#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 0.00 0.00 0.52 5.41 -1.26 -5.04 119.36 118.99 2fkx n ILE 2 Ca 0.00 0.39 0.00 0.00 1.00 0.00 0.00 62.75 64.14 2fkx n ILE 2 Cb 0.00 -1.33 0.00 0.00 -0.71 0.00 0.00 39.64 37.60 2fkx n ILE 2 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2fkx n THR 3 N -2.10 0.00 0.00 1.39 5.66 -1.26 -5.03 114.28 112.94 2fkx n THR 3 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2fkx n THR 3 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2fkx n THR 3 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2fkx n LYS 4 N 0.00 0.00 0.00 1.09 0.00 -1.26 -3.68 118.16 114.31 2fkx n LYS 4 Ca 0.00 0.23 0.14 0.00 0.00 0.00 0.00 58.31 58.69 2fkx n LYS 4 Cb 0.00 -0.71 0.68 0.00 0.00 0.00 0.00 35.03 35.01 2fkx n LYS 4 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2fkx n GLU 5 N -2.10 0.42 0.40 1.64 1.02 -1.26 -1.32 120.64 119.44 2fkx n GLU 5 Ca 0.00 -0.06 -0.16 0.00 -0.02 0.00 0.00 57.16 56.92 2fkx n GLU 5 Cb 0.00 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 29.85 2fkx n GLU 5 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2fkx h GLU 6 N 0.14 -1.00 0.15 3.49 3.07 -1.96 0.20 114.58 118.66 2fkx h GLU 6 Ca 0.00 0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.92 2fkx h GLU 6 Cb 0.34 0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 2fkx h GLU 6 CO 0.00 -0.67 -0.07 -0.22 -1.40 0.00 0.00 179.01 176.65 2fkx h LYS 7 N -1.22 -0.19 -0.27 2.33 3.11 -1.61 -2.62 116.57 116.09 2fkx h LYS 7 Ca -0.11 0.01 0.02 0.00 -2.81 0.00 0.00 60.65 57.77 2fkx h LYS 7 Cb 0.80 0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 32.04 2fkx h LYS 7 CO 0.17 0.00 0.11 0.37 -2.81 0.00 0.00 179.45 177.29 2fkx h GLN 8 N -0.35 0.23 -0.20 1.90 4.15 -1.27 -0.75 115.11 118.82 2fkx h GLN 8 Ca -0.02 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 2fkx h GLN 8 Cb 0.28 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 2fkx h GLN 8 CO 0.03 0.15 -0.03 0.87 -1.93 0.00 0.00 178.83 177.93 2fkx h LYS 9 N 0.24 0.37 -0.44 1.69 1.57 -0.98 -1.37 116.57 117.65 2fkx h LYS 9 Ca 0.12 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 2fkx h LYS 9 Cb 0.07 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2fkx h LYS 9 CO -0.11 0.61 0.09 0.28 -0.57 0.00 0.00 179.45 179.75 2fkx h VAL 10 N 0.10 1.20 -0.06 0.50 2.07 -1.31 0.97 116.25 119.72 2fkx h VAL 10 Ca 0.05 -0.74 -0.13 0.00 0.82 0.00 0.00 66.70 66.71 2fkx h VAL 10 Cb 0.46 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2fkx h VAL 10 CO 0.02 0.27 -0.54 0.40 0.02 0.00 0.00 177.57 177.74 2fkx h ILE 11 N 0.64 1.37 0.07 4.57 5.03 -1.06 0.03 117.51 128.17 2fkx h ILE 11 Ca 0.14 -1.83 -0.29 0.00 -0.12 0.00 0.00 64.86 62.76 2fkx h ILE 11 Cb 0.27 1.92 -0.02 0.00 -3.03 0.00 0.00 36.82 35.96 2fkx h ILE 11 CO -0.00 0.54 -1.50 -0.61 -0.68 0.00 0.00 178.15 175.90 2fkx h GLN 12 N 0.14 0.15 -0.17 2.37 4.15 -0.49 -3.14 115.11 118.11 2fkx h GLN 12 Ca 0.00 -0.25 -0.17 0.00 0.77 0.00 0.00 58.65 59.00 2fkx h GLN 12 Cb 0.99 0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.77 2fkx h GLN 12 CO 0.08 0.96 -0.60 0.93 -1.93 0.00 0.00 178.83 178.27 2fkx h GLU 13 N 0.04 0.57 0.00 1.69 5.08 0.11 -3.46 114.58 118.61 2fkx h GLU 13 Ca -0.22 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 57.75 2fkx h GLU 13 Cb 1.97 0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.28 2fkx h GLU 13 CO 0.13 1.00 0.00 1.19 -1.00 0.00 0.00 179.01 180.34 2fkx n PHE 14 N -3.94 0.00 0.00 4.33 3.72 -0.09 -4.55 117.46 116.93 2fkx n PHE 14 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 2fkx n PHE 14 Cb 0.64 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 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 -1.30 0.00 -1.74 4.37 0.00 -0.68 -2.17 120.51 118.99 2fkx n ALA 15 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 2fkx n ALA 15 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -1.52 -4.18 0.00 5.12 -1.26 -4.48 116.66 110.34 2fkx n ARG 16 Ca 0.00 0.96 -0.14 0.00 -1.93 0.00 0.00 57.85 56.74 2fkx n ARG 16 Cb 0.00 -5.37 -0.11 0.00 -1.16 0.00 0.00 32.46 25.83 2fkx n ARG 16 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2fkx s PHE 17 N -2.56 1.04 -0.57 -1.55 0.08 -1.26 -5.03 117.98 108.13 2fkx s PHE 17 Ca 0.00 -0.69 -0.26 0.00 0.12 0.00 0.00 56.93 56.10 2fkx s PHE 17 Cb 0.00 -0.57 -0.06 0.00 -0.57 0.00 0.00 43.02 41.82 2fkx s PHE 17 CO 0.00 -0.02 2.23 -2.14 -0.10 0.00 0.00 175.22 175.20 2fkx s PRO 18 N -2.94 2.22 0.00 0.24 0.02 -1.26 0.02 135.00 133.30 2fkx s PRO 18 Ca 0.06 1.03 0.00 0.00 0.02 0.00 0.00 61.00 62.11 2fkx s PRO 18 Cb -0.02 -4.57 0.00 0.00 0.02 0.00 0.00 34.50 29.94 2fkx s PRO 18 CO -0.01 -3.23 0.00 0.41 -0.33 0.00 0.00 177.00 173.84 2fkx n GLY 19 N 6.02 -0.15 2.22 0.52 0.00 -1.26 -5.09 105.19 107.45 2fkx n GLY 19 Ca 0.33 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 0.53 -0.66 1.61 2.03 0.10 -4.80 116.55 115.37 2fkx n ASP 20 Ca 0.00 0.71 0.09 0.00 0.52 0.00 0.00 54.79 56.12 2fkx n ASP 20 Cb 0.00 -0.54 0.30 0.00 -0.72 0.00 0.00 41.12 40.16 2fkx n ASP 20 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2fkx n THR 21 N 2.01 0.33 -2.84 5.18 5.66 -1.26 -4.91 114.28 118.45 2fkx n THR 21 Ca 0.17 -0.44 -0.09 0.00 -3.05 0.00 0.00 64.05 60.64 2fkx n THR 21 Cb -0.01 0.40 0.04 0.00 -1.55 0.00 0.00 70.33 69.20 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 1.16 0.19 3.76 1.09 0.00 -1.26 -5.00 105.19 105.14 2fkx n GLY 22 Ca 0.16 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.35 7.49 0.55 1.61 0.01 -1.26 -4.90 113.70 113.85 2fkx s SER 23 Ca 0.15 1.92 0.22 0.00 1.31 0.00 0.00 55.95 59.56 2fkx s SER 23 Cb -0.07 -2.60 1.53 0.00 0.21 0.00 0.00 66.02 65.09 2fkx s SER 23 CO 0.33 0.04 2.19 0.74 0.41 0.00 0.00 173.24 176.95 2fkx h THR 24 N 2.91 0.78 0.01 1.44 2.02 -1.95 -2.26 112.91 115.86 2fkx h THR 24 Ca -0.46 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.75 2fkx h THR 24 Cb 1.20 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 68.56 2fkx h THR 24 CO 0.67 0.00 -0.27 -0.33 0.37 0.00 0.00 175.52 175.96 2fkx h GLU 25 N 0.00 -0.40 -0.08 6.66 4.39 -1.85 -1.94 114.58 121.36 2fkx h GLU 25 Ca 0.00 0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.75 2fkx h GLU 25 Cb 0.02 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2fkx h GLU 25 CO -0.00 -0.27 0.05 -0.24 -1.16 0.00 0.00 179.01 177.40 2fkx h VAL 26 N -0.42 0.98 0.07 3.13 3.04 -0.89 0.21 116.25 122.36 2fkx h VAL 26 Ca 0.06 -0.01 -0.28 0.00 -1.01 0.00 0.00 66.70 65.46 2fkx h VAL 26 Cb 0.50 0.94 0.02 0.00 -2.01 0.00 0.00 31.29 30.74 2fkx h VAL 26 CO -0.23 0.01 -1.14 1.56 -1.01 0.00 0.00 177.57 176.76 2fkx h GLN 27 N 0.03 0.60 0.00 4.17 4.20 -1.40 0.30 115.11 123.01 2fkx h GLN 27 Ca 0.03 -0.73 -0.13 0.00 0.06 0.00 0.00 58.65 57.89 2fkx h GLN 27 Cb 0.10 0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 2fkx h GLN 27 CO -0.00 1.31 -0.61 0.28 -0.67 0.00 0.00 178.83 179.14 2fkx h VAL 28 N 0.29 1.42 -0.34 -0.54 2.07 -0.89 0.25 116.25 118.52 2fkx h VAL 28 Ca -0.15 -2.09 -0.06 0.00 0.82 0.00 0.00 66.70 65.22 2fkx h VAL 28 Cb 1.80 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 33.69 2fkx h VAL 28 CO 0.22 0.59 -0.03 0.00 0.02 0.00 0.00 177.57 178.37 2fkx h ALA 29 N 1.39 0.46 0.00 1.67 0.00 -0.40 0.26 119.26 122.65 2fkx h ALA 29 Ca -0.01 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 2fkx h ALA 29 Cb 1.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2fkx h ALA 29 CO 0.08 0.25 -0.48 1.37 0.00 0.00 0.00 179.25 180.47 2fkx h LEU 30 N 0.42 0.00 -0.08 0.00 8.10 -0.16 0.17 115.31 123.75 2fkx h LEU 30 Ca 0.09 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.07 2fkx h LEU 30 Cb 0.50 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.71 2fkx h LEU 30 CO 0.02 0.48 -0.01 0.17 -4.11 0.00 0.00 178.44 174.99 2fkx h LEU 31 N 0.00 0.14 -0.55 0.17 8.10 -0.22 -0.13 115.31 122.82 2fkx h LEU 31 Ca -0.00 -0.36 -0.10 0.00 0.11 0.00 0.00 57.88 57.53 2fkx h LEU 31 Cb 1.07 -0.04 -0.02 0.00 -0.44 0.00 0.00 40.66 41.23 2fkx h LEU 31 CO 0.06 0.47 -0.04 0.74 -4.11 0.00 0.00 178.44 175.56 2fkx h THR 32 N -0.18 1.27 -0.70 0.15 2.02 -0.82 0.18 112.91 114.81 2fkx h THR 32 Ca 0.02 -1.18 -0.05 0.00 0.77 0.00 0.00 66.41 65.96 2fkx h THR 32 Cb 0.40 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 2fkx h THR 32 CO 0.01 0.42 0.23 0.25 0.37 0.00 0.00 175.52 176.79 2fkx h LEU 33 N 0.88 1.00 -0.06 2.58 7.12 -0.95 -0.05 115.31 125.84 2fkx h LEU 33 Ca 0.15 -0.18 -0.01 0.00 0.13 0.00 0.00 57.88 57.97 2fkx h LEU 33 Cb 0.60 -0.26 -0.00 0.00 -0.53 0.00 0.00 40.66 40.46 2fkx h LEU 33 CO 0.04 0.93 -0.01 -0.09 -0.13 0.00 0.00 178.44 179.17 2fkx h ARG 34 N 1.04 0.11 -0.49 1.25 2.43 -0.57 -0.77 114.38 117.38 2fkx h ARG 34 Ca 0.23 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.45 2fkx h ARG 34 Cb 0.28 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.75 2fkx h ARG 34 CO -0.01 0.44 0.05 0.82 -1.51 0.00 0.00 179.97 179.76 2fkx h ILE 35 N -0.22 0.67 0.05 1.20 1.08 -0.37 0.72 117.51 120.63 2fkx h ILE 35 Ca 0.02 -0.06 -0.00 0.00 -0.39 0.00 0.00 64.86 64.42 2fkx h ILE 35 Cb 0.40 0.48 0.00 0.00 -3.07 0.00 0.00 36.82 34.63 2fkx h ILE 35 CO 0.01 0.03 -0.02 0.78 -0.69 0.00 0.00 178.15 178.25 2fkx h ASN 36 N 0.17 -0.06 0.36 1.72 2.35 -0.96 -2.55 115.58 116.61 2fkx h ASN 36 Ca 0.25 -0.19 -0.11 0.00 -0.55 0.00 0.00 56.30 55.70 2fkx h ASN 36 Cb 0.36 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 2fkx h ASN 36 CO -0.37 0.16 -0.45 0.03 -1.65 0.00 0.00 177.43 175.15 2fkx h ARG 37 N -0.27 0.12 0.21 0.81 2.47 -0.74 0.20 114.38 117.18 2fkx h ARG 37 Ca -0.01 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.64 2fkx h ARG 37 Cb 0.24 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 2fkx h ARG 37 CO 0.01 0.55 -0.10 -0.07 0.56 0.00 0.00 179.97 180.93 2fkx h LEU 38 N 0.10 -0.23 -0.47 3.04 3.38 -0.85 -0.51 115.31 119.78 2fkx h LEU 38 Ca 0.01 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.65 2fkx h LEU 38 Cb 0.84 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2fkx h LEU 38 CO 0.06 0.07 -0.23 0.77 0.09 0.00 0.00 178.44 179.20 2fkx h SER 39 N -0.55 1.01 1.06 -0.43 4.64 -1.34 -2.35 113.55 115.60 2fkx h SER 39 Ca -0.03 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2fkx h SER 39 Cb 0.41 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2fkx h SER 39 CO 0.05 1.19 0.00 -0.62 -0.87 0.00 0.00 176.83 176.58 2fkx n GLU 40 N -4.12 0.22 0.09 4.77 -0.58 0.71 -1.29 120.64 120.42 2fkx n GLU 40 Ca -0.00 0.32 -0.17 0.00 -0.42 0.00 0.00 57.16 56.88 2fkx n GLU 40 Cb 0.47 -1.83 -0.14 0.00 -0.57 0.00 0.00 31.44 29.37 2fkx n GLU 40 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2fkx h HIS 41 N 0.00 0.50 0.00 -0.32 3.86 -0.79 -3.15 115.15 115.25 2fkx h HIS 41 Ca 0.00 -0.37 0.00 0.00 -1.16 0.00 0.00 60.37 58.84 2fkx h HIS 41 Cb 0.53 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.98 2fkx h HIS 41 CO 0.00 1.35 0.00 1.28 0.86 0.00 0.00 177.93 181.42 2fkx n LEU 42 N -3.50 0.59 0.05 2.43 4.32 -0.85 -0.70 117.00 119.33 2fkx n LEU 42 Ca -0.13 0.60 0.12 0.00 -0.02 0.00 0.00 56.01 56.58 2fkx n LEU 42 Cb 1.04 -0.48 0.47 0.00 -1.62 0.00 0.00 43.42 42.84 2fkx n LEU 42 CO 0.53 -0.36 0.87 1.17 -1.22 0.00 0.00 177.39 178.38 2fkx n LYS 43 N -2.10 0.10 -0.12 3.23 4.81 -0.42 -3.32 118.16 120.34 2fkx n LYS 43 Ca 0.04 0.18 -0.24 0.00 -0.87 0.00 0.00 58.31 57.42 2fkx n LYS 43 Cb 0.30 -1.64 -0.09 0.00 0.02 0.00 0.00 35.03 33.62 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 -1.83 1.29 -1.58 3.15 0.31 -0.49 -5.01 118.33 114.17 2fkx n VAL 44 Ca 0.05 -0.35 -0.36 0.00 -0.01 0.00 0.00 64.34 63.67 2fkx n VAL 44 Cb 0.31 -1.76 0.08 0.00 -0.91 0.00 0.00 33.84 31.56 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 -3.95 1.56 -0.06 3.52 8.25 0.12 -4.99 115.22 119.68 2fkx n HIS 45 Ca -0.46 0.42 -0.04 0.00 -0.26 0.00 0.00 57.72 57.38 2fkx n HIS 45 Cb 0.84 -2.21 -0.02 0.00 1.12 0.00 0.00 29.99 29.72 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 0.22 0.00 0.00 -0.41 1.57 -1.91 -3.46 116.57 112.57 2fkx h LYS 46 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2fkx h LYS 46 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.65 2fkx h LYS 46 CO 0.51 0.13 0.00 1.63 -0.57 0.00 0.00 179.45 181.15 2fkx n LYS 47 N -4.68 0.00 -2.83 3.15 5.02 -1.26 -5.10 118.16 112.46 2fkx n LYS 47 Ca -0.06 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.23 2fkx n LYS 47 Cb 0.19 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.19 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 -1.41 -7.22 -3.41 4.39 9.92 -1.26 -4.61 116.55 112.95 2fkx n ASP 48 Ca 0.00 1.19 -0.34 0.00 -0.53 0.00 0.00 54.79 55.11 2fkx n ASP 48 Cb 0.00 -4.40 -0.07 0.00 -0.64 0.00 0.00 41.12 36.02 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 0.95 0.79 -1.57 1.24 8.25 -1.26 -2.26 115.22 121.36 2fkx n HIS 49 Ca -0.03 -1.12 -0.00 0.00 -0.26 0.00 0.00 57.72 56.31 2fkx n HIS 49 Cb 0.16 -1.16 -0.00 0.00 1.12 0.00 0.00 29.99 30.11 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 7.20 0.00 -1.52 4.41 8.25 -1.26 -5.11 115.22 127.19 2fkx n HIS 50 Ca 0.40 -0.01 -0.29 0.00 -0.26 0.00 0.00 57.72 57.56 2fkx n HIS 50 Cb 0.31 0.21 -0.15 0.00 1.12 0.00 0.00 29.99 31.48 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 0.00 0.26 0.00 0.41 7.64 -0.96 -1.75 113.62 119.22 2fkx n SER 51 Ca -0.00 -0.45 0.00 0.00 1.01 0.00 0.00 58.87 59.43 2fkx n SER 51 Cb 0.29 -1.01 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 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 11.01 0.00 -0.10 1.43 8.25 -1.26 -4.83 115.22 129.71 2fkx n HIS 52 Ca 0.59 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.96 2fkx n HIS 52 Cb 0.21 -1.83 0.06 0.00 1.12 0.00 0.00 29.99 29.55 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 0.00 0.83 -0.00 -0.41 2.43 -1.77 -2.55 114.38 112.91 2fkx h ARG 53 Ca 0.00 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 2fkx h ARG 53 Cb 0.78 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 2fkx h ARG 53 CO 0.00 0.98 -0.71 0.41 -1.51 0.00 0.00 179.97 179.14 2fkx n GLY 54 N -0.18 -0.91 0.58 2.80 0.00 -1.26 -4.03 105.19 102.19 2fkx n GLY 54 Ca -0.00 -0.51 0.08 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.24 1.71 0.05 0.99 4.77 -0.98 -3.51 117.00 118.79 2fkx n LEU 55 Ca 0.06 -0.79 0.02 0.00 -0.03 0.00 0.00 56.01 55.26 2fkx n LEU 55 Cb 0.35 -0.17 0.37 0.00 -2.33 0.00 0.00 43.42 41.64 2fkx n LEU 55 CO 0.37 0.40 0.97 -0.07 -1.33 0.00 0.00 177.39 177.73 2fkx h LEU 56 N 2.04 0.38 -1.14 2.23 3.38 -1.64 -1.22 115.31 119.33 2fkx h LEU 56 Ca 0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2fkx h LEU 56 Cb 0.46 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2fkx h LEU 56 CO 0.00 0.44 0.34 -0.03 0.09 0.00 0.00 178.44 179.27 2fkx h MET 57 N 0.40 0.93 0.00 1.13 4.05 -1.88 -1.73 114.93 117.84 2fkx h MET 57 Ca 0.09 -0.11 -0.14 0.00 -0.28 0.00 0.00 59.70 59.26 2fkx h MET 57 Cb 0.25 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 30.85 2fkx h MET 57 CO 0.00 0.71 -0.67 0.00 0.23 0.00 0.00 176.91 177.18 2fkx h MET 58 N 0.93 0.00 -0.46 0.39 -0.00 -1.48 0.21 114.93 114.53 2fkx h MET 58 Ca 0.23 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.89 2fkx h MET 58 Cb 0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.65 2fkx h MET 58 CO -0.03 0.67 0.12 0.28 -0.00 0.00 0.00 176.91 177.94 2fkx h VAL 59 N 0.00 1.23 -0.30 -0.10 2.07 -1.05 0.06 116.25 118.16 2fkx h VAL 59 Ca -0.01 -0.81 -0.15 0.00 0.82 0.00 0.00 66.70 66.55 2fkx h VAL 59 Cb 1.20 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 2fkx h VAL 59 CO 0.09 0.29 -0.42 1.23 0.02 0.00 0.00 177.57 178.78 2fkx h GLY 60 N 0.61 0.82 2.00 2.17 0.00 -1.10 -2.78 103.07 104.79 2fkx h GLY 60 Ca 0.14 -0.84 -0.06 0.00 0.00 0.00 0.00 47.33 46.57 2fkx h GLY 60 CO 0.00 0.76 -0.30 -1.61 0.00 0.00 0.00 176.54 175.39 2fkx h GLN 61 N 0.61 0.00 0.11 4.80 5.75 -0.38 0.16 115.11 126.16 2fkx h GLN 61 Ca 0.05 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 2fkx h GLN 61 Cb 0.97 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.52 2fkx h GLN 61 CO 0.09 0.30 -0.06 -0.09 -2.65 0.00 0.00 178.83 176.43 2fkx h ARG 62 N 0.00 -0.15 -0.80 1.69 2.43 -0.80 0.36 114.38 117.11 2fkx h ARG 62 Ca -0.00 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 2fkx h ARG 62 Cb 0.55 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.10 2fkx h ARG 62 CO 0.04 0.19 0.43 -0.09 -1.51 0.00 0.00 179.97 179.03 2fkx h ARG 63 N -0.50 1.12 0.07 0.20 2.43 -1.23 -0.99 114.38 115.48 2fkx h ARG 63 Ca -0.02 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.04 2fkx h ARG 63 Cb 0.40 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 2fkx h ARG 63 CO 0.03 0.83 -0.13 -0.09 -1.51 0.00 0.00 179.97 179.09 2fkx h ARG 64 N 1.12 -0.25 -0.09 0.20 2.43 -0.79 -0.08 114.38 116.92 2fkx h ARG 64 Ca 0.28 0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.33 2fkx h ARG 64 Cb 0.04 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2fkx h ARG 64 CO -0.04 -0.17 -0.57 -0.07 -1.51 0.00 0.00 179.97 177.61 2fkx h LEU 65 N -0.26 0.32 -0.49 3.80 3.38 -0.69 0.60 115.31 121.96 2fkx h LEU 65 Ca 0.02 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 2fkx h LEU 65 Cb 0.28 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2fkx h LEU 65 CO -0.08 0.82 -0.11 -0.07 0.09 0.00 0.00 178.44 179.09 2fkx h LEU 66 N 0.22 0.95 -0.47 1.67 3.38 -1.04 0.61 115.31 120.62 2fkx h LEU 66 Ca -0.00 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.53 2fkx h LEU 66 Cb 1.06 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 2fkx h LEU 66 CO 0.09 1.08 -0.03 -0.09 0.09 0.00 0.00 178.44 179.58 2fkx h ARG 67 N 0.80 0.85 -0.07 1.13 2.43 -0.83 -0.65 114.38 118.04 2fkx h ARG 67 Ca 0.13 -0.29 0.02 0.00 -0.81 0.00 0.00 59.98 59.03 2fkx h ARG 67 Cb 0.66 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 2fkx h ARG 67 CO 0.05 0.91 -0.04 -0.92 -1.51 0.00 0.00 179.97 178.46 2fkx h TYR 68 N 0.69 -0.09 -0.25 2.20 3.20 -0.66 0.31 116.97 122.38 2fkx h TYR 68 Ca 0.13 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.04 2fkx h TYR 68 Cb 0.55 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 2fkx h TYR 68 CO 0.04 -0.06 0.05 1.25 -1.64 0.00 0.00 178.16 177.79 2fkx h LEU 69 N -0.04 0.01 -1.52 2.82 5.85 -0.80 -1.99 115.31 119.64 2fkx h LEU 69 Ca 0.04 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2fkx h LEU 69 Cb 0.10 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2fkx h LEU 69 CO -0.09 0.04 0.21 -0.61 -0.34 0.00 0.00 178.44 177.64 2fkx h GLN 70 N 0.14 0.53 0.00 1.25 4.15 -0.77 -2.37 115.11 118.03 2fkx h GLN 70 Ca 0.11 -0.05 -0.14 0.00 0.77 0.00 0.00 58.65 59.34 2fkx h GLN 70 Cb 0.12 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 2fkx h GLN 70 CO -0.15 0.40 -0.69 0.00 -1.93 0.00 0.00 178.83 176.45 2fkx h ARG 71 N 0.54 0.00 -0.01 1.69 2.47 -0.52 -2.14 114.38 116.41 2fkx h ARG 71 Ca 0.14 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.86 2fkx h ARG 71 Cb 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 2fkx h ARG 71 CO -0.02 0.65 -0.00 0.39 0.56 0.00 0.00 179.97 181.54 2fkx n GLU 72 N -3.25 1.55 0.00 0.04 -0.58 -0.79 -4.70 120.64 112.91 2fkx n GLU 72 Ca 0.01 -0.82 0.00 0.00 -0.42 0.00 0.00 57.16 55.93 2fkx n GLU 72 Cb 0.80 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 30.19 2fkx n GLU 72 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2fkx n ASP 73 N -0.01 0.00 0.26 1.62 -0.08 -0.99 -5.05 116.55 112.30 2fkx n ASP 73 Ca 0.20 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 53.62 2fkx n ASP 73 Cb 0.32 0.00 0.63 0.00 2.34 0.00 0.00 41.12 44.42 2fkx n ASP 73 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2fkx h PRO 74 N 0.00 0.00 0.08 -0.67 0.13 -1.62 -2.67 132.00 127.25 2fkx h PRO 74 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.83 2fkx h PRO 74 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2fkx h PRO 74 CO 0.00 0.08 -1.61 1.49 -0.23 0.00 0.00 178.00 177.73 2fkx h GLU 75 N 0.00 0.17 -0.59 0.86 4.57 -1.93 -3.26 114.58 114.40 2fkx h GLU 75 Ca -0.00 -0.29 -0.01 0.00 -1.18 0.00 0.00 59.36 57.88 2fkx h GLU 75 Cb 0.56 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.23 2fkx h GLU 75 CO 0.01 0.97 0.34 -0.09 -1.18 0.00 0.00 179.01 179.06 2fkx h ARG 76 N 0.05 0.80 0.01 1.92 2.43 -1.86 -1.86 114.38 115.87 2fkx h ARG 76 Ca -0.26 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 58.86 2fkx h ARG 76 Cb 2.00 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 31.33 2fkx h ARG 76 CO 0.13 0.58 -0.34 -0.92 -1.51 0.00 0.00 179.97 177.90 2fkx h TYR 77 N 0.82 -0.96 -0.26 2.20 3.20 -1.52 -1.07 116.97 119.38 2fkx h TYR 77 Ca 0.21 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.15 2fkx h TYR 77 Cb -0.01 0.42 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 2fkx h TYR 77 CO 0.00 -0.44 0.06 0.00 -1.64 0.00 0.00 178.16 176.15 2fkx h ARG 78 N -0.51 0.16 0.00 1.82 3.08 -1.51 -1.16 114.38 116.26 2fkx h ARG 78 Ca 0.06 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.93 2fkx h ARG 78 Cb 0.59 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 2fkx h ARG 78 CO -0.27 0.10 -0.80 0.00 -1.07 0.00 0.00 179.97 177.94 2fkx h ALA 79 N 1.18 0.68 0.00 0.04 0.00 -1.18 -2.10 119.26 117.88 2fkx h ALA 79 Ca 0.12 -0.73 -0.04 0.00 0.00 0.00 0.00 54.91 54.26 2fkx h ALA 79 Cb 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2fkx h ALA 79 CO -0.15 1.00 -0.22 1.25 0.00 0.00 0.00 179.25 181.13 2fkx h LEU 80 N 0.00 0.00 0.00 0.00 5.85 -1.01 0.92 115.31 121.07 2fkx h LEU 80 Ca -0.01 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.52 2fkx h LEU 80 Cb 1.42 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.42 2fkx h LEU 80 CO 0.10 0.20 -0.93 0.16 -0.34 0.00 0.00 178.44 177.63 2fkx h ILE 81 N 0.00 1.57 0.08 4.05 -0.00 -1.05 -1.34 117.51 120.83 2fkx h ILE 81 Ca -0.00 -3.23 -0.26 0.00 -0.00 0.00 0.00 64.86 61.37 2fkx h ILE 81 Cb 1.15 2.78 0.02 0.00 -0.00 0.00 0.00 36.82 40.77 2fkx h ILE 81 CO 0.03 0.90 -1.07 -0.33 -0.00 0.00 0.00 178.15 177.67 2fkx h GLU 82 N 0.00 0.58 -0.18 0.16 4.39 -1.34 0.72 114.58 118.92 2fkx h GLU 82 Ca -0.01 -0.73 0.00 0.00 0.34 0.00 0.00 59.36 58.95 2fkx h GLU 82 Cb 1.71 0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 30.59 2fkx h GLU 82 CO 0.12 1.32 0.12 -0.22 -1.16 0.00 0.00 179.01 179.18 2fkx h LYS 83 N 0.19 0.23 -0.00 2.33 3.64 -0.76 -2.73 116.57 119.47 2fkx h LYS 83 Ca -0.16 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.03 2fkx h LYS 83 Cb 1.75 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.50 2fkx h LYS 83 CO 0.21 0.16 -0.81 -0.07 -2.27 0.00 0.00 179.45 176.66 2fkx h LEU 84 N 0.23 0.10 -2.43 5.20 3.38 -1.35 -3.48 115.31 116.96 2fkx h LEU 84 Ca 0.06 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2fkx h LEU 84 Cb -0.02 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2fkx h LEU 84 CO -0.01 0.87 0.00 0.61 0.09 0.00 0.00 178.44 179.99 2fkx n GLY 85 N 0.77 0.82 0.10 0.83 0.00 -0.40 -5.00 105.19 102.32 2fkx n GLY 85 Ca -0.02 -0.37 -0.15 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 1.03 0.00 -0.61 2.04 -1.21 -3.31 117.51 115.45 2fkx h ILE 86 Ca 0.00 -2.74 0.00 0.00 1.00 0.00 0.00 64.86 63.12 2fkx h ILE 86 Cb 0.87 2.64 0.00 0.00 -0.74 0.00 0.00 36.82 39.59 2fkx h ILE 86 CO 0.00 0.76 -1.08 0.54 0.00 0.00 0.00 178.15 178.36 2fkx n ARG 87 N -3.34 0.23 -0.73 2.37 1.74 -1.26 -5.12 116.66 110.54 2fkx n ARG 87 Ca -0.18 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.88 2fkx n ARG 87 Cb 1.04 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.93 2fkx n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52