#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 3.41 0.00 0.52 1.01 -1.26 -5.01 121.20 119.87 2fkx s ILE 2 Ca 0.00 1.24 0.00 0.00 0.00 0.00 0.00 60.65 61.89 2fkx s ILE 2 Cb 0.00 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.68 2fkx s ILE 2 CO 0.00 0.22 0.00 0.35 0.00 0.00 0.00 174.94 175.51 2fkx n THR 3 N 2.15 0.00 -0.04 2.92 -2.24 -1.26 -5.01 114.28 110.81 2fkx n THR 3 Ca 0.03 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.71 2fkx n THR 3 Cb 0.44 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.63 2fkx n THR 3 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2fkx h LYS 4 N 0.00 0.24 0.00 -0.78 6.56 -2.00 -0.97 116.57 119.62 2fkx h LYS 4 Ca 0.00 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 2fkx h LYS 4 Cb 0.00 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 31.60 2fkx h LYS 4 CO 0.00 0.16 0.00 0.39 -2.06 0.00 0.00 179.45 177.94 2fkx n GLU 5 N -4.96 0.59 0.04 3.15 4.71 -1.26 -1.98 120.64 120.93 2fkx n GLU 5 Ca -0.03 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.07 2fkx n GLU 5 Cb 0.03 -1.50 -0.10 0.00 -1.01 0.00 0.00 31.44 28.86 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 -0.06 3.49 4.39 -1.65 -1.34 114.58 119.41 2fkx h GLU 6 Ca 0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 2fkx h GLU 6 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2fkx h GLU 6 CO 0.00 0.62 -0.31 0.87 -1.16 0.00 0.00 179.01 179.03 2fkx h LYS 7 N 0.00 0.32 -0.49 2.33 1.79 -0.58 -2.58 116.57 117.35 2fkx h LYS 7 Ca -0.13 -0.26 0.03 0.00 -2.18 0.00 0.00 60.65 58.11 2fkx h LYS 7 Cb 1.75 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 32.43 2fkx h LYS 7 CO 0.09 0.91 0.33 1.96 -1.08 0.00 0.00 179.45 181.66 2fkx h GLN 8 N -0.19 0.54 0.63 3.15 1.08 -1.43 0.29 115.11 119.18 2fkx h GLN 8 Ca -0.02 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.11 2fkx h GLN 8 Cb 0.97 -0.12 0.01 0.00 -0.05 0.00 0.00 27.48 28.29 2fkx h GLN 8 CO 0.06 0.36 -0.30 -0.22 -0.95 0.00 0.00 178.83 177.78 2fkx h LYS 9 N 0.56 -0.81 -0.80 1.46 3.64 -1.16 -0.88 116.57 118.57 2fkx h LYS 9 Ca 0.20 0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 2fkx h LYS 9 Cb 0.10 0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 2fkx h LYS 9 CO -0.05 -0.53 0.48 0.28 -2.27 0.00 0.00 179.45 177.36 2fkx h VAL 10 N -0.89 1.22 0.00 2.00 2.07 -1.01 0.22 116.25 119.88 2fkx h VAL 10 Ca -0.09 -0.50 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 2fkx h VAL 10 Cb 0.66 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2fkx h VAL 10 CO 0.14 0.24 -0.23 0.40 0.02 0.00 0.00 177.57 178.14 2fkx h ILE 11 N 1.11 0.72 0.01 4.57 5.03 -0.87 -1.77 117.51 126.30 2fkx h ILE 11 Ca 0.29 -0.96 -0.31 0.00 -0.12 0.00 0.00 64.86 63.75 2fkx h ILE 11 Cb -0.04 1.61 -0.04 0.00 -3.03 0.00 0.00 36.82 35.31 2fkx h ILE 11 CO -0.05 0.22 -1.71 1.67 -0.68 0.00 0.00 178.15 177.60 2fkx n GLN 12 N -3.62 0.59 -0.09 2.37 7.27 -0.35 -3.50 117.38 120.05 2fkx n GLN 12 Ca -0.01 0.45 -0.09 0.00 0.07 0.00 0.00 57.00 57.43 2fkx n GLN 12 Cb 0.36 -1.67 -0.01 0.00 2.41 0.00 0.00 30.24 31.33 2fkx n GLN 12 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 2fkx h GLU 13 N -0.88 0.42 0.00 3.69 5.08 -0.58 -3.38 114.58 118.93 2fkx h GLU 13 Ca -0.46 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2fkx h GLU 13 Cb 1.47 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.62 2fkx h GLU 13 CO -0.24 0.28 -0.23 1.19 -1.00 0.00 0.00 179.01 179.01 2fkx n PHE 14 N -4.86 0.30 -1.67 4.33 3.01 -0.67 -4.88 117.46 113.01 2fkx n PHE 14 Ca -0.01 0.13 -0.45 0.00 1.01 0.00 0.00 57.45 58.13 2fkx n PHE 14 Cb 0.02 -0.41 -0.04 0.00 -0.01 0.00 0.00 39.48 39.05 2fkx n PHE 14 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2fkx n ALA 15 N -2.87 1.33 0.52 4.37 0.00 -1.23 -4.85 120.51 117.78 2fkx n ALA 15 Ca -0.03 0.26 0.12 0.00 0.00 0.00 0.00 53.44 53.79 2fkx n ALA 15 Cb 0.12 -2.59 0.27 0.00 0.00 0.00 0.00 19.45 17.25 2fkx n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fkx h ARG 16 N 9.71 0.00 -3.92 0.00 3.08 -1.82 -3.40 114.38 118.04 2fkx h ARG 16 Ca -0.49 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.46 2fkx h ARG 16 Cb 1.25 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.17 2fkx h ARG 16 CO 0.94 0.00 -0.39 -0.06 -1.07 0.00 0.00 179.97 179.39 2fkx s PHE 17 N -3.15 0.33 0.45 3.04 0.08 -1.26 -4.98 117.98 112.48 2fkx s PHE 17 Ca 0.08 -0.74 0.29 0.00 0.12 0.00 0.00 56.93 56.69 2fkx s PHE 17 Cb 0.12 -0.11 1.58 0.00 -0.57 0.00 0.00 43.02 44.04 2fkx s PHE 17 CO 0.66 -0.60 2.12 -1.35 -0.10 0.00 0.00 175.22 175.95 2fkx h PRO 18 N 2.70 0.00 0.00 0.24 0.11 -1.93 -1.47 132.00 131.66 2fkx h PRO 18 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2fkx h PRO 18 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2fkx h PRO 18 CO 0.54 0.08 -0.87 0.41 -0.21 0.00 0.00 178.00 177.95 2fkx n GLY 19 N -0.79 -1.11 1.37 -0.55 0.00 -1.26 -4.02 105.19 98.83 2fkx n GLY 19 Ca -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2fkx n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2fkx n ASP 20 N -1.59 3.63 0.05 1.61 2.03 -0.56 -3.80 116.55 117.93 2fkx n ASP 20 Ca 0.04 -2.60 -0.01 0.00 0.52 0.00 0.00 54.79 52.74 2fkx n ASP 20 Cb 0.35 -0.62 -0.07 0.00 -0.72 0.00 0.00 41.12 40.06 2fkx n ASP 20 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2fkx h THR 21 N 1.91 0.71 -0.55 5.18 1.35 -1.69 -3.23 112.91 116.60 2fkx h THR 21 Ca 0.07 -2.23 0.00 0.00 -0.55 0.00 0.00 66.41 63.70 2fkx h THR 21 Cb 1.48 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 70.13 2fkx h THR 21 CO 0.35 0.41 0.00 0.61 -0.25 0.00 0.00 175.52 176.64 2fkx n GLY 22 N 1.37 1.66 3.77 5.82 0.00 -1.25 -4.67 105.19 111.90 2fkx n GLY 22 Ca -0.07 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.06 5.82 0.21 1.61 0.01 -1.22 -4.84 113.70 114.22 2fkx s SER 23 Ca 0.39 2.24 -0.10 0.00 1.31 0.00 0.00 55.95 59.78 2fkx s SER 23 Cb 0.20 -2.59 0.29 0.00 0.21 0.00 0.00 66.02 64.14 2fkx s SER 23 CO 0.27 -1.16 1.68 0.74 0.41 0.00 0.00 173.24 175.18 2fkx h THR 24 N 1.39 0.56 -0.98 1.44 2.02 -1.92 -1.21 112.91 114.21 2fkx h THR 24 Ca -0.50 -0.06 0.04 0.00 0.77 0.00 0.00 66.41 66.67 2fkx h THR 24 Cb 1.26 0.37 -0.06 0.00 -1.74 0.00 0.00 68.15 67.98 2fkx h THR 24 CO 0.58 0.03 0.64 -0.33 0.37 0.00 0.00 175.52 176.81 2fkx h GLU 25 N 0.17 1.18 -0.16 6.66 5.08 -1.94 0.51 114.58 126.08 2fkx h GLU 25 Ca 0.32 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.50 2fkx h GLU 25 Cb 0.50 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2fkx h GLU 25 CO -0.47 0.78 -0.37 0.28 -1.00 0.00 0.00 179.01 178.23 2fkx h VAL 26 N 1.22 1.29 0.00 3.13 2.07 -1.57 -1.58 116.25 120.81 2fkx h VAL 26 Ca 0.40 -1.45 -0.10 0.00 0.82 0.00 0.00 66.70 66.37 2fkx h VAL 26 Cb 0.04 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2fkx h VAL 26 CO -0.13 0.44 -0.46 1.56 0.02 0.00 0.00 177.57 179.00 2fkx h GLN 27 N 0.30 0.00 -0.05 1.57 1.08 -0.18 -1.92 115.11 115.91 2fkx h GLN 27 Ca 0.03 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.10 2fkx h GLN 27 Cb 0.79 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.20 2fkx h GLN 27 CO 0.06 0.46 -0.58 0.28 -0.95 0.00 0.00 178.83 178.10 2fkx h VAL 28 N 0.00 1.39 -0.41 -0.54 2.07 -0.42 0.20 116.25 118.55 2fkx h VAL 28 Ca -0.00 -1.95 -0.02 0.00 0.82 0.00 0.00 66.70 65.55 2fkx h VAL 28 Cb 1.01 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.77 2fkx h VAL 28 CO 0.06 0.57 0.18 0.00 0.02 0.00 0.00 177.57 178.40 2fkx h ALA 29 N 1.29 0.52 0.00 1.67 0.00 -0.56 0.16 119.26 122.34 2fkx h ALA 29 Ca -0.00 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 2fkx h ALA 29 Cb 1.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2fkx h ALA 29 CO 0.08 0.10 -0.49 1.37 0.00 0.00 0.00 179.25 180.32 2fkx h LEU 30 N 0.51 0.00 -0.68 0.00 8.10 -1.23 -2.13 115.31 119.88 2fkx h LEU 30 Ca 0.14 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 58.00 2fkx h LEU 30 Cb 0.15 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.36 2fkx h LEU 30 CO -0.01 0.49 -0.36 0.17 -4.11 0.00 0.00 178.44 174.61 2fkx h LEU 31 N 0.00 0.64 -0.39 0.17 8.10 -0.06 -0.21 115.31 123.56 2fkx h LEU 31 Ca -0.00 -0.27 -0.17 0.00 0.11 0.00 0.00 57.88 57.54 2fkx h LEU 31 Cb 1.24 -0.18 -0.00 0.00 -0.44 0.00 0.00 40.66 41.28 2fkx h LEU 31 CO 0.06 0.95 -0.51 0.74 -4.11 0.00 0.00 178.44 175.57 2fkx h THR 32 N 0.51 1.28 -0.66 0.15 2.02 -0.60 -1.40 112.91 114.22 2fkx h THR 32 Ca 0.05 -1.70 -0.05 0.00 0.77 0.00 0.00 66.41 65.48 2fkx h THR 32 Cb 0.86 1.61 -0.03 0.00 -1.74 0.00 0.00 68.15 68.85 2fkx h THR 32 CO 0.07 0.55 0.23 -0.07 0.37 0.00 0.00 175.52 176.67 2fkx h LEU 33 N 0.62 0.92 0.28 2.58 3.38 -1.12 0.33 115.31 122.31 2fkx h LEU 33 Ca 0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2fkx h LEU 33 Cb 1.10 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2fkx h LEU 33 CO 0.11 0.85 -0.13 0.03 0.09 0.00 0.00 178.44 179.38 2fkx h ARG 34 N 0.97 -0.36 -0.65 1.13 2.47 -0.79 0.12 114.38 117.26 2fkx h ARG 34 Ca 0.22 0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.95 2fkx h ARG 34 Cb 0.24 0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.61 2fkx h ARG 34 CO -0.01 -0.23 0.34 0.82 0.56 0.00 0.00 179.97 181.45 2fkx h ILE 35 N -0.39 1.20 0.07 2.04 2.04 -0.94 0.30 117.51 121.84 2fkx h ILE 35 Ca -0.04 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 2fkx h ILE 35 Cb 0.30 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 2fkx h ILE 35 CO 0.06 0.23 -0.04 -1.13 0.00 0.00 0.00 178.15 177.28 2fkx h ASN 36 N 0.91 -0.08 0.63 1.72 -0.73 -0.11 0.41 115.58 118.33 2fkx h ASN 36 Ca 0.23 -0.06 -0.08 0.00 1.87 0.00 0.00 56.30 58.25 2fkx h ASN 36 Cb 0.04 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.64 2fkx h ASN 36 CO -0.04 0.01 -0.39 -0.09 -0.37 0.00 0.00 177.43 176.55 2fkx h ARG 37 N -0.17 0.00 -0.24 6.67 9.65 -0.35 -1.36 114.38 128.58 2fkx h ARG 37 Ca -0.01 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.83 2fkx h ARG 37 Cb 0.14 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.71 2fkx h ARG 37 CO 0.02 0.39 0.01 1.25 2.80 0.00 0.00 179.97 184.44 2fkx h LEU 38 N 0.00 0.41 -0.41 3.80 6.46 -0.12 0.43 115.31 125.87 2fkx h LEU 38 Ca -0.00 -0.29 0.00 0.00 -0.12 0.00 0.00 57.88 57.46 2fkx h LEU 38 Cb 0.82 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.62 2fkx h LEU 38 CO 0.05 0.60 0.27 -1.28 -0.62 0.00 0.00 178.44 177.47 2fkx h SER 39 N 0.20 0.48 0.43 1.25 0.87 -0.44 0.01 113.55 116.34 2fkx h SER 39 Ca 0.07 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2fkx h SER 39 Cb 0.39 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2fkx h SER 39 CO 0.01 0.35 0.00 -0.62 -0.53 0.00 0.00 176.83 176.04 2fkx n GLU 40 N -4.80 0.56 -0.09 2.24 -0.58 -0.56 -1.47 120.64 115.94 2fkx n GLU 40 Ca 0.01 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.60 2fkx n GLU 40 Cb 0.02 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.32 2fkx n GLU 40 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2fkx n HIS 41 N -1.22 0.83 1.16 -0.32 -0.00 0.13 -4.32 115.22 111.48 2fkx n HIS 41 Ca 0.16 0.36 0.13 0.00 0.46 0.00 0.00 57.72 58.83 2fkx n HIS 41 Cb 0.21 -0.93 0.64 0.00 -0.12 0.00 0.00 29.99 29.79 2fkx n HIS 41 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2fkx n LEU 42 N -4.49 0.00 -0.30 0.27 7.99 -0.08 0.01 117.00 120.41 2fkx n LEU 42 Ca -0.24 0.35 0.15 0.00 -0.01 0.00 0.00 56.01 56.26 2fkx n LEU 42 Cb 0.53 -0.35 0.66 0.00 -0.11 0.00 0.00 43.42 44.16 2fkx n LEU 42 CO 0.14 -0.04 0.94 1.17 -1.51 0.00 0.00 177.39 178.10 2fkx n LYS 43 N -1.35 1.37 -0.02 3.23 4.81 -0.54 -3.80 118.16 121.85 2fkx n LYS 43 Ca 0.11 -0.59 -0.06 0.00 -0.87 0.00 0.00 58.31 56.90 2fkx n LYS 43 Cb 0.24 -1.49 -0.02 0.00 0.02 0.00 0.00 35.03 33.78 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 -0.30 0.39 -2.38 3.15 0.31 -0.70 -4.87 118.33 113.93 2fkx n VAL 44 Ca 0.20 -0.04 -0.38 0.00 -0.01 0.00 0.00 64.34 64.10 2fkx n VAL 44 Cb 0.27 -1.59 -0.03 0.00 -0.91 0.00 0.00 33.84 31.58 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 -2.11 2.16 -0.94 3.52 3.76 0.10 -4.89 115.29 116.89 2fkx s HIS 45 Ca -0.08 -0.00 -0.26 0.00 -0.15 0.00 0.00 55.06 54.57 2fkx s HIS 45 Cb 0.03 -4.46 -0.17 0.00 1.11 0.00 0.00 32.58 29.09 2fkx s HIS 45 CO 0.10 -2.04 2.23 0.15 -0.85 0.00 0.00 174.74 174.33 2fkx s LYS 46 N 5.97 1.53 -1.90 1.40 1.02 -1.26 -3.45 119.74 123.06 2fkx s LYS 46 Ca 0.49 -0.04 0.00 0.00 0.02 0.00 0.00 55.97 56.44 2fkx s LYS 46 Cb -0.07 -4.91 0.00 0.00 -0.52 0.00 0.00 37.83 32.33 2fkx s LYS 46 CO 0.07 -4.80 0.00 1.63 -0.92 0.00 0.00 175.35 171.33 2fkx n LYS 47 N 8.52 -1.42 -2.86 1.68 5.02 -1.26 -4.89 118.16 122.95 2fkx n LYS 47 Ca 0.44 1.09 -0.44 0.00 -2.02 0.00 0.00 58.31 57.38 2fkx n LYS 47 Cb 0.45 -5.51 0.00 0.00 -0.02 0.00 0.00 35.03 29.96 2fkx n LYS 47 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2fkx n ASP 48 N -1.35 5.54 -3.60 4.39 2.03 -1.22 -4.88 116.55 117.46 2fkx n ASP 48 Ca -0.21 -3.14 -0.28 0.00 0.52 0.00 0.00 54.79 51.69 2fkx n ASP 48 Cb 0.65 -1.43 -0.16 0.00 -0.72 0.00 0.00 41.12 39.46 2fkx n ASP 48 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 2fkx s HIS 49 N -0.42 0.40 -0.78 -0.67 -3.43 -1.26 -4.91 115.29 104.22 2fkx s HIS 49 Ca 0.37 -0.66 0.16 0.00 -0.80 0.00 0.00 55.06 54.13 2fkx s HIS 49 Cb 0.01 -0.86 0.57 0.00 -1.43 0.00 0.00 32.58 30.88 2fkx s HIS 49 CO 0.01 -0.66 1.48 0.72 -2.00 0.00 0.00 174.74 174.29 2fkx n HIS 50 N 5.22 1.10 0.01 0.38 8.25 -1.26 -4.40 115.22 124.53 2fkx n HIS 50 Ca -0.07 -0.66 -0.04 0.00 -0.26 0.00 0.00 57.72 56.69 2fkx n HIS 50 Cb 0.46 -0.22 -0.11 0.00 1.12 0.00 0.00 29.99 31.24 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 2.93 0.00 -0.91 0.41 0.02 -2.00 -3.40 113.55 110.60 2fkx h SER 51 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2fkx h SER 51 Cb 1.29 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.79 2fkx h SER 51 CO 0.18 0.79 0.56 1.12 -1.14 0.00 0.00 176.83 178.34 2fkx h HIS 52 N 0.00 1.18 -0.01 3.45 2.07 -1.95 0.67 115.15 120.56 2fkx h HIS 52 Ca -0.20 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.18 2fkx h HIS 52 Cb 1.78 -0.39 -0.02 0.00 2.57 0.00 0.00 27.41 31.35 2fkx h HIS 52 CO 0.00 0.78 -0.66 -0.09 -3.07 0.00 0.00 177.93 174.88 2fkx h ARG 53 N 1.25 0.05 0.20 5.12 2.43 -1.92 -2.62 114.38 118.89 2fkx h ARG 53 Ca 0.33 -0.04 -0.31 0.00 -0.81 0.00 0.00 59.98 59.15 2fkx h ARG 53 Cb -0.07 0.01 0.02 0.00 -0.42 0.00 0.00 29.97 29.51 2fkx h ARG 53 CO -0.06 0.69 -1.37 0.78 -1.51 0.00 0.00 179.97 178.49 2fkx h GLY 54 N 1.89 0.49 -0.02 2.80 0.00 -1.54 -3.24 103.07 103.45 2fkx h GLY 54 Ca -0.01 -1.24 0.00 0.00 0.00 0.00 0.00 47.33 46.08 2fkx h GLY 54 CO 0.09 1.09 0.00 1.04 0.00 0.00 0.00 176.54 178.76 2fkx n LEU 55 N -3.64 0.02 0.26 3.11 4.77 0.23 -2.72 117.00 119.02 2fkx n LEU 55 Ca -0.13 -0.01 0.14 0.00 -0.03 0.00 0.00 56.01 55.98 2fkx n LEU 55 Cb 1.07 -0.01 0.68 0.00 -2.33 0.00 0.00 43.42 42.83 2fkx n LEU 55 CO 0.58 0.00 0.94 -0.07 -1.33 0.00 0.00 177.39 177.51 2fkx h LEU 56 N 0.00 0.00 -1.37 2.23 3.38 -1.49 -1.34 115.31 116.72 2fkx h LEU 56 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2fkx h LEU 56 Cb 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2fkx h LEU 56 CO 0.00 0.12 0.02 0.00 0.09 0.00 0.00 178.44 178.67 2fkx h MET 57 N 0.00 0.44 0.13 1.13 -0.00 -1.77 0.45 114.93 115.30 2fkx h MET 57 Ca -0.00 -0.08 -0.31 0.00 -0.00 0.00 0.00 59.70 59.31 2fkx h MET 57 Cb 0.47 -0.07 -0.00 0.00 -0.00 0.00 0.00 31.60 32.00 2fkx h MET 57 CO 0.02 0.45 -1.52 0.00 -0.00 0.00 0.00 176.91 175.85 2fkx h MET 58 N 0.43 0.27 -0.18 -0.10 -0.00 -1.52 -1.44 114.93 112.39 2fkx h MET 58 Ca 0.10 -0.46 -0.03 0.00 -0.00 0.00 0.00 59.70 59.31 2fkx h MET 58 Cb 0.25 0.17 -0.01 0.00 -0.00 0.00 0.00 31.60 32.02 2fkx h MET 58 CO 0.00 1.14 0.01 0.28 -0.00 0.00 0.00 176.91 178.35 2fkx h VAL 59 N 0.07 1.25 -0.38 -0.10 2.07 -1.25 -1.03 116.25 116.89 2fkx h VAL 59 Ca -0.24 -0.83 -0.07 0.00 0.82 0.00 0.00 66.70 66.38 2fkx h VAL 59 Cb 2.02 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 33.22 2fkx h VAL 59 CO 0.17 0.25 -0.06 1.23 0.02 0.00 0.00 177.57 179.18 2fkx h GLY 60 N 0.07 0.68 0.98 2.17 0.00 -0.21 0.11 103.07 106.88 2fkx h GLY 60 Ca 0.05 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 2fkx h GLY 60 CO 0.01 0.43 0.27 -1.61 0.00 0.00 0.00 176.54 175.63 2fkx h GLN 61 N 0.59 0.74 -0.20 4.80 5.75 -1.05 0.24 115.11 125.97 2fkx h GLN 61 Ca 0.11 -0.10 -0.19 0.00 -0.15 0.00 0.00 58.65 58.33 2fkx h GLN 61 Cb 0.47 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.88 2fkx h GLN 61 CO 0.02 0.59 -0.62 0.07 -2.65 0.00 0.00 178.83 176.24 2fkx h ARG 62 N 0.69 0.71 -0.55 1.69 -0.00 -0.84 -1.10 114.38 114.98 2fkx h ARG 62 Ca 0.18 -0.49 -0.12 0.00 -0.00 0.00 0.00 59.98 59.55 2fkx h ARG 62 Cb 0.08 0.07 -0.02 0.00 -0.00 0.00 0.00 29.97 30.11 2fkx h ARG 62 CO -0.03 1.11 -0.12 -0.09 -0.00 0.00 0.00 179.97 180.84 2fkx h ARG 63 N 0.52 1.04 0.00 0.08 1.12 -0.54 -2.96 114.38 113.65 2fkx h ARG 63 Ca -0.01 -0.39 0.00 0.00 -1.11 0.00 0.00 59.98 58.47 2fkx h ARG 63 Cb 1.21 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 31.11 2fkx h ARG 63 CO 0.13 1.09 -0.38 0.07 -3.11 0.00 0.00 179.97 177.76 2fkx h ARG 64 N 0.92 0.00 0.00 0.20 0.11 -0.95 -3.34 114.38 111.33 2fkx h ARG 64 Ca 0.14 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.18 2fkx h ARG 64 Cb 0.70 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.77 2fkx h ARG 64 CO 0.05 0.00 -0.18 1.25 0.10 0.00 0.00 179.97 181.20 2fkx h LEU 65 N 0.00 0.00 -0.60 0.08 5.85 -1.01 -1.45 115.31 118.17 2fkx h LEU 65 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2fkx h LEU 65 Cb 0.87 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 2fkx h LEU 65 CO 0.00 0.18 0.26 -0.07 -0.34 0.00 0.00 178.44 178.47 2fkx h LEU 66 N 0.00 0.81 -0.58 2.25 4.07 -1.68 0.03 115.31 120.22 2fkx h LEU 66 Ca -0.00 -0.15 -0.15 0.00 0.08 0.00 0.00 57.88 57.65 2fkx h LEU 66 Cb 0.38 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.90 2fkx h LEU 66 CO 0.02 0.74 -0.57 -0.09 -1.08 0.00 0.00 178.44 177.47 2fkx h ARG 67 N 0.83 0.44 0.48 1.13 9.65 -1.58 -1.86 114.38 123.46 2fkx h ARG 67 Ca 0.20 -0.28 -0.02 0.00 -1.10 0.00 0.00 59.98 58.78 2fkx h ARG 67 Cb 0.17 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.79 2fkx h ARG 67 CO -0.02 0.88 -0.23 -0.92 2.80 0.00 0.00 179.97 182.48 2fkx h TYR 68 N 0.33 -0.60 0.00 2.20 3.20 -0.95 -2.84 116.97 118.31 2fkx h TYR 68 Ca 0.00 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 2fkx h TYR 68 Cb 1.09 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.55 2fkx h TYR 68 CO 0.04 -0.29 -0.35 -0.07 -1.64 0.00 0.00 178.16 175.85 2fkx h LEU 69 N -0.87 0.00 -1.66 2.82 3.38 -1.05 -2.15 115.31 115.79 2fkx h LEU 69 Ca -0.07 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.94 2fkx h LEU 69 Cb 0.58 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2fkx h LEU 69 CO 0.11 0.35 0.29 -0.61 0.09 0.00 0.00 178.44 178.67 2fkx h GLN 70 N 0.00 0.43 -0.15 1.13 4.15 -1.28 -2.79 115.11 116.60 2fkx h GLN 70 Ca -0.00 -0.03 -0.19 0.00 0.77 0.00 0.00 58.65 59.21 2fkx h GLN 70 Cb 0.64 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.23 2fkx h GLN 70 CO 0.05 0.28 -0.67 0.00 -1.93 0.00 0.00 178.83 176.56 2fkx h ARG 71 N 0.44 0.58 -0.01 1.69 2.47 -1.13 -3.05 114.38 115.36 2fkx h ARG 71 Ca 0.18 -0.42 0.00 0.00 -1.26 0.00 0.00 59.98 58.47 2fkx h ARG 71 Cb 0.16 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 2fkx h ARG 71 CO -0.04 1.05 -0.13 0.39 0.56 0.00 0.00 179.97 181.79 2fkx n GLU 72 N -3.91 1.16 0.00 0.04 1.02 -1.07 -4.77 120.64 113.11 2fkx n GLU 72 Ca -0.05 -0.64 0.00 0.00 -0.02 0.00 0.00 57.16 56.45 2fkx n GLU 72 Cb 0.68 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 2fkx n GLU 72 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2fkx n ASP 73 N -0.36 0.00 0.16 1.62 2.03 -1.11 -5.03 116.55 113.86 2fkx n ASP 73 Ca 0.15 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.60 2fkx n ASP 73 Cb 0.34 0.00 0.69 0.00 -0.72 0.00 0.00 41.12 41.43 2fkx n ASP 73 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2fkx h PRO 74 N 0.00 0.00 0.00 -0.67 0.11 -1.78 -0.55 132.00 129.11 2fkx h PRO 74 Ca 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.00 2fkx h PRO 74 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 2fkx h PRO 74 CO 0.00 0.00 -0.53 1.49 -0.21 0.00 0.00 178.00 178.75 2fkx h GLU 75 N 0.00 0.00 0.00 1.05 4.81 -1.90 -2.52 114.58 116.02 2fkx h GLU 75 Ca 0.10 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 2fkx h GLU 75 Cb 0.43 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2fkx h GLU 75 CO -0.00 0.53 -0.27 0.00 -0.73 0.00 0.00 179.01 178.53 2fkx h ARG 76 N 0.00 0.00 -0.18 1.92 2.47 -1.34 0.36 114.38 117.61 2fkx h ARG 76 Ca -0.01 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 2fkx h ARG 76 Cb 0.96 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.27 2fkx h ARG 76 CO 0.07 0.27 0.01 -0.92 0.56 0.00 0.00 179.97 179.96 2fkx h TYR 77 N 0.00 0.34 -0.61 3.04 3.20 -1.44 0.22 116.97 121.72 2fkx h TYR 77 Ca -0.00 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.76 2fkx h TYR 77 Cb 0.54 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.69 2fkx h TYR 77 CO 0.00 0.51 0.18 0.00 -1.64 0.00 0.00 178.16 177.20 2fkx h ARG 78 N 0.07 0.96 0.00 1.82 3.08 -1.24 -1.63 114.38 117.45 2fkx h ARG 78 Ca 0.05 -0.22 -0.12 0.00 0.07 0.00 0.00 59.98 59.77 2fkx h ARG 78 Cb 0.37 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2fkx h ARG 78 CO 0.01 0.86 -0.57 0.00 -1.07 0.00 0.00 179.97 179.21 2fkx h ALA 79 N 1.06 0.77 0.00 0.04 0.00 -0.19 -2.58 119.26 118.35 2fkx h ALA 79 Ca 0.20 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 2fkx h ALA 79 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2fkx h ALA 79 CO -0.00 0.71 -0.48 1.25 0.00 0.00 0.00 179.25 180.73 2fkx h LEU 80 N 0.00 0.00 -0.67 0.00 5.85 -0.15 0.56 115.31 120.90 2fkx h LEU 80 Ca -0.01 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 2fkx h LEU 80 Cb 1.24 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 2fkx h LEU 80 CO 0.07 0.48 -0.49 0.16 -0.34 0.00 0.00 178.44 178.32 2fkx h ILE 81 N 0.00 1.03 0.08 4.05 -0.00 -1.02 -0.14 117.51 121.52 2fkx h ILE 81 Ca -0.00 -1.89 -0.25 0.00 -0.00 0.00 0.00 64.86 62.71 2fkx h ILE 81 Cb 0.91 2.12 0.02 0.00 -0.00 0.00 0.00 36.82 39.87 2fkx h ILE 81 CO 0.06 0.48 -1.03 -0.33 -0.00 0.00 0.00 178.15 177.32 2fkx h GLU 82 N 0.00 0.55 -0.64 0.16 4.39 -1.02 0.21 114.58 118.23 2fkx h GLU 82 Ca -0.00 -0.71 -0.06 0.00 0.34 0.00 0.00 59.36 58.93 2fkx h GLU 82 Cb 1.08 0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 29.93 2fkx h GLU 82 CO 0.06 1.30 0.16 0.87 -1.16 0.00 0.00 179.01 180.24 2fkx h LYS 83 N 0.13 1.01 0.08 2.33 1.79 0.33 -2.74 116.57 119.50 2fkx h LYS 83 Ca -0.15 -0.23 -0.26 0.00 -2.18 0.00 0.00 60.65 57.83 2fkx h LYS 83 Cb 1.73 -0.14 0.01 0.00 -1.58 0.00 0.00 32.23 32.25 2fkx h LYS 83 CO 0.20 0.90 -1.11 -0.07 -1.08 0.00 0.00 179.45 178.28 2fkx h LEU 84 N 0.96 0.53 -1.79 2.94 3.38 -1.12 -3.49 115.31 116.73 2fkx h LEU 84 Ca 0.20 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2fkx h LEU 84 Cb 0.34 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2fkx h LEU 84 CO 0.00 1.33 0.00 0.61 0.09 0.00 0.00 178.44 180.47 2fkx n GLY 85 N 1.25 0.76 0.09 0.83 0.00 -0.18 -5.02 105.19 102.94 2fkx n GLY 85 Ca -0.08 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 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 1.14 0.00 -0.61 2.04 -0.96 -3.33 117.51 115.79 2fkx h ILE 86 Ca 0.00 -2.87 0.00 0.00 1.00 0.00 0.00 64.86 62.99 2fkx h ILE 86 Cb 0.67 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 39.41 2fkx h ILE 86 CO 0.00 0.75 -1.46 0.54 0.00 0.00 0.00 178.15 177.98 2fkx n ARG 87 N -3.31 0.69 -0.33 2.37 1.74 -1.26 -5.12 116.66 111.44 2fkx n ARG 87 Ca -0.14 -0.10 0.00 0.00 -0.77 0.00 0.00 57.85 56.84 2fkx n ARG 87 Cb 1.02 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 31.04 2fkx n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52