#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 -3.79 3.04 0.00 -1.26 -4.96 120.51 113.54 2lfb n ALA 1 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 2lfb n ALA 1 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 2lfb n ALA 1 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2lfb n ARG 2 N 0.00 -1.15 -2.54 0.00 0.63 -1.26 -4.85 116.66 107.49 2lfb n ARG 2 Ca 0.00 0.61 -0.43 0.00 -0.92 0.00 0.00 57.85 57.11 2lfb n ARG 2 Cb 0.00 -2.85 0.00 0.00 0.45 0.00 0.00 32.46 30.07 2lfb n ARG 2 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 2lfb n ILE 3 N -3.36 4.00 -0.17 5.15 3.06 -1.26 -4.88 119.36 121.90 2lfb n ILE 3 Ca -0.21 -4.15 0.16 0.00 -2.50 0.00 0.00 62.75 56.04 2lfb n ILE 3 Cb 0.63 -2.42 0.50 0.00 0.54 0.00 0.00 39.64 38.89 2lfb n ILE 3 CO 0.00 0.00 0.00 -2.24 -2.50 0.00 0.00 176.55 171.81 2lfb h ASP 4 N 7.06 0.40 -0.18 9.51 2.03 -2.06 -2.72 116.42 130.46 2lfb h ASP 4 Ca 0.43 0.02 -0.30 0.00 -0.73 0.00 0.00 57.03 56.45 2lfb h ASP 4 Cb 0.82 -0.06 -0.07 0.00 -0.83 0.00 0.00 39.33 39.19 2lfb h ASP 4 CO 1.48 0.20 0.28 -0.81 -1.03 0.00 0.00 179.24 179.36 2lfb n PRO 5 N -4.48 2.32 -0.02 4.15 -0.04 -1.26 -4.57 135.00 131.09 2lfb n PRO 5 Ca 0.15 -1.39 -0.13 0.00 -0.04 0.00 0.00 63.50 62.09 2lfb n PRO 5 Cb 0.54 -2.13 -0.09 0.00 -0.04 0.00 0.00 33.50 31.78 2lfb n PRO 5 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2lfb h THR 6 N 2.13 1.34 0.00 0.52 2.02 -1.92 -3.47 112.91 113.53 2lfb h THR 6 Ca 0.31 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 66.44 2lfb h THR 6 Cb 1.24 1.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.62 2lfb h THR 6 CO 0.53 0.28 0.00 2.29 0.37 0.00 0.00 175.52 178.99 2lfb n LYS 7 N -4.82 0.00 -3.65 6.66 2.85 -1.26 -4.98 118.16 112.95 2lfb n LYS 7 Ca -0.08 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 56.96 2lfb n LYS 7 Cb 0.25 0.00 0.06 0.00 -0.65 0.00 0.00 35.03 34.68 2lfb n LYS 7 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2lfb n LYS 8 N 0.00 -6.12 -0.11 -1.58 5.02 -1.26 -4.86 118.16 109.25 2lfb n LYS 8 Ca 0.00 0.72 0.03 0.00 -2.02 0.00 0.00 58.31 57.04 2lfb n LYS 8 Cb 0.00 -5.57 0.09 0.00 -0.02 0.00 0.00 35.03 29.53 2lfb n LYS 8 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2lfb n GLY 9 N -1.57 0.02 5.50 0.72 0.00 -1.26 -4.95 105.19 103.65 2lfb n GLY 9 Ca -0.16 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.08 0.00 -0.30 1.61 1.85 -1.26 -4.49 116.66 114.14 2lfb n ARG 10 Ca 0.07 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.64 2lfb n ARG 10 Cb 0.18 0.00 0.26 0.00 -1.05 0.00 0.00 32.46 31.85 2lfb n ARG 10 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 2lfb n ARG 11 N 0.00 -4.20 -1.26 2.89 0.63 -1.26 -3.81 116.66 109.65 2lfb n ARG 11 Ca 0.00 -1.25 -0.09 0.00 -0.92 0.00 0.00 57.85 55.59 2lfb n ARG 11 Cb 0.00 -1.83 -0.04 0.00 0.45 0.00 0.00 32.46 31.05 2lfb n ARG 11 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2lfb n ASN 12 N -4.71 -4.72 0.33 6.15 2.85 -1.26 -4.90 115.26 109.01 2lfb n ASN 12 Ca 0.11 0.22 -0.17 0.00 -0.11 0.00 0.00 54.58 54.63 2lfb n ASN 12 Cb 0.53 -3.01 -0.09 0.00 1.24 0.00 0.00 39.78 38.46 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 0.12 -0.77 -6.64 1.20 -0.00 -1.91 -3.38 114.38 102.99 2lfb h ARG 13 Ca -0.18 0.05 -0.52 0.00 -0.00 0.00 0.00 59.98 59.32 2lfb h ARG 13 Cb 0.80 0.18 0.05 0.00 -0.00 0.00 0.00 29.97 30.99 2lfb h ARG 13 CO 0.27 -0.51 0.86 0.12 -0.00 0.00 0.00 179.97 180.71 2lfb s PHE 14 N -6.05 3.03 0.24 4.08 2.19 -1.26 -5.02 117.98 115.19 2lfb s PHE 14 Ca -0.17 0.70 0.11 0.00 0.33 0.00 0.00 56.93 57.90 2lfb s PHE 14 Cb 0.04 -3.92 -0.05 0.00 -1.31 0.00 0.00 43.02 37.78 2lfb s PHE 14 CO 0.62 -3.32 -0.16 -1.59 1.83 0.00 0.00 175.22 172.60 2lfb s LYS 15 N 0.78 1.80 0.00 10.12 -2.85 -1.26 -5.13 119.74 123.20 2lfb s LYS 15 Ca 0.68 -1.56 0.00 0.00 -1.00 0.00 0.00 55.97 54.09 2lfb s LYS 15 Cb -0.44 -1.92 0.00 0.00 -2.06 0.00 0.00 37.83 33.41 2lfb s LYS 15 CO 0.34 0.37 0.00 0.91 0.10 0.00 0.00 175.35 177.08 2lfb n TRP 16 N -0.29 0.00 0.00 1.78 7.02 -1.26 -4.89 117.44 119.80 2lfb n TRP 16 Ca -0.08 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.40 2lfb n TRP 16 Cb 0.58 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.47 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 2.71 1.32 0.24 6.99 0.00 -1.26 -4.93 105.19 110.26 2lfb n GLY 17 Ca 0.00 -0.74 0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 0.11 1.61 0.13 -2.02 -2.92 132.00 128.91 2lfb h PRO 18 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2lfb h PRO 18 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2lfb h PRO 18 CO 0.00 0.12 -0.05 0.00 -0.23 0.00 0.00 178.00 177.84 2lfb h ALA 19 N 1.88 -0.15 -0.72 -0.56 0.00 -1.96 -3.37 119.26 114.39 2lfb h ALA 19 Ca -0.00 -0.13 0.23 0.00 0.00 0.00 0.00 54.91 55.01 2lfb h ALA 19 Cb 0.72 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.43 2lfb h ALA 19 CO 0.02 -0.15 0.12 0.43 0.00 0.00 0.00 179.25 179.66 2lfb n SER 20 N -4.86 0.01 -0.25 0.00 7.64 -1.16 -0.35 113.62 114.65 2lfb n SER 20 Ca -0.04 1.21 0.06 0.00 1.01 0.00 0.00 58.87 61.10 2lfb n SER 20 Cb 0.15 -0.48 0.19 0.00 -1.01 0.00 0.00 64.21 63.06 2lfb n SER 20 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2lfb h GLN 21 N 0.00 0.38 -0.77 1.43 1.08 -1.68 -0.09 115.11 115.46 2lfb h GLN 21 Ca 0.48 -0.02 0.13 0.00 -1.45 0.00 0.00 58.65 57.79 2lfb h GLN 21 Cb 1.09 -0.08 -0.09 0.00 -0.05 0.00 0.00 27.48 28.35 2lfb h GLN 21 CO -0.64 0.25 0.35 -0.56 -0.95 0.00 0.00 178.83 177.28 2lfb h GLN 22 N 0.39 0.52 -0.19 1.46 3.07 -0.92 0.44 115.11 119.88 2lfb h GLN 22 Ca 0.42 -0.03 -0.02 0.00 0.09 0.00 0.00 58.65 59.11 2lfb h GLN 22 Cb 0.66 -0.12 -0.01 0.00 0.08 0.00 0.00 27.48 28.10 2lfb h GLN 22 CO -0.44 0.35 0.04 0.82 0.09 0.00 0.00 178.83 179.69 2lfb h ILE 23 N 0.54 1.21 -0.20 1.86 1.08 -1.17 -1.16 117.51 119.68 2lfb h ILE 23 Ca 0.41 -0.67 -0.01 0.00 -0.39 0.00 0.00 64.86 64.19 2lfb h ILE 23 Cb 0.56 1.29 -0.01 0.00 -3.07 0.00 0.00 36.82 35.59 2lfb h ILE 23 CO -0.35 0.21 0.07 -0.07 -0.69 0.00 0.00 178.15 177.32 2lfb h LEU 24 N 0.12 0.27 0.22 1.44 3.38 -0.27 0.44 115.31 120.91 2lfb h LEU 24 Ca 0.06 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2lfb h LEU 24 Cb 0.28 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2lfb h LEU 24 CO 0.00 0.37 -0.22 -0.26 0.09 0.00 0.00 178.44 178.43 2lfb h PHE 25 N 0.16 -0.57 -0.82 1.13 0.04 -0.88 0.79 116.94 116.78 2lfb h PHE 25 Ca 0.06 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.88 2lfb h PHE 25 Cb 0.19 0.22 -0.05 0.00 2.20 0.00 0.00 35.95 38.51 2lfb h PHE 25 CO -0.01 -0.32 0.54 -0.56 -0.60 0.00 0.00 178.31 177.36 2lfb h GLN 26 N -0.47 0.94 -0.22 1.51 3.07 -1.01 -0.21 115.11 118.72 2lfb h GLN 26 Ca -0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 58.65 58.66 2lfb h GLN 26 Cb 0.44 -0.21 -0.01 0.00 0.08 0.00 0.00 27.48 27.78 2lfb h GLN 26 CO -0.05 0.62 0.05 0.00 0.09 0.00 0.00 178.83 179.55 2lfb h ALA 27 N 1.53 0.29 -0.69 0.06 0.00 -0.37 -0.82 119.26 119.27 2lfb h ALA 27 Ca 0.34 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 55.23 2lfb h ALA 27 Cb 0.11 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.72 2lfb h ALA 27 CO -0.11 -0.06 0.14 -0.92 0.00 0.00 0.00 179.25 178.30 2lfb h TYR 28 N 0.17 0.20 0.00 0.00 3.20 -0.12 0.11 116.97 120.53 2lfb h TYR 28 Ca 0.07 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 2lfb h TYR 28 Cb 0.28 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 2lfb h TYR 28 CO 0.01 -0.09 -0.13 1.49 -1.64 0.00 0.00 178.16 177.80 2lfb h GLU 29 N 0.24 0.00 0.18 1.82 4.57 -0.34 -2.54 114.58 118.51 2lfb h GLU 29 Ca 0.38 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.55 2lfb h GLU 29 Cb 0.63 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 2lfb h GLU 29 CO -0.49 0.13 -0.09 0.00 -1.18 0.00 0.00 179.01 177.38 2lfb h ARG 30 N 0.00 -0.23 -2.24 1.92 3.08 0.55 -3.49 114.38 113.98 2lfb h ARG 30 Ca -0.00 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 2lfb h ARG 30 Cb 0.27 0.05 -0.17 0.00 0.08 0.00 0.00 29.97 30.20 2lfb h ARG 30 CO 0.02 0.14 0.27 1.14 -1.07 0.00 0.00 179.97 180.47 2lfb s GLN 31 N -3.11 1.04 -0.07 0.04 -2.07 -0.14 -5.06 119.66 110.29 2lfb s GLN 31 Ca -0.11 -0.00 0.05 0.00 -1.82 0.00 0.00 55.36 53.48 2lfb s GLN 31 Cb 0.00 0.48 -0.24 0.00 -1.09 0.00 0.00 33.01 32.16 2lfb s GLN 31 CO 0.39 -0.38 0.58 0.87 -1.32 0.00 0.00 175.29 175.43 2lfb h LYS 32 N 2.58 0.11 -5.63 9.60 6.56 -1.81 -3.30 116.57 124.68 2lfb h LYS 32 Ca -0.27 -0.19 -0.61 0.00 -1.06 0.00 0.00 60.65 58.52 2lfb h LYS 32 Cb 1.20 0.07 -0.11 0.00 -0.57 0.00 0.00 32.23 32.82 2lfb h LYS 32 CO 0.37 0.80 0.28 -0.80 -2.06 0.00 0.00 179.45 178.04 2lfb s ASN 33 N -6.50 6.64 -1.20 0.86 0.01 -1.26 -4.87 114.94 108.62 2lfb s ASN 33 Ca -0.11 0.72 -0.20 0.00 -0.71 0.00 0.00 52.86 52.56 2lfb s ASN 33 Cb 0.07 -2.37 -0.02 0.00 0.41 0.00 0.00 41.25 39.34 2lfb s ASN 33 CO 0.81 -0.48 1.91 -0.81 -1.51 0.00 0.00 177.10 177.02 2lfb n PRO 34 N 5.92 2.34 0.24 -0.60 -0.04 -1.26 -4.78 135.00 136.82 2lfb n PRO 34 Ca 0.02 -2.67 0.11 0.00 -0.04 0.00 0.00 63.50 60.91 2lfb n PRO 34 Cb 0.48 -3.45 0.56 0.00 -0.04 0.00 0.00 33.50 31.06 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 8.07 0.00 0.00 3.54 0.02 -1.96 -3.42 113.55 119.80 2lfb h SER 35 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 2lfb h SER 35 Cb 0.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.36 2lfb h SER 35 CO 1.53 0.20 0.00 2.29 -1.14 0.00 0.00 176.83 179.71 2lfb n LYS 36 N -3.51 0.00 -0.27 3.45 2.85 -1.26 -5.00 118.16 114.42 2lfb n LYS 36 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 2lfb n LYS 36 Cb 0.36 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.78 2lfb n LYS 36 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2lfb n GLU 37 N 0.00 -0.15 -0.33 -1.58 2.13 -1.26 -0.40 120.64 119.05 2lfb n GLU 37 Ca 0.00 1.08 0.17 0.00 0.66 0.00 0.00 57.16 59.07 2lfb n GLU 37 Cb 0.00 -1.61 0.32 0.00 0.27 0.00 0.00 31.44 30.43 2lfb n GLU 37 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2lfb n GLU 38 N -5.05 -0.07 0.24 5.31 4.07 -1.26 -0.72 120.64 123.16 2lfb n GLU 38 Ca 0.08 1.43 -0.12 0.00 -0.06 0.00 0.00 57.16 58.48 2lfb n GLU 38 Cb 0.29 -2.30 -0.06 0.00 -0.06 0.00 0.00 31.44 29.31 2lfb n GLU 38 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 2lfb h ARG 39 N 0.00 -0.69 -0.20 5.31 2.43 -0.99 0.30 114.38 120.54 2lfb h ARG 39 Ca 0.62 0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.89 2lfb h ARG 39 Cb 1.33 0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 30.97 2lfb h ARG 39 CO -0.88 -0.46 -0.35 0.93 -1.51 0.00 0.00 179.97 177.69 2lfb h GLU 40 N -0.72 -0.37 -0.65 0.20 3.07 -1.19 -0.23 114.58 114.69 2lfb h GLU 40 Ca -0.06 0.03 0.09 0.00 -0.50 0.00 0.00 59.36 58.92 2lfb h GLU 40 Cb 0.59 0.08 -0.11 0.00 -0.84 0.00 0.00 28.75 28.47 2lfb h GLU 40 CO 0.02 -0.25 -0.44 1.15 -1.40 0.00 0.00 179.01 178.09 2lfb h THR 41 N -0.39 0.07 -0.58 1.13 2.02 -0.89 -1.66 112.91 112.61 2lfb h THR 41 Ca 0.11 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 2lfb h THR 41 Cb 0.57 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 2lfb h THR 41 CO -0.41 0.00 0.32 0.25 0.37 0.00 0.00 175.52 176.05 2lfb h LEU 42 N -0.19 0.72 0.44 2.58 6.46 0.14 0.24 115.31 125.69 2lfb h LEU 42 Ca 0.19 -0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.85 2lfb h LEU 42 Cb 0.55 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 2lfb h LEU 42 CO -0.74 0.60 -0.27 0.58 -0.62 0.00 0.00 178.44 177.98 2lfb h VAL 43 N 0.78 0.43 0.09 1.05 2.07 -0.77 0.91 116.25 120.82 2lfb h VAL 43 Ca 0.20 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.73 2lfb h VAL 43 Cb 0.03 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 2lfb h VAL 43 CO -0.03 0.00 -0.41 -0.08 0.02 0.00 0.00 177.57 177.06 2lfb h GLU 44 N -0.68 -0.57 -0.81 1.57 4.57 -0.73 0.63 114.58 118.56 2lfb h GLU 44 Ca -0.05 0.04 0.12 0.00 -1.18 0.00 0.00 59.36 58.29 2lfb h GLU 44 Cb 0.56 0.13 -0.08 0.00 -0.16 0.00 0.00 28.75 29.20 2lfb h GLU 44 CO 0.05 -0.38 0.43 0.93 -1.18 0.00 0.00 179.01 178.86 2lfb h GLU 45 N -0.59 0.64 0.86 1.92 5.08 -0.52 0.10 114.58 122.08 2lfb h GLU 45 Ca -0.01 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2lfb h GLU 45 Cb 0.59 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.71 2lfb h GLU 45 CO -0.23 0.42 -0.41 0.00 -1.00 0.00 0.00 179.01 177.80 2lfb h ASN 47 N -1.30 -0.28 0.43 0.00 4.21 -0.04 0.41 115.58 119.02 2lfb h ASN 47 Ca -0.12 0.14 -0.01 0.00 1.21 0.00 0.00 56.30 57.52 2lfb h ASN 47 Cb 0.89 0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 38.32 2lfb h ASN 47 CO 0.19 -0.10 -0.48 -0.09 -1.29 0.00 0.00 177.43 175.66 2lfb h ARG 48 N 0.10 -0.89 -0.14 0.81 2.43 -0.86 0.11 114.38 115.94 2lfb h ARG 48 Ca 0.28 0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.56 2lfb h ARG 48 Cb 0.45 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 2lfb h ARG 48 CO -0.49 -0.60 0.12 0.00 -1.51 0.00 0.00 179.97 177.50 2lfb h ALA 49 N -0.70 1.92 0.07 2.80 0.00 -0.56 -1.94 119.26 120.86 2lfb h ALA 49 Ca -0.05 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.61 2lfb h ALA 49 Cb 0.82 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2lfb h ALA 49 CO -0.09 -0.19 -1.12 1.49 0.00 0.00 0.00 179.25 179.34 2lfb h GLU 50 N 0.00 0.19 -0.84 0.00 4.81 0.85 -3.06 114.58 116.54 2lfb h GLU 50 Ca 0.07 -0.31 0.15 0.00 -0.13 0.00 0.00 59.36 59.13 2lfb h GLU 50 Cb 0.31 0.11 -0.09 0.00 0.63 0.00 0.00 28.75 29.71 2lfb h GLU 50 CO -0.00 1.13 0.42 0.00 -0.73 0.00 0.00 179.01 179.83 2lfb h ILE 52 N 0.60 0.44 -0.76 0.00 2.04 -1.52 0.50 117.51 118.81 2lfb h ILE 52 Ca 0.46 -0.50 0.17 0.00 1.00 0.00 0.00 64.86 65.99 2lfb h ILE 52 Cb 0.65 1.35 -0.14 0.00 -0.74 0.00 0.00 36.82 37.94 2lfb h ILE 52 CO -0.37 0.10 -0.05 1.56 0.00 0.00 0.00 178.15 179.39 2lfb h GLN 53 N 0.00 0.07 0.00 2.37 1.08 -1.15 -3.37 115.11 114.11 2lfb h GLN 53 Ca -0.00 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2lfb h GLN 53 Cb 0.34 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 2lfb h GLN 53 CO 0.01 0.04 -0.76 0.54 -0.95 0.00 0.00 178.83 177.72 2lfb n ARG 54 N -5.39 0.00 0.00 1.46 1.74 -0.88 -5.10 116.66 108.48 2lfb n ARG 54 Ca 0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 2lfb n ARG 54 Cb 0.46 -0.68 0.00 0.00 -1.02 0.00 0.00 32.46 31.23 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 2.87 -0.13 1.38 -0.13 0.00 0.17 -5.15 105.19 104.19 2lfb n GLY 55 Ca 0.00 0.22 0.17 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.01 -2.48 1.61 0.31 -1.25 -4.19 118.33 112.33 2lfb n VAL 56 Ca 0.00 0.45 -0.43 0.00 -0.01 0.00 0.00 64.34 64.36 2lfb n VAL 56 Cb 0.00 -0.90 -0.02 0.00 -0.91 0.00 0.00 33.84 32.01 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 -6.85 7.04 0.21 4.52 0.01 -1.26 -4.95 113.70 112.42 2lfb s SER 57 Ca 0.00 1.73 -0.09 0.00 1.31 0.00 0.00 55.95 58.90 2lfb s SER 57 Cb 0.00 -2.55 0.27 0.00 0.21 0.00 0.00 66.02 63.95 2lfb s SER 57 CO 0.00 -0.63 1.79 1.55 0.41 0.00 0.00 173.24 176.36 2lfb h PRO 58 N 7.66 0.62 -0.54 12.44 0.13 -1.99 0.10 132.00 150.43 2lfb h PRO 58 Ca -0.31 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2lfb h PRO 58 Cb 1.14 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2lfb h PRO 58 CO 0.91 0.41 0.00 -1.13 -0.23 0.00 0.00 178.00 177.96 2lfb n SER 59 N -4.82 1.01 -2.87 1.44 3.41 -1.26 -3.55 113.62 106.97 2lfb n SER 59 Ca 0.09 -2.05 -0.12 0.00 -0.26 0.00 0.00 58.87 56.53 2lfb n SER 59 Cb 0.21 -0.30 0.02 0.00 -0.26 0.00 0.00 64.21 63.88 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 -0.09 1.07 0.16 4.33 7.27 0.36 -4.95 117.38 125.53 2lfb n GLN 60 Ca 0.03 -3.01 0.18 0.00 0.07 0.00 0.00 57.00 54.27 2lfb n GLN 60 Cb 0.22 -1.26 0.79 0.00 2.41 0.00 0.00 30.24 32.40 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 2.89 1.94 -1.46 1.69 0.00 -1.60 0.18 119.26 122.89 2lfb h ALA 61 Ca -0.05 -0.01 0.45 0.00 0.00 0.00 0.00 54.91 55.30 2lfb h ALA 61 Cb 1.11 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.82 2lfb h ALA 61 CO 0.40 -0.40 1.00 1.96 0.00 0.00 0.00 179.25 182.21 2lfb h GLN 62 N 0.00 0.07 -1.03 0.00 1.08 -1.92 -1.06 115.11 112.24 2lfb h GLN 62 Ca 0.12 -0.00 0.26 0.00 -1.45 0.00 0.00 58.65 57.58 2lfb h GLN 62 Cb 0.66 -0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 27.99 2lfb h GLN 62 CO -0.00 0.04 0.68 0.78 -0.95 0.00 0.00 178.83 179.38 2lfb h GLY 63 N 0.07 1.02 -1.42 3.46 0.00 -1.30 -1.14 103.07 103.76 2lfb h GLY 63 Ca 0.80 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.95 2lfb h GLY 63 CO -0.23 -0.10 0.00 1.47 0.00 0.00 0.00 176.54 177.68 2lfb n LEU 64 N -4.56 1.62 -0.07 3.11 -0.00 -0.40 -4.66 117.00 112.04 2lfb n LEU 64 Ca 0.24 -0.81 0.05 0.00 -0.00 0.00 0.00 56.01 55.49 2lfb n LEU 64 Cb 0.89 -0.44 0.09 0.00 -0.00 0.00 0.00 43.42 43.96 2lfb n LEU 64 CO 0.28 0.31 0.20 0.61 -0.00 0.00 0.00 177.39 178.79 2lfb n GLY 65 N 0.27 -0.23 0.16 1.47 0.00 -0.43 0.04 105.19 106.47 2lfb n GLY 65 Ca 0.00 0.20 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 0.53 -0.32 1.61 0.02 -1.89 -3.12 113.55 110.39 2lfb h SER 66 Ca 0.16 -0.53 -0.04 0.00 -0.84 0.00 0.00 61.79 60.54 2lfb h SER 66 Cb 0.37 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 2lfb h SER 66 CO -0.19 0.96 0.05 0.78 -1.14 0.00 0.00 176.83 177.29 2lfb h ASN 67 N 0.13 0.51 -0.68 3.07 -0.26 -0.73 -3.45 115.58 114.16 2lfb h ASN 67 Ca 0.02 -0.27 -0.56 0.00 -0.56 0.00 0.00 56.30 54.93 2lfb h ASN 67 Cb 0.85 -0.14 0.02 0.00 -1.06 0.00 0.00 38.32 37.99 2lfb h ASN 67 CO 0.06 0.65 0.24 -0.11 -1.06 0.00 0.00 177.43 177.21 2lfb n LEU 68 N -4.60 0.37 -4.84 1.61 7.94 0.15 -4.82 117.00 112.81 2lfb n LEU 68 Ca -0.02 0.80 -0.32 0.00 -1.11 0.00 0.00 56.01 55.36 2lfb n LEU 68 Cb 0.22 -0.61 0.01 0.00 0.53 0.00 0.00 43.42 43.57 2lfb n LEU 68 CO 0.38 -0.96 0.71 -0.69 -1.11 0.00 0.00 177.39 175.72 2lfb s VAL 69 N 0.94 4.31 0.18 1.96 1.01 -1.26 -4.98 120.40 122.55 2lfb s VAL 69 Ca 0.66 0.89 -0.03 0.00 0.00 0.00 0.00 61.98 63.50 2lfb s VAL 69 Cb -0.93 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 31.80 2lfb s VAL 69 CO 0.46 -0.85 0.16 0.42 0.00 0.00 0.00 175.10 175.30 2lfb s THR 70 N -2.88 0.04 0.32 3.92 -4.23 -1.26 -5.05 115.64 106.50 2lfb s THR 70 Ca 0.58 -1.83 0.01 0.00 -1.18 0.00 0.00 61.69 59.27 2lfb s THR 70 Cb -0.13 -2.23 0.27 0.00 1.34 0.00 0.00 72.50 71.75 2lfb s THR 70 CO 0.46 -0.19 1.98 -0.33 -0.54 0.00 0.00 174.62 175.99 2lfb h GLU 71 N 2.65 0.96 -0.42 3.99 3.07 -1.99 0.92 114.58 123.76 2lfb h GLU 71 Ca -0.34 -0.06 0.12 0.00 -0.50 0.00 0.00 59.36 58.58 2lfb h GLU 71 Cb 1.23 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 28.91 2lfb h GLU 71 CO 0.53 0.63 0.30 -0.24 -1.40 0.00 0.00 179.01 178.83 2lfb h VAL 72 N 0.99 0.79 0.23 3.13 3.04 -1.98 0.16 116.25 122.61 2lfb h VAL 72 Ca 0.29 -0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.97 2lfb h VAL 72 Cb -0.04 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 30.03 2lfb h VAL 72 CO -0.07 0.00 -0.11 0.03 -1.01 0.00 0.00 177.57 176.41 2lfb h ARG 73 N 0.01 -0.29 -0.34 4.17 2.47 -1.22 0.81 114.38 119.99 2lfb h ARG 73 Ca 0.20 0.02 0.06 0.00 -1.26 0.00 0.00 59.98 59.00 2lfb h ARG 73 Cb 0.79 0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 29.12 2lfb h ARG 73 CO -0.00 -0.17 0.00 0.28 0.56 0.00 0.00 179.97 180.64 2lfb h VAL 74 N -0.34 0.76 -0.11 2.04 2.07 -0.82 0.36 116.25 120.21 2lfb h VAL 74 Ca -0.03 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.50 2lfb h VAL 74 Cb 0.26 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 2lfb h VAL 74 CO 0.05 0.02 -0.37 0.22 0.02 0.00 0.00 177.57 177.51 2lfb h TYR 75 N 0.10 -1.04 -0.14 1.57 3.20 -0.75 -1.62 116.97 118.28 2lfb h TYR 75 Ca 0.16 0.04 0.02 0.00 3.14 0.00 0.00 58.73 62.09 2lfb h TYR 75 Cb 0.22 0.47 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 2lfb h TYR 75 CO -0.24 -0.44 0.03 -0.91 -1.64 0.00 0.00 178.16 174.96 2lfb h ASN 76 N -0.46 0.01 0.30 -2.11 2.35 0.11 0.10 115.58 115.88 2lfb h ASN 76 Ca 0.08 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 2lfb h ASN 76 Cb 0.59 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.99 2lfb h ASN 76 CO -0.36 0.03 -0.14 4.11 -1.65 0.00 0.00 177.43 179.41 2lfb h TRP 77 N 0.09 -0.37 -0.18 1.19 5.08 -0.82 0.17 115.95 121.11 2lfb h TRP 77 Ca 0.06 -0.01 0.01 0.00 1.08 0.00 0.00 58.89 60.04 2lfb h TRP 77 Cb 0.05 0.12 -0.02 0.00 -3.00 0.00 0.00 29.16 26.32 2lfb h TRP 77 CO -0.12 -0.13 0.08 0.74 -1.28 0.00 0.00 178.44 177.73 2lfb h PHE 78 N -0.55 0.14 -0.17 0.12 0.04 -1.18 0.26 116.94 115.61 2lfb h PHE 78 Ca -0.04 0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.79 2lfb h PHE 78 Cb 0.40 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 2lfb h PHE 78 CO -0.02 0.08 0.12 0.00 -0.60 0.00 0.00 178.31 177.89 2lfb h ALA 79 N 1.10 2.15 0.09 2.45 0.00 -0.69 -0.69 119.26 123.67 2lfb h ALA 79 Ca 0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2lfb h ALA 79 Cb 0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2lfb h ALA 79 CO -0.06 -0.21 -0.04 -0.97 0.00 0.00 0.00 179.25 177.97 2lfb h ASN 80 N 0.00 -0.10 0.00 0.00 -1.24 0.79 -2.89 115.58 112.15 2lfb h ASN 80 Ca 0.08 -0.38 0.00 0.00 0.71 0.00 0.00 56.30 56.71 2lfb h ASN 80 Cb 0.32 0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.40 2lfb h ASN 80 CO -0.00 0.35 0.00 0.54 -1.29 0.00 0.00 177.43 177.03 2lfb n ARG 81 N -4.93 0.61 0.00 6.67 1.74 -0.06 -0.96 116.66 119.72 2lfb n ARG 81 Ca -0.09 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 56.99 2lfb n ARG 81 Cb 0.25 -1.20 -0.00 0.00 -1.02 0.00 0.00 32.46 30.49 2lfb n ARG 81 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2lfb n ARG 82 N 0.80 0.03 0.24 5.56 5.12 -0.58 -4.71 116.66 123.12 2lfb n ARG 82 Ca 0.00 0.01 0.12 0.00 -1.93 0.00 0.00 57.85 56.05 2lfb n ARG 82 Cb 0.30 -0.26 0.55 0.00 -1.16 0.00 0.00 32.46 31.89 2lfb n ARG 82 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 2lfb h LYS 83 N -0.05 0.00 0.02 5.56 1.63 -1.23 0.16 116.57 122.66 2lfb h LYS 83 Ca 0.00 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.83 2lfb h LYS 83 Cb 0.05 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.64 2lfb h LYS 83 CO 0.00 0.16 -0.21 1.49 -3.45 0.00 0.00 179.45 177.44 2lfb h GLU 84 N 0.00 -0.33 -0.06 1.90 4.81 -1.32 -0.22 114.58 119.36 2lfb h GLU 84 Ca -0.00 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 2lfb h GLU 84 Cb 0.64 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 2lfb h GLU 84 CO 0.02 -0.22 -0.10 1.49 -0.73 0.00 0.00 179.01 179.47 2lfb h GLU 85 N -0.34 0.17 -0.80 1.92 4.81 -1.06 -0.60 114.58 118.68 2lfb h GLU 85 Ca 0.05 -0.11 0.09 0.00 -0.13 0.00 0.00 59.36 59.27 2lfb h GLU 85 Cb 0.41 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.74 2lfb h GLU 85 CO -0.18 0.68 0.52 0.00 -0.73 0.00 0.00 179.01 179.30 2lfb h ALA 86 N 0.49 1.74 -0.58 2.92 0.00 -0.85 0.25 119.26 123.25 2lfb h ALA 86 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2lfb h ALA 86 Cb 0.67 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2lfb h ALA 86 CO 0.02 0.10 0.00 1.19 0.00 0.00 0.00 179.25 180.56 2lfb n PHE 87 N -4.50 0.00 -0.38 0.00 3.01 -0.10 -3.03 117.46 112.47 2lfb n PHE 87 Ca 0.13 0.00 0.30 0.00 1.01 0.00 0.00 57.45 58.89 2lfb n PHE 87 Cb 0.31 -0.40 0.56 0.00 -0.01 0.00 0.00 39.48 39.94 2lfb n PHE 87 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 2lfb h ARG 88 N 0.00 0.21 -0.34 -1.08 2.43 0.63 0.20 114.38 116.42 2lfb h ARG 88 Ca 0.00 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 2lfb h ARG 88 Cb 0.00 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 2lfb h ARG 88 CO 0.00 0.14 -0.19 1.25 -1.51 0.00 0.00 179.97 179.66 2lfb h HIS 89 N 0.21 0.85 0.00 2.20 2.76 -0.67 -3.19 115.15 117.30 2lfb h HIS 89 Ca 0.75 -0.22 0.00 0.00 -2.20 0.00 0.00 60.37 58.71 2lfb h HIS 89 Cb 2.06 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 30.82 2lfb h HIS 89 CO -0.01 0.94 0.00 -0.22 -1.30 0.00 0.00 177.93 177.35 2lfb h LYS 90 N 0.51 0.00 0.00 5.26 3.11 -0.51 -3.47 116.57 121.47 2lfb h LYS 90 Ca 0.07 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.91 2lfb h LYS 90 Cb 0.73 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.96 2lfb h LYS 90 CO 0.05 0.00 0.00 1.47 -2.81 0.00 0.00 179.45 178.16 2lfb n LEU 91 N -2.90 0.00 -3.49 5.20 -0.00 -1.17 -4.98 117.00 109.67 2lfb n LEU 91 Ca 0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.80 2lfb n LEU 91 Cb 0.28 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 43.78 2lfb n LEU 91 CO 0.25 0.00 0.21 0.00 -0.00 0.00 0.00 177.39 177.85 2lfb n ALA 92 N -3.00 -1.48 -2.31 1.47 0.00 -0.43 -4.84 120.51 109.92 2lfb n ALA 92 Ca 0.00 0.27 -0.02 0.00 0.00 0.00 0.00 53.44 53.69 2lfb n ALA 92 Cb 0.00 -4.58 0.04 0.00 0.00 0.00 0.00 19.45 14.90 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 -4.68 0.55 0.16 0.00 0.00 -1.26 -4.91 117.12 106.98 2lfb n MET 93 Ca -0.07 -0.72 0.00 0.00 0.00 0.00 0.00 57.70 56.90 2lfb n MET 93 Cb 0.59 0.36 0.00 0.00 0.00 0.00 0.00 33.22 34.17 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 -0.62 -2.55 0.00 3.17 -0.08 -1.26 -5.08 116.55 110.12 2lfb n ASP 94 Ca -0.14 0.61 0.00 0.00 -1.51 0.00 0.00 54.79 53.75 2lfb n ASP 94 Cb 0.67 2.51 0.00 0.00 2.34 0.00 0.00 41.12 46.64 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 -3.20 0.00 -3.85 5.18 -1.04 -1.21 -5.13 114.28 105.03 2lfb n THR 95 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 2lfb n THR 95 Cb 0.00 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 2lfb n THR 95 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 2lfb s TYR 96 N 2.51 0.04 0.00 -1.42 -0.85 -1.26 -4.92 117.35 111.44 2lfb s TYR 96 Ca 0.00 -0.43 0.00 0.00 -0.52 0.00 0.00 57.07 56.12 2lfb s TYR 96 Cb 0.00 0.70 0.00 0.00 0.38 0.00 0.00 41.96 43.04 2lfb s TYR 96 CO 0.00 -0.94 0.00 1.17 -1.52 0.00 0.00 175.55 174.26 2lfb n LYS 97 N -0.64 0.00 -1.54 -3.49 4.81 -1.26 -2.17 118.16 113.86 2lfb n LYS 97 Ca -0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.39 2lfb n LYS 97 Cb 0.60 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.67 2lfb n LYS 97 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2lfb n LEU 98 N 0.00 -0.52 0.00 3.14 -0.00 -1.26 -5.06 117.00 113.30 2lfb n LEU 98 Ca 0.00 -1.52 0.00 0.00 -0.00 0.00 0.00 56.01 54.49 2lfb n LEU 98 Cb 0.00 0.43 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 2lfb n LEU 98 CO 0.00 1.16 0.00 -3.20 -0.00 0.00 0.00 177.39 175.35