#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 3.65 1.20 4.25 -4.36 -1.26 -4.98 121.20 119.70 2fkx s ILE 2 Ca 0.00 0.76 -0.20 0.00 -0.26 0.00 0.00 60.65 60.95 2fkx s ILE 2 Cb 0.00 -3.57 0.30 0.00 1.25 0.00 0.00 42.46 40.44 2fkx s ILE 2 CO 0.00 -0.15 1.10 0.35 0.24 0.00 0.00 174.94 176.48 2fkx n THR 3 N 5.89 0.00 -0.11 8.37 -2.24 -1.26 -4.49 114.28 120.44 2fkx n THR 3 Ca 0.18 -0.52 -0.06 0.00 -2.27 0.00 0.00 64.05 61.38 2fkx n THR 3 Cb 0.44 -1.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.41 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 -0.16 0.00 -0.78 3.64 -1.99 0.40 116.57 117.67 2fkx h LYS 4 Ca -0.41 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 2fkx h LYS 4 Cb 1.24 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2fkx h LYS 4 CO 0.27 -0.11 0.00 0.93 -2.27 0.00 0.00 179.45 178.27 2fkx h GLU 5 N -0.17 0.00 0.00 1.90 4.39 -1.99 -2.01 114.58 116.71 2fkx h GLU 5 Ca 0.19 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.71 2fkx h GLU 5 Cb 0.46 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 2fkx h GLU 5 CO -0.48 0.00 -0.82 0.93 -1.16 0.00 0.00 179.01 177.47 2fkx h GLU 6 N 0.00 0.00 -0.18 2.33 4.39 -1.15 -1.04 114.58 118.94 2fkx h GLU 6 Ca 0.00 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.51 2fkx h GLU 6 Cb 0.71 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.37 2fkx h GLU 6 CO 0.00 0.82 -0.65 0.87 -1.16 0.00 0.00 179.01 178.90 2fkx h LYS 7 N 0.00 0.75 -0.42 2.33 1.57 0.07 -2.56 116.57 118.32 2fkx h LYS 7 Ca -0.01 -0.57 -0.01 0.00 -1.87 0.00 0.00 60.65 58.19 2fkx h LYS 7 Cb 1.50 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.89 2fkx h LYS 7 CO 0.11 1.19 0.23 0.37 -0.57 0.00 0.00 179.45 180.78 2fkx h GLN 8 N 0.47 0.56 0.14 3.15 4.15 -1.12 0.24 115.11 122.70 2fkx h GLN 8 Ca -0.03 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 2fkx h GLN 8 Cb 1.27 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.84 2fkx h GLN 8 CO 0.14 0.41 -0.06 0.87 -1.93 0.00 0.00 178.83 178.25 2fkx h LYS 9 N 0.57 -0.17 -0.49 1.69 1.79 -1.00 -1.60 116.57 117.36 2fkx h LYS 9 Ca 0.15 0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.59 2fkx h LYS 9 Cb 0.01 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 2fkx h LYS 9 CO -0.03 -0.09 0.15 0.28 -1.08 0.00 0.00 179.45 178.68 2fkx h VAL 10 N -0.21 1.23 -0.18 0.50 2.07 -0.87 -0.70 116.25 118.09 2fkx h VAL 10 Ca -0.02 -0.77 -0.08 0.00 0.82 0.00 0.00 66.70 66.66 2fkx h VAL 10 Cb 0.16 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2fkx h VAL 10 CO 0.03 0.28 -0.23 0.40 0.02 0.00 0.00 177.57 178.07 2fkx h ILE 11 N 0.66 1.24 -0.01 4.57 5.03 -0.57 0.28 117.51 128.71 2fkx h ILE 11 Ca 0.16 -1.12 -0.23 0.00 -0.12 0.00 0.00 64.86 63.55 2fkx h ILE 11 Cb 0.28 1.37 0.00 0.00 -3.03 0.00 0.00 36.82 35.44 2fkx h ILE 11 CO -0.00 0.35 -0.93 -0.61 -0.68 0.00 0.00 178.15 176.27 2fkx h GLN 12 N 0.29 0.46 0.00 2.37 4.15 -1.03 -3.35 115.11 118.00 2fkx h GLN 12 Ca 0.05 -0.48 -0.01 0.00 0.77 0.00 0.00 58.65 58.98 2fkx h GLN 12 Cb 0.57 0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.40 2fkx h GLN 12 CO 0.04 1.13 -0.05 1.49 -1.93 0.00 0.00 178.83 179.51 2fkx h GLU 13 N 0.27 0.00 0.00 1.69 4.81 -0.71 -3.46 114.58 117.17 2fkx h GLU 13 Ca -0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2fkx h GLU 13 Cb 1.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.95 2fkx h GLU 13 CO 0.17 0.64 0.00 1.19 -0.73 0.00 0.00 179.01 180.28 2fkx n PHE 14 N -4.66 0.00 -1.57 0.92 3.72 0.94 -5.09 117.46 111.72 2fkx n PHE 14 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2fkx n PHE 14 Cb 0.32 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 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 -3.00 -1.77 -0.11 4.37 0.00 -0.97 -4.86 120.51 114.17 2fkx n ALA 15 Ca 0.00 0.39 0.01 0.00 0.00 0.00 0.00 53.44 53.83 2fkx n ALA 15 Cb 0.00 -1.27 0.01 0.00 0.00 0.00 0.00 19.45 18.19 2fkx n ALA 15 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2fkx n ARG 16 N -1.11 2.78 -3.64 0.00 1.85 -1.26 -4.70 116.66 110.58 2fkx n ARG 16 Ca 0.00 -1.53 -0.09 0.00 -1.00 0.00 0.00 57.85 55.22 2fkx n ARG 16 Cb 0.05 -1.01 -0.07 0.00 -1.05 0.00 0.00 32.46 30.38 2fkx n ARG 16 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 177.63 177.74 2fkx s PHE 17 N -1.08 -0.57 -0.29 2.89 5.36 -1.26 -5.03 117.98 118.00 2fkx s PHE 17 Ca 0.02 1.33 -0.28 0.00 -0.96 0.00 0.00 56.93 57.05 2fkx s PHE 17 Cb 0.02 0.36 -0.05 0.00 -0.34 0.00 0.00 43.02 43.01 2fkx s PHE 17 CO 0.00 -0.27 2.20 -2.14 -1.46 0.00 0.00 175.22 173.54 2fkx s PRO 18 N 0.44 2.95 0.00 10.12 0.02 -1.26 0.19 135.00 147.46 2fkx s PRO 18 Ca 0.01 1.81 0.00 0.00 0.02 0.00 0.00 61.00 62.84 2fkx s PRO 18 Cb -0.05 -4.39 0.00 0.00 0.02 0.00 0.00 34.50 30.08 2fkx s PRO 18 CO -0.07 -2.31 0.00 0.41 -0.33 0.00 0.00 177.00 174.70 2fkx n GLY 19 N 5.77 2.12 3.91 0.52 0.00 -1.26 -5.08 105.19 111.18 2fkx n GLY 19 Ca 0.30 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.04 2fkx n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2fkx s ASP 20 N -1.86 6.42 -0.00 1.61 2.15 0.13 -4.99 116.67 120.12 2fkx s ASP 20 Ca 0.00 0.64 0.19 0.00 0.43 0.00 0.00 52.55 53.81 2fkx s ASP 20 Cb 0.00 -2.11 -0.21 0.00 -0.30 0.00 0.00 42.92 40.30 2fkx s ASP 20 CO 0.00 -0.19 0.77 1.07 -0.17 0.00 0.00 175.17 176.65 2fkx n THR 21 N -1.02 0.00 0.00 1.71 5.66 -1.26 -4.54 114.28 114.83 2fkx n THR 21 Ca -0.02 -0.08 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 2fkx n THR 21 Cb 0.54 0.94 0.00 0.00 -1.55 0.00 0.00 70.33 70.26 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 1.44 0.80 5.13 1.09 0.00 -1.26 -2.30 105.19 110.09 2fkx n GLY 22 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2fkx n GLY 22 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2fkx n SER 23 N 0.00 0.00 -0.13 1.61 7.64 -1.26 -1.93 113.62 119.55 2fkx n SER 23 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 2fkx n SER 23 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 2fkx n SER 23 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2fkx n THR 24 N 0.00 1.41 -0.29 0.44 -1.04 -1.26 -4.44 114.28 109.11 2fkx n THR 24 Ca 0.00 -0.39 0.06 0.00 -2.04 0.00 0.00 64.05 61.68 2fkx n THR 24 Cb 0.00 -1.75 0.21 0.00 -1.82 0.00 0.00 70.33 66.96 2fkx n THR 24 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2fkx h GLU 25 N -0.75 0.61 -0.68 -2.82 3.07 -1.79 0.11 114.58 112.33 2fkx h GLU 25 Ca -0.63 -0.04 0.08 0.00 -0.50 0.00 0.00 59.36 58.27 2fkx h GLU 25 Cb 1.63 -0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 29.36 2fkx h GLU 25 CO -0.34 0.40 0.45 -0.24 -1.40 0.00 0.00 179.01 177.88 2fkx h VAL 26 N 0.62 0.96 0.11 3.13 3.04 -1.78 0.26 116.25 122.59 2fkx h VAL 26 Ca 0.44 -0.21 -0.27 0.00 -1.01 0.00 0.00 66.70 65.65 2fkx h VAL 26 Cb 0.60 0.29 -0.00 0.00 -2.01 0.00 0.00 31.29 30.17 2fkx h VAL 26 CO -0.35 0.11 -1.24 -0.61 -1.01 0.00 0.00 177.57 174.48 2fkx h GLN 27 N 0.61 0.24 0.00 4.17 4.15 -1.23 -2.14 115.11 120.91 2fkx h GLN 27 Ca 0.31 -0.41 -0.11 0.00 0.77 0.00 0.00 58.65 59.21 2fkx h GLN 27 Cb 0.39 0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 2fkx h GLN 27 CO -0.10 1.18 -0.51 0.28 -1.93 0.00 0.00 178.83 177.76 2fkx h VAL 28 N 0.06 1.32 -0.55 2.39 2.07 -0.67 0.42 116.25 121.30 2fkx h VAL 28 Ca -0.13 -1.76 -0.04 0.00 0.82 0.00 0.00 66.70 65.60 2fkx h VAL 28 Cb 1.95 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 33.66 2fkx h VAL 28 CO 0.19 0.50 0.20 0.00 0.02 0.00 0.00 177.57 178.48 2fkx h ALA 29 N 1.49 0.71 0.02 1.67 0.00 -0.35 0.29 119.26 123.10 2fkx h ALA 29 Ca -0.01 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.52 2fkx h ALA 29 Cb 0.92 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2fkx h ALA 29 CO 0.07 0.34 -0.94 1.37 0.00 0.00 0.00 179.25 180.09 2fkx h LEU 30 N 0.75 0.25 -0.38 0.00 8.10 -0.99 -2.01 115.31 121.02 2fkx h LEU 30 Ca 0.18 -0.21 -0.08 0.00 0.11 0.00 0.00 57.88 57.87 2fkx h LEU 30 Cb 0.23 -0.08 -0.01 0.00 -0.44 0.00 0.00 40.66 40.36 2fkx h LEU 30 CO -0.01 1.05 -0.08 0.17 -4.11 0.00 0.00 178.44 175.46 2fkx h LEU 31 N 0.09 0.72 -0.57 0.17 8.10 0.16 0.55 115.31 124.54 2fkx h LEU 31 Ca -0.05 -0.36 -0.14 0.00 0.11 0.00 0.00 57.88 57.44 2fkx h LEU 31 Cb 1.60 -0.20 -0.01 0.00 -0.44 0.00 0.00 40.66 41.61 2fkx h LEU 31 CO 0.14 0.91 -0.37 0.74 -4.11 0.00 0.00 178.44 175.75 2fkx h THR 32 N 0.53 1.29 -0.50 0.15 2.02 -0.47 0.18 112.91 116.10 2fkx h THR 32 Ca 0.10 -1.53 -0.02 0.00 0.77 0.00 0.00 66.41 65.72 2fkx h THR 32 Cb 0.59 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 2fkx h THR 32 CO 0.04 0.50 0.24 0.25 0.37 0.00 0.00 175.52 176.91 2fkx h LEU 33 N 0.61 0.66 -0.35 2.58 5.85 -1.15 0.16 115.31 123.67 2fkx h LEU 33 Ca 0.06 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 2fkx h LEU 33 Cb 0.91 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 2fkx h LEU 33 CO 0.08 0.61 0.03 0.03 -0.34 0.00 0.00 178.44 178.85 2fkx h ARG 34 N 0.67 0.59 -0.76 1.25 2.47 -0.64 -0.49 114.38 117.47 2fkx h ARG 34 Ca 0.17 -0.17 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2fkx h ARG 34 Cb 0.13 -0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 28.35 2fkx h ARG 34 CO -0.02 0.69 0.45 0.82 0.56 0.00 0.00 179.97 182.46 2fkx h ILE 35 N 0.42 1.22 -0.65 2.04 2.04 -0.72 0.23 117.51 122.09 2fkx h ILE 35 Ca 0.10 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 2fkx h ILE 35 Cb 0.40 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 2fkx h ILE 35 CO 0.01 0.23 0.38 -1.13 0.00 0.00 0.00 178.15 177.65 2fkx h ASN 36 N 1.05 0.78 -0.53 1.72 -0.73 -0.38 0.51 115.58 117.99 2fkx h ASN 36 Ca 0.27 -0.07 -0.08 0.00 1.87 0.00 0.00 56.30 58.30 2fkx h ASN 36 Cb -0.02 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 38.35 2fkx h ASN 36 CO -0.05 0.62 0.04 0.03 -0.37 0.00 0.00 177.43 177.70 2fkx h ARG 37 N 0.88 0.92 -0.59 6.67 2.47 0.03 -2.01 114.38 122.74 2fkx h ARG 37 Ca 0.23 -0.27 -0.06 0.00 -1.26 0.00 0.00 59.98 58.61 2fkx h ARG 37 Cb -0.01 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.19 2fkx h ARG 37 CO -0.04 0.92 0.11 -0.07 0.56 0.00 0.00 179.97 181.45 2fkx h LEU 38 N 0.79 0.88 -0.39 3.04 3.38 -0.25 0.17 115.31 122.94 2fkx h LEU 38 Ca 0.16 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2fkx h LEU 38 Cb 0.48 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2fkx h LEU 38 CO 0.02 0.88 0.14 0.28 0.09 0.00 0.00 178.44 179.85 2fkx h SER 39 N 0.89 0.55 0.16 -0.43 0.02 -0.58 0.44 113.55 114.61 2fkx h SER 39 Ca 0.19 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2fkx h SER 39 Cb 0.36 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2fkx h SER 39 CO 0.00 0.59 -0.02 -1.84 -1.14 0.00 0.00 176.83 174.42 2fkx n GLU 40 N -4.63 0.94 0.03 3.45 -0.00 -0.78 -1.58 120.64 118.06 2fkx n GLU 40 Ca -0.00 -0.19 -0.22 0.00 -0.00 0.00 0.00 57.16 56.75 2fkx n GLU 40 Cb 0.16 -1.50 -0.14 0.00 -0.00 0.00 0.00 31.44 29.96 2fkx n GLU 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2fkx h HIS 41 N 0.45 0.53 0.00 -1.84 2.76 -0.33 -3.30 115.15 113.43 2fkx h HIS 41 Ca 0.00 -0.39 0.00 0.00 -2.20 0.00 0.00 60.37 57.78 2fkx h HIS 41 Cb 0.19 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.13 2fkx h HIS 41 CO 0.00 1.67 0.00 -0.07 -1.30 0.00 0.00 177.93 178.23 2fkx h LEU 42 N -0.08 0.00 -0.46 0.26 4.07 -0.61 0.34 115.31 118.83 2fkx h LEU 42 Ca -0.36 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.60 2fkx h LEU 42 Cb 1.94 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.68 2fkx h LEU 42 CO 0.10 0.00 0.00 1.17 -1.08 0.00 0.00 178.44 178.63 2fkx n LYS 43 N -2.31 1.30 0.04 1.13 3.00 -0.61 -2.70 118.16 118.01 2fkx n LYS 43 Ca 0.03 -0.46 0.00 0.00 -0.00 0.00 0.00 58.31 57.88 2fkx n LYS 43 Cb 0.28 -1.23 0.00 0.00 0.00 0.00 0.00 35.03 34.08 2fkx n LYS 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2fkx n VAL 44 N -0.24 0.84 -2.47 3.15 0.31 -0.53 -4.82 118.33 114.55 2fkx n VAL 44 Ca 0.10 0.28 -0.43 0.00 -0.01 0.00 0.00 64.34 64.28 2fkx n VAL 44 Cb 0.14 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 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 -3.35 4.20 1.87 3.52 8.25 0.11 -4.73 115.22 125.09 2fkx n HIS 45 Ca 0.00 -3.01 0.08 0.00 -0.26 0.00 0.00 57.72 54.53 2fkx n HIS 45 Cb 0.13 -2.36 0.43 0.00 1.12 0.00 0.00 29.99 29.31 2fkx n HIS 45 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 2fkx n LYS 46 N 6.25 1.12 0.00 -0.41 2.85 -1.10 -0.72 118.16 126.15 2fkx n LYS 46 Ca 0.44 -0.18 0.13 0.00 -1.05 0.00 0.00 58.31 57.66 2fkx n LYS 46 Cb 0.42 -1.26 0.39 0.00 -0.65 0.00 0.00 35.03 33.93 2fkx n LYS 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2fkx n LYS 47 N -0.56 0.72 -2.03 -1.58 4.76 -1.26 -4.95 118.16 113.26 2fkx n LYS 47 Ca 0.12 -0.40 -0.11 0.00 -2.87 0.00 0.00 58.31 55.05 2fkx n LYS 47 Cb 0.09 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 31.77 2fkx n LYS 47 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2fkx n ASP 48 N -0.79 -3.37 -4.94 4.39 5.75 0.10 -4.97 116.55 112.71 2fkx n ASP 48 Ca 0.12 0.24 -0.24 0.00 -0.01 0.00 0.00 54.79 54.90 2fkx n ASP 48 Cb 0.34 -3.00 0.03 0.00 -1.03 0.00 0.00 41.12 37.46 2fkx n ASP 48 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 2fkx s HIS 49 N -2.33 3.09 -1.91 2.11 3.76 -1.26 -3.84 115.29 114.91 2fkx s HIS 49 Ca 0.00 0.32 0.00 0.00 -0.15 0.00 0.00 55.06 55.23 2fkx s HIS 49 Cb 0.00 -2.68 0.00 0.00 1.11 0.00 0.00 32.58 31.01 2fkx s HIS 49 CO 0.00 -0.78 0.00 0.72 -0.85 0.00 0.00 174.74 173.83 2fkx n HIS 50 N -2.41 -0.18 0.00 1.40 8.25 -1.26 -4.70 115.22 116.32 2fkx n HIS 50 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2fkx n HIS 50 Cb 0.59 -3.28 0.00 0.00 1.12 0.00 0.00 29.99 28.42 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 -1.14 0.27 -1.83 0.41 7.64 -1.26 -4.86 113.62 112.85 2fkx n SER 51 Ca -0.19 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.60 2fkx n SER 51 Cb 0.63 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.72 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 -2.30 0.05 -0.08 1.43 -0.00 -1.25 -4.06 115.22 109.02 2fkx n HIS 52 Ca 0.00 -1.34 -0.16 0.00 -0.00 0.00 0.00 57.72 56.22 2fkx n HIS 52 Cb 0.10 -1.20 -0.12 0.00 -0.00 0.00 0.00 29.99 28.77 2fkx n HIS 52 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2fkx h ARG 53 N 2.27 0.00 -0.03 -0.41 3.08 -1.94 -3.43 114.38 113.91 2fkx h ARG 53 Ca 0.13 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.02 2fkx h ARG 53 Cb 1.31 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 31.12 2fkx h ARG 53 CO 0.17 0.99 -0.60 0.41 -1.07 0.00 0.00 179.97 179.87 2fkx n GLY 54 N 1.56 0.94 0.00 0.04 0.00 -1.26 -4.89 105.19 101.58 2fkx n GLY 54 Ca -0.17 -0.38 0.14 0.00 0.00 0.00 0.00 46.02 45.61 2fkx n GLY 54 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2fkx n LEU 55 N -0.06 0.00 0.06 0.99 -0.00 -1.26 -1.84 117.00 114.90 2fkx n LEU 55 Ca -0.13 0.05 -0.02 0.00 -0.00 0.00 0.00 56.01 55.91 2fkx n LEU 55 Cb 0.88 -0.05 0.24 0.00 -0.00 0.00 0.00 43.42 44.48 2fkx n LEU 55 CO -0.09 -0.01 0.72 -0.07 -0.00 0.00 0.00 177.39 177.94 2fkx h LEU 56 N 0.00 0.35 -1.10 1.47 3.38 -1.93 -1.09 115.31 116.40 2fkx h LEU 56 Ca 0.00 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 2fkx h LEU 56 Cb 0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2fkx h LEU 56 CO 0.00 0.65 -0.45 -0.03 0.09 0.00 0.00 178.44 178.70 2fkx h MET 57 N 0.30 0.00 -0.01 1.13 4.05 -1.77 0.34 114.93 118.96 2fkx h MET 57 Ca 0.04 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.46 2fkx h MET 57 Cb 0.69 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.49 2fkx h MET 57 CO 0.05 0.45 -0.01 0.52 0.23 0.00 0.00 176.91 178.15 2fkx h MET 58 N 0.00 0.03 -0.62 0.39 2.86 -1.42 0.39 114.93 116.57 2fkx h MET 58 Ca -0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2fkx h MET 58 Cb 0.80 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.43 2fkx h MET 58 CO 0.06 0.50 0.40 0.28 1.06 0.00 0.00 176.91 179.21 2fkx h VAL 59 N -0.43 1.16 -0.48 -2.22 2.07 -1.08 -1.06 116.25 114.21 2fkx h VAL 59 Ca 0.00 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 2fkx h VAL 59 Cb 0.50 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 2fkx h VAL 59 CO 0.00 0.16 0.10 1.23 0.02 0.00 0.00 177.57 179.09 2fkx h GLY 60 N 0.83 0.79 1.56 2.17 0.00 -0.26 -0.73 103.07 107.43 2fkx h GLY 60 Ca 0.22 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 47.01 2fkx h GLY 60 CO -0.05 0.42 -0.24 -1.61 0.00 0.00 0.00 176.54 175.06 2fkx h GLN 61 N 0.71 0.51 -0.35 4.80 4.15 0.40 0.11 115.11 125.44 2fkx h GLN 61 Ca 0.16 -0.19 -0.09 0.00 0.77 0.00 0.00 58.65 59.30 2fkx h GLN 61 Cb 0.29 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 2fkx h GLN 61 CO -0.00 0.72 -0.13 -0.09 -1.93 0.00 0.00 178.83 177.39 2fkx h ARG 62 N 0.45 0.70 -0.24 1.69 2.43 -0.66 -1.56 114.38 117.19 2fkx h ARG 62 Ca 0.07 -0.29 -0.04 0.00 -0.81 0.00 0.00 59.98 58.90 2fkx h ARG 62 Cb 0.67 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 2fkx h ARG 62 CO 0.05 0.89 -0.03 0.00 -1.51 0.00 0.00 179.97 179.36 2fkx h ARG 63 N 0.48 0.36 0.23 0.20 3.08 -0.66 -0.66 114.38 117.41 2fkx h ARG 63 Ca 0.08 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 2fkx h ARG 63 Cb 0.66 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2fkx h ARG 63 CO 0.04 0.41 -0.11 0.00 -1.07 0.00 0.00 179.97 179.24 2fkx h ARG 64 N 0.35 -0.30 0.00 0.04 3.08 -0.37 -2.77 114.38 114.41 2fkx h ARG 64 Ca 0.08 0.02 -0.12 0.00 0.07 0.00 0.00 59.98 60.02 2fkx h ARG 64 Cb 0.29 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 2fkx h ARG 64 CO 0.01 0.00 -0.59 -0.07 -1.07 0.00 0.00 179.97 178.26 2fkx h LEU 65 N -0.62 0.00 -1.02 3.04 -0.00 -1.17 -2.49 115.31 113.05 2fkx h LEU 65 Ca -0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.77 2fkx h LEU 65 Cb 0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.09 2fkx h LEU 65 CO 0.05 0.59 -0.14 0.17 -0.00 0.00 0.00 178.44 179.11 2fkx h LEU 66 N 0.00 0.52 -1.07 1.67 8.10 -1.20 -2.28 115.31 121.05 2fkx h LEU 66 Ca -0.01 -0.14 -0.04 0.00 0.11 0.00 0.00 57.88 57.80 2fkx h LEU 66 Cb 1.35 -0.14 -0.03 0.00 -0.44 0.00 0.00 40.66 41.40 2fkx h LEU 66 CO 0.08 0.69 0.24 -0.09 -4.11 0.00 0.00 178.44 175.25 2fkx h ARG 67 N 0.49 0.90 -0.04 0.17 2.43 -1.22 -0.44 114.38 116.67 2fkx h ARG 67 Ca 0.09 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2fkx h ARG 67 Cb 0.53 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2fkx h ARG 67 CO 0.03 0.74 0.02 -0.92 -1.51 0.00 0.00 179.97 178.33 2fkx h TYR 68 N 0.89 0.05 0.00 2.20 3.20 -0.98 -2.56 116.97 119.77 2fkx h TYR 68 Ca 0.21 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 2fkx h TYR 68 Cb 0.18 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.43 2fkx h TYR 68 CO 0.01 0.18 0.00 1.28 -1.64 0.00 0.00 178.16 177.99 2fkx n LEU 69 N -4.99 0.00 0.00 2.82 4.77 -0.93 -1.58 117.00 117.09 2fkx n LEU 69 Ca -0.07 0.43 0.07 0.00 -0.03 0.00 0.00 56.01 56.41 2fkx n LEU 69 Cb 0.10 -0.43 0.43 0.00 -2.33 0.00 0.00 43.42 41.19 2fkx n LEU 69 CO 0.33 -0.07 0.71 0.00 -1.33 0.00 0.00 177.39 177.04 2fkx n GLN 70 N -1.43 0.81 0.02 3.23 6.02 -0.20 -1.14 117.38 124.69 2fkx n GLN 70 Ca 0.08 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 57.06 2fkx n GLN 70 Cb 0.26 -1.28 -0.09 0.00 1.02 0.00 0.00 30.24 30.15 2fkx n GLN 70 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2fkx n ARG 71 N -0.78 0.63 -0.06 -1.09 5.12 -0.62 -3.07 116.66 116.79 2fkx n ARG 71 Ca 0.11 0.19 -0.03 0.00 -1.93 0.00 0.00 57.85 56.19 2fkx n ARG 71 Cb 0.05 -1.78 -0.01 0.00 -1.16 0.00 0.00 32.46 29.56 2fkx n ARG 71 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2fkx h GLU 72 N 0.00 0.00 -3.82 5.56 4.39 -1.53 -3.43 114.58 115.75 2fkx h GLU 72 Ca -0.19 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 58.86 2fkx h GLU 72 Cb 1.63 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.87 2fkx h GLU 72 CO 0.04 0.00 -0.67 -0.51 -1.16 0.00 0.00 179.01 176.72 2fkx s ASP 73 N -5.61 4.44 0.03 1.42 1.01 -0.29 -4.97 116.67 112.70 2fkx s ASP 73 Ca -0.11 -2.69 0.21 0.00 0.71 0.00 0.00 52.55 50.67 2fkx s ASP 73 Cb 0.02 -1.60 0.87 0.00 1.01 0.00 0.00 42.92 43.21 2fkx s ASP 73 CO 0.17 -0.29 1.66 -2.65 0.21 0.00 0.00 175.17 174.26 2fkx n PRO 74 N 3.54 0.03 0.00 8.23 -0.02 -1.17 -1.06 135.00 144.54 2fkx n PRO 74 Ca 0.05 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 2fkx n PRO 74 Cb 0.36 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 2fkx n PRO 74 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2fkx n GLU 75 N -1.59 0.00 -0.12 -0.52 -0.00 -1.26 -4.55 120.64 112.60 2fkx n GLU 75 Ca 0.05 0.29 0.12 0.00 -0.00 0.00 0.00 57.16 57.62 2fkx n GLU 75 Cb 0.24 -0.77 0.26 0.00 -0.00 0.00 0.00 31.44 31.18 2fkx n GLU 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2fkx n ARG 76 N -1.75 2.21 -4.21 3.44 0.00 -1.26 -4.85 116.66 110.23 2fkx n ARG 76 Ca 0.00 -1.81 -0.32 0.00 -0.00 0.00 0.00 57.85 55.72 2fkx n ARG 76 Cb 0.00 -1.47 -0.06 0.00 0.00 0.00 0.00 32.46 30.93 2fkx n ARG 76 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.63 180.11 2fkx n TYR 77 N 1.05 -1.46 0.33 -0.14 4.11 -0.23 -4.78 117.16 116.05 2fkx n TYR 77 Ca 0.18 0.70 0.20 0.00 -0.00 0.00 0.00 57.90 58.98 2fkx n TYR 77 Cb 0.51 -3.01 1.09 0.00 -0.00 0.00 0.00 39.34 37.92 2fkx n TYR 77 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.86 176.77 2fkx h ARG 78 N -1.63 0.00 0.00 -3.48 2.43 -1.83 0.39 114.38 110.25 2fkx h ARG 78 Ca -0.63 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.54 2fkx h ARG 78 Cb 1.39 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.94 2fkx h ARG 78 CO 0.72 0.00 -0.11 0.00 -1.51 0.00 0.00 179.97 179.07 2fkx h ALA 79 N 1.81 0.94 0.00 2.80 0.00 -1.85 -1.98 119.26 120.98 2fkx h ALA 79 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 2fkx h ALA 79 Cb 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2fkx h ALA 79 CO -0.00 0.00 -1.06 1.25 0.00 0.00 0.00 179.25 179.44 2fkx h LEU 80 N 0.00 0.00 -0.70 0.00 5.85 -0.56 -0.69 115.31 119.22 2fkx h LEU 80 Ca 0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 2fkx h LEU 80 Cb 0.88 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 2fkx h LEU 80 CO 0.00 0.77 -0.62 0.16 -0.34 0.00 0.00 178.44 178.41 2fkx h ILE 81 N 0.00 1.42 0.14 4.05 -0.00 -1.34 0.64 117.51 122.42 2fkx h ILE 81 Ca -0.09 -2.06 -0.01 0.00 -0.00 0.00 0.00 64.86 62.71 2fkx h ILE 81 Cb 1.66 2.08 0.00 0.00 -0.00 0.00 0.00 36.82 40.56 2fkx h ILE 81 CO 0.09 0.60 -0.07 -0.08 -0.00 0.00 0.00 178.15 178.69 2fkx h GLU 82 N 0.09 -0.18 -0.16 0.16 4.81 -1.29 -0.24 114.58 117.78 2fkx h GLU 82 Ca -0.01 0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.09 2fkx h GLU 82 Cb 1.11 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 2fkx h GLU 82 CO 0.09 0.17 -0.52 0.87 -0.73 0.00 0.00 179.01 178.90 2fkx h LYS 83 N -0.56 0.45 0.00 1.92 1.79 -1.00 -2.78 116.57 116.39 2fkx h LYS 83 Ca -0.02 -0.27 -0.11 0.00 -2.18 0.00 0.00 60.65 58.08 2fkx h LYS 83 Cb 0.44 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.10 2fkx h LYS 83 CO 0.03 0.86 -0.50 -0.07 -1.08 0.00 0.00 179.45 178.69 2fkx h LEU 84 N 0.35 0.00 -1.77 2.94 3.38 -0.98 -3.48 115.31 115.76 2fkx h LEU 84 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2fkx h LEU 84 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2fkx h LEU 84 CO 0.09 0.50 0.00 0.61 0.09 0.00 0.00 178.44 179.74 2fkx n GLY 85 N 0.95 0.77 0.09 0.83 0.00 -0.85 -5.00 105.19 101.99 2fkx n GLY 85 Ca 0.01 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 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 1.08 0.00 -0.61 2.04 -1.32 -3.29 117.51 115.41 2fkx h ILE 86 Ca 0.00 -2.82 0.00 0.00 1.00 0.00 0.00 64.86 63.04 2fkx h ILE 86 Cb 0.66 2.62 0.00 0.00 -0.74 0.00 0.00 36.82 39.36 2fkx h ILE 86 CO 0.00 0.73 -0.91 0.54 0.00 0.00 0.00 178.15 178.51 2fkx n ARG 87 N -3.29 0.30 0.00 2.37 1.74 -1.26 -5.12 116.66 111.41 2fkx n ARG 87 Ca -0.15 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 2fkx n ARG 87 Cb 1.03 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.84 2fkx n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52