#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 -1.26 3.04 0.00 -0.66 -4.91 120.51 116.72 2lfb n ALA 1 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2lfb n ALA 1 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 2lfb n ALA 1 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2lfb s ARG 2 N 0.00 2.18 1.02 0.00 0.52 -1.26 -4.01 118.95 117.40 2lfb s ARG 2 Ca 0.00 1.46 0.00 0.00 -0.52 0.00 0.00 55.73 56.67 2lfb s ARG 2 Cb 0.00 -1.87 0.00 0.00 0.52 0.00 0.00 34.95 33.60 2lfb s ARG 2 CO 0.00 -1.74 0.00 1.51 0.02 0.00 0.00 175.30 175.09 2lfb n ILE 3 N -3.10 0.00 -3.67 1.52 3.06 -1.26 -4.62 119.36 111.29 2lfb n ILE 3 Ca 0.11 0.00 -0.37 0.00 -2.50 0.00 0.00 62.75 59.99 2lfb n ILE 3 Cb 0.52 0.00 -0.07 0.00 0.54 0.00 0.00 39.64 40.63 2lfb n ILE 3 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 2lfb s ASP 4 N -4.00 6.48 -0.07 9.51 -4.77 -1.26 -5.01 116.67 117.55 2lfb s ASP 4 Ca 0.00 0.57 -0.25 0.00 -3.30 0.00 0.00 52.55 49.56 2lfb s ASP 4 Cb 0.00 -2.15 -0.24 0.00 -1.09 0.00 0.00 42.92 39.44 2lfb s ASP 4 CO 0.00 0.27 0.98 1.55 0.70 0.00 0.00 175.17 178.67 2lfb h PRO 5 N 5.63 0.13 -6.11 2.11 0.13 -1.82 -1.74 132.00 130.32 2lfb h PRO 5 Ca -0.48 -0.16 -0.43 0.00 -0.87 0.00 0.00 66.00 64.06 2lfb h PRO 5 Cb 1.20 0.05 0.04 0.00 0.13 0.00 0.00 31.00 32.41 2lfb h PRO 5 CO 0.66 0.93 -0.78 0.25 -0.23 0.00 0.00 178.00 178.84 2lfb n THR 6 N -4.52 -3.41 0.05 1.56 -2.24 -1.26 -4.13 114.28 100.33 2lfb n THR 6 Ca -0.10 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 2lfb n THR 6 Cb 0.51 -3.52 0.00 0.00 -2.10 0.00 0.00 70.33 65.22 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 -4.52 0.73 -1.46 -0.78 0.00 -1.26 -4.65 118.16 106.22 2lfb n LYS 7 Ca -0.12 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.79 2lfb n LYS 7 Cb 0.60 -1.14 -0.02 0.00 -0.00 0.00 0.00 35.03 34.48 2lfb n LYS 7 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2lfb n LYS 8 N 1.25 3.45 0.00 -1.58 0.00 -1.26 -4.41 118.16 115.61 2lfb n LYS 8 Ca 0.00 -2.35 0.00 0.00 -0.00 0.00 0.00 58.31 55.96 2lfb n LYS 8 Cb 0.36 -2.95 0.00 0.00 -0.00 0.00 0.00 35.03 32.44 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 3.71 2.92 3.45 2.58 0.00 -1.26 -5.19 105.19 111.40 2lfb n GLY 9 Ca 0.70 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 46.21 2lfb n GLY 9 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2lfb s ARG 10 N -1.30 1.31 0.87 1.61 3.03 -1.26 -5.12 118.95 118.09 2lfb s ARG 10 Ca 0.00 -1.09 -0.12 0.00 2.03 0.00 0.00 55.73 56.55 2lfb s ARG 10 Cb 0.00 0.44 0.09 0.00 -1.03 0.00 0.00 34.95 34.46 2lfb s ARG 10 CO 0.00 -0.52 0.99 -2.13 -1.13 0.00 0.00 175.30 172.51 2lfb n ARG 11 N -0.29 -0.15 -1.00 3.89 3.00 -1.26 -2.93 116.66 117.92 2lfb n ARG 11 Ca -0.07 0.02 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 2lfb n ARG 11 Cb 0.63 -2.27 0.00 0.00 0.00 0.00 0.00 32.46 30.82 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 -3.10 -3.90 -0.12 6.15 4.05 -1.26 -4.89 115.26 112.20 2lfb n ASN 12 Ca 0.11 0.00 -0.10 0.00 0.45 0.00 0.00 54.58 55.05 2lfb n ASN 12 Cb 0.52 -1.48 -0.02 0.00 1.23 0.00 0.00 39.78 40.02 2lfb n ASN 12 CO 0.00 0.00 0.00 0.08 -3.05 0.00 0.00 177.26 174.29 2lfb h ARG 13 N 0.70 0.55 -6.75 1.20 0.11 -1.97 -3.38 114.38 104.84 2lfb h ARG 13 Ca 0.00 -0.13 -0.51 0.00 0.10 0.00 0.00 59.98 59.44 2lfb h ARG 13 Cb 0.32 -0.07 0.02 0.00 1.11 0.00 0.00 29.97 31.35 2lfb h ARG 13 CO 0.00 0.59 0.51 0.12 0.10 0.00 0.00 179.97 181.29 2lfb s PHE 14 N -5.33 3.51 0.45 4.08 5.36 -1.26 -5.06 117.98 119.74 2lfb s PHE 14 Ca -0.13 1.60 0.03 0.00 -0.96 0.00 0.00 56.93 57.46 2lfb s PHE 14 Cb 0.09 -3.34 -0.02 0.00 -0.34 0.00 0.00 43.02 39.41 2lfb s PHE 14 CO 0.75 -0.80 0.08 -1.59 -1.46 0.00 0.00 175.22 172.20 2lfb s LYS 15 N -0.96 2.05 0.00 10.12 -2.85 -1.26 -5.12 119.74 121.72 2lfb s LYS 15 Ca 0.48 -2.28 0.00 0.00 -1.00 0.00 0.00 55.97 53.17 2lfb s LYS 15 Cb -0.32 -1.00 0.00 0.00 -2.06 0.00 0.00 37.83 34.45 2lfb s LYS 15 CO 0.39 -0.43 0.00 0.91 0.10 0.00 0.00 175.35 176.32 2lfb n TRP 16 N -1.06 0.00 0.00 1.78 7.02 -1.26 -5.06 117.44 118.86 2lfb n TRP 16 Ca -0.12 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.36 2lfb n TRP 16 Cb 0.66 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.55 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 4.63 0.13 3.75 6.99 0.00 -1.26 -5.05 105.19 114.38 2lfb n GLY 17 Ca 0.00 -1.21 -0.29 0.00 0.00 0.00 0.00 46.02 44.52 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 1.28 0.00 1.61 0.04 -1.26 -3.68 135.00 130.99 2lfb s PRO 18 Ca 0.00 0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.64 2lfb s PRO 18 Cb 0.00 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.71 2lfb s PRO 18 CO 0.00 -2.17 0.00 0.00 0.04 0.00 0.00 177.00 174.87 2lfb n ALA 19 N -3.80 0.00 -0.28 8.56 0.00 -1.26 -4.30 120.51 119.43 2lfb n ALA 19 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.65 2lfb n ALA 19 Cb 0.57 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.29 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 2.35 -0.04 -0.08 0.00 2.88 -1.26 -0.60 113.62 116.87 2lfb n SER 20 Ca 0.00 1.38 0.18 0.00 -1.33 0.00 0.00 58.87 59.09 2lfb n SER 20 Cb 0.00 -0.53 0.60 0.00 -0.75 0.00 0.00 64.21 63.53 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 0.20 -0.19 -1.46 1.08 -1.75 -2.79 115.11 110.20 2lfb h GLN 21 Ca 0.52 -0.01 -0.19 0.00 -1.45 0.00 0.00 58.65 57.52 2lfb h GLN 21 Cb 1.13 -0.05 0.01 0.00 -0.05 0.00 0.00 27.48 28.52 2lfb h GLN 21 CO -0.75 0.13 -0.61 -0.56 -0.95 0.00 0.00 178.83 176.10 2lfb h GLN 22 N 0.21 0.75 -0.46 1.46 3.07 -1.23 0.24 115.11 119.15 2lfb h GLN 22 Ca 0.31 -0.55 0.06 0.00 0.09 0.00 0.00 58.65 58.56 2lfb h GLN 22 Cb 0.92 0.10 -0.05 0.00 0.08 0.00 0.00 27.48 28.53 2lfb h GLN 22 CO -0.06 1.17 0.16 0.82 0.09 0.00 0.00 178.83 181.01 2lfb h ILE 23 N 0.47 0.85 -0.14 1.86 5.03 -1.62 0.17 117.51 124.13 2lfb h ILE 23 Ca -0.02 -0.11 -0.01 0.00 -0.12 0.00 0.00 64.86 64.59 2lfb h ILE 23 Cb 1.23 0.49 -0.01 0.00 -3.03 0.00 0.00 36.82 35.51 2lfb h ILE 23 CO 0.13 0.06 0.05 -0.07 -0.68 0.00 0.00 178.15 177.64 2lfb h LEU 24 N 0.33 0.19 -0.12 1.44 3.38 -1.19 -1.23 115.31 118.11 2lfb h LEU 24 Ca 0.22 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2lfb h LEU 24 Cb 0.22 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2lfb h LEU 24 CO -0.22 0.33 0.07 2.19 0.09 0.00 0.00 178.44 180.89 2lfb h PHE 25 N 0.05 0.17 -0.52 1.13 -5.15 -0.33 -1.37 116.94 110.92 2lfb h PHE 25 Ca 0.04 -0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.79 2lfb h PHE 25 Cb 0.20 -0.05 -0.02 0.00 0.22 0.00 0.00 35.95 36.29 2lfb h PHE 25 CO -0.01 0.19 0.25 -0.56 -2.00 0.00 0.00 178.31 176.18 2lfb h GLN 26 N 0.10 0.75 0.32 6.09 3.07 -0.38 0.22 115.11 125.28 2lfb h GLN 26 Ca 0.04 -0.11 -0.02 0.00 0.09 0.00 0.00 58.65 58.65 2lfb h GLN 26 Cb 0.08 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 27.51 2lfb h GLN 26 CO -0.01 0.62 -0.15 0.00 0.09 0.00 0.00 178.83 179.38 2lfb h ALA 27 N 1.09 -0.43 -0.86 0.06 0.00 -1.27 -1.90 119.26 115.95 2lfb h ALA 27 Ca 0.18 -0.14 0.20 0.00 0.00 0.00 0.00 54.91 55.15 2lfb h ALA 27 Cb 0.12 0.17 -0.12 0.00 0.00 0.00 0.00 17.79 17.96 2lfb h ALA 27 CO -0.02 -0.66 0.35 -0.92 0.00 0.00 0.00 179.25 177.99 2lfb h TYR 28 N -0.59 0.57 -0.44 0.00 5.03 -0.53 0.14 116.97 121.16 2lfb h TYR 28 Ca -0.04 0.04 -0.15 0.00 2.58 0.00 0.00 58.73 61.16 2lfb h TYR 28 Cb 0.43 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.58 2lfb h TYR 28 CO -0.01 -0.04 -0.30 1.49 -1.32 0.00 0.00 178.16 177.97 2lfb h GLU 29 N 0.39 0.97 -0.14 1.82 4.57 -0.45 -3.16 114.58 118.57 2lfb h GLU 29 Ca 0.52 -0.46 -0.19 0.00 -1.18 0.00 0.00 59.36 58.05 2lfb h GLU 29 Cb 0.95 -0.01 0.01 0.00 -0.16 0.00 0.00 28.75 29.54 2lfb h GLU 29 CO -0.52 1.13 -0.65 -0.09 -1.18 0.00 0.00 179.01 177.71 2lfb h ARG 30 N 0.82 0.69 -3.26 1.92 2.43 0.04 -3.42 114.38 113.58 2lfb h ARG 30 Ca 0.09 -0.55 -0.16 0.00 -0.81 0.00 0.00 59.98 58.54 2lfb h ARG 30 Cb 0.89 0.11 -0.24 0.00 -0.42 0.00 0.00 29.97 30.31 2lfb h ARG 30 CO 0.08 1.17 -0.46 1.14 -1.51 0.00 0.00 179.97 180.39 2lfb s GLN 31 N -3.74 0.33 -0.19 0.20 -2.07 -0.19 -5.07 119.66 108.93 2lfb s GLN 31 Ca -0.11 0.11 0.14 0.00 -1.82 0.00 0.00 55.36 53.68 2lfb s GLN 31 Cb 0.07 0.15 0.40 0.00 -1.09 0.00 0.00 33.01 32.54 2lfb s GLN 31 CO 0.87 -0.06 1.25 0.36 -1.32 0.00 0.00 175.29 176.39 2lfb n LYS 32 N 2.50 1.65 -3.93 9.60 2.85 -1.19 -3.79 118.16 125.84 2lfb n LYS 32 Ca -0.16 -2.98 -0.26 0.00 -1.05 0.00 0.00 58.31 53.87 2lfb n LYS 32 Cb 0.58 -1.63 -0.17 0.00 -0.65 0.00 0.00 35.03 33.16 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 -2.87 1.98 -0.61 -5.58 0.01 -1.26 -5.03 114.94 101.59 2lfb s ASN 33 Ca 0.37 -0.25 -0.26 0.00 -0.71 0.00 0.00 52.86 52.01 2lfb s ASN 33 Cb 0.34 -0.74 -0.02 0.00 0.41 0.00 0.00 41.25 41.23 2lfb s ASN 33 CO -0.01 -0.12 1.90 -2.16 -1.51 0.00 0.00 177.10 175.20 2lfb s PRO 34 N 1.66 2.58 0.00 -0.60 0.04 -1.26 -4.91 135.00 132.52 2lfb s PRO 34 Ca 0.03 0.66 0.00 0.00 0.04 0.00 0.00 61.00 61.73 2lfb s PRO 34 Cb -0.13 -4.41 0.00 0.00 0.04 0.00 0.00 34.50 30.00 2lfb s PRO 34 CO -0.06 -2.78 0.00 0.43 0.04 0.00 0.00 177.00 174.62 2lfb n SER 35 N 13.00 0.00 0.00 6.66 7.64 -1.26 -5.03 113.62 134.64 2lfb n SER 35 Ca 0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2lfb n SER 35 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2lfb n SER 35 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2lfb n LYS 36 N 0.00 0.00 -0.15 1.43 3.00 -1.26 -4.83 118.16 116.35 2lfb n LYS 36 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.27 2lfb n LYS 36 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 34.99 2lfb n LYS 36 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2lfb n GLU 37 N -2.23 -0.16 -0.15 1.64 0.00 -1.26 0.10 120.64 118.58 2lfb n GLU 37 Ca 0.00 0.88 -0.04 0.00 0.00 0.00 0.00 57.16 58.00 2lfb n GLU 37 Cb 0.00 -1.31 -0.04 0.00 0.00 0.00 0.00 31.44 30.10 2lfb n GLU 37 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2lfb n GLU 38 N -3.84 -0.16 -0.10 5.31 2.13 -1.26 -0.79 120.64 121.93 2lfb n GLU 38 Ca 0.01 0.71 -0.11 0.00 0.66 0.00 0.00 57.16 58.43 2lfb n GLU 38 Cb 0.09 -1.05 -0.03 0.00 0.27 0.00 0.00 31.44 30.72 2lfb n GLU 38 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2lfb h ARG 39 N 0.00 0.54 -0.05 5.31 2.43 -0.66 0.22 114.38 122.17 2lfb h ARG 39 Ca 0.06 -0.17 0.04 0.00 -0.81 0.00 0.00 59.98 59.10 2lfb h ARG 39 Cb 0.15 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 2lfb h ARG 39 CO -0.34 0.67 -0.25 0.93 -1.51 0.00 0.00 179.97 179.47 2lfb h GLU 40 N 0.34 -0.35 -0.32 0.20 3.07 -0.16 -1.10 114.58 116.26 2lfb h GLU 40 Ca 0.09 0.02 0.06 0.00 -0.50 0.00 0.00 59.36 59.03 2lfb h GLU 40 Cb 0.43 0.08 -0.08 0.00 -0.84 0.00 0.00 28.75 28.33 2lfb h GLU 40 CO 0.01 -0.23 -0.40 1.15 -1.40 0.00 0.00 179.01 178.14 2lfb h THR 41 N -0.36 0.15 -0.66 1.13 2.02 -0.69 -2.25 112.91 112.25 2lfb h THR 41 Ca 0.08 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.34 2lfb h THR 41 Cb 0.47 0.15 -0.07 0.00 -1.74 0.00 0.00 68.15 66.96 2lfb h THR 41 CO -0.25 0.00 0.32 -0.07 0.37 0.00 0.00 175.52 175.88 2lfb h LEU 42 N -0.36 0.41 0.27 2.58 4.07 0.24 0.11 115.31 122.63 2lfb h LEU 42 Ca 0.13 0.06 -0.00 0.00 0.08 0.00 0.00 57.88 58.14 2lfb h LEU 42 Cb 0.58 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 2lfb h LEU 42 CO -0.51 0.24 -0.22 0.58 -1.08 0.00 0.00 178.44 177.45 2lfb h VAL 43 N 0.55 0.53 -0.05 1.22 2.07 -0.80 0.13 116.25 119.91 2lfb h VAL 43 Ca 0.32 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.87 2lfb h VAL 43 Cb 0.33 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.57 2lfb h VAL 43 CO -0.26 0.00 -0.45 -0.33 0.02 0.00 0.00 177.57 176.56 2lfb h GLU 44 N -0.50 -0.55 -0.21 1.57 4.39 -0.58 0.26 114.58 118.96 2lfb h GLU 44 Ca -0.01 0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 2lfb h GLU 44 Cb 0.45 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 2lfb h GLU 44 CO -0.02 -0.37 0.07 1.49 -1.16 0.00 0.00 179.01 179.03 2lfb h GLU 45 N -0.57 0.33 -0.41 2.33 4.81 -0.80 -0.80 114.58 119.46 2lfb h GLU 45 Ca 0.05 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2lfb h GLU 45 Cb 0.66 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 2lfb h GLU 45 CO -0.35 0.41 0.22 0.00 -0.73 0.00 0.00 179.01 178.55 2lfb h ASN 47 N 0.44 -0.40 -0.55 0.00 2.35 0.04 0.22 115.58 117.68 2lfb h ASN 47 Ca 0.17 0.09 0.09 0.00 -0.55 0.00 0.00 56.30 56.10 2lfb h ASN 47 Cb 0.06 0.21 -0.10 0.00 0.05 0.00 0.00 38.32 38.53 2lfb h ASN 47 CO -0.11 -0.16 -0.41 -0.09 -1.65 0.00 0.00 177.43 175.01 2lfb h ARG 48 N -0.12 -0.22 0.02 0.81 9.65 -0.73 0.42 114.38 124.21 2lfb h ARG 48 Ca 0.11 0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 59.00 2lfb h ARG 48 Cb 0.28 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 2lfb h ARG 48 CO -0.26 -0.15 -0.01 0.00 2.80 0.00 0.00 179.97 182.35 2lfb h ALA 49 N 0.67 -0.03 0.00 2.80 0.00 0.11 -1.57 119.26 121.24 2lfb h ALA 49 Ca 0.18 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 2lfb h ALA 49 Cb 0.56 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2lfb h ALA 49 CO -0.67 -0.51 -0.51 1.05 0.00 0.00 0.00 179.25 178.62 2lfb h GLU 50 N -0.05 0.00 -0.59 0.00 4.11 -0.44 -0.17 114.58 117.45 2lfb h GLU 50 Ca -0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.51 2lfb h GLU 50 Cb 0.04 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.22 2lfb h GLU 50 CO 0.01 0.51 0.23 0.00 0.07 0.00 0.00 179.01 179.82 2lfb h ILE 52 N 0.42 1.20 -0.60 0.00 2.04 -0.22 0.45 117.51 120.81 2lfb h ILE 52 Ca 0.29 -0.65 0.10 0.00 1.00 0.00 0.00 64.86 65.60 2lfb h ILE 52 Cb 0.34 1.14 -0.08 0.00 -0.74 0.00 0.00 36.82 37.49 2lfb h ILE 52 CO -0.29 0.21 0.19 1.56 0.00 0.00 0.00 178.15 179.82 2lfb h GLN 53 N 0.25 0.33 -0.01 2.37 4.20 -0.48 -1.46 115.11 120.32 2lfb h GLN 53 Ca 0.08 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2lfb h GLN 53 Cb 0.25 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2lfb h GLN 53 CO -0.00 0.22 -0.12 0.54 -0.67 0.00 0.00 178.83 178.80 2lfb n ARG 54 N -5.05 1.25 -3.74 1.46 5.12 0.05 -4.95 116.66 110.80 2lfb n ARG 54 Ca 0.09 -0.72 -0.27 0.00 -1.93 0.00 0.00 57.85 55.01 2lfb n ARG 54 Cb 0.29 -1.49 0.04 0.00 -1.16 0.00 0.00 32.46 30.15 2lfb n ARG 54 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2lfb n GLY 55 N 1.25 -0.52 3.83 -0.13 0.00 0.13 -5.00 105.19 104.76 2lfb n GLY 55 Ca 0.16 0.21 -0.32 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.29 4.21 0.18 1.61 1.01 0.19 -5.00 120.40 119.30 2lfb s VAL 56 Ca 0.62 0.87 -0.33 0.00 0.00 0.00 0.00 61.98 63.13 2lfb s VAL 56 Cb -0.29 -3.55 -0.15 0.00 0.00 0.00 0.00 36.38 32.38 2lfb s VAL 56 CO 0.76 -0.79 1.33 -1.20 0.00 0.00 0.00 175.10 175.20 2lfb n SER 57 N -2.45 2.10 0.03 3.32 7.64 -1.26 -4.64 113.62 118.35 2lfb n SER 57 Ca 0.07 1.13 -0.11 0.00 1.01 0.00 0.00 58.87 60.98 2lfb n SER 57 Cb 0.54 -1.31 -0.05 0.00 -1.01 0.00 0.00 64.21 62.38 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 4.19 -0.11 0.00 1.43 0.13 -1.95 -0.58 132.00 135.11 2lfb h PRO 58 Ca -0.45 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2lfb h PRO 58 Cb 1.31 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2lfb h PRO 58 CO 0.76 -0.08 0.00 -1.13 -0.23 0.00 0.00 178.00 177.32 2lfb n SER 59 N -5.21 0.00 -1.86 1.44 3.41 -1.26 -2.70 113.62 107.44 2lfb n SER 59 Ca -0.05 -1.47 0.02 0.00 -0.26 0.00 0.00 58.87 57.11 2lfb n SER 59 Cb 0.14 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.11 2lfb n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2lfb n GLN 60 N -0.52 0.52 0.09 4.33 6.02 -0.31 -4.90 117.38 122.61 2lfb n GLN 60 Ca 0.01 -2.30 0.20 0.00 -0.01 0.00 0.00 57.00 54.90 2lfb n GLN 60 Cb 0.00 -0.38 0.75 0.00 1.02 0.00 0.00 30.24 31.64 2lfb n GLN 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2lfb h ALA 61 N 1.35 2.13 -0.90 -1.58 0.00 -1.11 0.80 119.26 119.96 2lfb h ALA 61 Ca -0.24 -0.01 0.35 0.00 0.00 0.00 0.00 54.91 55.00 2lfb h ALA 61 Cb 1.67 0.03 -0.16 0.00 0.00 0.00 0.00 17.79 19.33 2lfb h ALA 61 CO 0.08 -0.60 0.37 1.04 0.00 0.00 0.00 179.25 180.14 2lfb n GLN 62 N -3.82 -0.06 -0.25 0.00 3.00 -1.26 -2.23 117.38 112.75 2lfb n GLN 62 Ca 0.07 1.26 0.00 0.00 -0.01 0.00 0.00 57.00 58.32 2lfb n GLN 62 Cb 0.57 -2.20 0.00 0.00 0.00 0.00 0.00 30.24 28.61 2lfb n GLN 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2lfb n GLY 63 N -1.28 1.86 1.32 1.08 0.00 0.27 -2.32 105.19 106.12 2lfb n GLY 63 Ca 0.31 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.35 2lfb n GLY 63 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2lfb n LEU 64 N 1.28 2.09 -0.12 0.99 -0.00 -0.95 -4.98 117.00 115.31 2lfb n LEU 64 Ca 0.00 -3.11 0.06 0.00 -0.00 0.00 0.00 56.01 52.97 2lfb n LEU 64 Cb 0.38 -0.19 0.12 0.00 -0.00 0.00 0.00 43.42 43.73 2lfb n LEU 64 CO 0.00 1.06 0.30 0.61 -0.00 0.00 0.00 177.39 179.36 2lfb n GLY 65 N -0.36 -0.45 0.38 1.47 0.00 -0.98 -0.10 105.19 105.16 2lfb n GLY 65 Ca 0.15 0.34 -0.03 0.00 0.00 0.00 0.00 46.02 46.48 2lfb n GLY 65 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2lfb h SER 66 N 0.00 -1.47 0.05 1.61 0.02 -1.93 -3.14 113.55 108.68 2lfb h SER 66 Ca 0.23 0.30 -0.35 0.00 -0.84 0.00 0.00 61.79 61.13 2lfb h SER 66 Cb 0.51 0.75 -0.04 0.00 0.14 0.00 0.00 62.40 63.75 2lfb h SER 66 CO -0.32 -0.29 -1.97 0.59 -1.14 0.00 0.00 176.83 173.70 2lfb n ASN 67 N -5.44 2.00 -3.14 3.07 4.13 0.86 -4.88 115.26 111.86 2lfb n ASN 67 Ca 0.08 0.23 -0.44 0.00 1.68 0.00 0.00 54.58 56.13 2lfb n ASN 67 Cb 0.38 -0.80 -0.06 0.00 -1.54 0.00 0.00 39.78 37.75 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 -3.83 0.55 -4.76 3.41 7.94 0.18 -4.89 117.00 115.60 2lfb n LEU 68 Ca -0.38 0.79 -0.41 0.00 -1.11 0.00 0.00 56.01 54.90 2lfb n LEU 68 Cb 0.91 -0.60 -0.02 0.00 0.53 0.00 0.00 43.42 44.24 2lfb n LEU 68 CO 0.27 -0.79 1.00 -0.69 -1.11 0.00 0.00 177.39 176.06 2lfb s VAL 69 N 1.38 2.75 0.09 1.96 1.01 -1.26 -4.96 120.40 121.36 2lfb s VAL 69 Ca 0.68 0.72 -0.01 0.00 0.00 0.00 0.00 61.98 63.36 2lfb s VAL 69 Cb -0.96 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 2lfb s VAL 69 CO 0.50 0.16 0.02 0.42 0.00 0.00 0.00 175.10 176.19 2lfb s THR 70 N -0.85 0.16 0.28 3.92 -4.23 -1.26 -4.90 115.64 108.76 2lfb s THR 70 Ca 0.51 -1.85 -0.00 0.00 -1.18 0.00 0.00 61.69 59.17 2lfb s THR 70 Cb -0.40 -1.78 0.28 0.00 1.34 0.00 0.00 72.50 71.94 2lfb s THR 70 CO 0.50 -0.72 1.87 1.05 -0.54 0.00 0.00 174.62 176.78 2lfb h GLU 71 N 3.00 1.04 -0.68 3.99 -0.00 -1.97 0.08 114.58 120.04 2lfb h GLU 71 Ca -0.35 -0.06 0.14 0.00 -0.00 0.00 0.00 59.36 59.09 2lfb h GLU 71 Cb 1.17 -0.23 -0.04 0.00 -0.00 0.00 0.00 28.75 29.64 2lfb h GLU 71 CO 0.62 0.69 0.46 -0.24 -0.00 0.00 0.00 179.01 180.54 2lfb h VAL 72 N 1.07 0.80 0.28 -1.06 3.04 -1.98 0.98 116.25 119.39 2lfb h VAL 72 Ca 0.44 -0.11 -0.01 0.00 -1.01 0.00 0.00 66.70 66.01 2lfb h VAL 72 Cb 0.30 0.44 0.00 0.00 -2.01 0.00 0.00 31.29 30.02 2lfb h VAL 72 CO -0.20 0.06 -0.14 0.03 -1.01 0.00 0.00 177.57 176.32 2lfb h ARG 73 N 0.33 -0.37 -0.26 4.17 2.47 -1.38 -0.18 114.38 119.16 2lfb h ARG 73 Ca 0.33 0.03 0.04 0.00 -1.26 0.00 0.00 59.98 59.12 2lfb h ARG 73 Cb 0.84 0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 29.20 2lfb h ARG 73 CO -0.09 -0.14 -0.00 0.28 0.56 0.00 0.00 179.97 180.59 2lfb h VAL 74 N -0.55 0.81 -0.49 2.04 2.07 -1.06 0.21 116.25 119.29 2lfb h VAL 74 Ca -0.04 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.52 2lfb h VAL 74 Cb 0.40 0.73 -0.09 0.00 -1.52 0.00 0.00 31.29 30.81 2lfb h VAL 74 CO 0.06 0.01 -0.52 0.22 0.02 0.00 0.00 177.57 177.37 2lfb h TYR 75 N 0.08 -1.56 -0.28 1.57 5.03 -0.82 -0.99 116.97 119.99 2lfb h TYR 75 Ca 0.12 0.08 -0.10 0.00 2.58 0.00 0.00 58.73 61.42 2lfb h TYR 75 Cb 0.16 0.75 -0.01 0.00 1.55 0.00 0.00 36.73 39.17 2lfb h TYR 75 CO -0.20 -0.46 -0.22 -2.95 -1.32 0.00 0.00 178.16 173.00 2lfb h ASN 76 N -0.33 0.54 0.25 -2.11 7.08 0.08 -0.71 115.58 120.38 2lfb h ASN 76 Ca 0.11 -0.18 -0.01 0.00 -3.08 0.00 0.00 56.30 53.14 2lfb h ASN 76 Cb 0.58 -0.15 0.00 0.00 -2.08 0.00 0.00 38.32 36.67 2lfb h ASN 76 CO -0.64 0.76 -0.12 4.11 -2.08 0.00 0.00 177.43 179.47 2lfb h TRP 77 N 0.48 -0.31 0.44 4.14 5.08 -0.15 0.07 115.95 125.69 2lfb h TRP 77 Ca 0.07 -0.01 -0.02 0.00 1.08 0.00 0.00 58.89 60.01 2lfb h TRP 77 Cb 0.65 0.10 0.00 0.00 -3.00 0.00 0.00 29.16 26.92 2lfb h TRP 77 CO 0.02 -0.01 -0.21 0.74 -1.28 0.00 0.00 178.44 177.70 2lfb h PHE 78 N -0.60 -0.54 -0.65 0.12 0.04 -1.10 0.16 116.94 114.36 2lfb h PHE 78 Ca -0.03 -0.01 0.13 0.00 2.80 0.00 0.00 57.97 60.86 2lfb h PHE 78 Cb 0.44 0.18 -0.12 0.00 2.20 0.00 0.00 35.95 38.65 2lfb h PHE 78 CO 0.01 -0.32 -0.11 0.00 -0.60 0.00 0.00 178.31 177.29 2lfb h ALA 79 N -0.06 0.50 -0.43 2.45 0.00 -1.18 0.92 119.26 121.45 2lfb h ALA 79 Ca -0.06 0.24 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2lfb h ALA 79 Cb 0.47 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2lfb h ALA 79 CO 0.10 -0.42 -0.08 -0.97 0.00 0.00 0.00 179.25 177.88 2lfb h ASN 80 N 0.03 0.73 -0.86 0.00 -1.24 -0.32 -0.40 115.58 113.51 2lfb h ASN 80 Ca 0.33 -0.20 -0.01 0.00 0.71 0.00 0.00 56.30 57.13 2lfb h ASN 80 Cb 0.51 -0.19 -0.04 0.00 0.73 0.00 0.00 38.32 39.33 2lfb h ASN 80 CO -0.64 0.84 0.52 0.03 -1.29 0.00 0.00 177.43 176.89 2lfb h ARG 81 N 0.68 1.17 -0.41 6.67 2.47 0.80 0.35 114.38 126.12 2lfb h ARG 81 Ca 0.12 -0.11 0.08 0.00 -1.26 0.00 0.00 59.98 58.82 2lfb h ARG 81 Cb 0.53 -0.24 -0.07 0.00 -1.65 0.00 0.00 29.97 28.53 2lfb h ARG 81 CO 0.03 0.82 -0.07 0.00 0.56 0.00 0.00 179.97 181.31 2lfb h ARG 82 N 1.18 0.03 0.06 0.04 2.47 0.17 0.13 114.38 118.47 2lfb h ARG 82 Ca 0.31 -0.00 0.02 0.00 -1.26 0.00 0.00 59.98 59.05 2lfb h ARG 82 Cb -0.04 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.23 2lfb h ARG 82 CO -0.06 0.02 -0.27 -0.22 0.56 0.00 0.00 179.97 180.00 2lfb h LYS 83 N 0.03 -0.44 -0.77 0.04 1.63 0.04 0.52 116.57 117.62 2lfb h LYS 83 Ca 0.20 0.03 0.20 0.00 -0.85 0.00 0.00 60.65 60.23 2lfb h LYS 83 Cb 0.30 0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.99 2lfb h LYS 83 CO -0.39 -0.29 0.54 1.49 -3.45 0.00 0.00 179.45 177.34 2lfb h GLU 84 N -0.45 0.15 -0.54 1.90 4.81 -0.64 -0.03 114.58 119.77 2lfb h GLU 84 Ca 0.04 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2lfb h GLU 84 Cb 0.51 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.85 2lfb h GLU 84 CO -0.19 0.10 0.00 -1.91 -0.73 0.00 0.00 179.01 176.28 2lfb n GLU 85 N -4.39 3.20 -0.02 1.92 2.13 0.44 -3.93 120.64 119.99 2lfb n GLU 85 Ca 0.16 -2.61 -0.04 0.00 0.66 0.00 0.00 57.16 55.33 2lfb n GLU 85 Cb 0.73 -1.65 -0.01 0.00 0.27 0.00 0.00 31.44 30.78 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 0.89 2.56 -0.08 4.31 0.00 0.16 -4.20 120.51 124.14 2lfb n ALA 86 Ca 0.21 -0.16 -0.10 0.00 0.00 0.00 0.00 53.44 53.40 2lfb n ALA 86 Cb 0.71 0.44 -0.07 0.00 0.00 0.00 0.00 19.45 20.53 2lfb n ALA 86 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2lfb h PHE 87 N -0.11 -1.19 -0.90 0.00 -1.00 -1.25 -1.61 116.94 110.88 2lfb h PHE 87 Ca -0.10 0.06 0.05 0.00 2.81 0.00 0.00 57.97 60.79 2lfb h PHE 87 Cb 1.10 0.55 -0.06 0.00 3.61 0.00 0.00 35.95 41.15 2lfb h PHE 87 CO -0.01 -0.35 0.57 -0.09 -1.61 0.00 0.00 178.31 176.82 2lfb h ARG 88 N -0.30 1.03 0.00 1.51 2.43 -1.81 -2.61 114.38 114.63 2lfb h ARG 88 Ca 0.05 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 2lfb h ARG 88 Cb 0.43 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2lfb h ARG 88 CO -0.40 0.68 -0.30 1.25 -1.51 0.00 0.00 179.97 179.69 2lfb h HIS 89 N 1.06 0.00 -0.20 2.20 2.76 -1.56 0.10 115.15 119.52 2lfb h HIS 89 Ca 0.38 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.48 2lfb h HIS 89 Cb 0.12 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.04 2lfb h HIS 89 CO -0.02 0.30 0.09 0.36 -1.30 0.00 0.00 177.93 177.35 2lfb n LYS 90 N -4.12 1.63 0.21 5.26 2.85 -0.67 -4.41 118.16 118.90 2lfb n LYS 90 Ca -0.02 -0.77 0.00 0.00 -1.05 0.00 0.00 58.31 56.47 2lfb n LYS 90 Cb 0.35 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 33.25 2lfb n LYS 90 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 2lfb n LEU 91 N 0.12 -3.50 -1.34 -5.58 -0.00 -0.90 -5.02 117.00 100.77 2lfb n LEU 91 Ca 0.11 0.79 -0.06 0.00 -0.00 0.00 0.00 56.01 56.85 2lfb n LEU 91 Cb 0.65 3.32 -0.02 0.00 -0.00 0.00 0.00 43.42 47.36 2lfb n LEU 91 CO 0.12 0.14 -0.06 0.00 -0.00 0.00 0.00 177.39 177.58 2lfb n ALA 92 N -3.36 -0.19 -1.57 1.47 0.00 0.30 -4.63 120.51 112.53 2lfb n ALA 92 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2lfb n ALA 92 Cb 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.56 0.00 -0.01 0.00 2.81 -1.26 -4.93 117.12 112.17 2lfb n MET 93 Ca -0.06 -0.47 -0.03 0.00 -1.81 0.00 0.00 57.70 55.32 2lfb n MET 93 Cb 0.25 -0.34 -0.01 0.00 -0.71 0.00 0.00 33.22 32.40 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 0.00 1.04 -3.83 7.83 9.92 -1.26 -5.09 116.55 125.16 2lfb n ASP 94 Ca 0.00 0.16 -0.12 0.00 -0.53 0.00 0.00 54.79 54.30 2lfb n ASP 94 Cb 0.55 -0.45 -0.10 0.00 -0.64 0.00 0.00 41.12 40.48 2lfb n ASP 94 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2lfb s THR 95 N -1.99 0.06 0.00 -3.53 -4.23 -1.26 -5.17 115.64 99.53 2lfb s THR 95 Ca -0.10 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 2lfb s THR 95 Cb 0.01 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.39 2lfb s THR 95 CO 0.15 -0.29 0.00 0.00 -0.54 0.00 0.00 174.62 173.94 2lfb n TYR 96 N 1.63 -2.19 0.00 3.99 9.36 -1.26 -4.75 117.16 123.94 2lfb n TYR 96 Ca -0.21 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.01 2lfb n TYR 96 Cb 0.56 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.27 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 -0.73 0.00 -3.90 2.98 4.81 -1.26 -4.80 118.16 115.25 2lfb n LYS 97 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.15 2lfb n LYS 97 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 2lfb n LYS 97 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 2lfb n LEU 98 N 0.00 -0.28 0.00 3.14 -0.00 -1.26 -5.16 117.00 113.45 2lfb n LEU 98 Ca 0.00 -0.90 0.00 0.00 -0.00 0.00 0.00 56.01 55.11 2lfb n LEU 98 Cb 0.00 -1.09 0.00 0.00 -0.00 0.00 0.00 43.42 42.33 2lfb n LEU 98 CO 0.00 0.49 0.00 -0.46 -0.00 0.00 0.00 177.39 177.42