#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 -5.07 119.36 118.96 2fkx n ILE 2 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2fkx n ILE 2 Cb 0.00 -0.25 0.00 0.00 -0.71 0.00 0.00 39.64 38.68 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 0.00 0.00 -0.10 1.39 5.66 -1.26 -4.97 114.28 115.00 2fkx n THR 3 Ca 0.00 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.82 2fkx n THR 3 Cb 0.00 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 68.69 2fkx n THR 3 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 2fkx n LYS 4 N 0.00 0.54 0.00 1.09 2.85 -1.26 -4.01 118.16 117.37 2fkx n LYS 4 Ca 0.00 0.52 0.10 0.00 -1.05 0.00 0.00 58.31 57.88 2fkx n LYS 4 Cb 0.00 -1.69 0.52 0.00 -0.65 0.00 0.00 35.03 33.21 2fkx n LYS 4 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2fkx n GLU 5 N -4.45 0.29 -0.04 -1.58 2.13 -1.26 -1.95 120.64 113.77 2fkx n GLU 5 Ca -0.28 0.09 -0.14 0.00 0.66 0.00 0.00 57.16 57.48 2fkx n GLU 5 Cb 0.60 -1.50 -0.09 0.00 0.27 0.00 0.00 31.44 30.72 2fkx n GLU 5 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2fkx h GLU 6 N 0.00 0.29 -0.46 5.31 4.39 -1.94 -1.89 114.58 120.28 2fkx h GLU 6 Ca 0.00 -0.22 -0.14 0.00 0.34 0.00 0.00 59.36 59.35 2fkx h GLU 6 Cb 0.20 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2fkx h GLU 6 CO 0.00 0.84 -0.25 0.87 -1.16 0.00 0.00 179.01 179.31 2fkx h LYS 7 N -0.20 0.96 -0.45 2.33 1.57 -1.53 -2.63 116.57 116.63 2fkx h LYS 7 Ca -0.01 -0.42 0.08 0.00 -1.87 0.00 0.00 60.65 58.42 2fkx h LYS 7 Cb 0.87 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.09 2fkx h LYS 7 CO 0.05 1.09 0.08 0.37 -0.57 0.00 0.00 179.45 180.47 2fkx h GLN 8 N 0.82 0.20 -0.56 3.15 4.15 -1.34 -1.08 115.11 120.45 2fkx h GLN 8 Ca 0.10 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.48 2fkx h GLN 8 Cb 0.82 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.44 2fkx h GLN 8 CO 0.07 0.13 0.23 0.87 -1.93 0.00 0.00 178.83 178.20 2fkx h LYS 9 N 0.21 0.81 -0.42 1.69 1.57 -1.11 0.19 116.57 119.51 2fkx h LYS 9 Ca 0.22 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 2fkx h LYS 9 Cb 0.29 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2fkx h LYS 9 CO -0.30 0.66 0.08 0.28 -0.57 0.00 0.00 179.45 179.60 2fkx h VAL 10 N 0.80 1.20 0.02 0.50 2.07 -0.89 -0.42 116.25 119.53 2fkx h VAL 10 Ca 0.19 -0.74 -0.21 0.00 0.82 0.00 0.00 66.70 66.77 2fkx h VAL 10 Cb 0.16 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2fkx h VAL 10 CO -0.02 0.27 -0.96 0.40 0.02 0.00 0.00 177.57 177.28 2fkx h ILE 11 N 0.62 1.60 0.00 4.57 5.03 -0.37 0.49 117.51 129.45 2fkx h ILE 11 Ca 0.14 -3.02 -0.04 0.00 -0.12 0.00 0.00 64.86 61.82 2fkx h ILE 11 Cb 0.28 2.68 -0.01 0.00 -3.03 0.00 0.00 36.82 36.74 2fkx h ILE 11 CO 0.00 0.87 -0.20 1.56 -0.68 0.00 0.00 178.15 179.70 2fkx h GLN 12 N 0.04 0.00 0.04 2.37 4.20 0.07 -3.09 115.11 118.73 2fkx h GLN 12 Ca -0.04 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 2fkx h GLN 12 Cb 1.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.43 2fkx h GLN 12 CO 0.14 0.20 -0.02 0.93 -0.67 0.00 0.00 178.83 179.41 2fkx h GLU 13 N 0.00 -0.05 0.00 1.46 5.08 -0.79 -3.49 114.58 116.79 2fkx h GLU 13 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2fkx h GLU 13 Cb 0.40 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2fkx h GLU 13 CO 0.03 -0.03 0.00 1.19 -1.00 0.00 0.00 179.01 179.19 2fkx n PHE 14 N -2.49 -0.29 0.00 4.33 3.72 0.05 -5.09 117.46 117.68 2fkx n PHE 14 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 2fkx n PHE 14 Cb 0.02 0.30 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 -1.91 0.00 -2.12 4.37 0.00 -0.50 -4.50 120.51 115.85 2fkx n ALA 15 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2fkx n ALA 15 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2fkx n ALA 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2fkx n ARG 16 N -1.16 0.00 -4.76 0.00 3.00 -1.26 -4.84 116.66 107.64 2fkx n ARG 16 Ca 0.00 -1.06 -0.29 0.00 -0.00 0.00 0.00 57.85 56.50 2fkx n ARG 16 Cb 0.00 0.20 -0.14 0.00 0.00 0.00 0.00 32.46 32.52 2fkx n ARG 16 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2fkx s PHE 17 N 0.00 2.17 -0.81 -0.14 0.08 -1.26 -5.04 117.98 112.99 2fkx s PHE 17 Ca 0.08 -0.40 -0.29 0.00 0.12 0.00 0.00 56.93 56.44 2fkx s PHE 17 Cb 0.09 -1.28 -0.16 0.00 -0.57 0.00 0.00 43.02 41.10 2fkx s PHE 17 CO -0.04 0.14 2.59 -2.30 -0.10 0.00 0.00 175.22 175.51 2fkx n PRO 18 N 1.67 0.39 -3.36 0.24 -0.02 -1.26 -1.21 135.00 131.45 2fkx n PRO 18 Ca -0.17 -0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.08 2fkx n PRO 18 Cb 0.52 -2.22 0.06 0.00 -0.02 0.00 0.00 33.50 31.85 2fkx n PRO 18 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fkx n GLY 19 N 6.33 -0.48 0.16 -1.23 0.00 -1.26 -4.91 105.19 103.79 2fkx n GLY 19 Ca 0.55 0.18 -0.07 0.00 0.00 0.00 0.00 46.02 46.69 2fkx n GLY 19 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2fkx h ASP 20 N -2.18 0.28 0.00 1.61 3.58 -1.58 -3.11 116.42 115.02 2fkx h ASP 20 Ca -0.54 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 56.73 2fkx h ASP 20 Cb 1.35 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.32 2fkx h ASP 20 CO 0.54 0.89 0.00 1.07 -2.88 0.00 0.00 179.24 178.86 2fkx n THR 21 N -3.80 0.89 0.00 2.25 5.66 -1.26 -4.93 114.28 113.09 2fkx n THR 21 Ca -0.03 -0.93 0.00 0.00 -3.05 0.00 0.00 64.05 60.04 2fkx n THR 21 Cb 0.68 0.56 0.00 0.00 -1.55 0.00 0.00 70.33 70.02 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 -0.45 2.30 2.81 1.09 0.00 -1.18 -4.76 105.19 105.02 2fkx n GLY 22 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2fkx n GLY 22 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2fkx n SER 23 N 0.13 -2.03 -0.02 1.61 2.88 -1.26 -4.37 113.62 110.55 2fkx n SER 23 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 2fkx n SER 23 Cb 0.00 -1.14 -0.09 0.00 -0.75 0.00 0.00 64.21 62.23 2fkx n SER 23 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2fkx h THR 24 N 0.00 1.39 -0.21 2.46 2.02 -1.99 0.21 112.91 116.79 2fkx h THR 24 Ca 0.00 -1.85 -0.02 0.00 0.77 0.00 0.00 66.41 65.31 2fkx h THR 24 Cb 0.16 2.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 2fkx h THR 24 CO 0.00 0.55 0.06 -0.33 0.37 0.00 0.00 175.52 176.17 2fkx h GLU 25 N 0.03 0.33 -0.69 6.66 3.07 -1.90 -2.09 114.58 119.98 2fkx h GLU 25 Ca -0.04 -0.08 0.04 0.00 -0.50 0.00 0.00 59.36 58.78 2fkx h GLU 25 Cb 1.14 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.96 2fkx h GLU 25 CO 0.10 0.44 0.42 0.28 -1.40 0.00 0.00 179.01 178.85 2fkx h VAL 26 N 0.16 1.06 0.00 3.13 2.07 -1.89 0.20 116.25 120.98 2fkx h VAL 26 Ca 0.07 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 67.20 2fkx h VAL 26 Cb 0.25 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 2fkx h VAL 26 CO -0.00 0.15 -0.50 0.06 0.02 0.00 0.00 177.57 177.30 2fkx h GLN 27 N 0.81 0.00 0.01 1.57 3.07 -0.44 -0.91 115.11 119.22 2fkx h GLN 27 Ca 0.29 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.84 2fkx h GLN 27 Cb 0.06 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.60 2fkx h GLN 27 CO -0.13 0.50 -0.88 0.28 0.09 0.00 0.00 178.83 178.69 2fkx h VAL 28 N 0.00 1.56 -0.28 1.86 2.07 -0.97 0.95 116.25 121.44 2fkx h VAL 28 Ca -0.00 -2.80 -0.02 0.00 0.82 0.00 0.00 66.70 64.69 2fkx h VAL 28 Cb 1.24 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 33.54 2fkx h VAL 28 CO 0.06 0.81 0.10 0.00 0.02 0.00 0.00 177.57 178.57 2fkx h ALA 29 N 1.05 0.36 0.00 1.67 0.00 -0.29 0.17 119.26 122.23 2fkx h ALA 29 Ca -0.03 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 2fkx h ALA 29 Cb 1.53 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 2fkx h ALA 29 CO 0.12 -0.03 -0.65 1.37 0.00 0.00 0.00 179.25 180.07 2fkx h LEU 30 N 0.30 0.00 -0.33 0.00 8.10 -1.15 -0.70 115.31 121.53 2fkx h LEU 30 Ca 0.09 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 57.98 2fkx h LEU 30 Cb 0.20 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.41 2fkx h LEU 30 CO -0.01 0.65 -0.19 0.17 -4.11 0.00 0.00 178.44 174.95 2fkx h LEU 31 N 0.00 0.74 -0.68 0.17 8.10 -0.46 -1.80 115.31 121.37 2fkx h LEU 31 Ca -0.01 -0.42 -0.14 0.00 0.11 0.00 0.00 57.88 57.42 2fkx h LEU 31 Cb 1.25 -0.21 -0.02 0.00 -0.44 0.00 0.00 40.66 41.24 2fkx h LEU 31 CO 0.08 1.00 -0.66 0.74 -4.11 0.00 0.00 178.44 175.50 2fkx h THR 32 N 0.48 1.47 -0.37 0.15 2.02 -0.61 -2.49 112.91 113.57 2fkx h THR 32 Ca 0.07 -2.26 -0.05 0.00 0.77 0.00 0.00 66.41 64.94 2fkx h THR 32 Cb 0.74 2.22 -0.02 0.00 -1.74 0.00 0.00 68.15 69.35 2fkx h THR 32 CO 0.06 0.65 0.00 0.25 0.37 0.00 0.00 175.52 176.84 2fkx h LEU 33 N 0.00 0.55 -0.10 2.58 5.85 -0.89 0.49 115.31 123.78 2fkx h LEU 33 Ca -0.01 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 2fkx h LEU 33 Cb 1.17 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 2fkx h LEU 33 CO 0.09 0.62 0.01 0.03 -0.34 0.00 0.00 178.44 178.84 2fkx h ARG 34 N 0.55 0.17 -0.04 1.25 2.47 -0.96 -0.70 114.38 117.12 2fkx h ARG 34 Ca 0.12 -0.05 0.03 0.00 -1.26 0.00 0.00 59.98 58.81 2fkx h ARG 34 Cb 0.35 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.62 2fkx h ARG 34 CO 0.01 0.40 -0.14 0.82 0.56 0.00 0.00 179.97 181.63 2fkx h ILE 35 N -0.08 0.65 -0.17 2.04 2.04 -1.03 -1.17 117.51 119.80 2fkx h ILE 35 Ca 0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.94 2fkx h ILE 35 Cb 0.32 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 36.98 2fkx h ILE 35 CO 0.00 0.00 -0.36 -1.13 0.00 0.00 0.00 178.15 176.66 2fkx h ASN 36 N -0.21 -1.13 1.34 1.72 -0.73 0.09 0.40 115.58 117.06 2fkx h ASN 36 Ca 0.06 0.16 -0.04 0.00 1.87 0.00 0.00 56.30 58.35 2fkx h ASN 36 Cb 0.29 0.48 -0.01 0.00 0.27 0.00 0.00 38.32 39.35 2fkx h ASN 36 CO -0.17 -0.38 -0.20 0.03 -0.37 0.00 0.00 177.43 176.35 2fkx h ARG 37 N -0.41 0.00 -0.04 6.67 3.08 -1.06 -2.19 114.38 120.42 2fkx h ARG 37 Ca 0.10 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.91 2fkx h ARG 37 Cb 0.58 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.64 2fkx h ARG 37 CO -0.40 0.20 -0.93 1.25 -1.07 0.00 0.00 179.97 179.02 2fkx h LEU 38 N 0.00 0.88 -0.25 3.04 5.85 -0.42 -0.97 115.31 123.44 2fkx h LEU 38 Ca -0.00 -0.71 0.01 0.00 0.84 0.00 0.00 57.88 58.02 2fkx h LEU 38 Cb 0.92 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 2fkx h LEU 38 CO 0.03 1.47 0.14 0.28 -0.34 0.00 0.00 178.44 180.02 2fkx h SER 39 N 0.38 0.23 1.04 1.25 0.02 -0.03 -0.11 113.55 116.32 2fkx h SER 39 Ca -0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2fkx h SER 39 Cb 1.58 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 64.08 2fkx h SER 39 CO 0.18 0.17 0.00 -0.62 -1.14 0.00 0.00 176.83 175.42 2fkx n GLU 40 N -4.95 0.12 -0.03 3.45 1.02 -0.84 -0.72 120.64 118.68 2fkx n GLU 40 Ca -0.02 0.18 -0.15 0.00 -0.02 0.00 0.00 57.16 57.14 2fkx n GLU 40 Cb 0.05 -1.66 -0.12 0.00 -0.02 0.00 0.00 31.44 29.69 2fkx n GLU 40 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2fkx h HIS 41 N 0.00 0.22 0.00 -0.32 2.76 -0.48 -3.24 115.15 114.08 2fkx h HIS 41 Ca 0.00 -0.13 0.00 0.00 -2.20 0.00 0.00 60.37 58.04 2fkx h HIS 41 Cb 0.52 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.46 2fkx h HIS 41 CO 0.00 0.96 0.00 1.28 -1.30 0.00 0.00 177.93 178.87 2fkx n LEU 42 N -4.51 0.00 -0.08 0.26 4.77 -0.12 0.19 117.00 117.51 2fkx n LEU 42 Ca -0.10 0.48 0.15 0.00 -0.03 0.00 0.00 56.01 56.52 2fkx n LEU 42 Cb 0.51 -0.48 0.85 0.00 -2.33 0.00 0.00 43.42 41.97 2fkx n LEU 42 CO 0.39 -0.12 1.05 0.29 -1.33 0.00 0.00 177.39 177.67 2fkx n LYS 43 N -1.48 1.03 0.02 3.23 5.02 0.10 -3.73 118.16 122.34 2fkx n LYS 43 Ca 0.06 -0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 2fkx n LYS 43 Cb 0.25 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 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 -0.85 0.27 -2.65 -0.18 0.31 -0.91 -4.91 118.33 109.42 2fkx n VAL 44 Ca 0.22 0.09 -0.42 0.00 -0.01 0.00 0.00 64.34 64.22 2fkx n VAL 44 Cb 0.17 -1.36 -0.02 0.00 -0.91 0.00 0.00 33.84 31.71 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 -2.00 2.74 -0.15 3.52 3.76 0.13 -4.60 115.29 118.69 2fkx s HIS 45 Ca 0.00 -1.16 0.05 0.00 -0.15 0.00 0.00 55.06 53.80 2fkx s HIS 45 Cb 0.00 -4.61 -0.07 0.00 1.11 0.00 0.00 32.58 29.01 2fkx s HIS 45 CO 0.00 -1.80 0.18 0.36 -0.85 0.00 0.00 174.74 172.62 2fkx n LYS 46 N 8.19 3.30 0.07 1.40 2.85 -1.25 -4.29 118.16 128.43 2fkx n LYS 46 Ca 0.34 -0.02 0.07 0.00 -1.05 0.00 0.00 58.31 57.65 2fkx n LYS 46 Cb 0.49 -0.89 -0.04 0.00 -0.65 0.00 0.00 35.03 33.95 2fkx n LYS 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2fkx n LYS 47 N -1.34 0.61 -0.00 -1.58 2.85 -1.26 -4.59 118.16 112.84 2fkx n LYS 47 Ca 0.00 0.16 -0.00 0.00 -1.05 0.00 0.00 58.31 57.42 2fkx n LYS 47 Cb 0.10 -1.81 -0.00 0.00 -0.65 0.00 0.00 35.03 32.67 2fkx n LYS 47 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 2fkx h ASP 48 N 0.00 -0.01 -4.82 -5.58 3.32 -1.94 -3.49 116.42 103.89 2fkx h ASP 48 Ca -0.07 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 2fkx h ASP 48 Cb 1.24 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.61 2fkx h ASP 48 CO 0.02 0.10 0.28 -1.38 -1.72 0.00 0.00 179.24 176.54 2fkx s HIS 49 N -1.25 -0.55 0.00 4.55 -3.43 -1.26 -5.11 115.29 108.24 2fkx s HIS 49 Ca -0.00 0.76 0.00 0.00 -0.80 0.00 0.00 55.06 55.02 2fkx s HIS 49 Cb 0.00 0.47 0.00 0.00 -1.43 0.00 0.00 32.58 31.62 2fkx s HIS 49 CO 0.01 -0.62 0.00 -2.39 -2.00 0.00 0.00 174.74 169.74 2fkx n HIS 50 N 0.45 0.00 0.10 0.38 1.44 -1.26 -4.74 115.22 111.60 2fkx n HIS 50 Ca -0.16 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.66 2fkx n HIS 50 Cb 0.60 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.70 2fkx n HIS 50 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 2fkx n SER 51 N 0.00 0.83 0.00 4.39 3.41 -1.26 -4.96 113.62 116.03 2fkx n SER 51 Ca 0.00 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 2fkx n SER 51 Cb 0.00 0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 2fkx n SER 51 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2fkx n HIS 52 N -2.67 0.00 -0.01 7.33 -0.00 -1.26 -4.91 115.22 113.70 2fkx n HIS 52 Ca -0.00 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.07 2fkx n HIS 52 Cb 0.55 -0.75 -0.06 0.00 -0.12 0.00 0.00 29.99 29.61 2fkx n HIS 52 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2fkx h ARG 53 N 0.71 0.15 0.00 1.57 2.47 -2.01 -2.94 114.38 114.34 2fkx h ARG 53 Ca 0.00 -0.02 -0.07 0.00 -1.26 0.00 0.00 59.98 58.63 2fkx h ARG 53 Cb 0.35 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 2fkx h ARG 53 CO 0.00 0.20 -0.35 0.78 0.56 0.00 0.00 179.97 181.16 2fkx h GLY 54 N 0.07 0.00 2.00 0.04 0.00 -2.01 -2.85 103.07 100.33 2fkx h GLY 54 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.29 2fkx h GLY 54 CO -0.01 0.00 -0.38 1.41 0.00 0.00 0.00 176.54 177.56 2fkx h LEU 55 N 0.00 0.00 -0.45 3.11 4.07 -1.94 -2.59 115.31 117.51 2fkx h LEU 55 Ca -0.00 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.80 2fkx h LEU 55 Cb 0.77 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.50 2fkx h LEU 55 CO 0.04 0.38 -0.43 -0.07 -1.08 0.00 0.00 178.44 177.29 2fkx h LEU 56 N 0.00 0.89 -0.41 1.67 3.38 -1.36 -0.22 115.31 119.25 2fkx h LEU 56 Ca -0.00 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 2fkx h LEU 56 Cb 1.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2fkx h LEU 56 CO 0.05 1.19 0.17 0.24 0.09 0.00 0.00 178.44 180.18 2fkx h MET 57 N 0.67 0.61 -0.29 1.13 2.86 -1.43 1.00 114.93 119.48 2fkx h MET 57 Ca 0.05 -0.11 -0.08 0.00 -2.06 0.00 0.00 59.70 57.50 2fkx h MET 57 Cb 1.00 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 2fkx h MET 57 CO 0.10 0.57 -0.11 0.52 1.06 0.00 0.00 176.91 179.04 2fkx h MET 58 N 0.52 0.59 -0.47 1.72 2.86 -1.35 -0.71 114.93 118.08 2fkx h MET 58 Ca 0.14 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 2fkx h MET 58 Cb 0.18 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 2fkx h MET 58 CO -0.01 0.81 0.07 0.28 1.06 0.00 0.00 176.91 179.12 2fkx h VAL 59 N 0.34 1.22 -0.41 -2.22 2.07 -0.94 -1.36 116.25 114.94 2fkx h VAL 59 Ca 0.07 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 2fkx h VAL 59 Cb 0.62 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2fkx h VAL 59 CO 0.04 0.30 0.20 1.23 0.02 0.00 0.00 177.57 179.36 2fkx h GLY 60 N 0.93 0.63 2.00 2.17 0.00 -0.55 -0.67 103.07 107.58 2fkx h GLY 60 Ca 0.15 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 2fkx h GLY 60 CO 0.01 0.29 -0.17 1.46 0.00 0.00 0.00 176.54 178.13 2fkx h GLN 61 N 0.53 0.00 -0.03 4.80 1.08 -0.76 -0.48 115.11 120.25 2fkx h GLN 61 Ca 0.14 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.27 2fkx h GLN 61 Cb 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 2fkx h GLN 61 CO -0.02 0.17 -0.28 -0.09 -0.95 0.00 0.00 178.83 177.66 2fkx h ARG 62 N 0.00 0.24 -0.56 1.46 2.43 -0.69 -1.43 114.38 115.83 2fkx h ARG 62 Ca -0.00 -0.22 -0.06 0.00 -0.81 0.00 0.00 59.98 58.89 2fkx h ARG 62 Cb 0.49 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 2fkx h ARG 62 CO 0.02 0.90 0.13 0.00 -1.51 0.00 0.00 179.97 179.51 2fkx h ARG 63 N -0.35 0.88 -0.23 0.20 3.08 -0.84 -1.39 114.38 115.73 2fkx h ARG 63 Ca -0.03 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.81 2fkx h ARG 63 Cb 0.98 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 2fkx h ARG 63 CO 0.06 0.79 0.06 -0.09 -1.07 0.00 0.00 179.97 179.72 2fkx h ARG 64 N 0.84 0.36 0.00 0.04 9.65 -1.10 -3.24 114.38 120.93 2fkx h ARG 64 Ca 0.18 -0.09 -0.02 0.00 -1.10 0.00 0.00 59.98 58.96 2fkx h ARG 64 Cb 0.32 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 28.85 2fkx h ARG 64 CO 0.00 0.47 -0.36 1.25 2.80 0.00 0.00 179.97 184.13 2fkx h LEU 65 N 0.19 0.00 -2.19 3.80 5.85 -1.10 -3.25 115.31 118.61 2fkx h LEU 65 Ca 0.07 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 2fkx h LEU 65 Cb 0.27 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 2fkx h LEU 65 CO 0.00 0.07 -0.02 0.17 -0.34 0.00 0.00 178.44 178.33 2fkx h LEU 66 N 0.00 0.00 -0.83 2.25 8.10 -1.28 -0.83 115.31 122.72 2fkx h LEU 66 Ca -0.01 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.87 2fkx h LEU 66 Cb 1.06 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.27 2fkx h LEU 66 CO 0.01 0.02 -0.32 0.03 -4.11 0.00 0.00 178.44 174.06 2fkx h ARG 67 N 0.00 0.49 0.13 0.17 3.08 -1.67 -2.43 114.38 114.15 2fkx h ARG 67 Ca -0.00 -0.21 -0.20 0.00 0.07 0.00 0.00 59.98 59.63 2fkx h ARG 67 Cb 0.27 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.31 2fkx h ARG 67 CO 0.00 0.76 -0.94 -0.92 -1.07 0.00 0.00 179.97 177.80 2fkx h TYR 68 N 0.43 0.48 -0.54 3.04 3.20 -1.39 -3.36 116.97 118.83 2fkx h TYR 68 Ca 0.05 -0.35 -0.01 0.00 3.14 0.00 0.00 58.73 61.56 2fkx h TYR 68 Cb 0.77 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.99 2fkx h TYR 68 CO 0.03 1.36 0.30 1.25 -1.64 0.00 0.00 178.16 179.46 2fkx h LEU 69 N -0.40 0.66 -1.24 2.82 6.46 -1.27 -2.61 115.31 119.73 2fkx h LEU 69 Ca -0.18 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.50 2fkx h LEU 69 Cb 1.64 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 41.40 2fkx h LEU 69 CO 0.11 0.55 0.00 0.00 -0.62 0.00 0.00 178.44 178.48 2fkx n GLN 70 N -4.64 0.16 0.09 1.25 10.64 -0.92 -2.49 117.38 121.48 2fkx n GLN 70 Ca 0.03 0.58 -0.12 0.00 -1.83 0.00 0.00 57.00 55.65 2fkx n GLN 70 Cb 0.07 -1.95 -0.09 0.00 -0.86 0.00 0.00 30.24 27.41 2fkx n GLN 70 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2fkx h ARG 71 N 0.00 0.23 0.00 2.61 3.08 -1.61 -2.89 114.38 115.80 2fkx h ARG 71 Ca 0.00 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.72 2fkx h ARG 71 Cb 0.12 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2fkx h ARG 71 CO 0.00 1.11 -0.56 0.39 -1.07 0.00 0.00 179.97 179.84 2fkx n GLU 72 N -3.56 0.03 -3.15 0.04 1.02 -1.04 -4.71 120.64 109.27 2fkx n GLU 72 Ca -0.06 0.01 0.05 0.00 -0.02 0.00 0.00 57.16 57.14 2fkx n GLU 72 Cb 0.93 -1.52 -0.00 0.00 -0.02 0.00 0.00 31.44 30.84 2fkx n GLU 72 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2fkx s ASP 73 N -3.11 -0.69 0.53 1.62 -1.08 -1.22 -5.03 116.67 107.69 2fkx s ASP 73 Ca 0.10 0.12 0.29 0.00 -0.52 0.00 0.00 52.55 52.55 2fkx s ASP 73 Cb 0.17 1.45 1.48 0.00 -1.46 0.00 0.00 42.92 44.56 2fkx s ASP 73 CO 0.72 -0.13 2.07 -0.65 0.52 0.00 0.00 175.17 177.70 2fkx h PRO 74 N 7.51 0.00 -0.02 4.34 0.11 -1.79 -2.61 132.00 139.54 2fkx h PRO 74 Ca -0.08 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.81 2fkx h PRO 74 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2fkx h PRO 74 CO -0.04 0.11 -0.89 0.93 -0.21 0.00 0.00 178.00 177.90 2fkx h GLU 75 N 0.00 0.41 -0.37 1.05 4.39 -1.96 -2.67 114.58 115.43 2fkx h GLU 75 Ca -0.00 -0.41 -0.05 0.00 0.34 0.00 0.00 59.36 59.23 2fkx h GLU 75 Cb 0.36 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 2fkx h GLU 75 CO 0.01 1.07 0.00 0.00 -1.16 0.00 0.00 179.01 178.94 2fkx h ARG 76 N 0.25 0.58 0.43 2.33 3.08 -1.85 -1.59 114.38 117.61 2fkx h ARG 76 Ca -0.07 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 2fkx h ARG 76 Cb 1.51 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.46 2fkx h ARG 76 CO 0.15 0.60 -0.40 -0.92 -1.07 0.00 0.00 179.97 178.33 2fkx h TYR 77 N 0.55 -1.09 -0.46 3.04 3.20 -1.21 0.15 116.97 121.14 2fkx h TYR 77 Ca 0.12 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.04 2fkx h TYR 77 Cb 0.35 0.42 -0.04 0.00 1.54 0.00 0.00 36.73 39.00 2fkx h TYR 77 CO 0.01 -0.56 0.20 0.00 -1.64 0.00 0.00 178.16 176.18 2fkx h ARG 78 N -0.84 0.40 0.11 1.82 3.08 -1.31 -1.09 114.38 116.55 2fkx h ARG 78 Ca -0.04 -0.02 -0.27 0.00 0.07 0.00 0.00 59.98 59.72 2fkx h ARG 78 Cb 0.74 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 2fkx h ARG 78 CO -0.05 0.26 -1.24 0.00 -1.07 0.00 0.00 179.97 177.88 2fkx h ALA 79 N 1.27 0.14 0.00 0.04 0.00 -1.19 -2.29 119.26 117.23 2fkx h ALA 79 Ca 0.21 -0.91 -0.03 0.00 0.00 0.00 0.00 54.91 54.18 2fkx h ALA 79 Cb 0.16 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2fkx h ALA 79 CO -0.17 1.02 -0.15 1.25 0.00 0.00 0.00 179.25 181.19 2fkx h LEU 80 N 0.06 0.00 0.21 0.00 5.85 -0.57 -0.95 115.31 119.92 2fkx h LEU 80 Ca -0.13 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.29 2fkx h LEU 80 Cb 1.95 0.00 0.03 0.00 0.37 0.00 0.00 40.66 43.02 2fkx h LEU 80 CO 0.19 0.15 -1.31 0.16 -0.34 0.00 0.00 178.44 177.30 2fkx h ILE 81 N 0.00 1.33 0.00 4.05 -0.00 -1.18 0.35 117.51 122.06 2fkx h ILE 81 Ca -0.00 -2.61 0.00 0.00 -0.00 0.00 0.00 64.86 62.24 2fkx h ILE 81 Cb 0.83 3.01 0.00 0.00 -0.00 0.00 0.00 36.82 40.66 2fkx h ILE 81 CO 0.02 0.78 0.00 -0.08 -0.00 0.00 0.00 178.15 178.87 2fkx h GLU 82 N 0.07 0.00 0.00 0.16 4.81 -1.22 0.81 114.58 119.22 2fkx h GLU 82 Ca -0.22 0.00 -0.41 0.00 -0.13 0.00 0.00 59.36 58.60 2fkx h GLU 82 Cb 2.02 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 31.33 2fkx h GLU 82 CO 0.25 0.00 -2.45 0.36 -0.73 0.00 0.00 179.01 176.44 2fkx n LYS 83 N -2.90 0.59 0.00 1.92 2.85 -0.38 -3.57 118.16 116.68 2fkx n LYS 83 Ca 0.00 0.19 0.00 0.00 -1.05 0.00 0.00 58.31 57.46 2fkx n LYS 83 Cb 0.26 -1.47 0.00 0.00 -0.65 0.00 0.00 35.03 33.17 2fkx n LYS 83 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2fkx n LEU 84 N -3.69 0.00 0.14 -5.58 4.77 0.38 -4.45 117.00 108.57 2fkx n LEU 84 Ca -0.48 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.25 2fkx n LEU 84 Cb 0.92 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.85 2fkx n LEU 84 CO 0.14 0.00 -0.29 1.23 -1.33 0.00 0.00 177.39 177.14 2fkx h GLY 85 N 0.00 0.60 0.00 -0.72 0.00 0.31 -3.38 103.07 99.89 2fkx h GLY 85 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 47.33 45.80 2fkx h GLY 85 CO 0.00 1.34 -0.47 1.39 0.00 0.00 0.00 176.54 178.80 2fkx n ILE 86 N -3.70 0.00 0.00 2.60 5.41 0.24 -4.96 119.36 118.95 2fkx n ILE 86 Ca -0.18 -0.16 0.00 0.00 1.00 0.00 0.00 62.75 63.41 2fkx n ILE 86 Cb 1.10 0.64 0.00 0.00 -0.71 0.00 0.00 39.64 40.67 2fkx n ILE 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2fkx n ARG 87 N -1.03 0.00 -0.78 0.38 1.74 0.12 -4.96 116.66 112.13 2fkx n ARG 87 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2fkx n ARG 87 Cb 0.00 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 29.84 2fkx n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52