#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 4.21 0.97 4.25 -4.36 -1.26 -5.02 121.20 119.99 2fkx s ILE 2 Ca 0.00 1.62 -0.16 0.00 -0.26 0.00 0.00 60.65 61.85 2fkx s ILE 2 Cb 0.00 -4.04 0.20 0.00 1.25 0.00 0.00 42.46 39.87 2fkx s ILE 2 CO 0.00 0.15 1.30 0.42 0.24 0.00 0.00 174.94 177.05 2fkx s THR 3 N 0.88 1.97 0.18 8.37 -4.23 -1.26 -4.73 115.64 116.81 2fkx s THR 3 Ca 0.56 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.94 2fkx s THR 3 Cb -0.27 -2.96 0.07 0.00 1.34 0.00 0.00 72.50 70.67 2fkx s THR 3 CO 0.30 0.00 1.80 0.50 -0.54 0.00 0.00 174.62 176.67 2fkx h LYS 4 N -1.68 0.52 0.00 3.99 3.64 -1.99 0.15 116.57 121.19 2fkx h LYS 4 Ca -0.45 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2fkx h LYS 4 Cb 1.24 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2fkx h LYS 4 CO 0.39 0.34 0.00 1.49 -2.27 0.00 0.00 179.45 179.41 2fkx h GLU 5 N 0.53 0.00 -0.00 1.90 4.81 -1.98 -2.17 114.58 117.67 2fkx h GLU 5 Ca 0.21 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.20 2fkx h GLU 5 Cb 0.09 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.48 2fkx h GLU 5 CO -0.13 0.00 -0.99 0.93 -0.73 0.00 0.00 179.01 178.09 2fkx h GLU 6 N 0.00 0.57 0.03 1.92 3.07 -1.45 0.19 114.58 118.90 2fkx h GLU 6 Ca 0.00 -0.61 -0.21 0.00 -0.50 0.00 0.00 59.36 58.03 2fkx h GLU 6 Cb 0.87 0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.94 2fkx h GLU 6 CO 0.00 1.23 -0.98 1.57 -1.40 0.00 0.00 179.01 179.42 2fkx h LYS 7 N 0.33 0.14 -0.82 2.33 2.10 -0.78 -2.58 116.57 117.28 2fkx h LYS 7 Ca -0.10 -0.19 -0.04 0.00 -2.00 0.00 0.00 60.65 58.32 2fkx h LYS 7 Cb 1.64 0.06 -0.04 0.00 -0.90 0.00 0.00 32.23 32.99 2fkx h LYS 7 CO 0.18 1.01 0.36 0.37 -2.00 0.00 0.00 179.45 179.37 2fkx h GLN 8 N 0.06 1.21 -0.61 0.07 5.75 -1.22 -1.88 115.11 118.48 2fkx h GLN 8 Ca -0.05 -0.20 -0.01 0.00 -0.15 0.00 0.00 58.65 58.23 2fkx h GLN 8 Cb 1.67 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 29.99 2fkx h GLN 8 CO 0.14 0.96 0.33 -0.22 -2.65 0.00 0.00 178.83 177.39 2fkx h LYS 9 N 1.19 0.86 -0.70 1.69 3.64 -0.58 0.31 116.57 122.97 2fkx h LYS 9 Ca 0.28 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 2fkx h LYS 9 Cb 0.18 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 2fkx h LYS 9 CO -0.03 0.67 0.31 0.28 -2.27 0.00 0.00 179.45 178.41 2fkx h VAL 10 N 0.84 1.23 0.00 2.00 2.07 -1.02 0.23 116.25 121.60 2fkx h VAL 10 Ca 0.21 -0.69 -0.13 0.00 0.82 0.00 0.00 66.70 66.92 2fkx h VAL 10 Cb 0.06 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 2fkx h VAL 10 CO -0.03 0.28 -0.61 0.40 0.02 0.00 0.00 177.57 177.63 2fkx h ILE 11 N 1.00 1.39 0.16 4.57 5.03 -0.84 -1.64 117.51 127.17 2fkx h ILE 11 Ca 0.24 -2.11 -0.29 0.00 -0.12 0.00 0.00 64.86 62.58 2fkx h ILE 11 Cb 0.15 2.15 0.01 0.00 -3.03 0.00 0.00 36.82 36.10 2fkx h ILE 11 CO -0.03 0.60 -1.38 1.56 -0.68 0.00 0.00 178.15 178.22 2fkx h GLN 12 N 0.00 0.35 0.00 2.37 1.08 -0.44 -3.30 115.11 115.17 2fkx h GLN 12 Ca -0.01 -0.59 -0.05 0.00 -1.45 0.00 0.00 58.65 56.55 2fkx h GLN 12 Cb 1.11 0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 28.75 2fkx h GLN 12 CO 0.08 1.28 -0.38 1.49 -0.95 0.00 0.00 178.83 180.35 2fkx h GLU 13 N -0.14 0.00 0.53 1.46 4.81 -0.59 -3.41 114.58 117.24 2fkx h GLU 13 Ca -0.27 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.93 2fkx h GLU 13 Cb 1.89 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.28 2fkx h GLU 13 CO 0.15 0.53 -0.25 0.74 -0.73 0.00 0.00 179.01 179.45 2fkx h PHE 14 N -1.00 -0.66 -2.01 0.92 0.04 -1.48 -3.39 116.94 109.36 2fkx h PHE 14 Ca -0.08 -0.02 -0.51 0.00 2.80 0.00 0.00 57.97 60.16 2fkx h PHE 14 Cb 0.70 0.22 -0.02 0.00 2.20 0.00 0.00 35.95 39.05 2fkx h PHE 14 CO 0.07 -0.41 1.44 0.00 -0.60 0.00 0.00 178.31 178.81 2fkx s ALA 15 N -4.39 2.20 -2.45 2.45 0.00 -1.19 -4.76 121.76 113.63 2fkx s ALA 15 Ca -0.10 -0.10 0.23 0.00 0.00 0.00 0.00 51.96 51.99 2fkx s ALA 15 Cb 0.01 -4.23 0.47 0.00 0.00 0.00 0.00 23.12 19.36 2fkx s ALA 15 CO 0.31 -3.70 1.42 2.89 0.00 0.00 0.00 175.76 176.68 2fkx n ARG 16 N 8.93 2.44 -3.80 0.00 1.85 -1.26 -4.45 116.66 120.36 2fkx n ARG 16 Ca 0.27 -2.17 -0.12 0.00 -1.00 0.00 0.00 57.85 54.83 2fkx n ARG 16 Cb 0.51 -1.50 -0.08 0.00 -1.05 0.00 0.00 32.46 30.33 2fkx n ARG 16 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2fkx s PHE 17 N -1.51 -0.07 0.54 2.89 0.08 -1.26 -5.03 117.98 113.63 2fkx s PHE 17 Ca 0.38 -0.01 0.23 0.00 0.12 0.00 0.00 56.93 57.66 2fkx s PHE 17 Cb 0.22 0.04 1.54 0.00 -0.57 0.00 0.00 43.02 44.25 2fkx s PHE 17 CO 0.31 -0.41 2.19 -1.35 -0.10 0.00 0.00 175.22 175.86 2fkx h PRO 18 N 3.69 0.00 0.00 0.24 0.11 -1.97 -0.89 132.00 133.18 2fkx h PRO 18 Ca -0.31 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.74 2fkx h PRO 18 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2fkx h PRO 18 CO 0.43 0.02 -0.43 0.78 -0.21 0.00 0.00 178.00 178.60 2fkx h GLY 19 N 0.10 0.00 -0.66 -0.55 0.00 -1.98 -3.30 103.07 96.69 2fkx h GLY 19 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2fkx h GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 2fkx n ASP 20 N -3.10 0.93 0.13 0.19 8.00 -0.34 -2.84 116.55 119.52 2fkx n ASP 20 Ca 0.02 -2.02 0.08 0.00 0.71 0.00 0.00 54.79 53.58 2fkx n ASP 20 Cb 0.65 -0.14 0.04 0.00 -0.02 0.00 0.00 41.12 41.65 2fkx n ASP 20 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2fkx h THR 21 N 0.90 0.21 -0.09 -3.53 1.03 -1.63 -3.22 112.91 106.58 2fkx h THR 21 Ca 0.00 -1.35 0.00 0.00 -0.01 0.00 0.00 66.41 65.05 2fkx h THR 21 Cb 0.26 1.88 0.00 0.00 -1.07 0.00 0.00 68.15 69.22 2fkx h THR 21 CO 0.01 0.12 0.00 0.61 -0.01 0.00 0.00 175.52 176.25 2fkx n GLY 22 N 1.20 4.53 1.98 2.99 0.00 -1.13 -4.75 105.19 110.00 2fkx n GLY 22 Ca 0.00 -1.07 -0.14 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.08 2.03 -0.36 1.61 7.64 -1.21 -4.93 113.62 117.31 2fkx n SER 23 Ca 0.17 -2.02 -0.06 0.00 1.01 0.00 0.00 58.87 57.98 2fkx n SER 23 Cb 0.71 0.01 -0.02 0.00 -1.01 0.00 0.00 64.21 63.90 2fkx n SER 23 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2fkx h THR 24 N 0.67 0.02 -0.21 0.44 2.02 -1.93 -2.17 112.91 111.74 2fkx h THR 24 Ca -0.19 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.05 2fkx h THR 24 Cb 0.67 0.02 -0.07 0.00 -1.74 0.00 0.00 68.15 67.02 2fkx h THR 24 CO 0.30 0.00 -0.31 -0.33 0.37 0.00 0.00 175.52 175.55 2fkx h GLU 25 N -0.05 -0.33 -0.31 6.66 5.08 -1.92 0.28 114.58 124.00 2fkx h GLU 25 Ca 0.26 0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.46 2fkx h GLU 25 Cb 0.53 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2fkx h GLU 25 CO -0.91 -0.22 -0.50 0.28 -1.00 0.00 0.00 179.01 176.66 2fkx h VAL 26 N -0.34 1.28 0.00 3.13 2.07 -1.66 -2.13 116.25 118.60 2fkx h VAL 26 Ca 0.12 -1.68 -0.10 0.00 0.82 0.00 0.00 66.70 65.86 2fkx h VAL 26 Cb 0.53 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 2fkx h VAL 26 CO -0.40 0.55 -0.48 0.06 0.02 0.00 0.00 177.57 177.32 2fkx h GLN 27 N 0.67 0.00 0.01 1.57 3.07 -1.01 -1.11 115.11 118.30 2fkx h GLN 27 Ca 0.03 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.57 2fkx h GLN 27 Cb 1.09 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.63 2fkx h GLN 27 CO 0.11 0.48 -0.92 0.28 0.09 0.00 0.00 178.83 178.87 2fkx h VAL 28 N 0.00 1.62 -0.63 1.86 2.07 -0.47 0.31 116.25 121.01 2fkx h VAL 28 Ca -0.00 -3.02 -0.03 0.00 0.82 0.00 0.00 66.70 64.46 2fkx h VAL 28 Cb 1.19 2.66 -0.03 0.00 -1.52 0.00 0.00 31.29 33.59 2fkx h VAL 28 CO 0.06 0.87 0.26 0.00 0.02 0.00 0.00 177.57 178.78 2fkx h ALA 29 N 1.05 0.82 0.00 1.67 0.00 -0.99 0.17 119.26 121.98 2fkx h ALA 29 Ca -0.02 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 2fkx h ALA 29 Cb 1.61 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 2fkx h ALA 29 CO 0.13 0.43 -0.64 1.37 0.00 0.00 0.00 179.25 180.53 2fkx h LEU 30 N 0.88 0.00 -0.43 0.00 8.10 -1.14 -1.15 115.31 121.58 2fkx h LEU 30 Ca 0.21 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 58.04 2fkx h LEU 30 Cb 0.19 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.41 2fkx h LEU 30 CO -0.02 0.64 -0.41 0.17 -4.11 0.00 0.00 178.44 174.71 2fkx h LEU 31 N 0.00 0.93 -0.61 0.17 8.10 -0.40 -1.20 115.31 122.31 2fkx h LEU 31 Ca -0.01 -0.44 -0.15 0.00 0.11 0.00 0.00 57.88 57.40 2fkx h LEU 31 Cb 1.34 -0.26 -0.01 0.00 -0.44 0.00 0.00 40.66 41.29 2fkx h LEU 31 CO 0.08 1.22 -0.58 0.74 -4.11 0.00 0.00 178.44 175.79 2fkx h THR 32 N 0.70 1.36 -0.57 0.15 2.02 -0.64 -2.53 112.91 113.39 2fkx h THR 32 Ca 0.05 -1.90 0.00 0.00 0.77 0.00 0.00 66.41 65.33 2fkx h THR 32 Cb 1.00 1.91 -0.03 0.00 -1.74 0.00 0.00 68.15 69.29 2fkx h THR 32 CO 0.10 0.57 0.37 0.25 0.37 0.00 0.00 175.52 177.18 2fkx h LEU 33 N 0.27 0.66 0.15 2.58 6.46 -0.92 0.32 115.31 124.84 2fkx h LEU 33 Ca -0.00 -0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2fkx h LEU 33 Cb 1.10 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.83 2fkx h LEU 33 CO 0.10 0.49 -0.24 0.03 -0.62 0.00 0.00 178.44 178.19 2fkx h ARG 34 N 0.78 -0.45 0.14 1.25 3.08 -1.02 0.77 114.38 118.94 2fkx h ARG 34 Ca 0.21 0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.30 2fkx h ARG 34 Cb -0.08 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 2fkx h ARG 34 CO -0.04 -0.30 -0.20 0.82 -1.07 0.00 0.00 179.97 179.18 2fkx h ILE 35 N -0.46 0.56 -0.09 2.04 2.04 -1.10 -1.58 117.51 118.92 2fkx h ILE 35 Ca 0.02 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.89 2fkx h ILE 35 Cb 0.47 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 2fkx h ILE 35 CO -0.11 0.00 0.04 -1.13 0.00 0.00 0.00 178.15 176.94 2fkx h ASN 36 N -0.40 0.05 -0.37 1.72 -1.24 -0.22 0.91 115.58 116.04 2fkx h ASN 36 Ca 0.02 0.01 -0.17 0.00 0.71 0.00 0.00 56.30 56.87 2fkx h ASN 36 Cb 0.40 -0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.44 2fkx h ASN 36 CO -0.08 0.04 -0.42 -0.09 -1.29 0.00 0.00 177.43 175.59 2fkx h ARG 37 N 0.09 0.93 -0.30 6.67 2.43 -0.81 0.02 114.38 123.40 2fkx h ARG 37 Ca 0.04 -0.51 -0.18 0.00 -0.81 0.00 0.00 59.98 58.51 2fkx h ARG 37 Cb 0.01 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2fkx h ARG 37 CO -0.03 1.17 -0.53 -0.07 -1.51 0.00 0.00 179.97 179.00 2fkx h LEU 38 N 0.75 0.97 -0.87 3.80 3.38 -1.18 -0.43 115.31 121.73 2fkx h LEU 38 Ca 0.05 -0.51 -0.08 0.00 0.09 0.00 0.00 57.88 57.43 2fkx h LEU 38 Cb 1.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 2fkx h LEU 38 CO 0.10 1.31 -0.00 0.28 0.09 0.00 0.00 178.44 180.22 2fkx h SER 39 N 0.68 0.80 -0.47 -0.43 0.02 -0.74 0.12 113.55 113.54 2fkx h SER 39 Ca 0.02 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 60.73 2fkx h SER 39 Cb 1.13 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 2fkx h SER 39 CO 0.12 0.87 0.16 -0.08 -1.14 0.00 0.00 176.83 176.76 2fkx h GLU 40 N 0.78 0.79 0.19 3.45 4.57 -0.71 -0.98 114.58 122.66 2fkx h GLU 40 Ca 0.15 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 2fkx h GLU 40 Cb 0.47 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 2fkx h GLU 40 CO 0.02 0.69 -0.09 0.45 -1.18 0.00 0.00 179.01 178.90 2fkx h HIS 41 N 0.77 -0.23 0.00 0.92 3.86 -0.51 -3.11 115.15 116.85 2fkx h HIS 41 Ca 0.18 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 2fkx h HIS 41 Cb 0.24 0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.79 2fkx h HIS 41 CO 0.01 0.14 0.00 1.28 0.86 0.00 0.00 177.93 180.22 2fkx n LEU 42 N -5.02 0.46 0.26 2.43 4.32 -0.02 0.11 117.00 119.54 2fkx n LEU 42 Ca -0.09 0.66 0.11 0.00 -0.02 0.00 0.00 56.01 56.68 2fkx n LEU 42 Cb 0.25 -0.66 0.70 0.00 -1.62 0.00 0.00 43.42 42.10 2fkx n LEU 42 CO 0.30 -0.67 0.98 0.11 -1.22 0.00 0.00 177.39 176.90 2fkx h LYS 43 N 0.00 0.00 0.00 3.23 1.57 -1.10 -2.16 116.57 118.10 2fkx h LYS 43 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2fkx h LYS 43 Cb 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 2fkx h LYS 43 CO 0.00 0.11 -1.22 0.28 -0.57 0.00 0.00 179.45 178.06 2fkx n VAL 44 N -3.85 0.60 0.01 0.50 0.31 -0.64 -4.82 118.33 110.45 2fkx n VAL 44 Ca -0.02 -0.02 -0.11 0.00 -0.01 0.00 0.00 64.34 64.17 2fkx n VAL 44 Cb 0.21 -1.65 -0.06 0.00 -0.91 0.00 0.00 33.84 31.44 2fkx n VAL 44 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 2fkx h HIS 45 N -0.28 0.09 -4.91 3.52 3.86 -0.43 -3.49 115.15 113.50 2fkx h HIS 45 Ca -0.16 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.06 2fkx h HIS 45 Cb 1.00 -0.03 -0.09 0.00 1.06 0.00 0.00 27.41 29.36 2fkx h HIS 45 CO -0.04 0.08 -1.34 1.63 0.86 0.00 0.00 177.93 179.11 2fkx n LYS 46 N -5.03 -4.03 -2.19 2.45 5.02 -0.81 -4.50 118.16 109.06 2fkx n LYS 46 Ca -0.06 3.11 -0.14 0.00 -2.02 0.00 0.00 58.31 59.20 2fkx n LYS 46 Cb 0.04 -4.95 -0.01 0.00 -0.02 0.00 0.00 35.03 30.09 2fkx n LYS 46 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2fkx n LYS 47 N 1.31 -1.13 0.03 1.97 4.76 -1.26 -4.91 118.16 118.92 2fkx n LYS 47 Ca -0.28 0.72 -0.19 0.00 -2.87 0.00 0.00 58.31 55.70 2fkx n LYS 47 Cb 0.43 -5.00 -0.12 0.00 -1.84 0.00 0.00 35.03 28.49 2fkx n LYS 47 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 2fkx h ASP 48 N 0.00 0.53 -4.16 4.39 2.03 -1.96 -3.38 116.42 113.87 2fkx h ASP 48 Ca -0.34 -0.83 -0.63 0.00 -0.73 0.00 0.00 57.03 54.50 2fkx h ASP 48 Cb 1.22 -0.17 -0.41 0.00 -0.83 0.00 0.00 39.33 39.15 2fkx h ASP 48 CO 0.40 1.31 -0.66 -1.00 -1.03 0.00 0.00 179.24 178.27 2fkx s HIS 49 N -2.91 2.90 -0.34 4.15 3.76 -1.26 -4.91 115.29 116.67 2fkx s HIS 49 Ca -0.13 -2.99 0.09 0.00 -0.15 0.00 0.00 55.06 51.88 2fkx s HIS 49 Cb 0.03 -2.60 0.71 0.00 1.11 0.00 0.00 32.58 31.83 2fkx s HIS 49 CO 0.83 -0.75 1.74 -2.39 -0.85 0.00 0.00 174.74 173.32 2fkx n HIS 50 N 3.22 2.31 -2.17 1.40 1.44 -1.26 -4.93 115.22 115.23 2fkx n HIS 50 Ca 0.06 -1.09 -0.38 0.00 -2.01 0.00 0.00 57.72 54.29 2fkx n HIS 50 Cb 0.33 -0.65 -0.00 0.00 0.12 0.00 0.00 29.99 29.78 2fkx n HIS 50 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 2fkx s SER 51 N -0.88 6.17 0.00 4.39 0.01 -1.26 -4.89 113.70 117.23 2fkx s SER 51 Ca 0.52 2.44 0.00 0.00 1.31 0.00 0.00 55.95 60.21 2fkx s SER 51 Cb 0.41 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 64.03 2fkx s SER 51 CO 0.13 -0.93 0.76 0.00 0.41 0.00 0.00 173.24 173.61 2fkx n HIS 52 N -0.31 0.00 0.15 2.43 1.44 -1.26 -3.88 115.22 113.79 2fkx n HIS 52 Ca 0.06 -0.30 0.02 0.00 -2.01 0.00 0.00 57.72 55.49 2fkx n HIS 52 Cb 0.46 -0.19 0.18 0.00 0.12 0.00 0.00 29.99 30.56 2fkx n HIS 52 CO 0.00 0.00 0.00 -0.09 -2.81 0.00 0.00 176.34 173.44 2fkx h ARG 53 N 0.14 0.00 0.00 -1.40 2.43 -1.94 -3.40 114.38 110.21 2fkx h ARG 53 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2fkx h ARG 53 Cb 0.76 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 2fkx h ARG 53 CO 0.00 0.52 -0.01 0.41 -1.51 0.00 0.00 179.97 179.38 2fkx n GLY 54 N 0.63 0.83 0.00 2.80 0.00 -1.25 -4.63 105.19 103.57 2fkx n GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 -0.38 0.99 -0.00 -1.26 -4.08 117.00 112.27 2fkx n LEU 55 Ca -0.01 0.00 0.31 0.00 -0.00 0.00 0.00 56.01 56.30 2fkx n LEU 55 Cb 0.44 0.00 0.61 0.00 -0.00 0.00 0.00 43.42 44.47 2fkx n LEU 55 CO -0.01 -0.29 1.25 -0.07 -0.00 0.00 0.00 177.39 178.27 2fkx h LEU 56 N 0.00 0.29 0.05 1.47 3.38 -1.96 -0.93 115.31 117.61 2fkx h LEU 56 Ca 0.00 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.08 2fkx h LEU 56 Cb 0.00 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2fkx h LEU 56 CO 0.00 -0.03 -0.26 -0.03 0.09 0.00 0.00 178.44 178.21 2fkx h MET 57 N 0.21 -0.41 0.00 1.13 4.05 -1.92 -0.23 114.93 117.75 2fkx h MET 57 Ca 0.68 0.03 -0.15 0.00 -0.28 0.00 0.00 59.70 59.98 2fkx h MET 57 Cb 2.09 0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 32.96 2fkx h MET 57 CO -0.28 -0.28 -0.70 1.98 0.23 0.00 0.00 176.91 177.86 2fkx h MET 58 N -0.43 0.00 -0.09 0.39 1.85 -1.42 -2.57 114.93 112.66 2fkx h MET 58 Ca 0.05 0.00 -0.08 0.00 -0.61 0.00 0.00 59.70 59.06 2fkx h MET 58 Cb 0.49 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.51 2fkx h MET 58 CO -0.20 0.70 -0.29 -0.24 -0.40 0.00 0.00 176.91 176.48 2fkx h VAL 59 N 0.00 1.25 -0.38 -5.77 3.04 -1.28 0.14 116.25 113.25 2fkx h VAL 59 Ca -0.01 -1.17 -0.02 0.00 -1.01 0.00 0.00 66.70 64.49 2fkx h VAL 59 Cb 1.36 1.51 -0.02 0.00 -2.01 0.00 0.00 31.29 32.13 2fkx h VAL 59 CO 0.09 0.35 0.14 1.23 -1.01 0.00 0.00 177.57 178.37 2fkx h GLY 60 N 1.01 0.62 1.80 3.17 0.00 -0.66 0.23 103.07 109.22 2fkx h GLY 60 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2fkx h GLY 60 CO 0.04 0.32 0.00 -1.06 0.00 0.00 0.00 176.54 175.85 2fkx n GLN 61 N -4.65 0.19 0.04 4.80 6.02 -0.85 -2.03 117.38 120.89 2fkx n GLN 61 Ca -0.01 0.04 -0.10 0.00 -0.01 0.00 0.00 57.00 56.92 2fkx n GLN 61 Cb 0.15 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 29.78 2fkx n GLN 61 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2fkx h ARG 62 N 0.00 0.08 -0.34 -1.09 1.12 -0.01 -1.14 114.38 113.00 2fkx h ARG 62 Ca 0.00 -0.14 -0.16 0.00 -1.11 0.00 0.00 59.98 58.57 2fkx h ARG 62 Cb 0.36 0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.37 2fkx h ARG 62 CO 0.00 0.92 -0.42 0.00 -3.11 0.00 0.00 179.97 177.37 2fkx h ARG 63 N 0.02 0.84 -0.21 0.20 3.08 -0.37 -2.82 114.38 115.13 2fkx h ARG 63 Ca -0.14 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 59.45 2fkx h ARG 63 Cb 1.90 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.98 2fkx h ARG 63 CO 0.13 1.09 0.00 0.54 -1.07 0.00 0.00 179.97 180.67 2fkx n ARG 64 N -4.04 1.85 0.28 0.04 1.74 -0.88 -4.27 116.66 111.38 2fkx n ARG 64 Ca -0.02 -1.28 0.12 0.00 -0.77 0.00 0.00 57.85 55.90 2fkx n ARG 64 Cb 0.55 -1.41 0.80 0.00 -1.02 0.00 0.00 32.46 31.38 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 2.55 0.00 -1.85 0.55 5.85 -0.93 -1.32 115.31 120.16 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 0.56 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 2fkx h LEU 65 CO 0.00 0.03 -0.13 0.17 -0.34 0.00 0.00 178.44 178.17 2fkx h LEU 66 N 0.00 0.00 -1.51 2.25 -0.00 -1.78 -2.18 115.31 112.09 2fkx h LEU 66 Ca -0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.83 2fkx h LEU 66 Cb 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.72 2fkx h LEU 66 CO 0.00 0.13 -0.23 0.03 -0.00 0.00 0.00 178.44 178.36 2fkx h ARG 67 N 0.00 0.00 0.00 0.17 3.08 -1.57 -0.79 114.38 115.27 2fkx h ARG 67 Ca -0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 2fkx h ARG 67 Cb 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 2fkx h ARG 67 CO 0.02 0.23 -1.01 0.66 -1.07 0.00 0.00 179.97 178.80 2fkx n TYR 68 N -3.78 0.93 -0.11 3.04 4.01 -0.93 -4.63 117.16 115.70 2fkx n TYR 68 Ca -0.01 0.40 -0.11 0.00 -0.16 0.00 0.00 57.90 58.02 2fkx n TYR 68 Cb 0.34 -0.96 -0.03 0.00 -0.31 0.00 0.00 39.34 38.38 2fkx n TYR 68 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2fkx h LEU 69 N -1.00 0.57 -1.28 7.72 3.38 -1.38 -3.19 115.31 120.14 2fkx h LEU 69 Ca -0.22 -0.34 0.17 0.00 0.09 0.00 0.00 57.88 57.58 2fkx h LEU 69 Cb 1.00 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.51 2fkx h LEU 69 CO -0.13 0.78 0.59 -0.61 0.09 0.00 0.00 178.44 179.16 2fkx h GLN 70 N 0.36 0.62 -0.29 1.13 4.15 -1.31 0.93 115.11 120.70 2fkx h GLN 70 Ca 0.08 -0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.51 2fkx h GLN 70 Cb 0.52 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 28.02 2fkx h GLN 70 CO 0.02 0.41 0.00 -0.09 -1.93 0.00 0.00 178.83 177.25 2fkx h ARG 71 N 0.64 0.09 -0.26 1.69 2.43 -1.76 -2.45 114.38 114.77 2fkx h ARG 71 Ca 0.48 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.65 2fkx h ARG 71 Cb 0.87 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 2fkx h ARG 71 CO -0.24 0.06 0.00 0.39 -1.51 0.00 0.00 179.97 178.67 2fkx n GLU 72 N -5.16 2.16 -3.05 0.20 1.02 -0.21 -4.61 120.64 111.00 2fkx n GLU 72 Ca -0.00 -1.74 0.01 0.00 -0.02 0.00 0.00 57.16 55.40 2fkx n GLU 72 Cb 0.15 -1.46 -0.00 0.00 -0.02 0.00 0.00 31.44 30.11 2fkx n GLU 72 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 2fkx s ASP 73 N -1.58 -1.22 0.28 1.62 1.47 0.15 -4.99 116.67 112.40 2fkx s ASP 73 Ca 0.35 -0.72 0.09 0.00 1.18 0.00 0.00 52.55 53.45 2fkx s ASP 73 Cb 0.20 1.56 0.37 0.00 -0.34 0.00 0.00 42.92 44.72 2fkx s ASP 73 CO 0.29 -0.12 1.63 -0.65 0.68 0.00 0.00 175.17 177.00 2fkx h PRO 74 N 6.35 0.06 0.09 2.11 0.11 -1.71 0.37 132.00 139.38 2fkx h PRO 74 Ca 0.03 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 2fkx h PRO 74 Cb 1.18 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2fkx h PRO 74 CO 0.04 0.62 -0.04 1.49 -0.21 0.00 0.00 178.00 179.90 2fkx h GLU 75 N 0.04 -0.12 0.00 1.05 4.81 -1.94 -2.92 114.58 115.51 2fkx h GLU 75 Ca -0.01 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2fkx h GLU 75 Cb 1.04 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.45 2fkx h GLU 75 CO 0.08 0.31 -0.09 0.00 -0.73 0.00 0.00 179.01 178.57 2fkx h ARG 76 N -0.59 0.00 0.42 1.92 -0.00 -1.94 0.17 114.38 114.36 2fkx h ARG 76 Ca -0.01 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.46 2fkx h ARG 76 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.42 2fkx h ARG 76 CO 0.02 0.09 -0.51 -0.92 0.00 0.00 0.00 179.97 178.65 2fkx h TYR 77 N 0.00 -1.43 -0.23 3.04 3.20 -0.85 0.27 116.97 120.98 2fkx h TYR 77 Ca -0.00 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 2fkx h TYR 77 Cb 0.64 0.57 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 2fkx h TYR 77 CO 0.00 -0.66 -0.10 0.00 -1.64 0.00 0.00 178.16 175.76 2fkx h ARG 78 N -0.96 0.37 0.05 1.82 3.08 -1.29 -2.16 114.38 115.30 2fkx h ARG 78 Ca -0.05 -0.09 -0.24 0.00 0.07 0.00 0.00 59.98 59.67 2fkx h ARG 78 Cb 0.85 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.84 2fkx h ARG 78 CO -0.11 0.48 -1.16 0.00 -1.07 0.00 0.00 179.97 178.12 2fkx h ALA 79 N 1.55 0.28 0.00 0.04 0.00 -0.47 -2.35 119.26 118.31 2fkx h ALA 79 Ca 0.07 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 54.04 2fkx h ALA 79 Cb 0.40 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2fkx h ALA 79 CO 0.02 1.17 -0.10 -0.07 0.00 0.00 0.00 179.25 180.27 2fkx h LEU 80 N 0.03 0.00 0.20 0.00 3.38 -0.32 -0.69 115.31 117.91 2fkx h LEU 80 Ca -0.08 -0.02 -0.29 0.00 0.09 0.00 0.00 57.88 57.57 2fkx h LEU 80 Cb 1.87 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.65 2fkx h LEU 80 CO 0.15 0.01 -1.28 -0.29 0.09 0.00 0.00 178.44 177.13 2fkx h ILE 81 N 0.00 1.34 0.00 1.22 2.10 -0.59 0.13 117.51 121.70 2fkx h ILE 81 Ca 0.00 -2.61 0.00 0.00 1.08 0.00 0.00 64.86 63.33 2fkx h ILE 81 Cb 0.83 3.01 0.00 0.00 -1.09 0.00 0.00 36.82 39.57 2fkx h ILE 81 CO 0.00 0.77 0.00 -0.08 -1.08 0.00 0.00 178.15 177.76 2fkx h GLU 82 N 0.05 0.00 0.00 2.19 4.81 -1.40 -1.95 114.58 118.28 2fkx h GLU 82 Ca -0.22 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.80 2fkx h GLU 82 Cb 2.00 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.35 2fkx h GLU 82 CO 0.24 0.00 -1.60 1.17 -0.73 0.00 0.00 179.01 178.09 2fkx n LYS 83 N -2.69 0.55 -0.07 1.92 3.00 -0.27 -4.78 118.16 115.81 2fkx n LYS 83 Ca 0.03 0.31 -0.09 0.00 -0.00 0.00 0.00 58.31 58.55 2fkx n LYS 83 Cb 0.38 -1.52 -0.15 0.00 0.00 0.00 0.00 35.03 33.73 2fkx n LYS 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2fkx n LEU 84 N -4.39 0.34 0.00 3.14 4.77 0.43 -5.00 117.00 116.30 2fkx n LEU 84 Ca -0.32 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 2fkx n LEU 84 Cb 0.66 0.37 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 2fkx n LEU 84 CO 0.12 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 2fkx n GLY 85 N 1.68 3.05 2.17 -0.72 0.00 -0.73 -4.65 105.19 105.99 2fkx n GLY 85 Ca -0.27 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2fkx n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2fkx n ILE 86 N 0.00 0.00 -0.62 -0.61 3.06 -1.20 -4.63 119.36 115.36 2fkx n ILE 86 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 2fkx n ILE 86 Cb 0.00 -0.09 0.00 0.00 0.54 0.00 0.00 39.64 40.09 2fkx n ILE 86 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 2fkx n ARG 87 N -3.38 0.13 0.00 9.51 5.12 -1.26 -1.51 116.66 125.28 2fkx n ARG 87 Ca 0.00 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 2fkx n ARG 87 Cb 0.00 -0.38 0.00 0.00 -1.16 0.00 0.00 32.46 30.92 2fkx n ARG 87 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11