#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 -1.01 3.04 0.00 -1.26 -4.88 120.51 116.40 2lfb n ALA 1 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2lfb n ALA 1 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2lfb n ALA 1 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2lfb n ARG 2 N 0.00 -2.85 -0.00 0.00 3.00 -1.26 -5.04 116.66 110.51 2lfb n ARG 2 Ca 0.00 2.14 -0.01 0.00 -0.01 0.00 0.00 57.85 59.97 2lfb n ARG 2 Cb 0.00 -2.45 -0.00 0.00 0.00 0.00 0.00 32.46 30.01 2lfb n ARG 2 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 2lfb n ILE 3 N -1.15 0.04 -3.15 0.55 0.13 -1.26 -5.01 119.36 109.50 2lfb n ILE 3 Ca 0.00 -0.01 0.04 0.00 -1.10 0.00 0.00 62.75 61.68 2lfb n ILE 3 Cb 0.05 -0.94 -0.00 0.00 -0.84 0.00 0.00 39.64 37.91 2lfb n ILE 3 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 2lfb s ASP 4 N -4.49 -1.42 0.51 9.51 2.15 -1.26 -5.17 116.67 116.51 2lfb s ASP 4 Ca -0.01 0.36 -0.12 0.00 0.43 0.00 0.00 52.55 53.21 2lfb s ASP 4 Cb 0.00 1.98 -0.06 0.00 -0.30 0.00 0.00 42.92 44.54 2lfb s ASP 4 CO 0.01 -0.26 0.92 -2.16 -0.17 0.00 0.00 175.17 173.52 2lfb s PRO 5 N 2.85 3.78 -0.71 4.34 0.04 -1.26 -4.94 135.00 139.11 2lfb s PRO 5 Ca 0.14 0.70 -0.07 0.00 0.04 0.00 0.00 61.00 61.82 2lfb s PRO 5 Cb -0.11 -2.21 -0.12 0.00 0.04 0.00 0.00 34.50 32.11 2lfb s PRO 5 CO -0.24 -0.28 3.15 2.41 0.04 0.00 0.00 177.00 182.08 2lfb n THR 6 N -1.87 3.71 -3.19 1.26 -1.04 -1.26 -4.21 114.28 107.68 2lfb n THR 6 Ca 0.05 -2.40 -0.21 0.00 -2.04 0.00 0.00 64.05 59.45 2lfb n THR 6 Cb 0.54 -2.12 -0.05 0.00 -1.82 0.00 0.00 70.33 66.88 2lfb n THR 6 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2lfb n LYS 7 N 2.45 0.91 -1.12 -2.82 4.81 -1.26 -5.14 118.16 116.00 2lfb n LYS 7 Ca 0.57 -3.35 -0.29 0.00 -0.87 0.00 0.00 58.31 54.37 2lfb n LYS 7 Cb 0.58 -1.53 0.16 0.00 0.02 0.00 0.00 35.03 34.26 2lfb n LYS 7 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 2lfb s LYS 8 N -1.96 0.76 0.00 1.64 0.00 -1.26 -4.59 119.74 114.33 2lfb s LYS 8 Ca 0.38 0.74 0.00 0.00 0.00 0.00 0.00 55.97 57.10 2lfb s LYS 8 Cb 0.28 -1.76 0.00 0.00 0.00 0.00 0.00 37.83 36.35 2lfb s LYS 8 CO -0.09 -2.56 0.00 0.41 0.00 0.00 0.00 175.35 173.11 2lfb n GLY 9 N -0.89 0.73 0.00 0.59 0.00 -1.26 -5.13 105.19 99.22 2lfb n GLY 9 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.07 2.43 -1.92 1.61 1.85 -1.26 -5.11 116.66 114.19 2lfb n ARG 10 Ca 0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.49 2lfb n ARG 10 Cb 0.05 0.00 0.05 0.00 -1.05 0.00 0.00 32.46 31.50 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 -0.46 2.84 0.00 2.89 3.52 -1.26 -4.91 118.95 121.57 2lfb s ARG 11 Ca 0.00 1.92 0.00 0.00 -0.13 0.00 0.00 55.73 57.52 2lfb s ARG 11 Cb 0.00 -1.91 0.00 0.00 -1.56 0.00 0.00 34.95 31.48 2lfb s ARG 11 CO 0.00 -1.34 0.00 -1.71 -0.81 0.00 0.00 175.30 171.44 2lfb n ASN 12 N -1.68 0.00 -0.35 -2.12 2.85 -1.26 -4.97 115.26 107.73 2lfb n ASN 12 Ca 0.14 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 54.69 2lfb n ASN 12 Cb 0.49 0.00 0.24 0.00 1.24 0.00 0.00 39.78 41.75 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 0.00 0.90 -6.50 1.20 0.11 -1.95 -3.38 114.38 104.75 2lfb h ARG 13 Ca 0.00 -0.05 -0.66 0.00 0.10 0.00 0.00 59.98 59.37 2lfb h ARG 13 Cb 0.00 -0.20 -0.15 0.00 1.11 0.00 0.00 29.97 30.73 2lfb h ARG 13 CO 0.00 0.59 -0.72 0.12 0.10 0.00 0.00 179.97 180.07 2lfb s PHE 14 N -5.96 2.80 0.00 4.08 5.36 -1.26 -4.77 117.98 118.23 2lfb s PHE 14 Ca -0.12 -0.13 0.00 0.00 -0.96 0.00 0.00 56.93 55.72 2lfb s PHE 14 Cb 0.22 -1.45 0.00 0.00 -0.34 0.00 0.00 43.02 41.45 2lfb s PHE 14 CO 0.80 0.45 0.00 0.36 -1.46 0.00 0.00 175.22 175.37 2lfb n LYS 15 N 0.61 0.46 0.00 10.12 2.85 -1.26 -4.98 118.16 125.97 2lfb n LYS 15 Ca -0.13 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.13 2lfb n LYS 15 Cb 0.52 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.90 2lfb n LYS 15 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 2lfb n TRP 16 N 0.00 0.00 0.00 5.58 7.02 -1.26 -5.05 117.44 123.73 2lfb n TRP 16 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2lfb n TRP 16 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 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 1.86 3.35 0.19 6.99 0.00 -1.26 -4.89 105.19 111.43 2lfb n GLY 17 Ca 0.00 -1.29 -0.13 0.00 0.00 0.00 0.00 46.02 44.60 2lfb n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2lfb h PRO 18 N 0.00 -0.33 -0.95 1.61 0.13 -2.03 -2.76 132.00 127.68 2lfb h PRO 18 Ca 0.00 0.02 0.07 0.00 -0.87 0.00 0.00 66.00 65.22 2lfb h PRO 18 Cb 0.00 0.07 -0.07 0.00 0.13 0.00 0.00 31.00 31.14 2lfb h PRO 18 CO 0.00 -0.22 0.60 0.00 -0.23 0.00 0.00 178.00 178.15 2lfb h ALA 19 N 0.46 1.31 -1.00 -0.56 0.00 -1.97 0.35 119.26 117.86 2lfb h ALA 19 Ca -0.00 -0.01 0.20 0.00 0.00 0.00 0.00 54.91 55.09 2lfb h ALA 19 Cb 0.31 -0.27 -0.11 0.00 0.00 0.00 0.00 17.79 17.72 2lfb h ALA 19 CO -0.02 0.37 0.60 1.03 0.00 0.00 0.00 179.25 181.22 2lfb h SER 20 N 1.09 0.75 0.84 0.00 0.87 -1.83 0.25 113.55 115.51 2lfb h SER 20 Ca 0.41 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 61.08 2lfb h SER 20 Cb 0.18 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2lfb h SER 20 CO -0.18 0.24 0.00 1.56 -0.53 0.00 0.00 176.83 177.92 2lfb h GLN 21 N 0.72 0.00 0.28 2.24 1.08 -0.83 0.84 115.11 119.44 2lfb h GLN 21 Ca 0.59 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.77 2lfb h GLN 21 Cb 0.95 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.38 2lfb h GLN 21 CO -0.40 0.00 -0.13 0.37 -0.95 0.00 0.00 178.83 177.71 2lfb h GLN 22 N 0.00 -0.36 0.46 1.46 5.75 -0.98 -2.71 115.11 118.72 2lfb h GLN 22 Ca 0.00 0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 2lfb h GLN 22 Cb 0.42 0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.05 2lfb h GLN 22 CO 0.00 -0.08 -0.27 0.82 -2.65 0.00 0.00 178.83 176.65 2lfb h ILE 23 N -0.63 0.45 -0.57 2.39 5.03 -0.97 0.23 117.51 123.44 2lfb h ILE 23 Ca -0.04 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.78 2lfb h ILE 23 Cb 0.45 0.45 -0.06 0.00 -3.03 0.00 0.00 36.82 34.62 2lfb h ILE 23 CO 0.06 0.00 0.22 -0.07 -0.68 0.00 0.00 178.15 177.68 2lfb h LEU 24 N -0.69 0.24 -0.46 1.44 3.38 -1.03 0.57 115.31 118.76 2lfb h LEU 24 Ca -0.05 0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 2lfb h LEU 24 Cb 0.55 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2lfb h LEU 24 CO 0.07 0.16 -0.45 -0.26 0.09 0.00 0.00 178.44 178.04 2lfb h PHE 25 N 0.41 0.94 -0.45 1.13 -1.00 -1.23 -1.10 116.94 115.65 2lfb h PHE 25 Ca 0.28 -0.30 -0.00 0.00 2.81 0.00 0.00 57.97 60.75 2lfb h PHE 25 Cb 0.31 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.65 2lfb h PHE 25 CO -0.16 1.08 0.27 -0.56 -1.61 0.00 0.00 178.31 177.34 2lfb h GLN 26 N 0.62 0.61 0.34 1.51 3.07 0.36 0.10 115.11 121.72 2lfb h GLN 26 Ca 0.04 -0.06 -0.01 0.00 0.09 0.00 0.00 58.65 58.71 2lfb h GLN 26 Cb 1.02 -0.13 -0.00 0.00 0.08 0.00 0.00 27.48 28.45 2lfb h GLN 26 CO 0.10 0.46 -0.21 0.00 0.09 0.00 0.00 178.83 179.27 2lfb h ALA 27 N 1.12 -0.52 -0.95 0.06 0.00 -0.82 -1.95 119.26 116.20 2lfb h ALA 27 Ca 0.16 -0.10 0.18 0.00 0.00 0.00 0.00 54.91 55.15 2lfb h ALA 27 Cb 0.00 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 2lfb h ALA 27 CO -0.03 -0.80 0.60 -0.92 0.00 0.00 0.00 179.25 178.10 2lfb h TYR 28 N -0.53 0.84 -0.95 0.00 3.20 -0.81 0.36 116.97 119.09 2lfb h TYR 28 Ca -0.04 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2lfb h TYR 28 Cb 0.43 -0.26 -0.05 0.00 1.54 0.00 0.00 36.73 38.40 2lfb h TYR 28 CO -0.09 0.23 0.57 1.49 -1.64 0.00 0.00 178.16 178.72 2lfb h GLU 29 N 0.64 1.29 0.10 1.82 4.57 -0.32 -3.21 114.58 119.49 2lfb h GLU 29 Ca 0.51 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.56 2lfb h GLU 29 Cb 0.93 -0.27 0.00 0.00 -0.16 0.00 0.00 28.75 29.26 2lfb h GLU 29 CO -0.26 0.91 -0.05 0.00 -1.18 0.00 0.00 179.01 178.42 2lfb h ARG 30 N 1.31 -0.13 -2.24 1.92 2.47 0.39 -3.48 114.38 114.62 2lfb h ARG 30 Ca 0.34 0.01 -0.07 0.00 -1.26 0.00 0.00 59.98 59.00 2lfb h ARG 30 Cb -0.05 0.03 -0.21 0.00 -1.65 0.00 0.00 29.97 28.09 2lfb h ARG 30 CO -0.06 0.37 0.04 -1.14 0.56 0.00 0.00 179.97 179.74 2lfb s GLN 31 N -3.30 0.83 0.00 0.04 0.74 -0.25 -5.06 119.66 112.66 2lfb s GLN 31 Ca -0.14 0.54 0.09 0.00 0.05 0.00 0.00 55.36 55.91 2lfb s GLN 31 Cb 0.00 0.40 0.22 0.00 1.10 0.00 0.00 33.01 34.73 2lfb s GLN 31 CO 0.52 -0.18 1.14 1.63 -0.55 0.00 0.00 175.29 177.86 2lfb n LYS 32 N 1.96 2.50 -3.62 1.67 5.02 -1.26 -3.78 118.16 120.66 2lfb n LYS 32 Ca -0.16 -1.81 -0.29 0.00 -2.02 0.00 0.00 58.31 54.02 2lfb n LYS 32 Cb 0.56 -1.21 -0.14 0.00 -0.02 0.00 0.00 35.03 34.22 2lfb n LYS 32 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2lfb s ASN 33 N -0.96 3.61 -1.18 4.39 2.20 -1.26 -5.06 114.94 116.68 2lfb s ASN 33 Ca 0.18 -1.85 -0.22 0.00 -0.94 0.00 0.00 52.86 50.03 2lfb s ASN 33 Cb 0.09 -0.67 -0.07 0.00 -2.00 0.00 0.00 41.25 38.61 2lfb s ASN 33 CO 0.13 -0.37 1.91 -0.81 -2.94 0.00 0.00 177.10 175.01 2lfb n PRO 34 N 4.54 1.86 0.41 3.55 -0.04 -1.26 -4.76 135.00 139.30 2lfb n PRO 34 Ca 0.02 -2.55 -0.19 0.00 -0.04 0.00 0.00 63.50 60.73 2lfb n PRO 34 Cb 0.40 -3.63 -0.10 0.00 -0.04 0.00 0.00 33.50 30.13 2lfb n PRO 34 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2lfb h SER 35 N 9.17 -1.27 0.00 3.54 0.02 -1.99 -3.47 113.55 119.55 2lfb h SER 35 Ca 0.28 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 2lfb h SER 35 Cb 0.90 0.38 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2lfb h SER 35 CO 1.33 -0.74 0.00 1.17 -1.14 0.00 0.00 176.83 177.44 2lfb n LYS 36 N -5.57 0.00 -0.34 3.45 0.00 -1.26 -5.00 118.16 109.43 2lfb n LYS 36 Ca -0.14 0.00 0.10 0.00 0.00 0.00 0.00 58.31 58.27 2lfb n LYS 36 Cb 0.50 0.00 0.28 0.00 0.00 0.00 0.00 35.03 35.81 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 0.75 -0.84 1.64 3.07 -1.98 0.14 114.58 117.36 2lfb h GLU 37 Ca 0.00 -0.05 0.17 0.00 -0.50 0.00 0.00 59.36 58.99 2lfb h GLU 37 Cb 0.00 -0.17 -0.16 0.00 -0.84 0.00 0.00 28.75 27.58 2lfb h GLU 37 CO 0.00 0.50 -0.19 -1.91 -1.40 0.00 0.00 179.01 176.00 2lfb n GLU 38 N -4.77 -0.08 0.04 2.33 2.13 -1.26 -1.00 120.64 118.04 2lfb n GLU 38 Ca 0.21 1.31 -0.13 0.00 0.66 0.00 0.00 57.16 59.21 2lfb n GLU 38 Cb 0.50 -1.97 -0.08 0.00 0.27 0.00 0.00 31.44 30.16 2lfb n GLU 38 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2lfb h ARG 39 N 0.00 -0.06 0.29 5.31 2.47 -1.06 0.44 114.38 121.76 2lfb h ARG 39 Ca 0.41 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 59.13 2lfb h ARG 39 Cb 0.65 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.97 2lfb h ARG 39 CO -0.86 0.18 -0.24 0.93 0.56 0.00 0.00 179.97 180.54 2lfb h GLU 40 N -0.30 -0.51 -0.63 0.04 3.07 -1.13 0.08 114.58 115.19 2lfb h GLU 40 Ca -0.01 0.04 0.08 0.00 -0.50 0.00 0.00 59.36 58.97 2lfb h GLU 40 Cb 0.27 0.12 -0.11 0.00 -0.84 0.00 0.00 28.75 28.19 2lfb h GLU 40 CO 0.01 -0.34 -0.49 1.15 -1.40 0.00 0.00 179.01 177.94 2lfb h THR 41 N -0.53 0.04 0.26 1.13 2.02 -1.15 0.18 112.91 114.87 2lfb h THR 41 Ca -0.02 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.17 2lfb h THR 41 Cb 0.48 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 2lfb h THR 41 CO -0.02 0.00 -0.33 -0.07 0.37 0.00 0.00 175.52 175.47 2lfb h LEU 42 N -0.22 -0.92 -0.11 2.58 3.38 0.17 0.79 115.31 120.98 2lfb h LEU 42 Ca 0.16 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2lfb h LEU 42 Cb 0.55 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 2lfb h LEU 42 CO -0.73 -0.45 0.07 0.58 0.09 0.00 0.00 178.44 178.00 2lfb h VAL 43 N -0.65 1.04 0.75 1.22 2.07 -0.73 -1.29 116.25 118.66 2lfb h VAL 43 Ca -0.00 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 2lfb h VAL 43 Cb 0.62 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2lfb h VAL 43 CO -0.11 0.04 -0.40 -0.08 0.02 0.00 0.00 177.57 177.04 2lfb h GLU 44 N 0.13 -1.03 -0.75 1.57 4.57 -0.69 0.72 114.58 119.10 2lfb h GLU 44 Ca 0.04 0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.24 2lfb h GLU 44 Cb 0.01 0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 2lfb h GLU 44 CO -0.01 -0.68 0.29 0.93 -1.18 0.00 0.00 179.01 178.35 2lfb h GLU 45 N -1.07 1.12 0.54 1.92 4.39 -0.83 0.15 114.58 120.80 2lfb h GLU 45 Ca -0.10 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.38 2lfb h GLU 45 Cb 0.84 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 2lfb h GLU 45 CO 0.14 0.91 -0.49 0.00 -1.16 0.00 0.00 179.01 178.42 2lfb h ASN 47 N -1.02 -0.11 0.11 0.00 2.35 -0.04 0.38 115.58 117.25 2lfb h ASN 47 Ca -0.07 0.09 0.02 0.00 -0.55 0.00 0.00 56.30 55.80 2lfb h ASN 47 Cb 0.87 0.15 -0.05 0.00 0.05 0.00 0.00 38.32 39.35 2lfb h ASN 47 CO -0.03 -0.02 -0.39 -0.09 -1.65 0.00 0.00 177.43 175.24 2lfb h ARG 48 N 0.15 -0.60 -0.98 0.81 2.43 -0.64 0.13 114.38 115.68 2lfb h ARG 48 Ca 0.22 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.43 2lfb h ARG 48 Cb 0.30 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.94 2lfb h ARG 48 CO -0.33 -0.40 0.64 0.00 -1.51 0.00 0.00 179.97 178.36 2lfb h ALA 49 N -0.09 1.25 -0.49 2.80 0.00 -0.47 -2.69 119.26 119.56 2lfb h ALA 49 Ca 0.03 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2lfb h ALA 49 Cb 0.65 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2lfb h ALA 49 CO -0.24 0.66 -0.07 1.49 0.00 0.00 0.00 179.25 181.09 2lfb h GLU 50 N 1.34 0.87 -0.74 0.00 4.57 0.31 0.77 114.58 121.69 2lfb h GLU 50 Ca 0.36 -0.28 0.03 0.00 -1.18 0.00 0.00 59.36 58.29 2lfb h GLU 50 Cb -0.13 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.34 2lfb h GLU 50 CO -0.07 0.91 0.47 0.00 -1.18 0.00 0.00 179.01 179.14 2lfb h ILE 52 N 0.91 1.27 -0.46 0.00 2.04 -0.81 0.61 117.51 121.07 2lfb h ILE 52 Ca 0.30 -1.27 0.13 0.00 1.00 0.00 0.00 64.86 65.02 2lfb h ILE 52 Cb 0.02 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 2lfb h ILE 52 CO -0.11 0.43 0.62 1.56 0.00 0.00 0.00 178.15 180.65 2lfb h GLN 53 N 0.70 0.00 0.00 2.37 4.20 -0.52 -0.74 115.11 121.12 2lfb h GLN 53 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2lfb h GLN 53 Cb 0.68 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.46 2lfb h GLN 53 CO 0.05 0.00 -0.20 2.89 -0.67 0.00 0.00 178.83 180.90 2lfb n ARG 54 N -3.42 0.80 -4.04 1.46 1.85 -0.75 -5.02 116.66 107.54 2lfb n ARG 54 Ca 0.09 -1.61 -0.33 0.00 -1.00 0.00 0.00 57.85 55.00 2lfb n ARG 54 Cb 0.80 -0.94 0.00 0.00 -1.05 0.00 0.00 32.46 31.27 2lfb n ARG 54 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2lfb n GLY 55 N -0.61 -0.48 3.80 2.89 0.00 -0.08 -4.98 105.19 105.74 2lfb n GLY 55 Ca 0.06 0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.27 3.73 0.31 1.61 1.01 0.01 -4.99 120.40 118.82 2lfb s VAL 56 Ca 0.70 0.89 -0.29 0.00 0.00 0.00 0.00 61.98 63.28 2lfb s VAL 56 Cb -0.37 -3.38 -0.11 0.00 0.00 0.00 0.00 36.38 32.53 2lfb s VAL 56 CO 0.86 -0.42 1.52 -0.44 0.00 0.00 0.00 175.10 176.63 2lfb s SER 57 N -2.53 6.43 0.21 3.32 0.01 -1.26 -4.48 113.70 115.40 2lfb s SER 57 Ca 0.65 2.92 -0.09 0.00 1.31 0.00 0.00 55.95 60.74 2lfb s SER 57 Cb -0.17 -2.64 0.26 0.00 0.21 0.00 0.00 66.02 63.68 2lfb s SER 57 CO 0.33 -0.85 1.79 1.55 0.41 0.00 0.00 173.24 176.48 2lfb h PRO 58 N 4.28 0.62 -0.18 12.44 0.13 -1.95 0.11 132.00 147.44 2lfb h PRO 58 Ca -0.48 -0.04 0.05 0.00 -0.87 0.00 0.00 66.00 64.67 2lfb h PRO 58 Cb 1.23 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2lfb h PRO 58 CO 0.74 0.41 0.31 0.66 -0.23 0.00 0.00 178.00 179.89 2lfb h SER 59 N 0.63 0.00 -0.50 1.44 4.64 -2.00 -0.64 113.55 117.12 2lfb h SER 59 Ca 0.31 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.38 2lfb h SER 59 Cb 0.25 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.19 2lfb h SER 59 CO -0.21 0.00 0.09 0.00 -0.87 0.00 0.00 176.83 175.84 2lfb n GLN 60 N -3.41 2.01 0.30 4.77 6.02 0.36 -4.63 117.38 122.80 2lfb n GLN 60 Ca 0.02 -3.14 0.18 0.00 -0.01 0.00 0.00 57.00 54.05 2lfb n GLN 60 Cb 0.42 -1.91 0.89 0.00 1.02 0.00 0.00 30.24 30.66 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 1.06 1.07 0.00 -1.58 0.00 -1.02 0.11 119.26 118.91 2lfb h ALA 61 Ca 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2lfb h ALA 61 Cb 1.95 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.73 2lfb h ALA 61 CO 0.56 0.04 0.00 1.04 0.00 0.00 0.00 179.25 180.89 2lfb n GLN 62 N -3.23 0.05 -0.03 0.00 1.13 -1.26 -4.18 117.38 109.85 2lfb n GLN 62 Ca -0.01 0.05 -0.13 0.00 -1.94 0.00 0.00 57.00 54.97 2lfb n GLN 62 Cb 0.21 -1.55 -0.09 0.00 0.11 0.00 0.00 30.24 28.91 2lfb n GLN 62 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 2lfb h GLY 63 N 4.74 0.15 -3.56 1.08 0.00 -1.13 -3.38 103.07 100.98 2lfb h GLY 63 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 2lfb h GLY 63 CO 0.00 0.14 0.00 1.47 0.00 0.00 0.00 176.54 178.15 2lfb n LEU 64 N -4.74 2.44 -0.04 3.11 -0.00 -1.25 -4.75 117.00 111.77 2lfb n LEU 64 Ca -0.08 -1.11 0.00 0.00 -0.00 0.00 0.00 56.01 54.83 2lfb n LEU 64 Cb 0.29 -0.52 0.01 0.00 -0.00 0.00 0.00 43.42 43.21 2lfb n LEU 64 CO 0.36 0.46 0.07 0.61 -0.00 0.00 0.00 177.39 178.89 2lfb n GLY 65 N 1.78 -0.21 0.33 1.47 0.00 -1.26 -0.40 105.19 106.91 2lfb n GLY 65 Ca 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 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 -4.18 -0.65 -0.00 1.61 2.88 -1.26 -3.28 113.62 108.74 2lfb n SER 66 Ca 0.02 1.47 0.00 0.00 -1.33 0.00 0.00 58.87 59.03 2lfb n SER 66 Cb 0.05 -0.29 -0.00 0.00 -0.75 0.00 0.00 64.21 63.22 2lfb n SER 66 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2lfb n ASN 67 N -5.18 1.44 -4.37 -3.46 6.94 0.34 -4.61 115.26 106.36 2lfb n ASN 67 Ca 0.07 -0.37 -0.43 0.00 -0.02 0.00 0.00 54.58 53.83 2lfb n ASN 67 Cb 0.30 1.01 -0.00 0.00 -2.36 0.00 0.00 39.78 38.73 2lfb n ASN 67 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2lfb n LEU 68 N -1.17 -1.67 -4.90 -4.53 7.94 0.47 -4.86 117.00 108.29 2lfb n LEU 68 Ca 0.00 0.89 -0.29 0.00 -1.11 0.00 0.00 56.01 55.50 2lfb n LEU 68 Cb 0.01 -0.97 -0.04 0.00 0.53 0.00 0.00 43.42 42.95 2lfb n LEU 68 CO 0.01 -3.57 -0.16 0.54 -1.11 0.00 0.00 177.39 173.10 2lfb s VAL 69 N -1.51 5.17 0.29 1.96 0.11 -1.26 -4.90 120.40 120.26 2lfb s VAL 69 Ca 0.61 -0.59 0.07 0.00 -2.93 0.00 0.00 61.98 59.14 2lfb s VAL 69 Cb -0.67 -3.57 -0.06 0.00 -1.53 0.00 0.00 36.38 30.56 2lfb s VAL 69 CO 0.60 0.05 -0.06 0.42 -3.33 0.00 0.00 175.10 172.79 2lfb s THR 70 N -1.58 1.70 0.19 5.04 -4.23 -1.26 -4.94 115.64 110.56 2lfb s THR 70 Ca 0.34 -2.13 -0.22 0.00 -1.18 0.00 0.00 61.69 58.50 2lfb s THR 70 Cb -0.12 -2.49 0.12 0.00 1.34 0.00 0.00 72.50 71.34 2lfb s THR 70 CO 0.27 -0.27 1.58 -0.33 -0.54 0.00 0.00 174.62 175.32 2lfb h GLU 71 N 2.24 -0.15 -0.31 3.99 5.08 -2.00 -0.02 114.58 123.40 2lfb h GLU 71 Ca -0.40 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.06 2lfb h GLU 71 Cb 1.24 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 2lfb h GLU 71 CO 0.68 -0.10 0.32 -0.24 -1.00 0.00 0.00 179.01 178.67 2lfb h VAL 72 N -0.16 0.45 0.16 3.13 3.04 -1.97 0.28 116.25 121.17 2lfb h VAL 72 Ca 0.23 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.91 2lfb h VAL 72 Cb 0.56 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 30.58 2lfb h VAL 72 CO -0.72 0.00 -0.07 0.03 -1.01 0.00 0.00 177.57 175.80 2lfb h ARG 73 N 0.00 -0.20 -0.88 4.17 2.47 -1.40 -2.11 114.38 116.43 2lfb h ARG 73 Ca 0.15 0.01 0.15 0.00 -1.26 0.00 0.00 59.98 59.03 2lfb h ARG 73 Cb 0.80 0.05 -0.07 0.00 -1.65 0.00 0.00 29.97 29.09 2lfb h ARG 73 CO -0.00 0.20 0.57 0.28 0.56 0.00 0.00 179.97 181.58 2lfb h VAL 74 N -0.92 0.82 0.48 2.04 2.07 -1.10 -0.13 116.25 119.52 2lfb h VAL 74 Ca -0.02 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2lfb h VAL 74 Cb 0.50 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 2lfb h VAL 74 CO 0.04 0.12 -0.46 0.22 0.02 0.00 0.00 177.57 177.51 2lfb h TYR 75 N 0.67 -1.26 -0.12 1.57 5.03 -0.51 0.28 116.97 122.63 2lfb h TYR 75 Ca 0.45 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.80 2lfb h TYR 75 Cb 0.74 0.49 -0.00 0.00 1.55 0.00 0.00 36.73 39.51 2lfb h TYR 75 CO -0.00 -0.63 0.09 -2.95 -1.32 0.00 0.00 178.16 173.35 2lfb h ASN 76 N -0.95 0.00 0.00 -2.11 7.08 -0.43 0.12 115.58 119.30 2lfb h ASN 76 Ca -0.05 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.17 2lfb h ASN 76 Cb 0.82 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.06 2lfb h ASN 76 CO -0.05 0.00 0.00 1.87 -2.08 0.00 0.00 177.43 177.17 2lfb n TRP 77 N -4.25 0.00 -0.17 4.14 -0.00 -0.21 -2.78 117.44 114.17 2lfb n TRP 77 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.50 57.47 2lfb n TRP 77 Cb 0.21 -0.40 0.04 0.00 -0.00 0.00 0.00 31.31 31.16 2lfb n TRP 77 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 177.69 178.43 2lfb h PHE 78 N 0.00 -0.25 -0.18 5.87 -1.00 -0.30 0.34 116.94 121.42 2lfb h PHE 78 Ca 0.00 0.05 0.05 0.00 2.81 0.00 0.00 57.97 60.87 2lfb h PHE 78 Cb 0.00 0.19 -0.05 0.00 3.61 0.00 0.00 35.95 39.70 2lfb h PHE 78 CO 0.11 -0.21 -0.12 0.00 -1.61 0.00 0.00 178.31 176.47 2lfb h ALA 79 N 1.51 0.02 -0.09 2.45 0.00 -0.93 -0.77 119.26 121.46 2lfb h ALA 79 Ca 0.25 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 2lfb h ALA 79 Cb 0.38 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2lfb h ALA 79 CO -0.52 -0.56 -0.23 -0.97 0.00 0.00 0.00 179.25 176.98 2lfb h ASN 80 N -0.12 0.15 -1.00 0.00 -1.24 -1.01 -2.34 115.58 110.01 2lfb h ASN 80 Ca 0.11 -0.04 0.04 0.00 0.71 0.00 0.00 56.30 57.12 2lfb h ASN 80 Cb 0.28 -0.04 -0.06 0.00 0.73 0.00 0.00 38.32 39.23 2lfb h ASN 80 CO -0.26 0.39 0.65 -0.09 -1.29 0.00 0.00 177.43 176.83 2lfb h ARG 81 N 0.14 1.21 -0.40 6.67 9.65 0.95 0.72 114.38 133.32 2lfb h ARG 81 Ca 0.02 -0.07 0.08 0.00 -1.10 0.00 0.00 59.98 58.92 2lfb h ARG 81 Cb 0.49 -0.27 -0.09 0.00 -1.39 0.00 0.00 29.97 28.71 2lfb h ARG 81 CO 0.03 0.80 -0.19 0.00 2.80 0.00 0.00 179.97 183.41 2lfb h ARG 82 N 1.25 -0.11 -0.85 0.20 3.08 -0.63 -1.34 114.38 115.98 2lfb h ARG 82 Ca 0.40 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.44 2lfb h ARG 82 Cb 0.03 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 2lfb h ARG 82 CO -0.13 -0.08 0.44 0.87 -1.07 0.00 0.00 179.97 180.00 2lfb h LYS 83 N -0.12 1.20 0.00 0.04 1.79 -1.03 0.38 116.57 118.83 2lfb h LYS 83 Ca 0.19 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2lfb h LYS 83 Cb 0.42 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 2lfb h LYS 83 CO -0.47 0.90 0.12 1.49 -1.08 0.00 0.00 179.45 180.41 2lfb h GLU 84 N 1.20 0.00 0.00 3.15 4.81 0.12 0.11 114.58 123.97 2lfb h GLU 84 Ca 0.30 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.43 2lfb h GLU 84 Cb 0.07 0.00 -0.20 0.00 0.63 0.00 0.00 28.75 29.25 2lfb h GLU 84 CO -0.04 0.00 -0.75 -1.91 -0.73 0.00 0.00 179.01 175.58 2lfb n GLU 85 N -2.33 0.62 0.00 1.92 2.13 0.29 -4.82 120.64 118.45 2lfb n GLU 85 Ca -0.01 -2.40 0.00 0.00 0.66 0.00 0.00 57.16 55.41 2lfb n GLU 85 Cb 0.15 -0.68 0.00 0.00 0.27 0.00 0.00 31.44 31.18 2lfb n GLU 85 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2lfb n ALA 86 N -0.21 0.76 0.23 4.31 0.00 0.11 -4.60 120.51 121.10 2lfb n ALA 86 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.45 2lfb n ALA 86 Cb 0.93 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.33 2lfb n ALA 86 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2lfb h PHE 87 N 0.00 -0.65 -0.55 0.00 3.04 -1.05 -0.42 116.94 117.32 2lfb h PHE 87 Ca 0.00 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.91 2lfb h PHE 87 Cb 0.00 0.23 -0.02 0.00 2.56 0.00 0.00 35.95 38.71 2lfb h PHE 87 CO 0.00 -0.37 0.22 -0.09 -2.02 0.00 0.00 178.31 176.05 2lfb h ARG 88 N -0.62 0.82 -0.98 1.11 1.12 -1.83 -2.10 114.38 111.90 2lfb h ARG 88 Ca -0.06 -0.15 0.11 0.00 -1.11 0.00 0.00 59.98 58.78 2lfb h ARG 88 Cb 0.49 -0.13 -0.08 0.00 -0.01 0.00 0.00 29.97 30.24 2lfb h ARG 88 CO 0.07 0.71 0.62 1.25 -3.11 0.00 0.00 179.97 179.51 2lfb h HIS 89 N 0.75 1.10 0.00 2.20 2.76 -1.80 0.10 115.15 120.26 2lfb h HIS 89 Ca 0.18 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.38 2lfb h HIS 89 Cb 0.20 -0.35 -0.00 0.00 1.55 0.00 0.00 27.41 28.81 2lfb h HIS 89 CO 0.01 0.46 -0.00 -0.22 -1.30 0.00 0.00 177.93 176.87 2lfb h LYS 90 N 0.98 0.00 0.34 5.26 3.64 -0.86 -3.40 116.57 122.53 2lfb h LYS 90 Ca 0.47 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.84 2lfb h LYS 90 Cb 0.46 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2lfb h LYS 90 CO -0.24 0.10 -0.23 -0.07 -2.27 0.00 0.00 179.45 176.75 2lfb h LEU 91 N -1.00 -0.57 2.26 5.20 4.07 -1.13 -3.46 115.31 120.67 2lfb h LEU 91 Ca -0.00 0.04 -0.22 0.00 0.08 0.00 0.00 57.88 57.78 2lfb h LEU 91 Cb 0.11 0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.00 2lfb h LEU 91 CO -0.00 -0.36 -0.27 0.00 -1.08 0.00 0.00 178.44 176.74 2lfb n ALA 92 N -2.43 -0.69 -2.55 1.53 0.00 0.34 -4.72 120.51 111.99 2lfb n ALA 92 Ca -0.10 0.10 -0.02 0.00 0.00 0.00 0.00 53.44 53.43 2lfb n ALA 92 Cb 0.26 -1.36 0.06 0.00 0.00 0.00 0.00 19.45 18.41 2lfb n ALA 92 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2lfb n MET 93 N -2.59 1.04 0.05 0.00 2.81 -1.26 -4.96 117.12 112.20 2lfb n MET 93 Ca -0.13 -1.73 0.00 0.00 -1.81 0.00 0.00 57.70 54.03 2lfb n MET 93 Cb 0.56 -0.03 0.00 0.00 -0.71 0.00 0.00 33.22 33.04 2lfb n MET 93 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2lfb n ASP 94 N -0.84 -0.04 0.00 7.83 -0.08 -1.26 -5.17 116.55 116.99 2lfb n ASP 94 Ca -0.13 0.16 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 2lfb n ASP 94 Cb 0.85 0.13 0.00 0.00 2.34 0.00 0.00 41.12 44.44 2lfb n ASP 94 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2lfb n THR 95 N -2.83 0.00 -0.43 5.18 -1.04 -1.26 -5.09 114.28 108.81 2lfb n THR 95 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2lfb n THR 95 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 0.36 0.00 -1.72 -1.42 9.36 -1.26 -4.43 117.16 118.05 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 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 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 14.00 0.00 -2.17 2.98 5.02 -1.26 -4.75 118.16 131.97 2lfb n LYS 97 Ca 0.00 -0.19 -0.02 0.00 -2.02 0.00 0.00 58.31 56.08 2lfb n LYS 97 Cb 0.00 -0.17 0.03 0.00 -0.02 0.00 0.00 35.03 34.87 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 0.00 -0.78 0.00 -0.35 0.00 -1.26 -4.66 117.00 109.95 2lfb n LEU 98 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 56.01 54.15 2lfb n LEU 98 Cb 0.51 0.71 0.00 0.00 0.00 0.00 0.00 43.42 44.64 2lfb n LEU 98 CO 0.00 1.25 0.00 -0.46 0.00 0.00 0.00 177.39 178.18