#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 -0.63 -5.12 0.00 -1.26 -4.90 120.51 108.60 2lfb n ALA 1 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 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 2.89 0.00 0.00 0.00 177.50 180.39 2lfb n ARG 2 N 0.00 -1.55 -3.56 0.00 1.85 -1.26 -4.91 116.66 107.23 2lfb n ARG 2 Ca 0.00 1.24 -0.37 0.00 -1.00 0.00 0.00 57.85 57.72 2lfb n ARG 2 Cb 0.00 -1.68 -0.09 0.00 -1.05 0.00 0.00 32.46 29.65 2lfb n ARG 2 CO 0.00 0.00 0.00 0.96 -0.01 0.00 0.00 177.63 178.58 2lfb s ILE 3 N -3.95 5.30 0.06 8.89 -5.25 -1.26 -5.10 121.20 119.89 2lfb s ILE 3 Ca 0.00 0.39 0.03 0.00 -0.99 0.00 0.00 60.65 60.08 2lfb s ILE 3 Cb 0.00 -3.59 -0.03 0.00 2.95 0.00 0.00 42.46 41.80 2lfb s ILE 3 CO 0.00 0.32 -0.10 -0.62 -1.79 0.00 0.00 174.94 172.76 2lfb s ASP 4 N 0.97 1.14 0.23 4.36 2.15 -1.26 -5.12 116.67 119.14 2lfb s ASP 4 Ca 0.12 -0.62 -0.31 0.00 0.43 0.00 0.00 52.55 52.17 2lfb s ASP 4 Cb -0.14 0.02 -0.10 0.00 -0.30 0.00 0.00 42.92 42.39 2lfb s ASP 4 CO 0.05 -0.19 1.53 -2.16 -0.17 0.00 0.00 175.17 174.22 2lfb s PRO 5 N -1.89 4.21 -0.01 4.34 0.04 -1.26 -4.94 135.00 135.50 2lfb s PRO 5 Ca -0.05 2.39 -0.19 0.00 0.04 0.00 0.00 61.00 63.20 2lfb s PRO 5 Cb -0.08 -3.10 -0.10 0.00 0.04 0.00 0.00 34.50 31.25 2lfb s PRO 5 CO 0.01 -0.54 0.84 1.79 0.04 0.00 0.00 177.00 179.13 2lfb h THR 6 N 3.67 0.00 0.00 1.26 1.35 -2.05 -3.48 112.91 113.66 2lfb h THR 6 Ca -0.45 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 2lfb h THR 6 Cb 1.21 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 2lfb h THR 6 CO 0.83 0.00 0.00 1.17 -0.25 0.00 0.00 175.52 177.27 2lfb n LYS 7 N -4.92 0.00 0.00 4.72 3.00 -1.26 -5.17 118.16 114.54 2lfb n LYS 7 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 2lfb n LYS 7 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.30 2lfb n LYS 7 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2lfb n LYS 8 N -1.81 0.00 0.00 1.64 5.02 -1.26 -5.17 118.16 116.58 2lfb n LYS 8 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2lfb n LYS 8 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 -0.69 0.10 2.61 0.72 0.00 -1.26 -5.04 105.19 101.64 2lfb n GLY 9 Ca 0.00 0.50 -0.41 0.00 0.00 0.00 0.00 46.02 46.12 2lfb n GLY 9 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2lfb n ARG 10 N 0.00 4.91 -1.64 1.61 3.00 -1.26 -4.99 116.66 118.29 2lfb n ARG 10 Ca 0.00 -4.07 -0.41 0.00 -0.00 0.00 0.00 57.85 53.37 2lfb n ARG 10 Cb 0.00 -2.57 0.02 0.00 0.00 0.00 0.00 32.46 29.91 2lfb n ARG 10 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2lfb n ARG 11 N 1.03 1.50 -0.05 -0.14 3.00 -1.26 -4.94 116.66 115.81 2lfb n ARG 11 Ca 0.52 0.54 -0.14 0.00 -0.00 0.00 0.00 57.85 58.76 2lfb n ARG 11 Cb 0.26 -2.17 -0.13 0.00 0.00 0.00 0.00 32.46 30.43 2lfb n ARG 11 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.63 174.68 2lfb h ASN 12 N 1.63 0.05 -0.86 6.15 7.08 -2.01 -3.33 115.58 124.30 2lfb h ASN 12 Ca -0.46 -0.94 0.02 0.00 -3.08 0.00 0.00 56.30 51.84 2lfb h ASN 12 Cb 1.33 -0.02 -0.05 0.00 -2.08 0.00 0.00 38.32 37.50 2lfb h ASN 12 CO 0.57 0.99 0.56 0.08 -2.08 0.00 0.00 177.43 177.55 2lfb h ARG 13 N -0.87 1.08 -6.59 4.14 0.11 -1.92 -3.39 114.38 106.94 2lfb h ARG 13 Ca -0.01 -0.07 -0.53 0.00 0.10 0.00 0.00 59.98 59.48 2lfb h ARG 13 Cb 1.01 -0.24 0.04 0.00 1.11 0.00 0.00 29.97 31.89 2lfb h ARG 13 CO 0.02 0.72 0.92 0.12 0.10 0.00 0.00 179.97 181.84 2lfb s PHE 14 N -6.11 2.93 0.25 4.08 2.19 -1.25 -4.59 117.98 115.47 2lfb s PHE 14 Ca -0.13 0.54 0.12 0.00 0.33 0.00 0.00 56.93 57.78 2lfb s PHE 14 Cb 0.17 -3.96 -0.05 0.00 -1.31 0.00 0.00 43.02 37.87 2lfb s PHE 14 CO 0.79 -3.61 -0.21 -1.59 1.83 0.00 0.00 175.22 172.43 2lfb s LYS 15 N 1.41 1.60 0.00 10.12 -2.85 -1.26 -4.78 119.74 123.98 2lfb s LYS 15 Ca 0.71 -1.68 0.00 0.00 -1.00 0.00 0.00 55.97 54.00 2lfb s LYS 15 Cb -0.44 -1.74 0.00 0.00 -2.06 0.00 0.00 37.83 33.59 2lfb s LYS 15 CO 0.32 0.34 0.00 0.91 0.10 0.00 0.00 175.35 177.02 2lfb n TRP 16 N -0.33 0.00 0.00 1.78 7.02 -1.26 -4.92 117.44 119.73 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 0.59 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.48 2lfb n TRP 16 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2lfb n GLY 17 N 3.58 1.21 0.08 6.99 0.00 -1.26 -4.91 105.19 110.88 2lfb n GLY 17 Ca 0.00 -1.40 -0.13 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.07 -0.29 1.61 0.13 -1.99 0.99 132.00 132.38 2lfb h PRO 18 Ca 0.00 0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 2lfb h PRO 18 Cb 0.00 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.14 2lfb h PRO 18 CO 0.00 0.29 0.05 0.00 -0.23 0.00 0.00 178.00 178.10 2lfb h ALA 19 N 0.46 0.38 -0.96 -0.56 0.00 -1.95 -1.88 119.26 114.75 2lfb h ALA 19 Ca -0.01 -0.19 0.27 0.00 0.00 0.00 0.00 54.91 54.98 2lfb h ALA 19 Cb 0.40 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 17.94 2lfb h ALA 19 CO 0.01 0.07 0.48 0.77 0.00 0.00 0.00 179.25 180.58 2lfb h SER 20 N 0.30 0.42 -0.09 0.00 0.02 -1.87 0.90 113.55 113.22 2lfb h SER 20 Ca 0.09 0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2lfb h SER 20 Cb 0.34 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 2lfb h SER 20 CO 0.01 -0.06 0.05 1.56 -1.14 0.00 0.00 176.83 177.25 2lfb h GLN 21 N 0.37 0.13 -0.53 3.45 1.08 0.06 -0.16 115.11 119.51 2lfb h GLN 21 Ca 0.65 -0.01 0.11 0.00 -1.45 0.00 0.00 58.65 57.94 2lfb h GLN 21 Cb 1.35 -0.03 -0.09 0.00 -0.05 0.00 0.00 27.48 28.66 2lfb h GLN 21 CO -0.57 0.16 -0.05 0.37 -0.95 0.00 0.00 178.83 177.79 2lfb h GLN 22 N 0.06 0.07 -0.18 1.46 4.15 -0.88 -0.45 115.11 119.34 2lfb h GLN 22 Ca 0.03 -0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.50 2lfb h GLN 22 Cb 0.07 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.68 2lfb h GLN 22 CO -0.01 0.04 -0.22 0.82 -1.93 0.00 0.00 178.83 177.53 2lfb h ILE 23 N 0.07 0.44 -0.19 2.39 1.08 -0.26 0.14 117.51 121.18 2lfb h ILE 23 Ca 0.27 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.76 2lfb h ILE 23 Cb 0.41 0.44 -0.03 0.00 -3.07 0.00 0.00 36.82 34.58 2lfb h ILE 23 CO -0.49 0.00 0.02 -0.07 -0.69 0.00 0.00 178.15 176.92 2lfb h LEU 24 N -0.26 -0.03 -0.35 1.44 3.38 -0.33 -0.50 115.31 118.66 2lfb h LEU 24 Ca 0.12 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.16 2lfb h LEU 24 Cb 0.43 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 2lfb h LEU 24 CO -0.33 0.01 0.11 -0.26 0.09 0.00 0.00 178.44 178.07 2lfb h PHE 25 N 0.09 0.20 0.00 1.13 0.04 -0.54 -1.46 116.94 116.40 2lfb h PHE 25 Ca 0.09 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.87 2lfb h PHE 25 Cb 0.09 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.21 2lfb h PHE 25 CO -0.15 0.08 0.00 0.00 -0.60 0.00 0.00 178.31 177.63 2lfb n GLN 26 N -5.03 0.88 -0.08 1.51 10.64 0.45 -0.50 117.38 125.25 2lfb n GLN 26 Ca 0.01 0.00 -0.20 0.00 -1.83 0.00 0.00 57.00 54.98 2lfb n GLN 26 Cb 0.13 -1.20 -0.12 0.00 -0.86 0.00 0.00 30.24 28.18 2lfb n GLN 26 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2lfb h ALA 27 N 3.17 0.21 -1.01 2.61 0.00 -0.09 -3.37 119.26 120.78 2lfb h ALA 27 Ca 0.00 -1.06 0.24 0.00 0.00 0.00 0.00 54.91 54.09 2lfb h ALA 27 Cb 0.00 0.55 -0.11 0.00 0.00 0.00 0.00 17.79 18.24 2lfb h ALA 27 CO 0.00 0.61 0.62 -0.92 0.00 0.00 0.00 179.25 179.56 2lfb h TYR 28 N -0.85 0.90 -0.34 0.00 3.20 -0.41 0.21 116.97 119.69 2lfb h TYR 28 Ca -0.28 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.69 2lfb h TYR 28 Cb 1.35 -0.26 -0.07 0.00 1.54 0.00 0.00 36.73 39.28 2lfb h TYR 28 CO 0.14 0.10 -0.11 1.05 -1.64 0.00 0.00 178.16 177.70 2lfb h GLU 29 N 0.56 -0.03 0.00 1.82 4.11 -0.96 -3.33 114.58 116.74 2lfb h GLU 29 Ca 0.61 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.04 2lfb h GLU 29 Cb 1.24 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2lfb h GLU 29 CO -0.39 -0.02 0.00 0.54 0.07 0.00 0.00 179.01 179.21 2lfb n ARG 30 N -5.30 0.00 -4.68 1.06 1.74 -0.10 -4.95 116.66 104.43 2lfb n ARG 30 Ca 0.01 0.19 -0.24 0.00 -0.77 0.00 0.00 57.85 57.05 2lfb n ARG 30 Cb 0.21 -0.81 -0.16 0.00 -1.02 0.00 0.00 32.46 30.69 2lfb n ARG 30 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2lfb s GLN 31 N -0.70 1.40 0.00 5.56 0.74 -0.27 -5.02 119.66 121.38 2lfb s GLN 31 Ca 0.00 -0.51 0.11 0.00 0.05 0.00 0.00 55.36 55.01 2lfb s GLN 31 Cb 0.00 -1.27 0.01 0.00 1.10 0.00 0.00 33.01 32.84 2lfb s GLN 31 CO 0.00 0.23 0.68 1.63 -0.55 0.00 0.00 175.29 177.28 2lfb n LYS 32 N 3.05 1.87 -3.89 1.67 4.01 -1.26 -4.17 118.16 119.44 2lfb n LYS 32 Ca -0.17 -0.69 -0.30 0.00 -0.51 0.00 0.00 58.31 56.64 2lfb n LYS 32 Cb 0.54 -1.12 -0.15 0.00 -0.51 0.00 0.00 35.03 33.79 2lfb n LYS 32 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 2lfb s ASN 33 N -1.36 4.15 -0.65 4.39 0.02 -1.26 -5.08 114.94 115.15 2lfb s ASN 33 Ca 0.09 -1.61 -0.27 0.00 -1.02 0.00 0.00 52.86 50.05 2lfb s ASN 33 Cb 0.09 -1.18 0.00 0.00 0.02 0.00 0.00 41.25 40.18 2lfb s ASN 33 CO 0.25 -0.34 1.59 -2.16 0.02 0.00 0.00 177.10 176.46 2lfb s PRO 34 N 1.34 2.94 0.00 -0.60 0.04 -1.26 -4.88 135.00 132.58 2lfb s PRO 34 Ca 0.05 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.37 2lfb s PRO 34 Cb -0.18 -4.27 0.00 0.00 0.04 0.00 0.00 34.50 30.08 2lfb s PRO 34 CO -0.13 -2.40 0.00 0.43 0.04 0.00 0.00 177.00 174.94 2lfb n SER 35 N 11.04 0.00 0.00 6.66 7.64 -1.26 -4.98 113.62 132.71 2lfb n SER 35 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.01 2lfb n SER 35 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 2lfb n SER 35 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2lfb n LYS 36 N -0.15 0.00 -0.34 1.43 2.85 -1.26 -4.94 118.16 115.74 2lfb n LYS 36 Ca 0.00 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.17 2lfb n LYS 36 Cb 0.00 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.30 2lfb n LYS 36 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2lfb n GLU 37 N 0.00 -0.36 0.00 -1.58 4.71 -1.26 -0.13 120.64 122.02 2lfb n GLU 37 Ca 0.00 1.25 0.00 0.00 -0.01 0.00 0.00 57.16 58.40 2lfb n GLU 37 Cb 0.00 -1.83 0.00 0.00 -1.01 0.00 0.00 31.44 28.60 2lfb n GLU 37 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 2lfb n GLU 38 N -5.01 0.00 -0.04 3.49 0.00 -1.26 0.13 120.64 117.95 2lfb n GLU 38 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 57.16 57.03 2lfb n GLU 38 Cb 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 31.57 2lfb n GLU 38 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2lfb h ARG 39 N 0.00 0.35 0.07 5.31 2.43 -0.89 0.21 114.38 121.85 2lfb h ARG 39 Ca 0.00 -0.25 -0.00 0.00 -0.81 0.00 0.00 59.98 58.92 2lfb h ARG 39 Cb 0.00 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2lfb h ARG 39 CO 0.00 0.86 -0.03 0.93 -1.51 0.00 0.00 179.97 180.22 2lfb h GLU 40 N -0.11 -0.08 -0.64 0.20 5.08 -0.82 0.53 114.58 118.74 2lfb h GLU 40 Ca -0.01 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 2lfb h GLU 40 Cb 0.88 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 30.04 2lfb h GLU 40 CO 0.06 -0.05 -0.50 1.15 -1.00 0.00 0.00 179.01 178.66 2lfb h THR 41 N -0.09 0.04 -0.47 1.13 2.02 -0.36 -2.74 112.91 112.43 2lfb h THR 41 Ca -0.01 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 2lfb h THR 41 Cb 0.07 0.04 -0.07 0.00 -1.74 0.00 0.00 68.15 66.45 2lfb h THR 41 CO 0.01 0.00 0.05 0.25 0.37 0.00 0.00 175.52 176.21 2lfb h LEU 42 N -0.22 -0.09 -0.33 2.58 6.46 0.12 0.30 115.31 124.14 2lfb h LEU 42 Ca 0.15 0.10 0.05 0.00 -0.12 0.00 0.00 57.88 58.06 2lfb h LEU 42 Cb 0.55 0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 40.58 2lfb h LEU 42 CO -0.73 -0.01 0.04 0.58 -0.62 0.00 0.00 178.44 177.70 2lfb h VAL 43 N 0.17 0.81 0.41 1.05 2.07 -0.84 0.11 116.25 120.04 2lfb h VAL 43 Ca 0.24 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.69 2lfb h VAL 43 Cb 0.33 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2lfb h VAL 43 CO -0.34 0.03 -0.23 -0.08 0.02 0.00 0.00 177.57 176.96 2lfb h GLU 44 N 0.15 -0.57 -0.77 1.57 4.57 -0.52 0.12 114.58 119.12 2lfb h GLU 44 Ca 0.16 0.04 0.14 0.00 -1.18 0.00 0.00 59.36 58.52 2lfb h GLU 44 Cb 0.19 0.13 -0.14 0.00 -0.16 0.00 0.00 28.75 28.77 2lfb h GLU 44 CO -0.23 -0.38 -0.23 -1.91 -1.18 0.00 0.00 179.01 175.08 2lfb n GLU 45 N -3.74 -0.11 0.08 1.92 2.13 0.78 -0.44 120.64 121.26 2lfb n GLU 45 Ca -0.07 1.20 -0.13 0.00 0.66 0.00 0.00 57.16 58.81 2lfb n GLU 45 Cb 0.24 -1.78 -0.08 0.00 0.27 0.00 0.00 31.44 30.08 2lfb n GLU 45 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2lfb h ASN 47 N -0.47 0.68 0.26 0.00 2.35 0.20 0.31 115.58 118.91 2lfb h ASN 47 Ca -0.02 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2lfb h ASN 47 Cb 0.37 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 2lfb h ASN 47 CO 0.03 0.38 -0.46 0.03 -1.65 0.00 0.00 177.43 175.76 2lfb h ARG 48 N 0.79 -0.74 -0.06 0.81 3.08 -0.67 0.17 114.38 117.76 2lfb h ARG 48 Ca 0.41 0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.53 2lfb h ARG 48 Cb 0.39 0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 2lfb h ARG 48 CO -0.26 -0.49 0.05 0.00 -1.07 0.00 0.00 179.97 178.21 2lfb h ALA 49 N -0.82 1.83 0.05 0.04 0.00 -0.14 -2.34 119.26 117.89 2lfb h ALA 49 Ca -0.03 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2lfb h ALA 49 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2lfb h ALA 49 CO -0.17 -0.09 -0.59 1.49 0.00 0.00 0.00 179.25 179.90 2lfb h GLU 50 N 0.00 0.11 -0.31 0.00 4.57 -0.04 -3.29 114.58 115.61 2lfb h GLU 50 Ca 0.03 -0.19 0.04 0.00 -1.18 0.00 0.00 59.36 58.06 2lfb h GLU 50 Cb 0.14 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 2lfb h GLU 50 CO -0.00 1.09 0.21 0.00 -1.18 0.00 0.00 179.01 179.14 2lfb h ILE 52 N 0.26 1.24 -0.01 0.00 2.04 -1.54 0.11 117.51 119.61 2lfb h ILE 52 Ca 0.13 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.19 2lfb h ILE 52 Cb 0.21 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2lfb h ILE 52 CO -0.03 0.31 0.03 1.56 0.00 0.00 0.00 178.15 180.03 2lfb h GLN 53 N 0.93 0.00 -0.04 2.37 4.20 -1.19 -1.52 115.11 119.86 2lfb h GLN 53 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2lfb h GLN 53 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2lfb h GLN 53 CO -0.01 0.00 0.00 0.54 -0.67 0.00 0.00 178.83 178.69 2lfb n ARG 54 N -3.37 0.70 -3.40 1.46 5.12 -0.27 -4.99 116.66 111.91 2lfb n ARG 54 Ca -0.03 -1.22 -0.25 0.00 -1.93 0.00 0.00 57.85 54.43 2lfb n ARG 54 Cb 0.10 -1.21 0.01 0.00 -1.16 0.00 0.00 32.46 30.20 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 0.60 -0.50 3.82 -0.13 0.00 0.22 -4.97 105.19 104.24 2lfb n GLY 55 Ca 0.07 0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.06 4.44 0.33 1.61 1.01 -0.34 -5.01 120.40 119.39 2lfb s VAL 56 Ca 0.43 1.40 -0.29 0.00 0.00 0.00 0.00 61.98 63.52 2lfb s VAL 56 Cb -0.22 -3.66 -0.12 0.00 0.00 0.00 0.00 36.38 32.38 2lfb s VAL 56 CO 0.53 -0.21 1.47 -1.20 0.00 0.00 0.00 175.10 175.70 2lfb n SER 57 N -0.38 3.51 -0.09 3.32 7.64 -1.26 -4.66 113.62 121.70 2lfb n SER 57 Ca 0.05 1.19 -0.08 0.00 1.01 0.00 0.00 58.87 61.05 2lfb n SER 57 Cb 0.53 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 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 3.55 0.31 0.00 1.43 0.13 -1.96 0.98 132.00 136.45 2lfb h PRO 58 Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2lfb h PRO 58 Cb 1.25 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2lfb h PRO 58 CO 0.69 0.21 0.00 -1.13 -0.23 0.00 0.00 178.00 177.54 2lfb n SER 59 N -4.96 0.00 -2.70 1.44 3.41 -1.26 -1.08 113.62 108.47 2lfb n SER 59 Ca -0.00 -0.65 -0.01 0.00 -0.26 0.00 0.00 58.87 57.95 2lfb n SER 59 Cb 0.08 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.11 2lfb n SER 59 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2lfb n GLN 60 N -0.59 1.51 0.24 4.33 -0.06 0.18 -4.95 117.38 118.04 2lfb n GLN 60 Ca 0.02 -2.55 0.14 0.00 -2.00 0.00 0.00 57.00 52.60 2lfb n GLN 60 Cb 0.01 -0.76 0.81 0.00 -4.06 0.00 0.00 30.24 26.24 2lfb n GLN 60 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2lfb h ALA 61 N 1.91 1.79 0.00 1.69 0.00 0.53 0.16 119.26 125.34 2lfb h ALA 61 Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2lfb h ALA 61 Cb 1.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2lfb h ALA 61 CO 0.03 -0.14 0.00 -0.56 0.00 0.00 0.00 179.25 178.58 2lfb h GLN 62 N 0.00 0.00 -0.06 0.00 -0.00 -1.86 -2.77 115.11 110.42 2lfb h GLN 62 Ca 0.04 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.71 2lfb h GLN 62 Cb 0.22 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.70 2lfb h GLN 62 CO -0.00 0.00 0.51 0.78 -0.00 0.00 0.00 178.83 180.12 2lfb h GLY 63 N 2.07 0.00 -0.41 0.06 0.00 -1.04 -1.56 103.07 102.20 2lfb h GLY 63 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.47 2lfb h GLY 63 CO 0.00 0.00 0.10 1.04 0.00 0.00 0.00 176.54 177.68 2lfb n LEU 64 N -2.88 0.04 0.00 3.11 4.77 -1.04 -4.61 117.00 116.38 2lfb n LEU 64 Ca -0.00 0.69 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 2lfb n LEU 64 Cb 0.57 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2lfb n LEU 64 CO 0.12 -0.73 0.00 0.61 -1.33 0.00 0.00 177.39 176.06 2lfb n GLY 65 N -1.16 0.24 0.38 -0.72 0.00 -0.59 -2.30 105.19 101.04 2lfb n GLY 65 Ca 0.12 0.58 -0.03 0.00 0.00 0.00 0.00 46.02 46.70 2lfb n GLY 65 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2lfb n SER 66 N 1.78 -0.71 -1.92 1.61 7.64 -1.26 -1.57 113.62 119.19 2lfb n SER 66 Ca 0.00 1.70 -0.23 0.00 1.01 0.00 0.00 58.87 61.35 2lfb n SER 66 Cb 0.00 -0.36 0.06 0.00 -1.01 0.00 0.00 64.21 62.90 2lfb n SER 66 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2lfb n ASN 67 N -5.38 5.06 -4.63 6.43 2.04 -0.97 -4.21 115.26 113.58 2lfb n ASN 67 Ca 0.08 -3.77 -0.43 0.00 -0.44 0.00 0.00 54.58 50.03 2lfb n ASN 67 Cb 0.36 -0.51 -0.03 0.00 -2.53 0.00 0.00 39.78 37.08 2lfb n ASN 67 CO 0.00 0.00 0.00 -0.22 -0.44 0.00 0.00 177.26 176.60 2lfb s LEU 68 N -3.59 3.95 -0.85 -4.53 2.96 -0.61 -4.80 118.68 111.21 2lfb s LEU 68 Ca 0.52 2.02 -0.25 0.00 -0.22 0.00 0.00 54.13 56.21 2lfb s LEU 68 Cb 0.43 -3.53 -0.09 0.00 0.50 0.00 0.00 46.19 43.51 2lfb s LEU 68 CO 0.02 -1.38 2.14 -0.69 -1.32 0.00 0.00 176.35 175.12 2lfb s VAL 69 N 5.79 3.26 0.45 1.68 1.01 -1.26 -4.95 120.40 126.39 2lfb s VAL 69 Ca 0.84 -0.21 -0.08 0.00 0.00 0.00 0.00 61.98 62.53 2lfb s VAL 69 Cb -0.33 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 2lfb s VAL 69 CO 0.34 -0.55 0.79 0.42 0.00 0.00 0.00 175.10 176.10 2lfb s THR 70 N 12.07 4.84 0.17 3.92 -4.23 -1.26 -4.89 115.64 126.27 2lfb s THR 70 Ca 0.80 0.42 -0.21 0.00 -1.18 0.00 0.00 61.69 61.52 2lfb s THR 70 Cb -0.09 -3.80 0.08 0.00 1.34 0.00 0.00 72.50 70.02 2lfb s THR 70 CO 0.03 -0.71 1.38 1.21 -0.54 0.00 0.00 174.62 175.99 2lfb n GLU 71 N -1.83 -0.30 0.03 3.99 0.00 -1.26 -0.74 120.64 120.54 2lfb n GLU 71 Ca 0.02 1.36 0.22 0.00 0.00 0.00 0.00 57.16 58.75 2lfb n GLU 71 Cb 0.54 -2.01 0.73 0.00 0.00 0.00 0.00 31.44 30.71 2lfb n GLU 71 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 2lfb h VAL 72 N 0.00 0.48 0.14 6.31 3.04 -1.98 0.32 116.25 124.56 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 0.45 0.65 0.00 0.00 -2.01 0.00 0.00 31.29 30.39 2lfb h VAL 72 CO -0.86 0.00 -0.07 0.03 -1.01 0.00 0.00 177.57 175.66 2lfb h ARG 73 N 0.00 -0.19 -0.43 4.17 2.47 -1.32 0.11 114.38 119.19 2lfb h ARG 73 Ca 0.24 0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 58.91 2lfb h ARG 73 Cb 1.15 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.50 2lfb h ARG 73 CO -0.00 0.06 0.05 -0.24 0.56 0.00 0.00 179.97 180.40 2lfb h VAL 74 N -0.42 1.25 -0.54 2.04 3.04 -0.48 -0.16 116.25 120.98 2lfb h VAL 74 Ca -0.02 -0.94 0.11 0.00 -1.01 0.00 0.00 66.70 64.84 2lfb h VAL 74 Cb 0.33 1.02 -0.10 0.00 -2.01 0.00 0.00 31.29 30.54 2lfb h VAL 74 CO 0.03 0.32 -0.06 0.22 -1.01 0.00 0.00 177.57 177.07 2lfb h TYR 75 N 0.58 -0.16 0.24 3.17 3.20 -1.06 -1.55 116.97 121.39 2lfb h TYR 75 Ca 0.13 0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.05 2lfb h TYR 75 Cb 0.42 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.80 2lfb h TYR 75 CO 0.03 -0.18 -0.42 -0.91 -1.64 0.00 0.00 178.16 175.04 2lfb h ASN 76 N 0.06 -1.21 -0.33 -2.11 2.35 0.08 -0.70 115.58 113.72 2lfb h ASN 76 Ca 0.27 0.12 0.01 0.00 -0.55 0.00 0.00 56.30 56.15 2lfb h ASN 76 Cb 0.42 0.43 -0.02 0.00 0.05 0.00 0.00 38.32 39.20 2lfb h ASN 76 CO -0.50 -0.53 0.19 4.11 -1.65 0.00 0.00 177.43 179.05 2lfb h TRP 77 N -0.74 0.35 -0.62 1.19 5.08 -0.08 0.82 115.95 121.95 2lfb h TRP 77 Ca -0.00 0.01 0.01 0.00 1.08 0.00 0.00 58.89 59.99 2lfb h TRP 77 Cb 0.72 -0.11 -0.03 0.00 -3.00 0.00 0.00 29.16 26.73 2lfb h TRP 77 CO -0.31 0.20 0.40 0.74 -1.28 0.00 0.00 178.44 178.20 2lfb h PHE 78 N 0.39 0.77 0.00 0.12 0.04 -1.40 0.20 116.94 117.05 2lfb h PHE 78 Ca 0.13 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.92 2lfb h PHE 78 Cb 0.01 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 37.90 2lfb h PHE 78 CO -0.08 0.48 0.00 0.00 -0.60 0.00 0.00 178.31 178.11 2lfb n ALA 79 N -2.27 1.84 -0.02 2.45 0.00 -0.27 -1.29 120.51 120.95 2lfb n ALA 79 Ca 0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 53.44 53.41 2lfb n ALA 79 Cb 0.03 -1.25 -0.00 0.00 0.00 0.00 0.00 19.45 18.22 2lfb n ALA 79 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2lfb h ASN 80 N 0.00 -0.02 -0.78 0.00 -0.26 0.25 -3.29 115.58 111.47 2lfb h ASN 80 Ca 0.00 0.00 0.14 0.00 -0.56 0.00 0.00 56.30 55.88 2lfb h ASN 80 Cb 0.17 0.01 -0.14 0.00 -1.06 0.00 0.00 38.32 37.29 2lfb h ASN 80 CO 0.00 0.27 -0.29 0.03 -1.06 0.00 0.00 177.43 176.38 2lfb h ARG 81 N -0.59 -0.05 0.00 0.81 2.47 -0.42 0.49 114.38 117.08 2lfb h ARG 81 Ca -0.00 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.65 2lfb h ARG 81 Cb 0.02 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 2lfb h ARG 81 CO 0.00 -0.04 -0.35 0.07 0.56 0.00 0.00 179.97 180.22 2lfb h ARG 82 N -0.06 0.00 -0.00 0.04 0.11 -1.41 -2.71 114.38 110.36 2lfb h ARG 82 Ca 0.33 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 60.18 2lfb h ARG 82 Cb 0.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.67 2lfb h ARG 82 CO -0.82 0.35 -0.94 -0.22 0.10 0.00 0.00 179.97 178.44 2lfb h LYS 83 N 0.00 0.41 -0.52 0.08 3.11 -0.31 -0.28 116.57 119.06 2lfb h LYS 83 Ca -0.00 -0.44 0.12 0.00 -2.81 0.00 0.00 60.65 57.51 2lfb h LYS 83 Cb 0.85 0.13 -0.03 0.00 -1.00 0.00 0.00 32.23 32.18 2lfb h LYS 83 CO 0.05 1.11 0.36 1.49 -2.81 0.00 0.00 179.45 179.64 2lfb h GLU 84 N 0.23 0.17 0.20 1.90 4.57 -0.23 0.15 114.58 121.56 2lfb h GLU 84 Ca -0.08 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 2lfb h GLU 84 Cb 1.57 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 30.13 2lfb h GLU 84 CO 0.16 0.11 -0.10 1.49 -1.18 0.00 0.00 179.01 179.50 2lfb h GLU 85 N 0.17 -0.26 -0.98 1.92 4.57 -1.42 -3.40 114.58 115.19 2lfb h GLU 85 Ca 0.25 0.02 0.18 0.00 -1.18 0.00 0.00 59.36 58.63 2lfb h GLU 85 Cb 0.74 0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 29.30 2lfb h GLU 85 CO -0.04 -0.17 0.61 0.00 -1.18 0.00 0.00 179.01 178.23 2lfb h ALA 86 N -1.49 1.78 0.40 2.92 0.00 0.10 0.21 119.26 123.18 2lfb h ALA 86 Ca -0.03 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2lfb h ALA 86 Cb 0.21 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2lfb h ALA 86 CO 0.05 -0.11 -0.27 0.35 0.00 0.00 0.00 179.25 179.27 2lfb h PHE 87 N 0.72 -0.73 -0.26 0.00 3.57 -1.03 -2.68 116.94 116.53 2lfb h PHE 87 Ca 0.54 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.97 2lfb h PHE 87 Cb 0.89 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 2lfb h PHE 87 CO -0.00 -0.39 -0.09 -0.09 -2.23 0.00 0.00 178.31 175.50 2lfb h ARG 88 N -0.63 0.42 -0.08 1.11 1.12 -1.28 -0.82 114.38 114.21 2lfb h ARG 88 Ca -0.05 -0.10 0.02 0.00 -1.11 0.00 0.00 59.98 58.74 2lfb h ARG 88 Cb 0.52 -0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 30.42 2lfb h ARG 88 CO 0.04 0.52 0.09 1.25 -3.11 0.00 0.00 179.97 178.76 2lfb h HIS 89 N 0.40 0.00 0.01 2.20 2.76 -0.60 0.21 115.15 120.12 2lfb h HIS 89 Ca 0.08 0.00 -0.40 0.00 -2.20 0.00 0.00 60.37 57.85 2lfb h HIS 89 Cb 0.41 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.31 2lfb h HIS 89 CO 0.01 0.00 -2.27 1.17 -1.30 0.00 0.00 177.93 175.54 2lfb n LYS 90 N -3.85 0.62 0.01 5.26 0.00 -0.42 -4.69 118.16 115.10 2lfb n LYS 90 Ca -0.01 0.28 -0.11 0.00 0.00 0.00 0.00 58.31 58.47 2lfb n LYS 90 Cb 0.19 -1.56 -0.09 0.00 0.00 0.00 0.00 35.03 33.57 2lfb n LYS 90 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2lfb h LEU 91 N -0.60 -0.10 2.42 3.14 4.07 -1.15 -3.48 115.31 119.60 2lfb h LEU 91 Ca -0.58 -0.50 -0.42 0.00 0.08 0.00 0.00 57.88 56.46 2lfb h LEU 91 Cb 1.69 0.03 -0.06 0.00 1.08 0.00 0.00 40.66 43.40 2lfb h LEU 91 CO -0.24 0.53 -0.49 0.00 -1.08 0.00 0.00 178.44 177.15 2lfb n ALA 92 N -2.53 -0.53 -1.84 1.53 0.00 0.72 -4.78 120.51 113.07 2lfb n ALA 92 Ca -0.08 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2lfb n ALA 92 Cb 0.29 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.59 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 -2.83 0.00 -2.66 0.00 2.81 -1.26 -4.98 117.12 108.19 2lfb n MET 93 Ca -0.24 -0.68 -0.10 0.00 -1.81 0.00 0.00 57.70 54.87 2lfb n MET 93 Cb 0.69 -0.38 0.03 0.00 -0.71 0.00 0.00 33.22 32.84 2lfb n MET 93 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2lfb n ASP 94 N 0.00 1.64 -0.21 7.83 5.75 -1.26 -4.87 116.55 125.43 2lfb n ASP 94 Ca 0.00 -2.79 -0.08 0.00 -0.01 0.00 0.00 54.79 51.92 2lfb n ASP 94 Cb 0.62 -0.53 0.02 0.00 -1.03 0.00 0.00 41.12 40.21 2lfb n ASP 94 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 2lfb h THR 95 N 2.91 1.23 -2.21 2.12 2.02 -1.93 -3.31 112.91 113.74 2lfb h THR 95 Ca -0.07 -0.77 -0.47 0.00 0.77 0.00 0.00 66.41 65.87 2lfb h THR 95 Cb 1.16 0.65 0.10 0.00 -1.74 0.00 0.00 68.15 68.31 2lfb h THR 95 CO 0.52 0.29 0.15 -0.72 0.37 0.00 0.00 175.52 176.14 2lfb s TYR 96 N -5.46 1.32 -1.38 3.16 1.13 -1.26 -3.79 117.35 111.07 2lfb s TYR 96 Ca -0.13 -0.29 -0.03 0.00 -1.41 0.00 0.00 57.07 55.21 2lfb s TYR 96 Cb 0.13 -3.14 0.00 0.00 -1.10 0.00 0.00 41.96 37.85 2lfb s TYR 96 CO 0.80 -1.95 0.38 1.17 -2.51 0.00 0.00 175.55 173.44 2lfb n LYS 97 N -3.00 -3.46 -1.91 -3.49 3.00 -1.26 -4.23 118.16 103.80 2lfb n LYS 97 Ca 0.16 0.80 -0.02 0.00 -0.00 0.00 0.00 58.31 59.26 2lfb n LYS 97 Cb 0.61 -5.36 -0.02 0.00 0.00 0.00 0.00 35.03 30.26 2lfb n LYS 97 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2lfb n LEU 98 N -3.23 -3.62 0.00 3.14 7.94 -1.26 -5.15 117.00 114.82 2lfb n LEU 98 Ca -0.13 0.84 0.03 0.00 -1.11 0.00 0.00 56.01 55.65 2lfb n LEU 98 Cb 0.62 -1.86 0.19 0.00 0.53 0.00 0.00 43.42 42.89 2lfb n LEU 98 CO 0.36 -1.50 0.42 -0.46 -1.11 0.00 0.00 177.39 175.10