0.00 0.00 72.50 70.78 2lfb s THR 70 CO 0.27 -0.07 1.62 -0.08 -0.54 0.00 0.00 174.62 175.82 2lfb h GLU 71 N 2.17 -0.37 -0.13 3.99 4.22 -1.95 0.27 114.58 122.77 2lfb h GLU 71 Ca -0.40 0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.10 2lfb h GLU 71 Cb 1.24 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 2lfb h GLU 71 CO 0.69 -0.25 0.22 -0.24 -2.18 0.00 0.00 179.01 177.25 2lfb h VAL 72 N -0.39 0.28 0.17 0.32 3.04 -1.98 0.13 116.25 117.82 2lfb h VAL 72 Ca 0.09 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.77 2lfb h VAL 72 Cb 0.53 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 30.62 2lfb h VAL 72 CO -0.32 0.00 -0.08 -0.09 -1.01 0.00 0.00 177.57 176.06 2lfb h ARG 73 N 0.00 -0.22 -0.47 4.17 9.65 -1.34 0.91 114.38 127.08 2lfb h ARG 73 Ca 0.06 0.02 0.07 0.00 -1.10 0.00 0.00 59.98 59.02 2lfb h ARG 73 Cb 0.50 0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 29.08 2lfb h ARG 73 CO -0.00 0.20 0.15 0.28 2.80 0.00 0.00 179.97 183.39 2lfb h VAL 74 N -0.81 0.82 -0.03 0.20 2.07 -0.55 -0.60 116.25 117.35 2lfb h VAL 74 Ca -0.02 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.42 2lfb h VAL 74 Cb 0.52 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 2lfb h VAL 74 CO 0.04 0.06 -0.23 0.22 0.02 0.00 0.00 177.57 177.67 2lfb h TYR 75 N 0.31 -0.61 -0.04 1.57 5.03 -0.84 -0.28 116.97 122.10 2lfb h TYR 75 Ca 0.22 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.59 2lfb h TYR 75 Cb 0.25 0.28 -0.05 0.00 1.55 0.00 0.00 36.73 38.75 2lfb h TYR 75 CO -0.17 -0.32 -0.28 -0.91 -1.32 0.00 0.00 178.16 175.16 2lfb h ASN 76 N -0.34 -0.84 -0.12 -2.11 2.35 0.24 0.10 115.58 114.87 2lfb h ASN 76 Ca 0.07 0.12 -0.06 0.00 -0.55 0.00 0.00 56.30 55.88 2lfb h ASN 76 Cb 0.44 0.35 -0.00 0.00 0.05 0.00 0.00 38.32 39.16 2lfb h ASN 76 CO -0.23 -0.34 -0.16 4.11 -1.65 0.00 0.00 177.43 179.16 2lfb h TRP 77 N -0.40 0.39 -0.48 1.19 5.08 -1.07 -1.68 115.95 118.98 2lfb h TRP 77 Ca 0.07 -0.13 0.04 0.00 1.08 0.00 0.00 58.89 59.96 2lfb h TRP 77 Cb 0.51 -0.08 -0.03 0.00 -3.00 0.00 0.00 29.16 26.56 2lfb h TRP 77 CO -0.33 0.76 0.32 0.74 -1.28 0.00 0.00 178.44 178.65 2lfb h PHE 78 N -0.10 0.48 0.15 0.12 0.04 -0.79 0.58 116.94 117.42 2lfb h PHE 78 Ca 0.01 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 2lfb h PHE 78 Cb 0.71 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.71 2lfb h PHE 78 CO 0.10 0.27 -0.07 0.00 -0.60 0.00 0.00 178.31 178.00 2lfb h ALA 79 N 1.73 -0.20 0.09 2.45 0.00 -0.71 -3.32 119.26 119.30 2lfb h ALA 79 Ca 0.20 -0.10 -0.32 0.00 0.00 0.00 0.00 54.91 54.69 2lfb h ALA 79 Cb 0.18 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2lfb h ALA 79 CO -0.05 -0.55 -1.73 -0.97 0.00 0.00 0.00 179.25 175.95 2lfb h ASN 80 N -0.34 0.31 -1.00 0.00 -1.24 -0.14 -3.34 115.58 109.84 2lfb h ASN 80 Ca -0.02 -0.82 0.37 0.00 0.71 0.00 0.00 56.30 56.54 2lfb h ASN 80 Cb 0.27 -0.10 -0.18 0.00 0.73 0.00 0.00 38.32 39.03 2lfb h ASN 80 CO 0.03 1.74 0.36 -0.09 -1.29 0.00 0.00 177.43 178.18 2lfb h ARG 81 N -0.26 0.00 -0.84 6.67 9.65 -0.11 0.24 114.38 129.73 2lfb h ARG 81 Ca -0.39 -0.00 0.21 0.00 -1.10 0.00 0.00 59.98 58.70 2lfb h ARG 81 Cb 1.81 -0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 30.25 2lfb h ARG 81 CO 0.00 0.00 0.16 -0.09 2.80 0.00 0.00 179.97 182.85 2lfb h ARG 82 N 0.01 0.18 0.02 0.20 9.65 -1.68 0.55 114.38 123.31 2lfb h ARG 82 Ca 0.76 -0.01 -0.17 0.00 -1.10 0.00 0.00 59.98 59.46 2lfb h ARG 82 Cb 1.89 -0.04 0.01 0.00 -1.39 0.00 0.00 29.97 30.44 2lfb h ARG 82 CO -0.83 0.12 -0.67 0.87 2.80 0.00 0.00 179.97 182.26 2lfb h LYS 83 N 0.18 0.42 -0.86 0.20 6.56 -0.76 -1.43 116.57 120.88 2lfb h LYS 83 Ca 0.50 -0.48 0.23 0.00 -1.06 0.00 0.00 60.65 59.84 2lfb h LYS 83 Cb 0.96 0.14 -0.14 0.00 -0.57 0.00 0.00 32.23 32.63 2lfb h LYS 83 CO -0.65 1.14 0.21 1.49 -2.06 0.00 0.00 179.45 179.58 2lfb h GLU 84 N -0.09 0.19 0.42 3.15 4.81 -0.67 -0.75 114.58 121.65 2lfb h GLU 84 Ca -0.09 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 2lfb h GLU 84 Cb 1.39 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.74 2lfb h GLU 84 CO 0.13 0.13 -0.20 1.49 -0.73 0.00 0.00 179.01 179.83 2lfb h GLU 85 N 0.20 -0.54 -0.91 1.92 4.81 0.02 -3.29 114.58 116.79 2lfb h GLU 85 Ca 0.54 0.04 0.19 0.00 -0.13 0.00 0.00 59.36 59.99 2lfb h GLU 85 Cb 1.06 0.12 -0.07 0.00 0.63 0.00 0.00 28.75 30.49 2lfb h GLU 85 CO -0.66 -0.36 0.59 0.00 -0.73 0.00 0.00 179.01 177.85 2lfb h ALA 86 N -1.33 2.05 -0.44 2.92 0.00 -0.90 0.16 119.26 121.71 2lfb h ALA 86 Ca -0.06 0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.97 2lfb h ALA 86 Cb 0.43 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.07 2lfb h ALA 86 CO 0.09 -0.33 -0.16 0.35 0.00 0.00 0.00 179.25 179.20 2lfb h PHE 87 N 0.52 -0.38 0.00 0.00 3.04 -1.21 0.20 116.94 119.11 2lfb h PHE 87 Ca 0.48 0.04 -0.20 0.00 3.98 0.00 0.00 57.97 62.27 2lfb h PHE 87 Cb 1.02 0.24 -0.03 0.00 2.56 0.00 0.00 35.95 39.74 2lfb h PHE 87 CO -0.00 -0.25 -1.24 -0.09 -2.02 0.00 0.00 178.31 174.71 2lfb h ARG 88 N -0.06 0.00 0.00 1.11 9.65 -1.28 -3.38 114.38 120.42 2lfb h ARG 88 Ca 0.21 0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 58.91 2lfb h ARG 88 Cb 0.39 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.95 2lfb h ARG 88 CO -0.49 0.52 -0.85 1.25 2.80 0.00 0.00 179.97 183.20 2lfb h HIS 89 N 0.00 0.00 0.77 2.20 2.76 -0.33 -3.36 115.15 117.19 2lfb h HIS 89 Ca -0.14 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.00 2lfb h HIS 89 Cb 1.70 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.66 2lfb h HIS 89 CO 0.00 0.85 -0.48 1.57 -1.30 0.00 0.00 177.93 178.57 2lfb h LYS 90 N 0.00 -1.13 -7.21 5.26 2.10 -0.78 -3.28 116.57 111.52 2lfb h LYS 90 Ca -0.01 0.08 -0.53 0.00 -2.00 0.00 0.00 60.65 58.19 2lfb h LYS 90 Cb 1.62 0.26 0.16 0.00 -0.90 0.00 0.00 32.23 33.36 2lfb h LYS 90 CO 0.11 -0.76 0.35 -0.48 -2.00 0.00 0.00 179.45 176.67 2lfb s LEU 91 N -9.86 3.20 -1.67 7.07 0.05 -1.25 -1.02 118.68 115.20 2lfb s LEU 91 Ca -0.18 2.24 0.00 0.00 0.05 0.00 0.00 54.13 56.23 2lfb s LEU 91 Cb 0.03 -4.57 0.00 0.00 -2.05 0.00 0.00 46.19 39.59 2lfb s LEU 91 CO 0.58 -2.36 0.00 0.00 -0.55 0.00 0.00 176.35 174.02 2lfb n ALA 92 N -3.08 -0.24 -2.69 1.48 0.00 -1.26 -4.71 120.51 110.01 2lfb n ALA 92 Ca 0.12 0.25 -0.07 0.00 0.00 0.00 0.00 53.44 53.75 2lfb n ALA 92 Cb 0.51 -1.64 0.07 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.99 1.22 -2.70 0.00 0.00 -0.19 -4.99 117.12 108.47 2lfb n MET 93 Ca -0.16 -2.62 -0.24 0.00 0.00 0.00 0.00 57.70 54.68 2lfb n MET 93 Cb 0.53 -0.73 0.02 0.00 0.00 0.00 0.00 33.22 33.05 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 -0.39 -3.91 -3.64 6.12 2.03 -1.20 -4.87 116.55 110.69 2lfb n ASP 94 Ca 0.03 -0.06 -0.12 0.00 0.52 0.00 0.00 54.79 55.16 2lfb n ASP 94 Cb 0.83 -1.11 -0.05 0.00 -0.72 0.00 0.00 41.12 40.08 2lfb n ASP 94 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2lfb s THR 95 N -0.97 0.00 0.00 5.18 2.01 -0.99 -4.80 115.64 116.08 2lfb s THR 95 Ca 0.23 -1.51 0.00 0.00 0.31 0.00 0.00 61.69 60.72 2lfb s THR 95 Cb -0.02 -2.45 0.00 0.00 0.01 0.00 0.00 72.50 70.03 2lfb s THR 95 CO 0.53 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.46 2lfb n TYR 96 N -0.46 0.00 -3.67 4.92 9.36 -1.26 -3.89 117.16 122.16 2lfb n TYR 96 Ca -0.01 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.92 2lfb n TYR 96 Cb 0.62 0.00 0.03 0.00 -0.63 0.00 0.00 39.34 39.36 2lfb n TYR 96 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2lfb n LYS 97 N 0.00 -1.17 0.00 2.98 5.02 -1.26 -4.75 118.16 118.97 2lfb n LYS 97 Ca 0.00 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 2lfb n LYS 97 Cb 0.00 -3.92 0.00 0.00 -0.02 0.00 0.00 35.03 31.09 2lfb n LYS 97 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2lfb n LEU 98 N -3.87 0.00 0.00 -0.35 -0.00 -1.26 -5.12 117.00 106.41 2lfb n LEU 98 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.90 2lfb n LEU 98 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 2lfb n LEU 98 CO 0.66 0.00 0.00 0.59 -0.00 0.00 0.00 177.39 178.64