#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fkx s ILE 2 N 0.00 2.21 0.14 4.25 -4.36 -1.26 -5.01 121.20 117.17 2fkx s ILE 2 Ca 0.00 -0.05 -0.04 0.00 -0.26 0.00 0.00 60.65 60.31 2fkx s ILE 2 Cb 0.00 -3.04 0.02 0.00 1.25 0.00 0.00 42.46 40.69 2fkx s ILE 2 CO 0.00 -0.05 0.25 0.35 0.24 0.00 0.00 174.94 175.73 2fkx n THR 3 N -3.17 0.00 0.15 8.37 -2.24 -1.26 -4.95 114.28 111.18 2fkx n THR 3 Ca 0.08 -0.45 -0.14 0.00 -2.27 0.00 0.00 64.05 61.27 2fkx n THR 3 Cb 0.61 0.37 -0.07 0.00 -2.10 0.00 0.00 70.33 69.14 2fkx n THR 3 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2fkx h LYS 4 N 0.00 -0.43 0.00 -0.78 3.64 -1.99 0.12 116.57 117.13 2fkx h LYS 4 Ca -0.11 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2fkx h LYS 4 Cb 0.44 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2fkx h LYS 4 CO 0.15 -0.29 -0.11 0.39 -2.27 0.00 0.00 179.45 177.32 2fkx n GLU 5 N -5.33 0.08 0.07 1.90 4.71 -1.26 -2.48 120.64 118.33 2fkx n GLU 5 Ca -0.08 0.05 -0.05 0.00 -0.01 0.00 0.00 57.16 57.07 2fkx n GLU 5 Cb 0.24 -1.58 -0.09 0.00 -1.01 0.00 0.00 31.44 29.00 2fkx n GLU 5 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2fkx h GLU 6 N 0.00 0.00 -0.11 3.49 4.39 -1.83 -0.51 114.58 120.00 2fkx h GLU 6 Ca 0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 2fkx h GLU 6 Cb 0.57 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2fkx h GLU 6 CO 0.00 0.83 -0.17 -0.22 -1.16 0.00 0.00 179.01 178.29 2fkx h LYS 7 N 0.00 0.32 -0.81 2.33 3.64 -0.59 -0.42 116.57 121.04 2fkx h LYS 7 Ca -0.03 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 2fkx h LYS 7 Cb 1.70 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.50 2fkx h LYS 7 CO 0.11 0.77 0.52 1.96 -2.27 0.00 0.00 179.45 180.54 2fkx h GLN 8 N -0.10 1.08 -0.29 1.90 4.20 -1.45 0.17 115.11 120.61 2fkx h GLN 8 Ca 0.01 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 2fkx h GLN 8 Cb 0.74 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 2fkx h GLN 8 CO 0.04 0.73 0.06 -0.22 -0.67 0.00 0.00 178.83 178.77 2fkx h LYS 9 N 1.11 0.48 -0.68 1.46 3.64 -0.92 -0.71 116.57 120.94 2fkx h LYS 9 Ca 0.30 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.48 2fkx h LYS 9 Cb -0.10 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 2fkx h LYS 9 CO -0.06 0.57 0.13 0.28 -2.27 0.00 0.00 179.45 178.10 2fkx h VAL 10 N 0.31 1.26 -0.27 2.00 2.07 -0.50 -1.18 116.25 119.95 2fkx h VAL 10 Ca 0.09 -1.03 -0.11 0.00 0.82 0.00 0.00 66.70 66.47 2fkx h VAL 10 Cb 0.32 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2fkx h VAL 10 CO 0.00 0.39 -0.28 0.40 0.02 0.00 0.00 177.57 178.10 2fkx h ILE 11 N 1.05 1.31 0.00 4.57 5.03 -0.94 0.53 117.51 129.05 2fkx h ILE 11 Ca 0.21 -1.45 -0.05 0.00 -0.12 0.00 0.00 64.86 63.45 2fkx h ILE 11 Cb 0.43 1.63 -0.01 0.00 -3.03 0.00 0.00 36.82 35.85 2fkx h ILE 11 CO 0.01 0.46 -0.23 0.06 -0.68 0.00 0.00 178.15 177.76 2fkx h GLN 12 N 0.38 0.00 0.00 2.37 3.07 -1.06 -3.05 115.11 116.83 2fkx h GLN 12 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.78 2fkx h GLN 12 Cb 0.85 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.41 2fkx h GLN 12 CO 0.07 0.23 -0.03 1.49 0.09 0.00 0.00 178.83 180.69 2fkx h GLU 13 N 0.00 0.00 0.00 0.06 4.57 -1.03 -3.46 114.58 114.72 2fkx h GLU 13 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2fkx h GLU 13 Cb 0.72 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 2fkx h GLU 13 CO 0.03 0.21 0.00 1.19 -1.18 0.00 0.00 179.01 179.26 2fkx n PHE 14 N -4.74 0.00 -1.67 0.92 3.72 0.16 -4.95 117.46 110.91 2fkx n PHE 14 Ca -0.02 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.91 2fkx n PHE 14 Cb 0.11 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.61 2fkx n PHE 14 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2fkx n ALA 15 N -1.32 1.12 -3.21 4.37 0.00 -1.15 -4.87 120.51 115.46 2fkx n ALA 15 Ca 0.00 0.23 -0.23 0.00 0.00 0.00 0.00 53.44 53.44 2fkx n ALA 15 Cb 0.00 -2.57 -0.07 0.00 0.00 0.00 0.00 19.45 16.81 2fkx n ALA 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2fkx n ARG 16 N 7.07 0.54 -4.16 0.00 0.63 -1.26 -4.69 116.66 114.79 2fkx n ARG 16 Ca 0.23 -3.06 -0.11 0.00 -0.92 0.00 0.00 57.85 53.99 2fkx n ARG 16 Cb 0.33 -1.38 -0.10 0.00 0.45 0.00 0.00 32.46 31.76 2fkx n ARG 16 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2fkx s PHE 17 N -0.59 1.00 -0.68 -0.14 0.40 -1.26 -4.99 117.98 111.73 2fkx s PHE 17 Ca 0.34 -1.28 -0.24 0.00 -0.60 0.00 0.00 56.93 55.16 2fkx s PHE 17 Cb 0.13 -0.47 -0.19 0.00 0.51 0.00 0.00 43.02 42.99 2fkx s PHE 17 CO -0.15 -0.63 1.87 -2.30 0.70 0.00 0.00 175.22 174.72 2fkx n PRO 18 N -0.23 1.25 0.00 0.24 -0.02 -1.26 -1.50 135.00 133.48 2fkx n PRO 18 Ca -0.01 -1.75 0.00 0.00 -2.02 0.00 0.00 63.50 59.72 2fkx n PRO 18 Cb 0.65 -2.92 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 2fkx n PRO 18 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fkx n GLY 19 N 4.72 0.00 3.10 -1.23 0.00 -1.26 -5.05 105.19 105.47 2fkx n GLY 19 Ca 0.49 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.12 2fkx n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2fkx n ASP 20 N 0.00 2.42 0.00 1.61 5.75 -0.56 -1.79 116.55 123.98 2fkx n ASP 20 Ca 0.00 -2.56 0.00 0.00 -0.01 0.00 0.00 54.79 52.22 2fkx n ASP 20 Cb 0.00 -0.96 0.00 0.00 -1.03 0.00 0.00 41.12 39.13 2fkx n ASP 20 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 2fkx n THR 21 N 5.89 0.00 -2.25 2.12 5.66 -1.26 -4.90 114.28 119.54 2fkx n THR 21 Ca 0.46 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.45 2fkx n THR 21 Cb 0.35 0.00 0.08 0.00 -1.55 0.00 0.00 70.33 69.21 2fkx n THR 21 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2fkx n GLY 22 N -0.25 3.13 3.82 1.09 0.00 -0.74 -4.94 105.19 107.31 2fkx n GLY 22 Ca 0.00 -1.30 -0.32 0.00 0.00 0.00 0.00 46.02 44.40 2fkx n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2fkx s SER 23 N -2.96 5.89 0.27 1.61 0.01 -1.22 -4.84 113.70 112.46 2fkx s SER 23 Ca 0.36 1.67 -0.00 0.00 1.31 0.00 0.00 55.95 59.29 2fkx s SER 23 Cb 0.37 -2.51 0.61 0.00 0.21 0.00 0.00 66.02 64.70 2fkx s SER 23 CO -0.08 -1.09 1.68 0.74 0.41 0.00 0.00 173.24 174.89 2fkx h THR 24 N 0.13 0.46 -0.21 1.44 2.02 -1.98 -1.36 112.91 113.42 2fkx h THR 24 Ca -0.46 -0.11 0.05 0.00 0.77 0.00 0.00 66.41 66.67 2fkx h THR 24 Cb 1.21 0.12 -0.05 0.00 -1.74 0.00 0.00 68.15 67.69 2fkx h THR 24 CO 0.59 0.06 -0.10 -0.33 0.37 0.00 0.00 175.52 176.10 2fkx h GLU 25 N 0.31 -0.08 -0.16 6.66 5.08 -1.92 0.16 114.58 124.63 2fkx h GLU 25 Ca 0.50 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.75 2fkx h GLU 25 Cb 0.92 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 2fkx h GLU 25 CO -0.55 -0.05 -0.38 0.28 -1.00 0.00 0.00 179.01 177.30 2fkx h VAL 26 N -0.08 1.30 -0.15 3.13 2.07 -1.63 -0.11 116.25 120.77 2fkx h VAL 26 Ca 0.11 -1.49 -0.21 0.00 0.82 0.00 0.00 66.70 65.94 2fkx h VAL 26 Cb 0.25 1.60 0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2fkx h VAL 26 CO -0.26 0.45 -0.74 -0.61 0.02 0.00 0.00 177.57 176.44 2fkx h GLN 27 N 0.29 0.72 -0.01 1.57 4.15 -0.71 0.16 115.11 121.28 2fkx h GLN 27 Ca 0.03 -0.57 -0.11 0.00 0.77 0.00 0.00 58.65 58.77 2fkx h GLN 27 Cb 0.81 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.60 2fkx h GLN 27 CO 0.06 1.18 -0.51 0.28 -1.93 0.00 0.00 178.83 177.92 2fkx h VAL 28 N 0.50 1.37 -0.23 2.39 2.07 -0.63 0.27 116.25 121.99 2fkx h VAL 28 Ca -0.04 -1.75 -0.02 0.00 0.82 0.00 0.00 66.70 65.71 2fkx h VAL 28 Cb 1.35 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 33.04 2fkx h VAL 28 CO 0.15 0.50 0.07 0.00 0.02 0.00 0.00 177.57 178.31 2fkx h ALA 29 N 1.46 0.31 0.00 1.67 0.00 -0.66 0.90 119.26 122.94 2fkx h ALA 29 Ca -0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 2fkx h ALA 29 Cb 0.91 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2fkx h ALA 29 CO 0.07 -0.06 -0.49 1.37 0.00 0.00 0.00 179.25 180.14 2fkx h LEU 30 N 0.21 0.00 -0.39 0.00 8.10 -0.39 0.13 115.31 122.96 2fkx h LEU 30 Ca 0.07 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.95 2fkx h LEU 30 Cb 0.25 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.46 2fkx h LEU 30 CO -0.00 0.49 -0.19 0.17 -4.11 0.00 0.00 178.44 174.79 2fkx h LEU 31 N 0.00 0.84 -0.28 0.17 8.10 -0.15 0.88 115.31 124.88 2fkx h LEU 31 Ca -0.00 -0.41 -0.13 0.00 0.11 0.00 0.00 57.88 57.44 2fkx h LEU 31 Cb 1.00 -0.23 -0.00 0.00 -0.44 0.00 0.00 40.66 40.99 2fkx h LEU 31 CO 0.06 1.06 -0.35 0.74 -4.11 0.00 0.00 178.44 175.85 2fkx h THR 32 N 0.62 1.30 -0.72 0.15 2.02 -0.56 -1.11 112.91 114.62 2fkx h THR 32 Ca 0.09 -1.54 -0.03 0.00 0.77 0.00 0.00 66.41 65.70 2fkx h THR 32 Cb 0.75 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.76 2fkx h THR 32 CO 0.06 0.49 0.31 -0.07 0.37 0.00 0.00 175.52 176.68 2fkx h LEU 33 N 0.46 0.95 -0.33 2.58 3.38 -0.68 -0.83 115.31 120.85 2fkx h LEU 33 Ca 0.03 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2fkx h LEU 33 Cb 0.94 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2fkx h LEU 33 CO 0.08 0.83 0.10 -0.09 0.09 0.00 0.00 178.44 179.46 2fkx h ARG 34 N 1.03 0.52 -0.21 1.13 2.43 -0.65 0.11 114.38 118.74 2fkx h ARG 34 Ca 0.24 -0.11 0.04 0.00 -0.81 0.00 0.00 59.98 59.34 2fkx h ARG 34 Cb 0.16 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.60 2fkx h ARG 34 CO -0.03 0.55 -0.04 0.82 -1.51 0.00 0.00 179.97 179.77 2fkx h ILE 35 N 0.39 0.81 -0.10 1.20 2.04 -0.70 0.39 117.51 121.53 2fkx h ILE 35 Ca 0.11 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.96 2fkx h ILE 35 Cb 0.25 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2fkx h ILE 35 CO -0.00 0.00 0.07 0.78 0.00 0.00 0.00 178.15 179.00 2fkx h ASN 36 N 0.02 0.12 -0.63 1.72 2.35 -1.00 0.10 115.58 118.26 2fkx h ASN 36 Ca 0.10 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2fkx h ASN 36 Cb 0.15 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 2fkx h ASN 36 CO -0.20 0.10 0.35 -0.09 -1.65 0.00 0.00 177.43 175.93 2fkx h ARG 37 N 0.13 0.89 -0.02 0.81 1.12 -0.43 -1.60 114.38 115.27 2fkx h ARG 37 Ca 0.04 -0.10 -0.13 0.00 -1.11 0.00 0.00 59.98 58.68 2fkx h ARG 37 Cb -0.00 -0.17 -0.02 0.00 -0.01 0.00 0.00 29.97 29.77 2fkx h ARG 37 CO -0.01 0.67 -0.58 -0.07 -3.11 0.00 0.00 179.97 176.88 2fkx h LEU 38 N 0.86 0.06 -0.49 3.80 3.38 -0.03 -0.19 115.31 122.71 2fkx h LEU 38 Ca 0.22 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 2fkx h LEU 38 Cb 0.04 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2fkx h LEU 38 CO -0.04 0.62 -0.06 0.28 0.09 0.00 0.00 178.44 179.34 2fkx h SER 39 N 0.04 0.90 1.38 -0.43 0.02 -0.21 0.18 113.55 115.43 2fkx h SER 39 Ca -0.00 -0.34 -0.01 0.00 -0.84 0.00 0.00 61.79 60.60 2fkx h SER 39 Cb 1.03 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.32 2fkx h SER 39 CO 0.08 1.03 -0.03 -0.33 -1.14 0.00 0.00 176.83 176.43 2fkx h GLU 40 N 0.76 0.00 -0.03 3.45 5.08 -1.07 -1.49 114.58 121.28 2fkx h GLU 40 Ca 0.13 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 2fkx h GLU 40 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2fkx h GLU 40 CO 0.04 0.03 -0.21 1.25 -1.00 0.00 0.00 179.01 179.12 2fkx h HIS 41 N 0.00 0.27 0.00 4.33 2.76 -0.59 -3.18 115.15 118.74 2fkx h HIS 41 Ca -0.00 -0.12 -0.02 0.00 -2.20 0.00 0.00 60.37 58.02 2fkx h HIS 41 Cb 0.74 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.66 2fkx h HIS 41 CO 0.00 0.86 -0.10 -0.07 -1.30 0.00 0.00 177.93 177.32 2fkx h LEU 42 N -0.41 0.00 0.00 0.26 4.07 -0.39 0.34 115.31 119.18 2fkx h LEU 42 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 2fkx h LEU 42 Cb 0.90 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.64 2fkx h LEU 42 CO 0.04 0.10 0.00 0.29 -1.08 0.00 0.00 178.44 177.80 2fkx n LYS 43 N -3.38 0.92 0.00 1.13 5.02 -0.59 -3.15 118.16 118.11 2fkx n LYS 43 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2fkx n LYS 43 Cb 0.28 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 2fkx n LYS 43 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2fkx n VAL 44 N -0.92 0.00 -2.24 -0.18 0.31 -0.64 -4.91 118.33 109.75 2fkx n VAL 44 Ca 0.19 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.19 2fkx n VAL 44 Cb 0.09 -0.86 -0.04 0.00 -0.91 0.00 0.00 33.84 32.11 2fkx n VAL 44 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2fkx s HIS 45 N -1.99 2.16 -1.40 3.52 3.76 0.11 -4.66 115.29 116.79 2fkx s HIS 45 Ca 0.00 -0.09 0.27 0.00 -0.15 0.00 0.00 55.06 55.09 2fkx s HIS 45 Cb 0.00 -4.27 0.88 0.00 1.11 0.00 0.00 32.58 30.30 2fkx s HIS 45 CO 0.00 -1.61 1.65 0.36 -0.85 0.00 0.00 174.74 174.30 2fkx n LYS 46 N 8.59 0.44 0.00 1.40 2.85 -1.26 -3.33 118.16 126.84 2fkx n LYS 46 Ca 0.42 -0.21 0.13 0.00 -1.05 0.00 0.00 58.31 57.60 2fkx n LYS 46 Cb 0.47 -1.50 0.41 0.00 -0.65 0.00 0.00 35.03 33.76 2fkx n LYS 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2fkx n LYS 47 N -1.10 0.22 -3.47 -1.58 2.85 -1.26 -4.56 118.16 109.26 2fkx n LYS 47 Ca 0.10 -0.10 -0.42 0.00 -1.05 0.00 0.00 58.31 56.84 2fkx n LYS 47 Cb 0.32 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.17 2fkx n LYS 47 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2fkx s ASP 48 N -2.85 6.64 0.95 -5.58 1.11 -1.21 -5.04 116.67 110.69 2fkx s ASP 48 Ca 0.16 -3.45 -0.13 0.00 0.18 0.00 0.00 52.55 49.31 2fkx s ASP 48 Cb 0.18 -2.08 0.16 0.00 1.07 0.00 0.00 42.92 42.26 2fkx s ASP 48 CO 0.60 -0.30 1.14 -1.00 1.18 0.00 0.00 175.17 176.80 2fkx s HIS 49 N -0.99 2.21 -1.35 4.23 3.76 -1.26 -3.75 115.29 118.14 2fkx s HIS 49 Ca 0.27 0.79 -0.01 0.00 -0.15 0.00 0.00 55.06 55.96 2fkx s HIS 49 Cb -0.10 -3.43 0.00 0.00 1.11 0.00 0.00 32.58 30.16 2fkx s HIS 49 CO -0.09 -2.59 0.15 0.72 -0.85 0.00 0.00 174.74 172.08 2fkx n HIS 50 N -3.91 -1.02 -1.24 1.40 8.25 -1.26 -4.94 115.22 112.50 2fkx n HIS 50 Ca 0.08 0.13 -0.36 0.00 -0.26 0.00 0.00 57.72 57.30 2fkx n HIS 50 Cb 0.59 -3.47 0.07 0.00 1.12 0.00 0.00 29.99 28.30 2fkx n HIS 50 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2fkx n SER 51 N -1.28 -1.40 -0.47 0.41 7.64 -1.25 -3.07 113.62 114.21 2fkx n SER 51 Ca -0.16 0.58 -0.05 0.00 1.01 0.00 0.00 58.87 60.25 2fkx n SER 51 Cb 0.63 -1.19 -0.01 0.00 -1.01 0.00 0.00 64.21 62.63 2fkx n SER 51 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2fkx n HIS 52 N -2.38 -0.13 -0.40 1.43 8.25 -1.26 -4.95 115.22 115.78 2fkx n HIS 52 Ca 0.10 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.49 2fkx n HIS 52 Cb 0.50 -1.47 -0.04 0.00 1.12 0.00 0.00 29.99 30.10 2fkx n HIS 52 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2fkx n ARG 53 N -2.08 -0.35 -0.11 -0.41 1.74 -1.17 -1.32 116.66 112.96 2fkx n ARG 53 Ca -0.05 1.50 0.03 0.00 -0.77 0.00 0.00 57.85 58.57 2fkx n ARG 53 Cb 0.38 -2.22 0.09 0.00 -1.02 0.00 0.00 32.46 29.69 2fkx n ARG 53 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2fkx n GLY 54 N -1.34 2.96 0.14 -0.13 0.00 -1.26 -4.58 105.19 100.99 2fkx n GLY 54 Ca 0.05 -0.26 0.06 0.00 0.00 0.00 0.00 46.02 45.88 2fkx n GLY 54 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2fkx h LEU 55 N 1.11 0.00 -0.72 0.99 4.07 -1.59 -3.25 115.31 115.92 2fkx h LEU 55 Ca 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.84 2fkx h LEU 55 Cb 0.66 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.39 2fkx h LEU 55 CO 0.01 0.30 -0.32 -0.07 -1.08 0.00 0.00 178.44 177.27 2fkx h LEU 56 N 0.00 0.64 -0.25 1.67 3.38 -1.72 0.40 115.31 119.43 2fkx h LEU 56 Ca -0.04 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 2fkx h LEU 56 Cb 1.26 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2fkx h LEU 56 CO 0.03 0.92 0.15 -0.03 0.09 0.00 0.00 178.44 179.60 2fkx h MET 57 N 0.53 0.34 -0.40 1.13 4.05 -1.85 0.63 114.93 119.36 2fkx h MET 57 Ca 0.06 -0.03 -0.11 0.00 -0.28 0.00 0.00 59.70 59.33 2fkx h MET 57 Cb 0.81 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.53 2fkx h MET 57 CO 0.07 0.28 -0.19 0.52 0.23 0.00 0.00 176.91 177.81 2fkx h MET 58 N 0.31 0.83 -0.69 0.39 2.86 -1.55 0.70 114.93 117.78 2fkx h MET 58 Ca 0.09 -0.36 -0.02 0.00 -2.06 0.00 0.00 59.70 57.35 2fkx h MET 58 Cb 0.02 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 2fkx h MET 58 CO -0.02 1.00 0.36 0.28 1.06 0.00 0.00 176.91 179.59 2fkx h VAL 59 N 0.64 1.21 -0.45 -2.22 2.07 -0.81 0.49 116.25 117.18 2fkx h VAL 59 Ca 0.09 -0.56 -0.07 0.00 0.82 0.00 0.00 66.70 66.97 2fkx h VAL 59 Cb 0.75 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2fkx h VAL 59 CO 0.06 0.24 0.00 1.23 0.02 0.00 0.00 177.57 179.13 2fkx h GLY 60 N 1.03 0.85 2.00 2.17 0.00 -0.48 -1.77 103.07 106.87 2fkx h GLY 60 Ca 0.24 -0.63 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 2fkx h GLY 60 CO -0.04 0.58 -0.27 1.46 0.00 0.00 0.00 176.54 178.27 2fkx h GLN 61 N 0.64 0.00 0.01 4.80 4.20 -0.39 -0.20 115.11 124.16 2fkx h GLN 61 Ca 0.13 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.63 2fkx h GLN 61 Cb 0.49 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2fkx h GLN 61 CO 0.02 0.27 -0.91 -0.09 -0.67 0.00 0.00 178.83 177.45 2fkx h ARG 62 N 0.00 0.19 0.00 1.46 2.43 -0.67 -0.52 114.38 117.27 2fkx h ARG 62 Ca -0.00 -0.22 -0.07 0.00 -0.81 0.00 0.00 59.98 58.87 2fkx h ARG 62 Cb 0.77 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 2fkx h ARG 62 CO 0.04 0.97 -0.76 0.07 -1.51 0.00 0.00 179.97 178.78 2fkx h ARG 63 N 0.10 0.00 -0.00 0.20 0.11 -1.03 -3.20 114.38 110.56 2fkx h ARG 63 Ca -0.05 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.88 2fkx h ARG 63 Cb 1.55 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.61 2fkx h ARG 63 CO 0.14 0.21 -0.73 -0.09 0.10 0.00 0.00 179.97 179.60 2fkx h ARG 64 N 0.00 0.03 -0.79 0.08 2.43 -0.95 -3.23 114.38 111.94 2fkx h ARG 64 Ca -0.04 -0.03 0.23 0.00 -0.81 0.00 0.00 59.98 59.33 2fkx h ARG 64 Cb 1.25 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.78 2fkx h ARG 64 CO 0.03 0.75 0.58 1.25 -1.51 0.00 0.00 179.97 181.06 2fkx h LEU 65 N 0.02 0.00 -0.13 3.80 5.85 -1.08 -3.08 115.31 120.68 2fkx h LEU 65 Ca -0.01 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.73 2fkx h LEU 65 Cb 1.29 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 2fkx h LEU 65 CO 0.10 0.00 -0.19 0.25 -0.34 0.00 0.00 178.44 178.26 2fkx h LEU 66 N 0.00 -0.63 0.00 2.25 5.85 -1.71 0.41 115.31 121.48 2fkx h LEU 66 Ca 0.38 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.18 2fkx h LEU 66 Cb 1.53 0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.81 2fkx h LEU 66 CO -0.00 -0.14 0.00 0.54 -0.34 0.00 0.00 178.44 178.50 2fkx n ARG 67 N -3.60 0.78 -0.04 1.25 1.74 -1.16 -2.42 116.66 113.19 2fkx n ARG 67 Ca -0.01 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.02 2fkx n ARG 67 Cb 0.12 -1.36 -0.02 0.00 -1.02 0.00 0.00 32.46 30.18 2fkx n ARG 67 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 2fkx n TYR 68 N -0.86 0.00 -0.12 -1.55 9.36 -0.65 -4.22 117.16 119.13 2fkx n TYR 68 Ca 0.13 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.30 2fkx n TYR 68 Cb 0.06 -0.28 0.02 0.00 -0.63 0.00 0.00 39.34 38.52 2fkx n TYR 68 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 2fkx h LEU 69 N -0.55 0.17 -0.89 2.98 5.85 -0.30 -0.63 115.31 121.94 2fkx h LEU 69 Ca 0.00 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.64 2fkx h LEU 69 Cb 0.55 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2fkx h LEU 69 CO 0.00 0.13 -0.49 -0.61 -0.34 0.00 0.00 178.44 177.13 2fkx h GLN 70 N 0.31 0.15 0.00 1.25 4.15 -1.62 -2.99 115.11 116.36 2fkx h GLN 70 Ca 0.18 -0.08 -0.26 0.00 0.77 0.00 0.00 58.65 59.25 2fkx h GLN 70 Cb 0.15 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.86 2fkx h GLN 70 CO -0.17 0.61 -1.03 -0.09 -1.93 0.00 0.00 178.83 176.22 2fkx h ARG 71 N 0.12 0.69 -0.00 1.69 2.43 -1.59 -2.88 114.38 114.84 2fkx h ARG 71 Ca 0.00 -0.75 0.00 0.00 -0.81 0.00 0.00 59.98 58.43 2fkx h ARG 71 Cb 0.92 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 2fkx h ARG 71 CO 0.07 1.32 -0.04 0.39 -1.51 0.00 0.00 179.97 180.21 2fkx n GLU 72 N -3.87 0.66 0.00 0.20 -0.58 -0.30 -4.68 120.64 112.07 2fkx n GLU 72 Ca -0.11 -0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.53 2fkx n GLU 72 Cb 0.88 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.25 2fkx n GLU 72 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2fkx n ASP 73 N -1.08 0.00 0.23 1.62 -0.08 -1.13 -5.04 116.55 111.07 2fkx n ASP 73 Ca 0.16 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.52 2fkx n ASP 73 Cb 0.23 0.00 0.56 0.00 2.34 0.00 0.00 41.12 44.24 2fkx n ASP 73 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2fkx h PRO 74 N 0.00 0.00 -0.07 -0.67 0.13 -1.75 -2.53 132.00 127.11 2fkx h PRO 74 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.89 2fkx h PRO 74 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 2fkx h PRO 74 CO 0.00 0.18 -0.88 0.93 -0.23 0.00 0.00 178.00 178.00 2fkx h GLU 75 N 0.00 0.72 0.00 0.86 4.39 -1.91 -3.10 114.58 115.55 2fkx h GLU 75 Ca -0.00 -0.68 -0.02 0.00 0.34 0.00 0.00 59.36 58.99 2fkx h GLU 75 Cb 0.35 0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2fkx h GLU 75 CO 0.02 1.27 -0.11 0.00 -1.16 0.00 0.00 179.01 179.04 2fkx h ARG 76 N 0.42 0.00 0.27 2.33 2.47 -1.74 0.50 114.38 118.64 2fkx h ARG 76 Ca -0.09 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.62 2fkx h ARG 76 Cb 1.53 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.85 2fkx h ARG 76 CO 0.18 0.11 -0.13 -0.92 0.56 0.00 0.00 179.97 179.76 2fkx h TYR 77 N 0.00 -0.34 0.00 3.04 3.20 -1.43 -0.51 116.97 120.93 2fkx h TYR 77 Ca -0.00 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 2fkx h TYR 77 Cb 0.25 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 2fkx h TYR 77 CO 0.00 -0.21 -0.25 0.07 -1.64 0.00 0.00 178.16 176.13 2fkx h ARG 78 N -0.39 0.00 0.00 1.82 0.11 -1.55 -2.14 114.38 112.22 2fkx h ARG 78 Ca -0.04 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.89 2fkx h ARG 78 Cb 0.28 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.34 2fkx h ARG 78 CO 0.06 0.25 -1.25 0.00 0.10 0.00 0.00 179.97 179.14 2fkx h ALA 79 N 1.75 0.65 0.00 0.08 0.00 -0.03 -2.43 119.26 119.27 2fkx h ALA 79 Ca -0.00 -0.78 -0.12 0.00 0.00 0.00 0.00 54.91 54.01 2fkx h ALA 79 Cb 0.48 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2fkx h ALA 79 CO 0.03 0.87 -0.56 1.25 0.00 0.00 0.00 179.25 180.85 2fkx h LEU 80 N 0.00 0.00 -0.15 0.00 5.85 -0.89 0.24 115.31 120.36 2fkx h LEU 80 Ca -0.13 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.49 2fkx h LEU 80 Cb 1.55 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 2fkx h LEU 80 CO 0.05 0.56 -0.47 0.16 -0.34 0.00 0.00 178.44 178.40 2fkx h ILE 81 N 0.00 0.84 -0.09 4.05 -0.00 -1.44 0.75 117.51 121.62 2fkx h ILE 81 Ca -0.01 -2.08 -0.04 0.00 -0.00 0.00 0.00 64.86 62.74 2fkx h ILE 81 Cb 1.37 2.34 -0.00 0.00 -0.00 0.00 0.00 36.82 40.53 2fkx h ILE 81 CO 0.07 0.46 -0.09 -0.08 -0.00 0.00 0.00 178.15 178.51 2fkx h GLU 82 N 0.00 0.21 -0.04 0.16 4.57 -1.26 0.22 114.58 118.45 2fkx h GLU 82 Ca -0.00 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.06 2fkx h GLU 82 Cb 1.30 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.89 2fkx h GLU 82 CO 0.06 0.65 0.02 0.87 -1.18 0.00 0.00 179.01 179.43 2fkx h LYS 83 N -0.21 0.05 -0.76 1.92 1.57 -0.67 -2.85 116.57 115.61 2fkx h LYS 83 Ca 0.01 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 2fkx h LYS 83 Cb 0.61 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 2fkx h LYS 83 CO 0.02 0.09 0.28 -0.07 -0.57 0.00 0.00 179.45 179.20 2fkx h LEU 84 N -0.01 1.07 -0.06 2.94 3.38 -0.95 -3.47 115.31 118.20 2fkx h LEU 84 Ca 0.01 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2fkx h LEU 84 Cb 0.06 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.53 2fkx h LEU 84 CO -0.00 0.96 0.00 0.61 0.09 0.00 0.00 178.44 180.10 2fkx n GLY 85 N -0.85 0.59 0.36 0.83 0.00 -0.70 -5.00 105.19 100.42 2fkx n GLY 85 Ca 0.07 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.18 2fkx n GLY 85 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2fkx n ILE 86 N -0.04 0.00 0.18 -0.61 5.41 0.71 -4.10 119.36 120.91 2fkx n ILE 86 Ca 0.00 -0.19 0.05 0.00 1.00 0.00 0.00 62.75 63.61 2fkx n ILE 86 Cb 0.02 1.02 0.27 0.00 -0.71 0.00 0.00 39.64 40.24 2fkx n ILE 86 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 2fkx h ARG 87 N 1.76 0.00 0.00 0.38 2.47 -1.89 -3.50 114.38 113.61 2fkx h ARG 87 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2fkx h ARG 87 Cb 0.66 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.98 2fkx h ARG 87 CO 0.00 0.41 0.00 0.41 0.56 0.00 0.00 179.97 181.35