#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 3.08 0.44 4.25 -1.09 -1.26 -5.12 121.20 121.50 2fkx s ILE 2 Ca 0.00 -1.18 -0.16 0.00 -2.23 0.00 0.00 60.65 57.08 2fkx s ILE 2 Cb 0.00 -2.36 -0.08 0.00 -1.58 0.00 0.00 42.46 38.44 2fkx s ILE 2 CO 0.00 0.26 0.88 -0.89 -1.23 0.00 0.00 174.94 173.96 2fkx s THR 3 N -1.04 4.60 0.22 2.92 2.01 -1.26 -4.93 115.64 118.15 2fkx s THR 3 Ca 0.17 1.07 -0.09 0.00 0.31 0.00 0.00 61.69 63.15 2fkx s THR 3 Cb -0.11 -3.68 0.16 0.00 0.01 0.00 0.00 72.50 68.88 2fkx s THR 3 CO 0.08 -0.49 1.86 0.11 -0.69 0.00 0.00 174.62 175.48 2fkx h LYS 4 N 1.41 0.89 0.00 4.92 1.57 -1.99 0.47 116.57 123.84 2fkx h LYS 4 Ca -0.47 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 2fkx h LYS 4 Cb 1.18 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.29 2fkx h LYS 4 CO 0.63 0.59 0.00 0.39 -0.57 0.00 0.00 179.45 180.49 2fkx n GLU 5 N -4.63 0.17 0.11 3.15 -0.58 -1.26 -1.81 120.64 115.78 2fkx n GLU 5 Ca 0.08 0.24 0.03 0.00 -0.42 0.00 0.00 57.16 57.09 2fkx n GLU 5 Cb 0.09 -1.74 -0.01 0.00 -0.57 0.00 0.00 31.44 29.21 2fkx n GLU 5 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2fkx h GLU 6 N 0.00 0.00 0.07 3.49 4.39 -1.41 -0.36 114.58 120.75 2fkx h GLU 6 Ca 0.00 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.44 2fkx h GLU 6 Cb 0.54 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2fkx h GLU 6 CO 0.00 0.39 -1.11 -0.22 -1.16 0.00 0.00 179.01 176.91 2fkx h LYS 7 N 0.00 0.43 -0.02 2.33 3.64 -0.20 0.62 116.57 123.38 2fkx h LYS 7 Ca -0.05 -0.56 -0.00 0.00 -1.27 0.00 0.00 60.65 58.77 2fkx h LYS 7 Cb 1.41 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 33.41 2fkx h LYS 7 CO 0.05 1.21 -0.00 1.96 -2.27 0.00 0.00 179.45 180.40 2fkx h GLN 8 N 0.20 0.03 -0.29 1.90 1.08 -1.34 -2.26 115.11 114.43 2fkx h GLN 8 Ca -0.12 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.08 2fkx h GLN 8 Cb 1.78 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.18 2fkx h GLN 8 CO 0.20 0.35 0.14 -0.22 -0.95 0.00 0.00 178.83 178.35 2fkx h LYS 9 N -0.29 0.29 -0.26 1.46 3.64 -1.06 0.21 116.57 120.56 2fkx h LYS 9 Ca 0.00 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 2fkx h LYS 9 Cb 0.34 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2fkx h LYS 9 CO 0.00 0.19 -0.08 0.28 -2.27 0.00 0.00 179.45 177.58 2fkx h VAL 10 N 0.30 1.29 -0.23 2.00 2.07 -0.91 -1.07 116.25 119.70 2fkx h VAL 10 Ca 0.12 -1.11 -0.15 0.00 0.82 0.00 0.00 66.70 66.38 2fkx h VAL 10 Cb 0.03 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2fkx h VAL 10 CO -0.08 0.35 -0.48 0.40 0.02 0.00 0.00 177.57 177.77 2fkx h ILE 11 N 0.25 1.31 0.00 4.57 5.03 -1.30 -2.59 117.51 124.78 2fkx h ILE 11 Ca 0.06 -1.69 0.00 0.00 -0.12 0.00 0.00 64.86 63.11 2fkx h ILE 11 Cb 0.55 1.65 0.00 0.00 -3.03 0.00 0.00 36.82 36.00 2fkx h ILE 11 CO 0.03 0.53 0.00 1.56 -0.68 0.00 0.00 178.15 179.59 2fkx h GLN 12 N 0.49 0.00 0.05 2.37 4.20 -0.58 0.47 115.11 122.10 2fkx h GLN 12 Ca 0.02 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 2fkx h GLN 12 Cb 1.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.80 2fkx h GLN 12 CO 0.10 0.00 -0.02 1.49 -0.67 0.00 0.00 178.83 179.72 2fkx h GLU 13 N 0.00 -0.06 0.00 1.46 4.22 -0.92 -3.41 114.58 115.88 2fkx h GLU 13 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2fkx h GLU 13 Cb 0.86 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2fkx h GLU 13 CO 0.00 0.45 0.00 1.19 -2.18 0.00 0.00 179.01 178.47 2fkx n PHE 14 N -4.87 0.00 -1.42 0.92 3.72 -1.00 -4.94 117.46 109.87 2fkx n PHE 14 Ca -0.09 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.98 2fkx n PHE 14 Cb 0.27 -0.34 0.09 0.00 -0.94 0.00 0.00 39.48 38.55 2fkx n PHE 14 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2fkx s ALA 15 N -3.14 2.15 -1.15 4.37 0.00 0.16 -4.83 121.76 119.32 2fkx s ALA 15 Ca 0.00 0.72 0.15 0.00 0.00 0.00 0.00 51.96 52.83 2fkx s ALA 15 Cb 0.00 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 2fkx s ALA 15 CO 0.00 -1.81 0.75 0.54 0.00 0.00 0.00 175.76 175.24 2fkx n ARG 16 N -2.86 1.93 -3.59 0.00 1.74 0.18 -4.20 116.66 109.86 2fkx n ARG 16 Ca 0.12 -0.53 -0.10 0.00 -0.77 0.00 0.00 57.85 56.57 2fkx n ARG 16 Cb 0.51 -1.22 -0.06 0.00 -1.02 0.00 0.00 32.46 30.68 2fkx n ARG 16 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2fkx s PHE 17 N -1.97 -0.39 -0.56 -1.55 5.36 -0.93 -4.97 117.98 112.97 2fkx s PHE 17 Ca 0.10 0.74 -0.26 0.00 -0.96 0.00 0.00 56.93 56.55 2fkx s PHE 17 Cb 0.12 0.43 -0.09 0.00 -0.34 0.00 0.00 43.02 43.14 2fkx s PHE 17 CO 0.44 -0.32 2.43 -0.35 -1.46 0.00 0.00 175.22 175.96 2fkx n PRO 18 N 1.04 0.92 0.00 10.12 -0.04 -1.26 -0.67 135.00 145.10 2fkx n PRO 18 Ca -0.11 -0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 2fkx n PRO 18 Cb 0.57 -3.37 0.00 0.00 -0.04 0.00 0.00 33.50 30.66 2fkx n PRO 18 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2fkx n GLY 19 N 6.14 3.50 3.46 0.55 0.00 -1.26 -4.98 105.19 112.59 2fkx n GLY 19 Ca 0.40 -1.03 -0.44 0.00 0.00 0.00 0.00 46.02 44.95 2fkx n GLY 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2fkx s ASP 20 N 0.00 7.04 0.13 1.61 1.11 0.15 -4.62 116.67 122.09 2fkx s ASP 20 Ca 0.00 -2.94 0.15 0.00 0.18 0.00 0.00 52.55 49.94 2fkx s ASP 20 Cb 0.00 -2.39 -0.09 0.00 1.07 0.00 0.00 42.92 41.51 2fkx s ASP 20 CO 0.00 -0.75 1.06 0.71 1.18 0.00 0.00 175.17 177.37 2fkx h THR 21 N 4.72 0.79 0.00 -1.27 1.35 -1.92 0.52 112.91 117.09 2fkx h THR 21 Ca 0.29 -2.29 0.00 0.00 -0.55 0.00 0.00 66.41 63.86 2fkx h THR 21 Cb 0.89 2.29 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 2fkx h THR 21 CO 1.22 0.45 0.00 0.61 -0.25 0.00 0.00 175.52 177.55 2fkx n GLY 22 N 1.35 2.11 3.99 5.82 0.00 -1.26 -3.78 105.19 113.43 2fkx n GLY 22 Ca -0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.99 2fkx n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2fkx s SER 23 N -2.05 0.01 0.05 1.61 1.04 -1.26 -5.05 113.70 108.05 2fkx s SER 23 Ca 0.00 -0.23 -0.21 0.00 0.48 0.00 0.00 55.95 56.00 2fkx s SER 23 Cb 0.00 0.16 -0.13 0.00 0.10 0.00 0.00 66.02 66.15 2fkx s SER 23 CO 0.00 -0.32 1.41 0.74 0.98 0.00 0.00 173.24 176.04 2fkx h THR 24 N 2.00 1.31 -0.57 2.02 2.02 -2.00 -3.27 112.91 114.42 2fkx h THR 24 Ca -0.22 -1.10 0.11 0.00 0.77 0.00 0.00 66.41 65.97 2fkx h THR 24 Cb 1.19 1.71 -0.11 0.00 -1.74 0.00 0.00 68.15 69.19 2fkx h THR 24 CO 0.32 0.32 -0.23 -0.33 0.37 0.00 0.00 175.52 175.97 2fkx h GLU 25 N -0.00 -0.09 -0.81 6.66 3.07 -1.97 0.58 114.58 122.02 2fkx h GLU 25 Ca 0.04 0.01 0.06 0.00 -0.50 0.00 0.00 59.36 58.96 2fkx h GLU 25 Cb 0.54 0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.42 2fkx h GLU 25 CO 0.02 -0.06 0.53 0.28 -1.40 0.00 0.00 179.01 178.38 2fkx h VAL 26 N -0.09 1.05 0.00 3.13 2.07 -1.88 0.70 116.25 121.23 2fkx h VAL 26 Ca 0.26 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 2fkx h VAL 26 Cb 0.50 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2fkx h VAL 26 CO -0.64 0.16 -0.44 1.56 0.02 0.00 0.00 177.57 178.24 2fkx h GLN 27 N 0.89 0.00 0.00 1.57 4.20 -1.00 -0.87 115.11 119.90 2fkx h GLN 27 Ca 0.35 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.88 2fkx h GLN 27 Cb 0.21 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 2fkx h GLN 27 CO -0.12 0.44 -0.84 0.28 -0.67 0.00 0.00 178.83 177.92 2fkx h VAL 28 N 0.00 1.58 -0.37 -0.54 2.07 -0.09 0.20 116.25 119.10 2fkx h VAL 28 Ca -0.00 -2.80 -0.05 0.00 0.82 0.00 0.00 66.70 64.67 2fkx h VAL 28 Cb 1.22 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 33.49 2fkx h VAL 28 CO 0.06 0.80 0.03 0.00 0.02 0.00 0.00 177.57 178.48 2fkx h ALA 29 N 1.13 0.50 0.00 1.67 0.00 -0.45 0.68 119.26 122.79 2fkx h ALA 29 Ca -0.02 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 2fkx h ALA 29 Cb 1.47 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2fkx h ALA 29 CO 0.11 0.23 -0.58 1.37 0.00 0.00 0.00 179.25 180.38 2fkx h LEU 30 N 0.46 0.00 -0.30 0.00 8.10 -1.11 -1.94 115.31 120.52 2fkx h LEU 30 Ca 0.11 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 58.02 2fkx h LEU 30 Cb 0.41 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.62 2fkx h LEU 30 CO 0.01 0.58 -0.10 0.17 -4.11 0.00 0.00 178.44 174.99 2fkx h LEU 31 N 0.00 0.61 -0.78 0.17 8.10 -0.26 0.03 115.31 123.19 2fkx h LEU 31 Ca -0.01 -0.38 -0.07 0.00 0.11 0.00 0.00 57.88 57.53 2fkx h LEU 31 Cb 1.22 -0.17 -0.03 0.00 -0.44 0.00 0.00 40.66 41.25 2fkx h LEU 31 CO 0.08 0.86 0.14 0.74 -4.11 0.00 0.00 178.44 176.14 2fkx h THR 32 N 0.37 1.26 -0.40 0.15 2.02 -0.82 0.14 112.91 115.62 2fkx h THR 32 Ca 0.07 -0.97 -0.00 0.00 0.77 0.00 0.00 66.41 66.28 2fkx h THR 32 Cb 0.60 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 2fkx h THR 32 CO 0.04 0.37 0.24 0.25 0.37 0.00 0.00 175.52 176.78 2fkx h LEU 33 N 1.00 0.48 -0.21 2.58 5.85 -1.13 0.16 115.31 124.04 2fkx h LEU 33 Ca 0.21 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2fkx h LEU 33 Cb 0.38 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2fkx h LEU 33 CO 0.01 0.39 0.08 -0.09 -0.34 0.00 0.00 178.44 178.48 2fkx h ARG 34 N 0.52 0.31 -0.76 1.25 9.65 -0.55 -1.82 114.38 122.99 2fkx h ARG 34 Ca 0.14 -0.06 0.09 0.00 -1.10 0.00 0.00 59.98 59.06 2fkx h ARG 34 Cb -0.00 -0.05 -0.07 0.00 -1.39 0.00 0.00 29.97 28.46 2fkx h ARG 34 CO -0.03 0.38 0.40 0.82 2.80 0.00 0.00 179.97 184.34 2fkx h ILE 35 N 0.18 0.87 0.10 1.20 1.08 -0.42 0.46 117.51 120.99 2fkx h ILE 35 Ca 0.07 -0.23 -0.01 0.00 -0.39 0.00 0.00 64.86 64.30 2fkx h ILE 35 Cb 0.18 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.07 2fkx h ILE 35 CO -0.01 0.12 -0.05 -1.13 -0.69 0.00 0.00 178.15 176.40 2fkx h ASN 36 N 0.68 -0.12 0.70 1.72 -0.73 -0.80 -1.73 115.58 115.31 2fkx h ASN 36 Ca 0.37 -0.09 -0.12 0.00 1.87 0.00 0.00 56.30 58.33 2fkx h ASN 36 Cb 0.37 0.03 -0.02 0.00 0.27 0.00 0.00 38.32 38.98 2fkx h ASN 36 CO -0.26 0.02 -0.56 -0.09 -0.37 0.00 0.00 177.43 176.17 2fkx h ARG 37 N -0.25 0.00 -0.55 6.67 2.43 -0.87 -2.68 114.38 119.12 2fkx h ARG 37 Ca -0.01 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 2fkx h ARG 37 Cb 0.20 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 2fkx h ARG 37 CO 0.02 0.56 -0.05 1.25 -1.51 0.00 0.00 179.97 180.24 2fkx h LEU 38 N 0.00 0.97 -0.22 3.80 5.85 0.04 0.29 115.31 126.04 2fkx h LEU 38 Ca -0.01 -0.29 -0.07 0.00 0.84 0.00 0.00 57.88 58.35 2fkx h LEU 38 Cb 1.06 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 2fkx h LEU 38 CO 0.07 1.06 -0.14 0.28 -0.34 0.00 0.00 178.44 179.37 2fkx h SER 39 N 0.89 0.50 0.87 1.25 0.02 -1.09 -2.34 113.55 113.65 2fkx h SER 39 Ca 0.15 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 2fkx h SER 39 Cb 0.60 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.00 2fkx h SER 39 CO 0.04 0.83 0.00 -1.84 -1.14 0.00 0.00 176.83 174.71 2fkx n GLU 40 N -4.49 0.09 0.00 3.45 0.28 -1.03 -1.70 120.64 117.24 2fkx n GLU 40 Ca -0.05 0.21 -0.13 0.00 -0.16 0.00 0.00 57.16 57.03 2fkx n GLU 40 Cb 0.36 -1.63 -0.10 0.00 1.43 0.00 0.00 31.44 31.50 2fkx n GLU 40 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2fkx h HIS 41 N 0.00 -0.06 0.00 -1.84 2.76 -0.66 -3.19 115.15 112.16 2fkx h HIS 41 Ca 0.00 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 2fkx h HIS 41 Cb 0.43 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 2fkx h HIS 41 CO 0.00 0.46 -0.20 -0.07 -1.30 0.00 0.00 177.93 176.82 2fkx h LEU 42 N -0.63 0.00 0.00 0.26 3.38 -0.94 0.40 115.31 117.77 2fkx h LEU 42 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2fkx h LEU 42 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2fkx h LEU 42 CO 0.01 0.20 0.00 0.29 0.09 0.00 0.00 178.44 179.04 2fkx n LYS 43 N -4.23 0.69 0.00 1.13 5.02 -0.69 -3.01 118.16 117.06 2fkx n LYS 43 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2fkx n LYS 43 Cb 0.27 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 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 -0.89 0.00 -0.55 -0.18 0.31 -0.80 -4.80 118.33 111.42 2fkx n VAL 44 Ca 0.13 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.43 2fkx n VAL 44 Cb 0.06 -0.70 -0.03 0.00 -0.91 0.00 0.00 33.84 32.26 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 -2.45 0.00 0.84 3.52 8.25 0.13 -4.30 115.22 121.22 2fkx n HIS 45 Ca 0.00 -0.99 0.11 0.00 -0.26 0.00 0.00 57.72 56.58 2fkx n HIS 45 Cb 0.31 -0.69 0.51 0.00 1.12 0.00 0.00 29.99 31.23 2fkx n HIS 45 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2fkx n LYS 46 N 1.77 0.06 0.00 -0.41 5.02 -1.18 -1.16 118.16 122.26 2fkx n LYS 46 Ca 0.08 0.10 0.14 0.00 -2.02 0.00 0.00 58.31 56.61 2fkx n LYS 46 Cb 0.53 -1.50 0.56 0.00 -0.02 0.00 0.00 35.03 34.60 2fkx n LYS 46 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2fkx n LYS 47 N -1.46 0.67 0.00 1.97 2.85 -1.26 -4.57 118.16 116.35 2fkx n LYS 47 Ca 0.06 -0.26 0.00 0.00 -1.05 0.00 0.00 58.31 57.06 2fkx n LYS 47 Cb 0.25 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.14 2fkx n LYS 47 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2fkx n ASP 48 N -0.94 0.00 -1.11 -5.58 2.03 -0.31 -5.15 116.55 105.50 2fkx n ASP 48 Ca 0.13 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.58 2fkx n ASP 48 Cb 0.29 -0.03 -0.06 0.00 -0.72 0.00 0.00 41.12 40.60 2fkx n ASP 48 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2fkx n HIS 49 N -1.43 -2.93 -1.35 -0.67 8.25 -0.44 -4.89 115.22 111.76 2fkx n HIS 49 Ca 0.00 1.58 -0.11 0.00 -0.26 0.00 0.00 57.72 58.93 2fkx n HIS 49 Cb 0.00 -2.67 -0.05 0.00 1.12 0.00 0.00 29.99 28.40 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 -3.85 -0.02 1.75 4.41 8.25 -1.26 -4.84 115.22 119.67 2fkx n HIS 50 Ca -0.05 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.55 2fkx n HIS 50 Cb 0.52 -2.13 0.83 0.00 1.12 0.00 0.00 29.99 30.34 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 0.17 0.00 -1.26 0.41 7.64 -1.26 -1.48 113.62 117.83 2fkx n SER 51 Ca -0.11 -0.87 0.09 0.00 1.01 0.00 0.00 58.87 58.99 2fkx n SER 51 Cb 0.38 -0.00 0.30 0.00 -1.01 0.00 0.00 64.21 63.87 2fkx n SER 51 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2fkx n HIS 52 N -1.00 1.13 -0.03 1.43 -0.00 -1.26 -4.74 115.22 110.74 2fkx n HIS 52 Ca 0.21 -0.61 -0.06 0.00 0.46 0.00 0.00 57.72 57.72 2fkx n HIS 52 Cb 0.10 -0.17 -0.04 0.00 -0.12 0.00 0.00 29.99 29.75 2fkx n HIS 52 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 2fkx h ARG 53 N 3.39 -0.20 -0.00 1.57 2.43 -1.65 -1.11 114.38 118.80 2fkx h ARG 53 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2fkx h ARG 53 Cb 1.23 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 2fkx h ARG 53 CO 0.15 -0.13 -0.03 0.41 -1.51 0.00 0.00 179.97 178.86 2fkx n GLY 54 N -1.17 -0.73 0.80 2.80 0.00 -1.26 -3.33 105.19 102.30 2fkx n GLY 54 Ca -0.02 -0.28 0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.69 2.39 -0.05 0.99 7.99 -0.49 -3.80 117.00 123.35 2fkx n LEU 55 Ca 0.20 -1.05 -0.14 0.00 -0.01 0.00 0.00 56.01 55.01 2fkx n LEU 55 Cb 0.23 -0.19 -0.02 0.00 -0.11 0.00 0.00 43.42 43.33 2fkx n LEU 55 CO 0.19 0.52 0.42 -0.07 -1.51 0.00 0.00 177.39 176.95 2fkx h LEU 56 N 3.02 0.87 -0.61 2.23 3.38 -1.38 0.22 115.31 123.04 2fkx h LEU 56 Ca 0.00 -0.48 -0.09 0.00 0.09 0.00 0.00 57.88 57.40 2fkx h LEU 56 Cb 0.67 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2fkx h LEU 56 CO 0.00 1.26 0.05 -0.03 0.09 0.00 0.00 178.44 179.81 2fkx h MET 57 N 0.59 1.05 -0.43 1.13 4.05 -1.84 -2.38 114.93 117.09 2fkx h MET 57 Ca 0.00 -0.31 -0.10 0.00 -0.28 0.00 0.00 59.70 59.01 2fkx h MET 57 Cb 1.17 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.85 2fkx h MET 57 CO 0.12 1.01 -0.12 1.98 0.23 0.00 0.00 176.91 180.12 2fkx h MET 58 N 0.96 0.85 -0.76 0.39 1.85 -1.65 -0.57 114.93 116.01 2fkx h MET 58 Ca 0.18 -0.34 -0.05 0.00 -0.61 0.00 0.00 59.70 58.89 2fkx h MET 58 Cb 0.50 -0.04 -0.03 0.00 0.43 0.00 0.00 31.60 32.45 2fkx h MET 58 CO 0.02 0.97 0.29 -0.24 -0.40 0.00 0.00 176.91 177.56 2fkx h VAL 59 N 0.68 1.25 -0.24 -5.77 3.04 -0.52 -1.24 116.25 113.45 2fkx h VAL 59 Ca 0.11 -0.81 -0.08 0.00 -1.01 0.00 0.00 66.70 64.91 2fkx h VAL 59 Cb 0.67 0.36 -0.01 0.00 -2.01 0.00 0.00 31.29 30.29 2fkx h VAL 59 CO 0.05 0.33 -0.18 1.23 -1.01 0.00 0.00 177.57 177.98 2fkx h GLY 60 N 1.13 0.46 1.18 3.17 0.00 -1.22 -2.16 103.07 105.63 2fkx h GLY 60 Ca 0.25 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 47.14 2fkx h GLY 60 CO -0.02 0.31 -0.12 1.46 0.00 0.00 0.00 176.54 178.17 2fkx h GLN 61 N 0.39 0.96 -0.34 4.80 1.08 -0.22 -2.25 115.11 119.52 2fkx h GLN 61 Ca 0.07 -0.35 -0.04 0.00 -1.45 0.00 0.00 58.65 56.88 2fkx h GLN 61 Cb 0.54 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.90 2fkx h GLN 61 CO 0.04 1.02 0.08 -0.09 -0.95 0.00 0.00 178.83 178.92 2fkx h ARG 62 N 0.85 0.56 -0.39 1.46 1.12 -0.95 0.73 114.38 117.75 2fkx h ARG 62 Ca 0.13 -0.14 -0.04 0.00 -1.11 0.00 0.00 59.98 58.83 2fkx h ARG 62 Cb 0.67 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 30.54 2fkx h ARG 62 CO 0.05 0.61 0.09 0.00 -3.11 0.00 0.00 179.97 177.61 2fkx h ARG 63 N 0.40 0.58 0.00 0.20 3.08 -1.28 -2.92 114.38 114.44 2fkx h ARG 63 Ca 0.11 -0.10 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 2fkx h ARG 63 Cb 0.31 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 2fkx h ARG 63 CO 0.00 0.54 -2.10 0.54 -1.07 0.00 0.00 179.97 177.88 2fkx n ARG 64 N -4.32 0.67 0.14 0.04 1.74 -0.86 -4.31 116.66 109.76 2fkx n ARG 64 Ca 0.02 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2fkx n ARG 64 Cb 0.20 -1.58 0.29 0.00 -1.02 0.00 0.00 32.46 30.35 2fkx n ARG 64 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2fkx h LEU 65 N 0.00 0.10 -1.34 0.55 5.85 0.49 -2.05 115.31 118.92 2fkx h LEU 65 Ca -0.33 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.31 2fkx h LEU 65 Cb 1.79 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.78 2fkx h LEU 65 CO 0.03 0.49 -0.02 0.17 -0.34 0.00 0.00 178.44 178.77 2fkx h LEU 66 N 0.08 0.39 0.13 2.25 8.10 -1.70 0.14 115.31 124.70 2fkx h LEU 66 Ca 0.01 -0.07 -0.27 0.00 0.11 0.00 0.00 57.88 57.66 2fkx h LEU 66 Cb 0.74 -0.10 0.03 0.00 -0.44 0.00 0.00 40.66 40.89 2fkx h LEU 66 CO 0.06 0.47 -1.13 -0.09 -4.11 0.00 0.00 178.44 173.64 2fkx h ARG 67 N 0.40 0.53 0.01 0.17 9.65 -1.66 -1.94 114.38 121.55 2fkx h ARG 67 Ca 0.09 -0.75 -0.00 0.00 -1.10 0.00 0.00 59.98 58.22 2fkx h ARG 67 Cb 0.30 0.25 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 2fkx h ARG 67 CO 0.01 1.33 -0.00 -0.92 2.80 0.00 0.00 179.97 183.19 2fkx h TYR 68 N 0.09 -0.01 -0.61 2.20 3.20 -1.11 -1.82 116.97 118.91 2fkx h TYR 68 Ca -0.18 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.66 2fkx h TYR 68 Cb 1.84 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 40.08 2fkx h TYR 68 CO 0.14 0.19 0.25 1.25 -1.64 0.00 0.00 178.16 178.34 2fkx h LEU 69 N -0.21 0.85 -0.85 2.82 5.85 -0.83 -1.89 115.31 121.05 2fkx h LEU 69 Ca -0.00 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.57 2fkx h LEU 69 Cb 0.20 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 2fkx h LEU 69 CO 0.00 0.79 0.55 -0.61 -0.34 0.00 0.00 178.44 178.83 2fkx h GLN 70 N 0.86 1.07 -0.02 1.25 4.15 -1.26 -0.81 115.11 120.34 2fkx h GLN 70 Ca 0.20 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.52 2fkx h GLN 70 Cb 0.20 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.66 2fkx h GLN 70 CO -0.02 0.71 -0.14 -0.09 -1.93 0.00 0.00 178.83 177.35 2fkx h ARG 71 N 1.10 0.13 -0.00 1.69 2.43 -1.15 -2.05 114.38 116.52 2fkx h ARG 71 Ca 0.33 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2fkx h ARG 71 Cb -0.05 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2fkx h ARG 71 CO -0.09 0.81 -0.01 0.39 -1.51 0.00 0.00 179.97 179.56 2fkx n GLU 72 N -4.61 0.97 -2.80 0.20 4.71 -0.73 -4.34 120.64 114.05 2fkx n GLU 72 Ca -0.09 -0.11 -0.02 0.00 -0.01 0.00 0.00 57.16 56.93 2fkx n GLU 72 Cb 0.43 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.37 2fkx n GLU 72 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2fkx s ASP 73 N -2.10 -0.88 0.56 1.62 -1.08 -0.32 -5.01 116.67 109.46 2fkx s ASP 73 Ca 0.43 -0.86 0.33 0.00 -0.52 0.00 0.00 52.55 51.93 2fkx s ASP 73 Cb 0.22 1.15 1.59 0.00 -1.46 0.00 0.00 42.92 44.41 2fkx s ASP 73 CO 0.38 -0.05 2.09 -0.65 0.52 0.00 0.00 175.17 177.46 2fkx h PRO 74 N 5.10 0.00 0.08 4.34 0.11 -1.55 -1.99 132.00 138.10 2fkx h PRO 74 Ca 0.02 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 2fkx h PRO 74 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2fkx h PRO 74 CO -0.03 0.07 -0.04 0.93 -0.21 0.00 0.00 178.00 178.72 2fkx h GLU 75 N 0.00 -0.11 -0.30 1.05 5.08 -1.91 -2.61 114.58 115.78 2fkx h GLU 75 Ca -0.00 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 2fkx h GLU 75 Cb 0.36 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2fkx h GLU 75 CO 0.01 0.28 -0.16 0.00 -1.00 0.00 0.00 179.01 178.14 2fkx h ARG 76 N -0.51 0.53 0.22 2.33 3.08 -1.84 -1.75 114.38 116.43 2fkx h ARG 76 Ca -0.01 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 59.88 2fkx h ARG 76 Cb 0.43 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 2fkx h ARG 76 CO 0.02 0.67 -0.44 -0.92 -1.07 0.00 0.00 179.97 178.24 2fkx h TYR 77 N 0.48 -1.22 0.31 3.04 3.20 -1.30 0.24 116.97 121.71 2fkx h TYR 77 Ca 0.08 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.98 2fkx h TYR 77 Cb 0.56 0.51 -0.02 0.00 1.54 0.00 0.00 36.73 39.31 2fkx h TYR 77 CO 0.02 -0.55 -0.33 -0.09 -1.64 0.00 0.00 178.16 175.57 2fkx h ARG 78 N -0.74 -0.64 0.00 1.82 9.65 -1.39 -2.07 114.38 121.01 2fkx h ARG 78 Ca -0.00 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 2fkx h ARG 78 Cb 0.72 0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.45 2fkx h ARG 78 CO -0.19 -0.43 -0.20 0.00 2.80 0.00 0.00 179.97 181.95 2fkx h ALA 79 N -0.14 0.88 0.00 2.80 0.00 -1.27 -2.66 119.26 118.87 2fkx h ALA 79 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2fkx h ALA 79 Cb 0.61 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2fkx h ALA 79 CO -0.07 0.00 -0.66 1.25 0.00 0.00 0.00 179.25 179.76 2fkx h LEU 80 N 0.00 0.00 -0.24 0.00 5.85 -0.42 0.72 115.31 121.23 2fkx h LEU 80 Ca 0.00 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.51 2fkx h LEU 80 Cb 0.83 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 2fkx h LEU 80 CO 0.00 0.66 -0.90 0.16 -0.34 0.00 0.00 178.44 178.01 2fkx h ILE 81 N 0.00 1.45 -0.10 4.05 -0.00 -1.25 0.26 117.51 121.93 2fkx h ILE 81 Ca -0.01 -2.54 -0.01 0.00 -0.00 0.00 0.00 64.86 62.30 2fkx h ILE 81 Cb 1.51 2.44 -0.00 0.00 -0.00 0.00 0.00 36.82 40.77 2fkx h ILE 81 CO 0.09 0.75 0.03 -0.33 -0.00 0.00 0.00 178.15 178.69 2fkx h GLU 82 N 0.16 0.15 -0.23 0.16 4.39 -1.42 -0.64 114.58 117.15 2fkx h GLU 82 Ca -0.06 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.54 2fkx h GLU 82 Cb 1.54 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.16 2fkx h GLU 82 CO 0.15 0.29 -0.14 -0.22 -1.16 0.00 0.00 179.01 177.92 2fkx h LYS 83 N -0.02 0.51 -0.13 2.33 3.64 -0.72 -3.10 116.57 119.09 2fkx h LYS 83 Ca 0.03 -0.24 -0.05 0.00 -1.27 0.00 0.00 60.65 59.13 2fkx h LYS 83 Cb 0.20 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2fkx h LYS 83 CO -0.00 0.80 -0.14 -0.07 -2.27 0.00 0.00 179.45 177.77 2fkx h LEU 84 N 0.22 0.19 -0.18 5.20 3.38 -0.53 -3.47 115.31 120.12 2fkx h LEU 84 Ca 0.05 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2fkx h LEU 84 Cb 0.66 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2fkx h LEU 84 CO 0.04 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.53 2fkx n GLY 85 N -0.89 0.77 0.11 0.83 0.00 -0.93 -5.00 105.19 100.08 2fkx n GLY 85 Ca -0.01 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 0.03 0.00 -0.61 2.04 -1.38 -3.29 117.51 114.31 2fkx h ILE 86 Ca 0.00 -1.07 -0.07 0.00 1.00 0.00 0.00 64.86 64.73 2fkx h ILE 86 Cb 0.13 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2fkx h ILE 86 CO 0.00 0.02 -0.47 0.03 0.00 0.00 0.00 178.15 177.73 2fkx h ARG 87 N 0.00 0.00 0.00 2.37 2.47 -1.89 -3.51 114.38 113.83 2fkx h ARG 87 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 2fkx h ARG 87 Cb 1.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.36 2fkx h ARG 87 CO 0.00 0.26 0.00 0.41 0.56 0.00 0.00 179.97 181.20