#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 3.82 0.18 0.52 1.10 -1.26 -4.94 121.20 120.62 2fkx s ILE 2 Ca 0.00 -0.34 -0.00 0.00 -0.51 0.00 0.00 60.65 59.79 2fkx s ILE 2 Cb 0.00 -2.75 -0.04 0.00 0.15 0.00 0.00 42.46 39.81 2fkx s ILE 2 CO 0.00 0.40 0.08 -0.89 -2.11 0.00 0.00 174.94 172.41 2fkx s THR 3 N 1.41 0.26 0.23 4.00 2.01 -1.26 -5.00 115.64 117.29 2fkx s THR 3 Ca 0.05 -1.97 -0.04 0.00 0.31 0.00 0.00 61.69 60.04 2fkx s THR 3 Cb -0.15 -2.30 0.09 0.00 0.01 0.00 0.00 72.50 70.15 2fkx s THR 3 CO 0.00 -0.24 1.71 0.07 -0.69 0.00 0.00 174.62 175.47 2fkx h LYS 4 N 2.67 0.88 0.00 4.92 2.10 -1.98 0.26 116.57 125.42 2fkx h LYS 4 Ca -0.36 -0.26 0.00 0.00 -2.00 0.00 0.00 60.65 58.03 2fkx h LYS 4 Cb 1.22 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 2fkx h LYS 4 CO 0.58 0.89 0.00 0.93 -2.00 0.00 0.00 179.45 179.85 2fkx h GLU 5 N 0.81 0.00 0.08 0.07 3.07 -1.98 0.66 114.58 117.29 2fkx h GLU 5 Ca 0.15 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.75 2fkx h GLU 5 Cb 0.52 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 2fkx h GLU 5 CO 0.03 0.00 -1.20 0.93 -1.40 0.00 0.00 179.01 177.37 2fkx h GLU 6 N 0.00 0.18 -0.04 2.33 4.39 -1.67 -1.17 114.58 118.61 2fkx h GLU 6 Ca 0.00 -0.31 -0.24 0.00 0.34 0.00 0.00 59.36 59.15 2fkx h GLU 6 Cb 0.64 0.11 0.01 0.00 -0.10 0.00 0.00 28.75 29.42 2fkx h GLU 6 CO 0.00 1.13 -0.94 -0.22 -1.16 0.00 0.00 179.01 177.82 2fkx h LYS 7 N 0.05 0.63 -0.75 2.33 3.64 -0.01 -1.96 116.57 120.49 2fkx h LYS 7 Ca -0.11 -0.62 -0.03 0.00 -1.27 0.00 0.00 60.65 58.62 2fkx h LYS 7 Cb 1.91 0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 33.86 2fkx h LYS 7 CO 0.18 1.23 0.34 1.96 -2.27 0.00 0.00 179.45 180.88 2fkx h GLN 8 N 0.38 1.08 -0.77 1.90 1.08 -0.85 -1.04 115.11 116.88 2fkx h GLN 8 Ca -0.09 -0.16 -0.02 0.00 -1.45 0.00 0.00 58.65 56.92 2fkx h GLN 8 Cb 1.58 -0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 28.78 2fkx h GLN 8 CO 0.18 0.85 0.39 -0.22 -0.95 0.00 0.00 178.83 179.07 2fkx h LYS 9 N 1.07 1.10 -0.69 1.46 1.63 -1.12 -0.22 116.57 119.80 2fkx h LYS 9 Ca 0.26 -0.15 -0.04 0.00 -0.85 0.00 0.00 60.65 59.86 2fkx h LYS 9 Cb 0.14 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 31.54 2fkx h LYS 9 CO -0.03 0.85 0.26 0.28 -3.45 0.00 0.00 179.45 177.36 2fkx h VAL 10 N 1.08 1.25 -0.49 2.00 2.07 -0.54 0.13 116.25 121.75 2fkx h VAL 10 Ca 0.27 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 2fkx h VAL 10 Cb 0.10 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 2fkx h VAL 10 CO -0.04 0.32 0.12 0.40 0.02 0.00 0.00 177.57 178.39 2fkx h ILE 11 N 1.00 1.24 -0.20 4.57 1.08 -0.94 0.24 117.51 124.51 2fkx h ILE 11 Ca 0.23 -0.85 -0.02 0.00 -0.39 0.00 0.00 64.86 63.84 2fkx h ILE 11 Cb 0.24 0.86 -0.01 0.00 -3.07 0.00 0.00 36.82 34.84 2fkx h ILE 11 CO -0.02 0.30 0.05 -0.61 -0.69 0.00 0.00 178.15 177.19 2fkx h GLN 12 N 0.67 0.31 0.03 2.37 4.15 -0.74 -3.28 115.11 118.62 2fkx h GLN 12 Ca 0.15 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 2fkx h GLN 12 Cb 0.33 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.98 2fkx h GLN 12 CO 0.00 0.43 -0.02 0.93 -1.93 0.00 0.00 178.83 178.25 2fkx h GLU 13 N 0.14 -0.04 0.00 1.69 5.08 -0.63 -3.47 114.58 117.35 2fkx h GLU 13 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2fkx h GLU 13 Cb 0.25 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2fkx h GLU 13 CO -0.00 0.50 0.00 1.19 -1.00 0.00 0.00 179.01 179.70 2fkx n PHE 14 N -4.84 0.00 0.00 4.33 3.72 0.76 -4.84 117.46 116.59 2fkx n PHE 14 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 2fkx n PHE 14 Cb 0.28 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 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 -1.77 0.00 -1.31 4.37 0.00 -0.58 -4.26 120.51 116.97 2fkx n ALA 15 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2fkx n ALA 15 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2fkx n ALA 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2fkx n ARG 16 N 0.00 -0.68 -4.23 0.00 1.74 -1.26 -4.55 116.66 107.68 2fkx n ARG 16 Ca 0.00 0.84 -0.20 0.00 -0.77 0.00 0.00 57.85 57.72 2fkx n ARG 16 Cb 0.00 -4.75 -0.16 0.00 -1.02 0.00 0.00 32.46 26.53 2fkx n ARG 16 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2fkx s PHE 17 N -2.37 0.79 -0.99 -1.55 0.08 -1.26 -5.06 117.98 107.62 2fkx s PHE 17 Ca 0.00 -0.21 -0.27 0.00 0.12 0.00 0.00 56.93 56.57 2fkx s PHE 17 Cb 0.00 -0.65 -0.24 0.00 -0.57 0.00 0.00 43.02 41.56 2fkx s PHE 17 CO 0.00 -0.16 2.59 -2.30 -0.10 0.00 0.00 175.22 175.25 2fkx n PRO 18 N 3.79 0.02 -2.56 0.24 -0.02 -1.26 -0.55 135.00 134.66 2fkx n PRO 18 Ca -0.23 -0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.07 2fkx n PRO 18 Cb 0.52 -1.45 -0.00 0.00 -0.02 0.00 0.00 33.50 32.55 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 6.30 -0.50 0.51 -1.23 0.00 -1.26 -4.89 105.19 104.11 2fkx n GLY 19 Ca 0.66 0.02 -0.20 0.00 0.00 0.00 0.00 46.02 46.50 2fkx n GLY 19 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2fkx h ASP 20 N -0.24 -1.18 -0.19 1.61 1.82 -1.19 -1.94 116.42 115.10 2fkx h ASP 20 Ca -0.42 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.28 2fkx h ASP 20 Cb 1.30 0.34 0.00 0.00 0.68 0.00 0.00 39.33 41.65 2fkx h ASP 20 CO 0.49 -0.74 0.00 0.41 -1.61 0.00 0.00 179.24 177.78 2fkx n THR 21 N -5.62 0.25 -2.78 2.25 -1.04 -1.26 -4.88 114.28 101.20 2fkx n THR 21 Ca -0.15 -0.35 -0.21 0.00 -2.04 0.00 0.00 64.05 61.30 2fkx n THR 21 Cb 0.49 0.31 0.02 0.00 -1.82 0.00 0.00 70.33 69.33 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 1.09 -0.47 3.87 3.41 0.00 -0.73 -4.98 105.19 107.38 2fkx n GLY 22 Ca 0.15 0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.50 6.56 0.08 1.61 0.01 -1.26 -4.95 113.70 113.24 2fkx s SER 23 Ca 0.19 1.14 0.16 0.00 1.31 0.00 0.00 55.95 58.75 2fkx s SER 23 Cb -0.08 -2.32 -0.12 0.00 0.21 0.00 0.00 66.02 63.70 2fkx s SER 23 CO 0.24 -0.36 0.87 0.74 0.41 0.00 0.00 173.24 175.14 2fkx h THR 24 N 1.24 0.55 -0.71 1.44 2.02 -1.93 -3.31 112.91 112.20 2fkx h THR 24 Ca -0.47 -2.04 0.11 0.00 0.77 0.00 0.00 66.41 64.77 2fkx h THR 24 Cb 1.19 2.08 -0.05 0.00 -1.74 0.00 0.00 68.15 69.63 2fkx h THR 24 CO 0.64 0.31 0.47 -0.33 0.37 0.00 0.00 175.52 176.98 2fkx h GLU 25 N 0.00 0.54 -0.88 6.66 3.07 -1.88 -1.93 114.58 120.15 2fkx h GLU 25 Ca -0.15 -0.03 0.05 0.00 -0.50 0.00 0.00 59.36 58.72 2fkx h GLU 25 Cb 1.58 -0.12 -0.06 0.00 -0.84 0.00 0.00 28.75 29.32 2fkx h GLU 25 CO 0.05 0.35 0.56 -0.24 -1.40 0.00 0.00 179.01 178.33 2fkx h VAL 26 N 0.55 1.09 0.00 3.13 3.04 -1.74 0.50 116.25 122.82 2fkx h VAL 26 Ca 0.33 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.66 2fkx h VAL 26 Cb 0.56 -0.05 0.00 0.00 -2.01 0.00 0.00 31.29 29.79 2fkx h VAL 26 CO -0.11 0.19 -0.29 0.06 -1.01 0.00 0.00 177.57 176.40 2fkx h GLN 27 N 1.05 0.00 -0.00 4.17 3.07 -1.59 -2.60 115.11 119.21 2fkx h GLN 27 Ca 0.37 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.90 2fkx h GLN 27 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.65 2fkx h GLN 27 CO -0.15 0.00 -0.90 0.28 0.09 0.00 0.00 178.83 178.15 2fkx h VAL 28 N 0.00 1.45 -0.56 1.86 2.07 -0.72 0.54 116.25 120.89 2fkx h VAL 28 Ca 0.00 -2.53 -0.10 0.00 0.82 0.00 0.00 66.70 64.89 2fkx h VAL 28 Cb 0.78 2.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 2fkx h VAL 28 CO 0.00 0.74 -0.04 0.00 0.02 0.00 0.00 177.57 178.29 2fkx h ALA 29 N 0.88 0.87 0.00 1.67 0.00 0.20 -1.75 119.26 121.12 2fkx h ALA 29 Ca -0.06 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 2fkx h ALA 29 Cb 1.53 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2fkx h ALA 29 CO 0.15 0.66 -0.28 1.37 0.00 0.00 0.00 179.25 181.14 2fkx h LEU 30 N 0.91 0.00 -0.19 0.00 8.10 -1.43 -2.14 115.31 120.56 2fkx h LEU 30 Ca 0.16 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.13 2fkx h LEU 30 Cb 0.59 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.80 2fkx h LEU 30 CO 0.04 0.28 0.06 0.17 -4.11 0.00 0.00 178.44 174.87 2fkx h LEU 31 N 0.00 0.27 -0.46 0.17 8.10 -0.31 -0.42 115.31 122.67 2fkx h LEU 31 Ca -0.00 -0.20 -0.16 0.00 0.11 0.00 0.00 57.88 57.62 2fkx h LEU 31 Cb 1.13 -0.07 -0.01 0.00 -0.44 0.00 0.00 40.66 41.27 2fkx h LEU 31 CO 0.04 0.41 -0.48 0.74 -4.11 0.00 0.00 178.44 175.04 2fkx h THR 32 N 0.13 1.29 -0.28 0.15 2.02 -1.35 0.40 112.91 115.27 2fkx h THR 32 Ca 0.06 -1.67 -0.03 0.00 0.77 0.00 0.00 66.41 65.54 2fkx h THR 32 Cb 0.23 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 2fkx h THR 32 CO -0.00 0.54 0.06 0.25 0.37 0.00 0.00 175.52 176.74 2fkx h LEU 33 N 0.59 0.43 0.04 2.58 5.85 -1.24 0.31 115.31 123.86 2fkx h LEU 33 Ca 0.03 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 2fkx h LEU 33 Cb 1.04 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.96 2fkx h LEU 33 CO 0.10 0.56 -0.02 0.03 -0.34 0.00 0.00 178.44 178.77 2fkx h ARG 34 N 0.28 -0.05 -0.72 1.25 2.47 -0.96 0.39 114.38 117.03 2fkx h ARG 34 Ca 0.09 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.78 2fkx h ARG 34 Cb 0.30 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.60 2fkx h ARG 34 CO 0.00 0.22 0.34 0.82 0.56 0.00 0.00 179.97 181.92 2fkx h ILE 35 N -0.33 1.24 -0.30 2.04 2.04 -0.88 -0.53 117.51 120.79 2fkx h ILE 35 Ca -0.01 -0.66 -0.18 0.00 1.00 0.00 0.00 64.86 65.02 2fkx h ILE 35 Cb 0.30 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 2fkx h ILE 35 CO 0.01 0.28 -0.50 -1.13 0.00 0.00 0.00 178.15 176.80 2fkx h ASN 36 N 1.00 0.94 1.19 1.72 -1.24 -0.35 -0.31 115.58 118.53 2fkx h ASN 36 Ca 0.25 -0.48 -0.05 0.00 0.71 0.00 0.00 56.30 56.72 2fkx h ASN 36 Cb 0.12 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.89 2fkx h ASN 36 CO -0.03 1.27 -0.25 0.03 -1.29 0.00 0.00 177.43 177.16 2fkx h ARG 37 N 0.67 0.00 0.02 6.67 2.47 -0.71 0.21 114.38 123.70 2fkx h ARG 37 Ca 0.03 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.54 2fkx h ARG 37 Cb 1.10 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.40 2fkx h ARG 37 CO 0.11 0.25 -0.97 -0.07 0.56 0.00 0.00 179.97 179.85 2fkx h LEU 38 N 0.00 0.08 -0.39 3.04 -0.00 -0.97 -0.68 115.31 116.39 2fkx h LEU 38 Ca -0.00 -0.08 -0.12 0.00 -0.00 0.00 0.00 57.88 57.68 2fkx h LEU 38 Cb 0.92 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.54 2fkx h LEU 38 CO 0.03 1.00 -0.23 0.28 -0.00 0.00 0.00 178.44 179.52 2fkx h SER 39 N 0.02 0.87 1.22 -0.43 0.02 -0.25 -0.28 113.55 114.72 2fkx h SER 39 Ca -0.03 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2fkx h SER 39 Cb 1.69 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.99 2fkx h SER 39 CO 0.13 1.10 0.00 -0.33 -1.14 0.00 0.00 176.83 176.60 2fkx h GLU 40 N 0.64 0.00 -0.19 3.45 5.08 -0.58 -0.19 114.58 122.79 2fkx h GLU 40 Ca 0.08 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 2fkx h GLU 40 Cb 0.80 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 2fkx h GLU 40 CO 0.07 0.00 -0.32 1.25 -1.00 0.00 0.00 179.01 179.00 2fkx h HIS 41 N 0.00 0.69 0.00 4.33 2.76 -0.70 -2.89 115.15 119.33 2fkx h HIS 41 Ca 0.00 -0.24 0.00 0.00 -2.20 0.00 0.00 60.37 57.93 2fkx h HIS 41 Cb 0.61 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.44 2fkx h HIS 41 CO 0.00 0.97 0.00 1.28 -1.30 0.00 0.00 177.93 178.88 2fkx n LEU 42 N -4.33 0.00 0.08 0.26 4.77 -0.15 -0.39 117.00 117.24 2fkx n LEU 42 Ca -0.06 0.46 -0.08 0.00 -0.03 0.00 0.00 56.01 56.30 2fkx n LEU 42 Cb 0.49 -0.46 -0.07 0.00 -2.33 0.00 0.00 43.42 41.05 2fkx n LEU 42 CO 0.44 -0.12 0.18 0.11 -1.33 0.00 0.00 177.39 176.67 2fkx h LYS 43 N 0.00 0.07 0.07 3.23 1.57 -0.85 -3.32 116.57 117.34 2fkx h LYS 43 Ca 0.00 -0.10 -0.24 0.00 -1.87 0.00 0.00 60.65 58.45 2fkx h LYS 43 Cb 0.34 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2fkx h LYS 43 CO 0.00 0.97 -1.22 0.28 -0.57 0.00 0.00 179.45 178.91 2fkx h VAL 44 N 0.03 1.08 -4.21 0.50 2.07 -1.35 -3.47 116.25 110.89 2fkx h VAL 44 Ca -0.03 -2.34 -0.45 0.00 0.82 0.00 0.00 66.70 64.69 2fkx h VAL 44 Cb 1.67 2.68 0.14 0.00 -1.52 0.00 0.00 31.29 34.25 2fkx h VAL 44 CO 0.13 0.61 0.35 -1.00 0.02 0.00 0.00 177.57 177.68 2fkx s HIS 45 N -2.42 2.18 -0.30 1.57 3.76 0.47 -5.10 115.29 115.45 2fkx s HIS 45 Ca -0.22 0.64 -0.17 0.00 -0.15 0.00 0.00 55.06 55.16 2fkx s HIS 45 Cb 0.04 -3.63 0.18 0.00 1.11 0.00 0.00 32.58 30.28 2fkx s HIS 45 CO 0.72 -2.43 1.14 -1.59 -0.85 0.00 0.00 174.74 171.72 2fkx s LYS 46 N -5.55 0.17 -1.45 1.40 -2.85 -1.26 -4.75 119.74 105.45 2fkx s LYS 46 Ca 0.67 0.39 -0.03 0.00 -1.00 0.00 0.00 55.97 55.99 2fkx s LYS 46 Cb -0.10 0.18 0.00 0.00 -2.06 0.00 0.00 37.83 35.85 2fkx s LYS 46 CO 0.52 -0.05 0.44 1.63 0.10 0.00 0.00 175.35 177.99 2fkx n LYS 47 N 4.30 -3.83 0.00 1.78 5.02 -1.26 -4.88 118.16 119.28 2fkx n LYS 47 Ca -0.11 0.84 0.14 0.00 -2.02 0.00 0.00 58.31 57.16 2fkx n LYS 47 Cb 0.55 -5.49 0.65 0.00 -0.02 0.00 0.00 35.03 30.72 2fkx n LYS 47 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2fkx n ASP 48 N -1.99 0.00 0.00 4.39 9.92 -1.26 -4.89 116.55 122.72 2fkx n ASP 48 Ca -0.13 0.28 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 2fkx n ASP 48 Cb 0.62 -0.42 0.00 0.00 -0.64 0.00 0.00 41.12 40.68 2fkx n ASP 48 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 2fkx n HIS 49 N -1.42 0.00 0.05 1.24 8.25 -1.26 -4.57 115.22 117.51 2fkx n HIS 49 Ca 0.09 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.48 2fkx n HIS 49 Cb 0.30 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.51 2fkx n HIS 49 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2fkx n HIS 50 N 0.00 1.25 0.14 4.41 8.25 -1.26 -4.49 115.22 123.52 2fkx n HIS 50 Ca 0.00 -0.92 -0.06 0.00 -0.26 0.00 0.00 57.72 56.48 2fkx n HIS 50 Cb 0.00 -0.49 -0.03 0.00 1.12 0.00 0.00 29.99 30.59 2fkx n HIS 50 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2fkx h SER 51 N 0.74 -0.33 -0.44 0.41 0.02 -1.98 -3.34 113.55 108.63 2fkx h SER 51 Ca 0.22 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2fkx h SER 51 Cb 1.67 0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.30 2fkx h SER 51 CO 0.43 -0.13 0.00 1.41 -1.14 0.00 0.00 176.83 177.40 2fkx n HIS 52 N -3.66 0.57 -0.33 3.45 8.25 -1.26 -4.65 115.22 117.59 2fkx n HIS 52 Ca -0.05 -0.29 -0.12 0.00 -0.26 0.00 0.00 57.72 57.01 2fkx n HIS 52 Cb 0.15 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.16 2fkx n HIS 52 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2fkx h ARG 53 N 4.17 -0.12 0.00 -0.41 2.43 -1.81 -1.43 114.38 117.20 2fkx h ARG 53 Ca 0.00 0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 59.00 2fkx h ARG 53 Cb 0.93 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.47 2fkx h ARG 53 CO 0.00 -0.08 -1.39 0.78 -1.51 0.00 0.00 179.97 177.77 2fkx h GLY 54 N -0.12 0.00 2.00 2.80 0.00 -1.84 -3.37 103.07 102.54 2fkx h GLY 54 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 2fkx h GLY 54 CO -0.84 0.00 -0.02 1.41 0.00 0.00 0.00 176.54 177.09 2fkx h LEU 55 N 0.00 0.00 -0.26 3.11 4.07 -1.66 -0.25 115.31 120.32 2fkx h LEU 55 Ca -0.16 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.60 2fkx h LEU 55 Cb 1.61 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.35 2fkx h LEU 55 CO 0.05 0.02 -0.65 -0.07 -1.08 0.00 0.00 178.44 176.71 2fkx h LEU 56 N 0.00 0.94 -0.36 1.67 3.38 -1.44 0.17 115.31 119.66 2fkx h LEU 56 Ca -0.00 -0.55 -0.19 0.00 0.09 0.00 0.00 57.88 57.23 2fkx h LEU 56 Cb 0.37 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2fkx h LEU 56 CO 0.00 1.35 -0.79 0.24 0.09 0.00 0.00 178.44 179.33 2fkx h MET 57 N 0.60 0.33 0.28 1.13 2.86 -1.54 0.51 114.93 119.10 2fkx h MET 57 Ca -0.01 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.31 2fkx h MET 57 Cb 1.26 0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.00 2fkx h MET 57 CO 0.14 0.97 -0.13 0.52 1.06 0.00 0.00 176.91 179.46 2fkx h MET 58 N 0.21 -0.36 -0.50 1.72 2.86 -0.95 -0.78 114.93 117.14 2fkx h MET 58 Ca -0.04 0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 2fkx h MET 58 Cb 1.38 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 33.10 2fkx h MET 58 CO 0.13 -0.12 -0.05 0.28 1.06 0.00 0.00 176.91 178.21 2fkx h VAL 59 N -0.56 1.26 0.31 -2.22 2.07 -0.67 -0.00 116.25 116.44 2fkx h VAL 59 Ca -0.04 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 2fkx h VAL 59 Cb 0.41 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2fkx h VAL 59 CO 0.06 0.40 -0.25 1.23 0.02 0.00 0.00 177.57 179.03 2fkx h GLY 60 N 0.98 -0.60 2.00 2.17 0.00 -0.80 0.16 103.07 106.97 2fkx h GLY 60 Ca 0.14 0.29 -0.08 0.00 0.00 0.00 0.00 47.33 47.68 2fkx h GLY 60 CO 0.03 -0.24 -0.37 -1.61 0.00 0.00 0.00 176.54 174.35 2fkx h GLN 61 N -0.58 0.00 -0.16 4.80 5.75 -1.10 -2.22 115.11 121.61 2fkx h GLN 61 Ca -0.02 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.32 2fkx h GLN 61 Cb 0.51 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.06 2fkx h GLN 61 CO -0.02 0.37 -0.53 -0.09 -2.65 0.00 0.00 178.83 175.91 2fkx h ARG 62 N 0.00 0.65 -0.03 1.69 9.65 -0.64 0.66 114.38 126.35 2fkx h ARG 62 Ca -0.00 -0.48 -0.13 0.00 -1.10 0.00 0.00 59.98 58.26 2fkx h ARG 62 Cb 0.89 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.54 2fkx h ARG 62 CO 0.05 1.10 -0.60 -0.09 2.80 0.00 0.00 179.97 183.23 2fkx h ARG 63 N 0.32 0.11 -0.44 0.20 2.43 -0.63 0.42 114.38 116.79 2fkx h ARG 63 Ca -0.02 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 58.97 2fkx h ARG 63 Cb 1.16 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 2fkx h ARG 63 CO 0.11 0.67 -0.16 0.00 -1.51 0.00 0.00 179.97 179.08 2fkx h ARG 64 N 0.08 0.84 -0.36 0.20 3.08 -1.24 -0.06 114.38 116.92 2fkx h ARG 64 Ca -0.01 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 59.71 2fkx h ARG 64 Cb 1.07 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.05 2fkx h ARG 64 CO 0.08 0.95 0.14 1.25 -1.07 0.00 0.00 179.97 181.32 2fkx h LEU 65 N 0.75 0.51 -0.41 3.04 5.85 -0.46 0.18 115.31 124.76 2fkx h LEU 65 Ca 0.11 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 2fkx h LEU 65 Cb 0.68 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 2fkx h LEU 65 CO 0.05 0.54 0.20 -0.07 -0.34 0.00 0.00 178.44 178.83 2fkx h LEU 66 N 0.44 0.53 -0.02 2.25 3.38 -0.65 0.19 115.31 121.42 2fkx h LEU 66 Ca 0.12 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2fkx h LEU 66 Cb 0.20 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2fkx h LEU 66 CO -0.01 0.49 0.00 0.54 0.09 0.00 0.00 178.44 179.55 2fkx n ARG 67 N -4.70 0.04 0.01 1.13 1.74 -0.06 -1.35 116.66 113.47 2fkx n ARG 67 Ca 0.00 0.08 -0.19 0.00 -0.77 0.00 0.00 57.85 56.98 2fkx n ARG 67 Cb 0.10 -1.55 -0.14 0.00 -1.02 0.00 0.00 32.46 29.85 2fkx n ARG 67 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 2fkx h TYR 68 N 0.00 0.37 -0.41 -1.55 3.20 -0.22 -3.33 116.97 115.02 2fkx h TYR 68 Ca 0.00 -0.27 -0.05 0.00 3.14 0.00 0.00 58.73 61.55 2fkx h TYR 68 Cb 0.48 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 2fkx h TYR 68 CO 0.00 1.27 0.05 -0.07 -1.64 0.00 0.00 178.16 177.77 2fkx h LEU 69 N -0.55 0.59 -2.16 2.82 -0.00 -0.46 -1.97 115.31 113.57 2fkx h LEU 69 Ca -0.14 -0.11 0.02 0.00 -0.00 0.00 0.00 57.88 57.65 2fkx h LEU 69 Cb 1.48 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 41.98 2fkx h LEU 69 CO 0.08 0.63 0.05 0.06 -0.00 0.00 0.00 178.44 179.26 2fkx h GLN 70 N 0.61 0.00 0.01 1.13 3.07 -1.34 -0.05 115.11 118.54 2fkx h GLN 70 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.87 2fkx h GLN 70 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.88 2fkx h GLN 70 CO 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 178.83 178.92 2fkx h ARG 71 N 0.00 -0.02 -0.47 0.06 2.47 -1.47 -3.12 114.38 111.83 2fkx h ARG 71 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2fkx h ARG 71 Cb 0.13 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 2fkx h ARG 71 CO -0.00 0.47 0.00 0.39 0.56 0.00 0.00 179.97 181.39 2fkx n GLU 72 N -4.71 2.07 -2.88 0.04 1.02 -1.06 -4.39 120.64 110.72 2fkx n GLU 72 Ca -0.05 -1.31 0.00 0.00 -0.02 0.00 0.00 57.16 55.79 2fkx n GLU 72 Cb 0.24 -1.42 0.01 0.00 -0.02 0.00 0.00 31.44 30.24 2fkx n GLU 72 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2fkx s ASP 73 N -0.83 -0.76 0.31 1.62 -1.08 -0.05 -5.04 116.67 110.84 2fkx s ASP 73 Ca 0.24 -0.49 0.24 0.00 -0.52 0.00 0.00 52.55 52.02 2fkx s ASP 73 Cb 0.14 0.98 1.13 0.00 -1.46 0.00 0.00 42.92 43.71 2fkx s ASP 73 CO 0.14 -0.07 1.73 1.55 0.52 0.00 0.00 175.17 179.04 2fkx h PRO 74 N 5.69 0.00 0.05 4.34 0.13 -1.71 -1.79 132.00 138.71 2fkx h PRO 74 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.84 2fkx h PRO 74 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2fkx h PRO 74 CO -0.02 0.00 -1.55 1.49 -0.23 0.00 0.00 178.00 177.69 2fkx h GLU 75 N 0.00 0.10 -0.04 0.86 4.81 -1.89 -3.35 114.58 115.07 2fkx h GLU 75 Ca 0.00 -0.17 -0.05 0.00 -0.13 0.00 0.00 59.36 59.00 2fkx h GLU 75 Cb 0.22 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2fkx h GLU 75 CO 0.00 0.85 -0.23 0.00 -0.73 0.00 0.00 179.01 178.89 2fkx h ARG 76 N 0.03 0.06 0.25 1.92 3.08 -1.61 0.41 114.38 118.52 2fkx h ARG 76 Ca -0.23 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 2fkx h ARG 76 Cb 1.97 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 32.02 2fkx h ARG 76 CO 0.11 0.30 -0.12 -0.92 -1.07 0.00 0.00 179.97 178.27 2fkx h TYR 77 N 0.06 -0.32 -0.30 3.04 3.20 -1.68 0.34 116.97 121.31 2fkx h TYR 77 Ca 0.01 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2fkx h TYR 77 Cb 0.45 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 2fkx h TYR 77 CO 0.00 -0.10 0.13 0.00 -1.64 0.00 0.00 178.16 176.56 2fkx h ARG 78 N -0.48 0.44 0.00 1.82 3.08 -1.64 -2.22 114.38 115.39 2fkx h ARG 78 Ca -0.03 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.83 2fkx h ARG 78 Cb 0.36 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 2fkx h ARG 78 CO 0.06 0.44 -0.54 0.00 -1.07 0.00 0.00 179.97 178.85 2fkx h ALA 79 N 0.98 0.70 0.00 0.04 0.00 -0.18 -2.09 119.26 118.71 2fkx h ALA 79 Ca 0.10 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 2fkx h ALA 79 Cb 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2fkx h ALA 79 CO -0.01 0.68 -0.56 -0.07 0.00 0.00 0.00 179.25 179.29 2fkx h LEU 80 N 0.00 0.00 -0.13 0.00 3.38 -0.82 0.34 115.31 118.08 2fkx h LEU 80 Ca -0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2fkx h LEU 80 Cb 1.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 2fkx h LEU 80 CO 0.07 0.56 -0.65 0.16 0.09 0.00 0.00 178.44 178.67 2fkx h ILE 81 N 0.00 1.16 0.14 1.22 -0.00 -1.21 -1.62 117.51 117.19 2fkx h ILE 81 Ca -0.01 -2.52 -0.30 0.00 -0.00 0.00 0.00 64.86 62.03 2fkx h ILE 81 Cb 1.21 2.49 0.00 0.00 -0.00 0.00 0.00 36.82 40.52 2fkx h ILE 81 CO 0.07 0.64 -1.47 -0.33 -0.00 0.00 0.00 178.15 177.06 2fkx h GLU 82 N 0.00 0.29 -0.03 0.16 5.08 -1.24 0.23 114.58 119.06 2fkx h GLU 82 Ca -0.01 -0.50 -0.15 0.00 -1.00 0.00 0.00 59.36 57.70 2fkx h GLU 82 Cb 1.44 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.86 2fkx h GLU 82 CO 0.08 1.19 -0.66 -0.22 -1.00 0.00 0.00 179.01 178.41 2fkx h LYS 83 N 0.08 0.15 0.10 2.33 3.64 -0.30 -2.90 116.57 119.67 2fkx h LYS 83 Ca -0.22 -0.11 -0.27 0.00 -1.27 0.00 0.00 60.65 58.77 2fkx h LYS 83 Cb 2.03 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.86 2fkx h LYS 83 CO 0.19 0.75 -1.30 -0.07 -2.27 0.00 0.00 179.45 176.75 2fkx h LEU 84 N 0.10 0.34 -0.65 5.20 3.38 -1.42 -3.49 115.31 118.78 2fkx h LEU 84 Ca -0.01 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2fkx h LEU 84 Cb 1.18 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2fkx h LEU 84 CO 0.10 1.32 0.00 0.61 0.09 0.00 0.00 178.44 180.55 2fkx n GLY 85 N 1.54 0.49 0.11 0.83 0.00 -0.80 -5.01 105.19 102.35 2fkx n GLY 85 Ca -0.09 -0.16 0.02 0.00 0.00 0.00 0.00 46.02 45.78 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 0.59 0.10 -0.61 2.04 -0.85 -3.37 117.51 115.40 2fkx h ILE 86 Ca 0.00 -2.00 -0.00 0.00 1.00 0.00 0.00 64.86 63.85 2fkx h ILE 86 Cb 0.32 2.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 2fkx h ILE 86 CO 0.00 0.34 -0.05 0.03 0.00 0.00 0.00 178.15 178.47 2fkx h ARG 87 N 0.00 -0.13 0.00 2.37 3.08 -1.93 -3.51 114.38 114.26 2fkx h ARG 87 Ca -0.10 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2fkx h ARG 87 Cb 1.48 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.56 2fkx h ARG 87 CO 0.05 -0.09 0.00 0.41 -1.07 0.00 0.00 179.97 179.27