#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fkx n ILE 2 N 0.00 -2.41 0.00 4.25 5.41 -1.26 -4.52 119.36 120.83 2fkx n ILE 2 Ca 0.00 0.84 0.00 0.00 1.00 0.00 0.00 62.75 64.59 2fkx n ILE 2 Cb 0.00 -1.17 0.00 0.00 -0.71 0.00 0.00 39.64 37.76 2fkx n ILE 2 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2fkx n THR 3 N -1.06 0.00 -0.35 1.39 -2.24 -1.26 -0.85 114.28 109.90 2fkx n THR 3 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2fkx n THR 3 Cb 0.02 0.00 0.14 0.00 -2.10 0.00 0.00 70.33 68.39 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 1.14 0.00 -0.78 3.64 -1.99 0.27 116.57 118.85 2fkx h LYS 4 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2fkx h LYS 4 Cb 0.00 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.56 2fkx h LYS 4 CO 0.00 0.75 0.00 0.93 -2.27 0.00 0.00 179.45 178.86 2fkx h GLU 5 N 1.17 0.00 0.00 1.90 4.39 -1.23 -1.68 114.58 119.14 2fkx h GLU 5 Ca 0.39 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 60.00 2fkx h GLU 5 Cb 0.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2fkx h GLU 5 CO -0.14 0.00 -0.42 0.93 -1.16 0.00 0.00 179.01 178.22 2fkx h GLU 6 N 0.00 0.00 0.16 2.33 4.39 -1.09 -2.25 114.58 118.11 2fkx h GLU 6 Ca 0.00 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.42 2fkx h GLU 6 Cb 0.90 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.58 2fkx h GLU 6 CO 0.00 0.42 -1.21 0.87 -1.16 0.00 0.00 179.01 177.93 2fkx h LYS 7 N 0.00 0.54 -0.78 2.33 1.57 -0.05 -1.79 116.57 118.40 2fkx h LYS 7 Ca -0.00 -0.79 0.02 0.00 -1.87 0.00 0.00 60.65 58.00 2fkx h LYS 7 Cb 1.32 0.28 -0.04 0.00 0.08 0.00 0.00 32.23 33.87 2fkx h LYS 7 CO 0.06 1.36 0.51 0.37 -0.57 0.00 0.00 179.45 181.18 2fkx h GLN 8 N 0.11 0.99 -0.92 3.15 4.15 -1.27 0.17 115.11 121.49 2fkx h GLN 8 Ca -0.20 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.18 2fkx h GLN 8 Cb 1.92 -0.22 -0.05 0.00 0.21 0.00 0.00 27.48 29.34 2fkx h GLN 8 CO 0.23 0.65 0.61 -0.22 -1.93 0.00 0.00 178.83 178.17 2fkx h LYS 9 N 1.02 1.20 -0.38 1.69 3.64 -1.37 -1.74 116.57 120.62 2fkx h LYS 9 Ca 0.29 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.51 2fkx h LYS 9 Cb -0.06 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.48 2fkx h LYS 9 CO -0.07 0.79 -0.15 0.28 -2.27 0.00 0.00 179.45 178.03 2fkx h VAL 10 N 1.24 1.26 0.00 2.00 2.07 0.15 0.15 116.25 123.12 2fkx h VAL 10 Ca 0.34 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.67 2fkx h VAL 10 Cb -0.13 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2fkx h VAL 10 CO -0.08 0.40 0.00 0.40 0.02 0.00 0.00 177.57 178.31 2fkx h ILE 11 N 0.62 0.00 0.06 4.57 1.08 -0.52 0.36 117.51 123.69 2fkx h ILE 11 Ca 0.10 -0.80 -0.35 0.00 -0.39 0.00 0.00 64.86 63.43 2fkx h ILE 11 Cb 0.61 1.79 -0.04 0.00 -3.07 0.00 0.00 36.82 36.11 2fkx h ILE 11 CO 0.04 0.00 -1.98 0.00 -0.69 0.00 0.00 178.15 175.52 2fkx n GLN 12 N -2.95 0.68 0.00 2.37 10.64 -0.70 -4.40 117.38 123.03 2fkx n GLN 12 Ca 0.03 0.31 0.11 0.00 -1.83 0.00 0.00 57.00 55.63 2fkx n GLN 12 Cb 0.46 -1.66 0.12 0.00 -0.86 0.00 0.00 30.24 28.30 2fkx n GLN 12 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 2fkx n GLU 13 N -3.72 0.02 -1.58 2.61 1.02 0.51 -4.81 120.64 114.70 2fkx n GLU 13 Ca -0.37 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 56.76 2fkx n GLU 13 Cb 0.94 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 2fkx n GLU 13 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2fkx n PHE 14 N -1.47 -3.90 -0.18 -0.32 3.72 0.13 -4.79 117.46 110.64 2fkx n PHE 14 Ca 0.05 2.09 -0.11 0.00 -0.05 0.00 0.00 57.45 59.44 2fkx n PHE 14 Cb 0.33 -3.18 0.01 0.00 -0.94 0.00 0.00 39.48 35.70 2fkx n PHE 14 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2fkx h ALA 15 N 1.09 0.72 -0.67 4.37 0.00 -1.85 -3.47 119.26 119.45 2fkx h ALA 15 Ca 0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 54.91 54.25 2fkx h ALA 15 Cb 0.32 -0.18 -0.11 0.00 0.00 0.00 0.00 17.79 17.81 2fkx h ALA 15 CO 0.00 0.67 -0.26 0.54 0.00 0.00 0.00 179.25 180.20 2fkx n ARG 16 N -4.13 -1.06 -4.03 0.00 3.00 -1.26 -5.00 116.66 104.17 2fkx n ARG 16 Ca 0.01 0.99 -0.28 0.00 -0.01 0.00 0.00 57.85 58.56 2fkx n ARG 16 Cb 0.43 -5.11 -0.05 0.00 0.00 0.00 0.00 32.46 27.73 2fkx n ARG 16 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2fkx s PHE 17 N -2.48 3.26 0.00 -1.55 0.08 -1.26 -4.91 117.98 111.12 2fkx s PHE 17 Ca 0.00 0.06 0.00 0.00 0.12 0.00 0.00 56.93 57.11 2fkx s PHE 17 Cb 0.00 -1.59 0.00 0.00 -0.57 0.00 0.00 43.02 40.86 2fkx s PHE 17 CO 0.00 0.53 0.00 -2.30 -0.10 0.00 0.00 175.22 173.35 2fkx n PRO 18 N -0.14 0.00 -1.95 0.24 -0.02 -1.26 -1.80 135.00 130.07 2fkx n PRO 18 Ca -0.08 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.37 2fkx n PRO 18 Cb 0.53 0.00 0.04 0.00 -0.02 0.00 0.00 33.50 34.05 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 -0.61 1.35 0.18 -1.23 0.00 -1.26 -4.99 105.19 98.64 2fkx n GLY 19 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2fkx n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fkx n ASP 20 N -0.74 0.32 0.00 1.61 9.92 -0.74 -1.60 116.55 125.31 2fkx n ASP 20 Ca -0.19 -1.74 0.00 0.00 -0.53 0.00 0.00 54.79 52.34 2fkx n ASP 20 Cb 0.82 -0.16 0.00 0.00 -0.64 0.00 0.00 41.12 41.14 2fkx n ASP 20 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2fkx n THR 21 N -0.29 0.00 -2.57 -3.53 -1.04 -1.26 -4.75 114.28 100.83 2fkx n THR 21 Ca 0.00 -0.19 -0.18 0.00 -2.04 0.00 0.00 64.05 61.65 2fkx n THR 21 Cb 0.08 1.15 -0.00 0.00 -1.82 0.00 0.00 70.33 69.73 2fkx n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2fkx n GLY 22 N 0.29 -0.50 3.59 3.41 0.00 -0.63 -4.97 105.19 106.38 2fkx n GLY 22 Ca 0.00 0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 2fkx n GLY 22 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2fkx s SER 23 N -2.18 4.25 -0.02 1.61 0.15 -1.26 -5.01 113.70 111.24 2fkx s SER 23 Ca 0.07 -0.73 0.07 0.00 0.70 0.00 0.00 55.95 56.06 2fkx s SER 23 Cb -0.03 -0.68 -0.24 0.00 -1.71 0.00 0.00 66.02 63.36 2fkx s SER 23 CO 0.09 0.03 0.76 0.74 1.20 0.00 0.00 173.24 176.05 2fkx h THR 24 N 2.13 1.01 -0.53 6.45 2.02 -2.01 -3.35 112.91 118.62 2fkx h THR 24 Ca -0.44 -2.79 0.00 0.00 0.77 0.00 0.00 66.41 63.95 2fkx h THR 24 Cb 1.24 2.55 -0.03 0.00 -1.74 0.00 0.00 68.15 70.18 2fkx h THR 24 CO 0.59 0.66 0.33 -0.33 0.37 0.00 0.00 175.52 177.15 2fkx h GLU 25 N 0.02 0.72 -0.39 6.66 5.08 -1.99 -1.81 114.58 122.86 2fkx h GLU 25 Ca -0.25 -0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.15 2fkx h GLU 25 Cb 1.98 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 31.06 2fkx h GLU 25 CO 0.10 0.50 0.28 -0.24 -1.00 0.00 0.00 179.01 178.65 2fkx h VAL 26 N 0.72 0.85 0.19 3.13 3.04 -1.96 0.30 116.25 122.52 2fkx h VAL 26 Ca 0.19 -0.03 -0.31 0.00 -1.01 0.00 0.00 66.70 65.54 2fkx h VAL 26 Cb -0.04 0.75 0.03 0.00 -2.01 0.00 0.00 31.29 30.02 2fkx h VAL 26 CO -0.04 0.02 -1.36 1.56 -1.01 0.00 0.00 177.57 176.74 2fkx h GLN 27 N 0.09 0.53 0.00 4.17 1.08 -1.49 -1.57 115.11 117.93 2fkx h GLN 27 Ca 0.18 -0.83 -0.10 0.00 -1.45 0.00 0.00 58.65 56.46 2fkx h GLN 27 Cb 0.62 0.29 -0.01 0.00 -0.05 0.00 0.00 27.48 28.33 2fkx h GLN 27 CO -0.02 1.39 -0.48 0.28 -0.95 0.00 0.00 178.83 179.05 2fkx h VAL 28 N 0.18 1.25 -0.26 -0.54 2.07 -0.78 0.32 116.25 118.50 2fkx h VAL 28 Ca -0.21 -1.69 -0.02 0.00 0.82 0.00 0.00 66.70 65.59 2fkx h VAL 28 Cb 2.05 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 33.75 2fkx h VAL 28 CO 0.25 0.47 0.07 0.00 0.02 0.00 0.00 177.57 178.38 2fkx h ALA 29 N 1.52 0.34 0.00 1.67 0.00 -0.30 0.14 119.26 122.63 2fkx h ALA 29 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2fkx h ALA 29 Cb 0.90 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2fkx h ALA 29 CO 0.06 -0.01 -0.35 1.37 0.00 0.00 0.00 179.25 180.33 2fkx h LEU 30 N 0.25 0.00 -0.13 0.00 -0.00 -1.05 -1.32 115.31 113.06 2fkx h LEU 30 Ca 0.08 -0.04 -0.09 0.00 -0.00 0.00 0.00 57.88 57.83 2fkx h LEU 30 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.94 2fkx h LEU 30 CO 0.00 0.02 -0.27 0.17 -0.00 0.00 0.00 178.44 178.36 2fkx h LEU 31 N 0.00 0.46 -0.27 0.17 8.10 -0.11 0.24 115.31 123.89 2fkx h LEU 31 Ca 0.00 -0.57 -0.16 0.00 0.11 0.00 0.00 57.88 57.26 2fkx h LEU 31 Cb 0.89 -0.13 -0.00 0.00 -0.44 0.00 0.00 40.66 40.98 2fkx h LEU 31 CO 0.00 0.94 -0.46 0.74 -4.11 0.00 0.00 178.44 175.55 2fkx h THR 32 N -0.00 1.29 -0.16 0.15 2.02 -0.77 -1.69 112.91 113.75 2fkx h THR 32 Ca 0.00 -1.66 -0.06 0.00 0.77 0.00 0.00 66.41 65.47 2fkx h THR 32 Cb 0.87 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 2fkx h THR 32 CO 0.06 0.53 -0.16 0.25 0.37 0.00 0.00 175.52 176.58 2fkx h LEU 33 N 0.55 0.26 -0.02 2.58 5.85 -1.25 0.36 115.31 123.64 2fkx h LEU 33 Ca 0.02 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 2fkx h LEU 33 Cb 1.07 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 2fkx h LEU 33 CO 0.11 0.44 0.00 -0.09 -0.34 0.00 0.00 178.44 178.55 2fkx h ARG 34 N 0.25 0.03 -0.76 1.25 2.43 -0.71 0.23 114.38 117.10 2fkx h ARG 34 Ca 0.05 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2fkx h ARG 34 Cb 0.43 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 2fkx h ARG 34 CO 0.03 0.31 0.50 0.82 -1.51 0.00 0.00 179.97 180.11 2fkx h ILE 35 N -0.26 1.16 -0.22 1.20 2.04 -0.84 -0.85 117.51 119.74 2fkx h ILE 35 Ca 0.00 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 2fkx h ILE 35 Cb 0.30 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 2fkx h ILE 35 CO 0.00 0.18 0.11 -1.13 0.00 0.00 0.00 178.15 177.31 2fkx h ASN 36 N 1.00 0.29 0.27 1.72 -1.24 -0.15 0.26 115.58 117.73 2fkx h ASN 36 Ca 0.29 -0.12 -0.07 0.00 0.71 0.00 0.00 56.30 57.11 2fkx h ASN 36 Cb -0.07 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 38.90 2fkx h ASN 36 CO -0.08 0.33 -0.30 -0.09 -1.29 0.00 0.00 177.43 175.99 2fkx h ARG 37 N 0.22 0.06 -0.14 6.67 9.65 -0.25 0.38 114.38 130.98 2fkx h ARG 37 Ca 0.07 -0.02 -0.22 0.00 -1.10 0.00 0.00 59.98 58.72 2fkx h ARG 37 Cb 0.12 -0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.70 2fkx h ARG 37 CO -0.01 0.36 -0.79 1.25 2.80 0.00 0.00 179.97 183.58 2fkx h LEU 38 N 0.05 0.89 -0.94 3.80 6.46 -0.88 -1.24 115.31 123.45 2fkx h LEU 38 Ca 0.01 -0.59 -0.07 0.00 -0.12 0.00 0.00 57.88 57.11 2fkx h LEU 38 Cb 0.56 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.21 2fkx h LEU 38 CO 0.04 1.38 0.05 0.28 -0.62 0.00 0.00 178.44 179.58 2fkx h SER 39 N 0.50 0.79 0.40 1.25 0.02 0.63 -0.61 113.55 116.54 2fkx h SER 39 Ca -0.05 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 60.64 2fkx h SER 39 Cb 1.41 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 2fkx h SER 39 CO 0.16 0.82 -0.41 -0.33 -1.14 0.00 0.00 176.83 175.93 2fkx h GLU 40 N 0.79 0.00 -0.07 3.45 4.39 -0.12 0.30 114.58 123.31 2fkx h GLU 40 Ca 0.16 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.81 2fkx h GLU 40 Cb 0.40 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2fkx h GLU 40 CO 0.01 0.41 -0.13 1.25 -1.16 0.00 0.00 179.01 179.40 2fkx h HIS 41 N 0.00 0.27 0.00 4.33 2.76 -0.48 -2.79 115.15 119.24 2fkx h HIS 41 Ca -0.00 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 2fkx h HIS 41 Cb 0.72 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.63 2fkx h HIS 41 CO 0.00 0.71 0.00 1.28 -1.30 0.00 0.00 177.93 178.62 2fkx n LEU 42 N -4.63 0.22 0.04 0.26 7.99 -0.31 -1.28 117.00 119.29 2fkx n LEU 42 Ca -0.08 0.54 0.13 0.00 -0.01 0.00 0.00 56.01 56.60 2fkx n LEU 42 Cb 0.36 -0.50 0.48 0.00 -0.11 0.00 0.00 43.42 43.65 2fkx n LEU 42 CO 0.38 -0.26 0.84 1.17 -1.51 0.00 0.00 177.39 178.01 2fkx n LYS 43 N -1.73 0.11 -0.02 3.23 4.81 0.08 -2.56 118.16 122.08 2fkx n LYS 43 Ca 0.04 0.08 -0.13 0.00 -0.87 0.00 0.00 58.31 57.43 2fkx n LYS 43 Cb 0.24 -1.62 -0.14 0.00 0.02 0.00 0.00 35.03 33.53 2fkx n LYS 43 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2fkx n VAL 44 N -1.81 1.64 -0.63 3.15 0.31 -0.41 -4.92 118.33 115.67 2fkx n VAL 44 Ca 0.06 -0.75 -0.30 0.00 -0.01 0.00 0.00 64.34 63.33 2fkx n VAL 44 Cb 0.38 -1.22 0.19 0.00 -0.91 0.00 0.00 33.84 32.28 2fkx n VAL 44 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2fkx n HIS 45 N -3.16 0.09 0.02 3.52 8.25 -0.96 -4.99 115.22 117.99 2fkx n HIS 45 Ca -0.24 0.24 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 2fkx n HIS 45 Cb 1.06 -1.90 -0.00 0.00 1.12 0.00 0.00 29.99 30.27 2fkx n HIS 45 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2fkx h LYS 46 N -2.10 -0.06 0.00 -0.41 1.79 -1.91 -3.43 116.57 110.45 2fkx h LYS 46 Ca -0.48 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 57.96 2fkx h LYS 46 Cb 1.29 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.90 2fkx h LYS 46 CO 0.43 -0.04 -0.28 0.36 -1.08 0.00 0.00 179.45 178.84 2fkx n LYS 47 N -2.20 0.00 -3.79 3.15 2.85 -1.26 -5.04 118.16 111.88 2fkx n LYS 47 Ca -0.01 -0.60 -0.30 0.00 -1.05 0.00 0.00 58.31 56.35 2fkx n LYS 47 Cb 0.02 -0.08 -0.14 0.00 -0.65 0.00 0.00 35.03 34.18 2fkx n LYS 47 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2fkx s ASP 48 N -0.60 4.01 -0.49 -5.58 2.15 -1.26 -4.96 116.67 109.94 2fkx s ASP 48 Ca 0.03 -2.24 0.06 0.00 0.43 0.00 0.00 52.55 50.83 2fkx s ASP 48 Cb 0.03 -1.12 0.23 0.00 -0.30 0.00 0.00 42.92 41.76 2fkx s ASP 48 CO -0.01 -0.33 0.54 1.57 -0.17 0.00 0.00 175.17 176.76 2fkx n HIS 49 N 4.08 0.95 -1.63 -5.34 -0.00 -1.26 -4.83 115.22 107.18 2fkx n HIS 49 Ca 0.04 -3.75 0.00 0.00 0.46 0.00 0.00 57.72 54.47 2fkx n HIS 49 Cb 0.38 -0.32 0.00 0.00 -0.12 0.00 0.00 29.99 29.93 2fkx n HIS 49 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2fkx n HIS 50 N 1.59 0.00 -1.88 1.57 -0.00 -1.26 -4.91 115.22 110.33 2fkx n HIS 50 Ca 0.25 -0.01 -0.41 0.00 -0.00 0.00 0.00 57.72 57.56 2fkx n HIS 50 Cb 0.47 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.99 30.42 2fkx n HIS 50 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2fkx n SER 51 N -0.01 7.18 -0.54 0.26 7.64 -1.26 -4.47 113.62 122.42 2fkx n SER 51 Ca 0.00 -2.97 0.13 0.00 1.01 0.00 0.00 58.87 57.04 2fkx n SER 51 Cb 0.63 -1.46 0.38 0.00 -1.01 0.00 0.00 64.21 62.74 2fkx n SER 51 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fkx n HIS 52 N 3.05 0.00 -2.00 1.43 1.44 -1.26 -4.81 115.22 113.06 2fkx n HIS 52 Ca 0.60 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.89 2fkx n HIS 52 Cb 0.28 -0.02 -0.03 0.00 0.12 0.00 0.00 29.99 30.34 2fkx n HIS 52 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2fkx s ARG 53 N -2.11 4.24 0.00 -1.40 3.00 -1.26 -1.36 118.95 120.06 2fkx s ARG 53 Ca 0.32 2.27 0.00 0.00 0.00 0.00 0.00 55.73 58.32 2fkx s ARG 53 Cb 0.20 -3.31 0.00 0.00 0.00 0.00 0.00 34.95 31.84 2fkx s ARG 53 CO 0.37 -0.60 0.00 0.41 0.00 0.00 0.00 175.30 175.49 2fkx n GLY 54 N 3.75 3.08 0.04 -3.53 0.00 -1.26 -4.77 105.19 102.49 2fkx n GLY 54 Ca 0.14 -0.89 0.15 0.00 0.00 0.00 0.00 46.02 45.42 2fkx n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fkx n LEU 55 N 0.00 0.14 -0.02 0.99 4.32 -0.46 -3.15 117.00 118.82 2fkx n LEU 55 Ca 0.00 0.09 -0.02 0.00 -0.02 0.00 0.00 56.01 56.07 2fkx n LEU 55 Cb 0.00 -0.14 0.25 0.00 -1.62 0.00 0.00 43.42 41.90 2fkx n LEU 55 CO 0.00 0.03 0.88 -0.07 -1.22 0.00 0.00 177.39 177.00 2fkx h LEU 56 N 0.19 0.54 -0.62 2.23 3.38 -1.79 -1.25 115.31 118.00 2fkx h LEU 56 Ca 0.00 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 2fkx h LEU 56 Cb 0.19 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2fkx h LEU 56 CO 0.00 0.65 0.14 0.24 0.09 0.00 0.00 178.44 179.56 2fkx h MET 57 N 0.54 1.00 -0.54 1.13 2.86 -1.88 0.26 114.93 118.29 2fkx h MET 57 Ca 0.11 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 2fkx h MET 57 Cb 0.43 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 2fkx h MET 57 CO 0.02 0.92 0.23 0.52 1.06 0.00 0.00 176.91 179.66 2fkx h MET 58 N 0.91 0.80 -0.66 1.72 2.86 -1.56 0.12 114.93 119.11 2fkx h MET 58 Ca 0.19 -0.13 -0.07 0.00 -2.06 0.00 0.00 59.70 57.63 2fkx h MET 58 Cb 0.38 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 2fkx h MET 58 CO 0.00 0.68 0.14 0.28 1.06 0.00 0.00 176.91 179.08 2fkx h VAL 59 N 0.73 1.26 -0.56 -2.22 2.07 -1.05 -1.53 116.25 114.95 2fkx h VAL 59 Ca 0.18 -0.97 -0.06 0.00 0.82 0.00 0.00 66.70 66.68 2fkx h VAL 59 Cb 0.17 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 2fkx h VAL 59 CO -0.02 0.37 0.10 1.23 0.02 0.00 0.00 177.57 179.27 2fkx h GLY 60 N 1.06 0.95 1.56 2.17 0.00 -0.35 -1.66 103.07 106.80 2fkx h GLY 60 Ca 0.21 -0.59 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 2fkx h GLY 60 CO 0.00 0.55 -0.08 1.46 0.00 0.00 0.00 176.54 178.47 2fkx h GLN 61 N 0.84 0.53 -0.68 4.80 4.20 -0.36 -1.99 115.11 122.46 2fkx h GLN 61 Ca 0.18 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 2fkx h GLN 61 Cb 0.36 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 2fkx h GLN 61 CO 0.01 0.62 0.24 -0.09 -0.67 0.00 0.00 178.83 178.93 2fkx h ARG 62 N 0.50 1.04 -0.73 1.46 2.43 -0.61 0.31 114.38 118.78 2fkx h ARG 62 Ca 0.10 -0.21 -0.06 0.00 -0.81 0.00 0.00 59.98 58.99 2fkx h ARG 62 Cb 0.45 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 2fkx h ARG 62 CO 0.02 0.89 0.21 0.00 -1.51 0.00 0.00 179.97 179.58 2fkx h ARG 63 N 0.98 1.14 0.02 0.20 2.47 -0.65 0.33 114.38 118.87 2fkx h ARG 63 Ca 0.22 -0.26 -0.23 0.00 -1.26 0.00 0.00 59.98 58.46 2fkx h ARG 63 Cb 0.26 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.40 2fkx h ARG 63 CO -0.01 0.98 -1.10 0.07 0.56 0.00 0.00 179.97 180.47 2fkx h ARG 64 N 1.08 0.04 0.00 0.04 0.11 -1.14 -3.18 114.38 111.33 2fkx h ARG 64 Ca 0.23 -0.08 -0.01 0.00 0.10 0.00 0.00 59.98 60.23 2fkx h ARG 64 Cb 0.33 0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.44 2fkx h ARG 64 CO -0.00 1.00 -0.03 -0.07 0.10 0.00 0.00 179.97 180.96 2fkx h LEU 65 N 0.01 0.00 -0.31 0.08 3.38 -0.16 -2.10 115.31 116.21 2fkx h LEU 65 Ca -0.05 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.96 2fkx h LEU 65 Cb 1.82 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.53 2fkx h LEU 65 CO 0.14 0.03 0.06 0.25 0.09 0.00 0.00 178.44 179.02 2fkx h LEU 66 N 0.00 0.02 -1.24 1.67 5.85 -0.91 0.41 115.31 121.11 2fkx h LEU 66 Ca -0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2fkx h LEU 66 Cb 0.68 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.78 2fkx h LEU 66 CO 0.00 0.05 0.00 -1.14 -0.34 0.00 0.00 178.44 177.01 2fkx n ARG 67 N -5.08 1.37 0.05 1.25 0.63 -0.80 -2.18 116.66 111.89 2fkx n ARG 67 Ca 0.00 -0.30 0.00 0.00 -0.92 0.00 0.00 57.85 56.63 2fkx n ARG 67 Cb 0.13 -1.57 0.00 0.00 0.45 0.00 0.00 32.46 31.47 2fkx n ARG 67 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 2fkx n TYR 68 N 0.06 -0.54 -0.07 -0.14 9.36 -0.46 -4.46 117.16 120.91 2fkx n TYR 68 Ca 0.03 0.10 -0.11 0.00 3.32 0.00 0.00 57.90 61.24 2fkx n TYR 68 Cb 0.34 0.22 -0.04 0.00 -0.63 0.00 0.00 39.34 39.23 2fkx n TYR 68 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2fkx h LEU 69 N 0.00 0.31 -1.07 2.98 3.38 -0.31 -1.82 115.31 118.79 2fkx h LEU 69 Ca 0.00 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 2fkx h LEU 69 Cb 0.30 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2fkx h LEU 69 CO 0.00 0.41 -0.21 -0.61 0.09 0.00 0.00 178.44 178.12 2fkx h GLN 70 N 0.20 0.00 -0.25 1.13 4.15 -1.60 -3.10 115.11 115.64 2fkx h GLN 70 Ca 0.07 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.31 2fkx h GLN 70 Cb 0.20 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.89 2fkx h GLN 70 CO -0.00 0.21 -0.57 -0.09 -1.93 0.00 0.00 178.83 176.44 2fkx h ARG 71 N 0.00 0.80 0.00 1.69 2.43 -1.57 -1.31 114.38 116.43 2fkx h ARG 71 Ca -0.00 -0.52 -0.09 0.00 -0.81 0.00 0.00 59.98 58.56 2fkx h ARG 71 Cb 0.76 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 2fkx h ARG 71 CO 0.03 1.15 -0.42 1.49 -1.51 0.00 0.00 179.97 180.71 2fkx h GLU 72 N 0.61 0.00 -0.26 0.20 4.81 -1.30 -3.44 114.58 115.20 2fkx h GLU 72 Ca 0.01 0.00 0.25 0.00 -0.13 0.00 0.00 59.36 59.49 2fkx h GLU 72 Cb 1.17 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.34 2fkx h GLU 72 CO 0.12 0.42 0.21 0.34 -0.73 0.00 0.00 179.01 179.37 2fkx s ASP 73 N -6.40 -0.33 0.48 1.04 2.15 -1.17 -5.05 116.67 107.39 2fkx s ASP 73 Ca 0.03 0.22 0.16 0.00 0.43 0.00 0.00 52.55 53.39 2fkx s ASP 73 Cb 0.08 1.28 1.16 0.00 -0.30 0.00 0.00 42.92 45.14 2fkx s ASP 73 CO 0.72 -0.06 2.05 -0.65 -0.17 0.00 0.00 175.17 177.06 2fkx h PRO 74 N 7.93 0.21 -0.31 4.34 0.11 -1.47 -2.05 132.00 140.76 2fkx h PRO 74 Ca -0.13 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.86 2fkx h PRO 74 Cb 1.17 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2fkx h PRO 74 CO -0.12 0.14 -0.23 1.49 -0.21 0.00 0.00 178.00 179.06 2fkx h GLU 75 N 0.21 0.70 -0.64 1.05 4.57 -1.91 -2.76 114.58 115.80 2fkx h GLU 75 Ca 0.16 -0.34 0.04 0.00 -1.18 0.00 0.00 59.36 58.04 2fkx h GLU 75 Cb 0.37 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.92 2fkx h GLU 75 CO -0.03 0.95 0.42 0.00 -1.18 0.00 0.00 179.01 179.17 2fkx h ARG 76 N 0.45 0.70 -0.04 1.92 2.47 -1.67 0.14 114.38 118.34 2fkx h ARG 76 Ca 0.06 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2fkx h ARG 76 Cb 0.78 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.95 2fkx h ARG 76 CO 0.06 0.46 0.01 -0.92 0.56 0.00 0.00 179.97 180.14 2fkx h TYR 77 N 0.72 0.07 -0.71 3.04 3.20 -1.26 0.49 116.97 122.52 2fkx h TYR 77 Ca 0.26 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.06 2fkx h TYR 77 Cb 0.13 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 2fkx h TYR 77 CO -0.00 0.26 0.20 0.00 -1.64 0.00 0.00 178.16 176.97 2fkx h ARG 78 N -0.13 1.11 -0.04 1.82 2.47 -1.15 -1.59 114.38 116.87 2fkx h ARG 78 Ca 0.01 -0.25 -0.15 0.00 -1.26 0.00 0.00 59.98 58.34 2fkx h ARG 78 Cb 0.22 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 2fkx h ARG 78 CO -0.00 0.96 -0.66 0.00 0.56 0.00 0.00 179.97 180.83 2fkx h ALA 79 N 1.15 0.82 -0.03 0.04 0.00 -0.66 -2.65 119.26 117.93 2fkx h ALA 79 Ca 0.23 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 2fkx h ALA 79 Cb 0.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2fkx h ALA 79 CO -0.00 0.78 -0.26 1.25 0.00 0.00 0.00 179.25 181.02 2fkx h LEU 80 N 0.12 0.05 -0.37 0.00 7.12 -0.18 0.84 115.31 122.88 2fkx h LEU 80 Ca -0.01 -0.01 -0.14 0.00 0.13 0.00 0.00 57.88 57.85 2fkx h LEU 80 Cb 1.18 -0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 41.28 2fkx h LEU 80 CO 0.10 0.31 -0.67 0.16 -0.13 0.00 0.00 178.44 178.21 2fkx h ILE 81 N 0.05 1.28 0.03 4.05 -0.00 -1.05 -0.31 117.51 121.55 2fkx h ILE 81 Ca 0.01 -2.45 -0.22 0.00 -0.00 0.00 0.00 64.86 62.20 2fkx h ILE 81 Cb 0.48 2.40 -0.01 0.00 -0.00 0.00 0.00 36.82 39.69 2fkx h ILE 81 CO 0.03 0.65 -0.97 -0.08 -0.00 0.00 0.00 178.15 177.79 2fkx h GLU 82 N 0.00 0.25 -0.08 0.16 4.57 -0.98 0.33 114.58 118.83 2fkx h GLU 82 Ca -0.01 -0.30 -0.01 0.00 -1.18 0.00 0.00 59.36 57.86 2fkx h GLU 82 Cb 1.34 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 30.02 2fkx h GLU 82 CO 0.09 1.04 0.01 0.87 -1.18 0.00 0.00 179.01 179.83 2fkx h LYS 83 N 0.12 0.14 0.00 1.92 1.57 0.11 -3.06 116.57 117.37 2fkx h LYS 83 Ca -0.07 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2fkx h LYS 83 Cb 1.63 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.92 2fkx h LYS 83 CO 0.15 0.38 -0.13 1.37 -0.57 0.00 0.00 179.45 180.66 2fkx h LEU 84 N -0.12 0.00 -1.42 2.94 8.10 -1.17 -3.48 115.31 120.15 2fkx h LEU 84 Ca 0.02 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 58.00 2fkx h LEU 84 Cb 0.32 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.54 2fkx h LEU 84 CO 0.00 0.00 0.00 0.61 -4.11 0.00 0.00 178.44 174.95 2fkx n GLY 85 N 1.16 0.85 0.11 0.17 0.00 -0.72 -4.90 105.19 101.86 2fkx n GLY 85 Ca 0.04 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2fkx n GLY 85 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2fkx h ILE 86 N 0.00 0.73 0.00 -0.61 1.08 -0.65 -3.29 117.51 114.78 2fkx h ILE 86 Ca 0.00 -2.20 0.00 0.00 -0.39 0.00 0.00 64.86 62.27 2fkx h ILE 86 Cb 0.50 2.25 0.00 0.00 -3.07 0.00 0.00 36.82 36.50 2fkx h ILE 86 CO 0.00 0.42 -1.58 0.54 -0.69 0.00 0.00 178.15 176.84 2fkx n ARG 87 N -3.05 0.60 -0.85 2.37 1.74 -1.26 -5.09 116.66 111.11 2fkx n ARG 87 Ca -0.05 -0.08 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 2fkx n ARG 87 Cb 0.81 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 2fkx n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52