#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fjr n SER 5 N 0.00 1.66 -1.57 1.67 3.41 -1.26 -4.89 113.62 112.64 2fjr n SER 5 Ca 0.00 -2.56 -0.15 0.00 -0.26 0.00 0.00 58.87 55.90 2fjr n SER 5 Cb 0.00 -1.03 0.01 0.00 -0.26 0.00 0.00 64.21 62.93 2fjr n SER 5 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2fjr n LEU 6 N 11.43 -1.86 0.00 1.04 4.32 -1.26 -3.72 117.00 126.95 2fjr n LEU 6 Ca 0.46 0.04 0.00 0.00 -0.02 0.00 0.00 56.01 56.49 2fjr n LEU 6 Cb 0.43 -0.25 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 2fjr n LEU 6 CO 0.98 -1.77 0.00 0.61 -1.22 0.00 0.00 177.39 175.99 2fjr n GLY 7 N 1.38 2.46 3.68 -0.72 0.00 -1.26 -5.00 105.19 105.73 2fjr n GLY 7 Ca -0.01 -0.51 -0.51 0.00 0.00 0.00 0.00 46.02 44.99 2fjr n GLY 7 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2fjr n TRP 8 N 0.00 2.19 -3.20 1.61 7.02 -1.24 -4.93 117.44 118.88 2fjr n TRP 8 Ca 0.00 0.22 -0.42 0.00 -1.02 0.00 0.00 57.50 56.28 2fjr n TRP 8 Cb 0.00 -2.57 -0.07 0.00 -2.42 0.00 0.00 31.31 26.24 2fjr n TRP 8 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2fjr s SER 9 N 3.24 6.33 0.34 -0.99 0.15 -1.26 -4.93 113.70 116.58 2fjr s SER 9 Ca 0.92 -0.06 0.01 0.00 0.70 0.00 0.00 55.95 57.52 2fjr s SER 9 Cb -0.81 -2.28 0.58 0.00 -1.71 0.00 0.00 66.02 61.80 2fjr s SER 9 CO 0.53 -0.54 1.99 -0.55 1.20 0.00 0.00 173.24 175.87 2fjr h ASN 10 N 8.52 0.77 -0.20 5.45 -1.07 -1.89 -0.78 115.58 126.37 2fjr h ASN 10 Ca -0.27 -0.03 -0.01 0.00 0.07 0.00 0.00 56.30 56.06 2fjr h ASN 10 Cb 1.12 -0.19 -0.01 0.00 -2.07 0.00 0.00 38.32 37.17 2fjr h ASN 10 CO 0.80 0.57 0.11 0.58 0.07 0.00 0.00 177.43 179.56 2fjr h VAL 11 N 0.90 1.12 -0.52 6.14 2.07 -1.89 -1.56 116.25 122.50 2fjr h VAL 11 Ca 0.24 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 2fjr h VAL 11 Cb -0.07 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2fjr h VAL 11 CO -0.05 0.11 0.05 0.44 0.02 0.00 0.00 177.57 178.15 2fjr h ASP 12 N 0.21 0.81 0.14 0.57 3.32 -1.82 -1.26 116.42 118.38 2fjr h ASP 12 Ca 0.07 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 2fjr h ASP 12 Cb 0.09 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.42 2fjr h ASP 12 CO -0.01 0.84 -0.06 0.58 -1.72 0.00 0.00 179.24 178.86 2fjr h VAL 13 N 0.80 0.91 -0.81 -1.35 2.07 -0.97 -0.07 116.25 116.83 2fjr h VAL 13 Ca 0.16 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.53 2fjr h VAL 13 Cb 0.40 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 2fjr h VAL 13 CO 0.01 0.04 0.53 -0.07 0.02 0.00 0.00 177.57 178.10 2fjr h LEU 14 N -0.26 0.89 -0.84 2.57 3.38 -1.13 0.72 115.31 120.64 2fjr h LEU 14 Ca -0.02 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 2fjr h LEU 14 Cb 0.21 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2fjr h LEU 14 CO 0.03 0.62 -0.13 0.44 0.09 0.00 0.00 178.44 179.50 2fjr h ASP 15 N 1.04 0.72 0.46 -0.43 3.32 -1.05 -0.65 116.42 119.84 2fjr h ASP 15 Ca 0.32 -0.22 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 2fjr h ASP 15 Cb -0.04 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 2fjr h ASP 15 CO -0.10 0.87 -0.52 0.03 -1.72 0.00 0.00 179.24 177.80 2fjr h ARG 16 N 0.66 0.06 -0.62 3.56 3.08 -0.51 -0.03 114.38 120.58 2fjr h ARG 16 Ca 0.11 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 2fjr h ARG 16 Cb 0.59 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 2fjr h ARG 16 CO 0.04 0.57 0.10 0.82 -1.07 0.00 0.00 179.97 180.43 2fjr h ILE 17 N 0.05 1.26 -0.78 2.04 2.04 -0.35 0.80 117.51 122.57 2fjr h ILE 17 Ca -0.00 -1.01 -0.03 0.00 1.00 0.00 0.00 64.86 64.82 2fjr h ILE 17 Cb 0.94 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 2fjr h ILE 17 CO 0.07 0.37 0.36 0.00 0.00 0.00 0.00 178.15 178.95 2fjr h GLU 19 N 1.11 0.87 -0.83 0.00 4.81 -0.48 0.14 114.58 120.20 2fjr h GLU 19 Ca 0.27 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 2fjr h GLU 19 Cb 0.15 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 2fjr h GLU 19 CO -0.03 0.61 0.47 0.00 -0.73 0.00 0.00 179.01 179.33 2fjr h ALA 20 N 1.21 1.28 0.00 2.92 0.00 -0.30 -1.95 119.26 122.42 2fjr h ALA 20 Ca 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2fjr h ALA 20 Cb -0.05 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.41 2fjr h ALA 20 CO -0.05 0.60 -0.18 0.66 0.00 0.00 0.00 179.25 180.28 2fjr n TYR 21 N -4.36 0.16 -1.01 0.00 4.02 -0.84 -4.83 117.16 110.31 2fjr n TYR 21 Ca 0.09 0.05 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 2fjr n TYR 21 Cb 0.08 -0.50 0.00 0.00 -0.02 0.00 0.00 39.34 38.90 2fjr n TYR 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2fjr n GLY 22 N 1.46 0.47 3.71 2.72 0.00 -0.29 -4.92 105.19 108.34 2fjr n GLY 22 Ca 0.06 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 2fjr n GLY 22 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fjr s PHE 23 N -2.00 3.59 -0.22 1.61 0.08 0.35 -4.95 117.98 116.43 2fjr s PHE 23 Ca 0.00 1.43 0.22 0.00 0.12 0.00 0.00 56.93 58.71 2fjr s PHE 23 Cb 0.00 -2.96 -0.03 0.00 -0.57 0.00 0.00 43.02 39.46 2fjr s PHE 23 CO 0.00 0.00 0.99 -1.13 -0.10 0.00 0.00 175.22 174.98 2fjr n SER 24 N 4.04 0.76 -4.16 1.36 3.41 -1.26 -4.47 113.62 113.30 2fjr n SER 24 Ca 0.03 0.29 -0.23 0.00 -0.26 0.00 0.00 58.87 58.70 2fjr n SER 24 Cb 0.51 0.60 -0.14 0.00 -0.26 0.00 0.00 64.21 64.91 2fjr n SER 24 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2fjr s GLN 25 N -3.38 1.19 0.43 4.33 -0.21 -1.26 -5.03 119.66 115.73 2fjr s GLN 25 Ca -0.01 -0.70 0.17 0.00 0.02 0.00 0.00 55.36 54.84 2fjr s GLN 25 Cb 0.10 -1.19 1.08 0.00 1.00 0.00 0.00 33.01 34.00 2fjr s GLN 25 CO 0.80 0.31 1.90 0.87 -2.12 0.00 0.00 175.29 177.06 2fjr h LYS 26 N 5.31 0.38 0.00 2.91 1.57 -2.01 -1.12 116.57 123.61 2fjr h LYS 26 Ca -0.38 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.38 2fjr h LYS 26 Cb 1.16 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 2fjr h LYS 26 CO 0.46 0.25 -0.02 0.97 -0.57 0.00 0.00 179.45 180.55 2fjr h ILE 27 N 0.39 1.00 -0.41 1.86 6.09 -1.97 -1.22 117.51 123.25 2fjr h ILE 27 Ca 0.40 -0.06 -0.07 0.00 -1.37 0.00 0.00 64.86 63.76 2fjr h ILE 27 Cb 0.97 1.03 -0.02 0.00 0.47 0.00 0.00 36.82 39.27 2fjr h ILE 27 CO -0.13 0.02 -0.04 1.56 -3.07 0.00 0.00 178.15 176.49 2fjr h GLN 28 N 0.00 0.68 -0.24 2.19 4.20 -1.63 -1.41 115.11 118.92 2fjr h GLN 28 Ca -0.00 -0.19 -0.09 0.00 0.06 0.00 0.00 58.65 58.44 2fjr h GLN 28 Cb 0.03 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 2fjr h GLN 28 CO 0.00 0.73 -0.19 1.25 -0.67 0.00 0.00 178.83 179.96 2fjr h LEU 29 N 0.64 0.58 -0.53 1.46 5.85 -1.34 0.71 115.31 122.67 2fjr h LEU 29 Ca 0.12 -0.45 0.06 0.00 0.84 0.00 0.00 57.88 58.45 2fjr h LEU 29 Cb 0.46 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 2fjr h LEU 29 CO 0.02 0.90 0.25 0.00 -0.34 0.00 0.00 178.44 179.27 2fjr h ALA 30 N 0.69 0.68 -0.39 1.25 0.00 -1.24 -1.52 119.26 118.74 2fjr h ALA 30 Ca 0.04 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2fjr h ALA 30 Cb 0.72 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2fjr h ALA 30 CO 0.05 -0.12 0.20 -0.91 0.00 0.00 0.00 179.25 178.47 2fjr h ASN 31 N 0.47 0.49 -0.93 0.00 4.21 -1.14 0.51 115.58 119.19 2fjr h ASN 31 Ca 0.25 -0.10 0.10 0.00 1.21 0.00 0.00 56.30 57.75 2fjr h ASN 31 Cb 0.20 -0.13 -0.08 0.00 -1.12 0.00 0.00 38.32 37.20 2fjr h ASN 31 CO -0.20 0.45 0.57 -0.74 -1.29 0.00 0.00 177.43 176.23 2fjr h HIS 32 N 0.49 1.04 -0.55 1.19 2.76 -0.10 -1.26 115.15 118.72 2fjr h HIS 32 Ca 0.13 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 2fjr h HIS 32 Cb 0.08 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 28.71 2fjr h HIS 32 CO -0.02 0.45 0.00 1.19 -1.30 0.00 0.00 177.93 178.25 2fjr n PHE 33 N -4.64 1.57 -3.87 5.26 3.01 -0.64 -4.96 117.46 113.19 2fjr n PHE 33 Ca 0.16 -0.58 -0.25 0.00 1.01 0.00 0.00 57.45 57.79 2fjr n PHE 33 Cb 0.28 -0.34 0.00 0.00 -0.01 0.00 0.00 39.48 39.41 2fjr n PHE 33 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2fjr n ASP 34 N 0.79 -1.02 -4.37 4.37 2.03 -0.44 -5.00 116.55 112.91 2fjr n ASP 34 Ca 0.24 -0.93 -0.19 0.00 0.52 0.00 0.00 54.79 54.43 2fjr n ASP 34 Cb 0.94 -3.45 -0.10 0.00 -0.72 0.00 0.00 41.12 37.79 2fjr n ASP 34 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2fjr s ILE 35 N -3.79 1.77 0.56 5.18 -4.36 0.04 -5.02 121.20 115.59 2fjr s ILE 35 Ca 0.08 -2.21 -0.18 0.00 -0.26 0.00 0.00 60.65 58.08 2fjr s ILE 35 Cb -0.04 -2.14 -0.05 0.00 1.25 0.00 0.00 42.46 41.48 2fjr s ILE 35 CO 0.86 -0.52 1.07 0.00 0.24 0.00 0.00 174.94 176.59 2fjr s ALA 36 N -2.95 2.74 0.29 2.27 0.00 -1.26 -4.27 121.76 118.58 2fjr s ALA 36 Ca 0.24 0.57 0.01 0.00 0.00 0.00 0.00 51.96 52.78 2fjr s ALA 36 Cb -0.00 -3.28 0.54 0.00 0.00 0.00 0.00 23.12 20.38 2fjr s ALA 36 CO 0.08 -0.71 1.86 1.03 0.00 0.00 0.00 175.76 178.03 2fjr h SER 37 N 0.89 0.93 -0.03 0.00 0.87 -1.94 -0.74 113.55 113.52 2fjr h SER 37 Ca -0.48 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.06 2fjr h SER 37 Cb 1.23 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 2fjr h SER 37 CO 0.57 0.53 -0.11 0.77 -0.53 0.00 0.00 176.83 178.06 2fjr h SER 38 N 1.02 0.30 -0.28 6.23 4.64 -1.99 -0.45 113.55 123.01 2fjr h SER 38 Ca 0.46 -0.06 -0.11 0.00 -0.47 0.00 0.00 61.79 61.61 2fjr h SER 38 Cb 0.39 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 2fjr h SER 38 CO -0.22 0.44 -0.21 0.28 -0.87 0.00 0.00 176.83 176.26 2fjr h SER 39 N 0.30 0.75 -0.45 4.97 0.02 -1.52 -1.83 113.55 115.80 2fjr h SER 39 Ca 0.06 -0.26 -0.13 0.00 -0.84 0.00 0.00 61.79 60.62 2fjr h SER 39 Cb 0.39 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 2fjr h SER 39 CO 0.02 0.95 -0.21 0.25 -1.14 0.00 0.00 176.83 176.70 2fjr h LEU 40 N 0.66 0.96 -0.96 5.07 5.85 -0.72 -2.09 115.31 124.08 2fjr h LEU 40 Ca 0.09 -0.40 0.05 0.00 0.84 0.00 0.00 57.88 58.46 2fjr h LEU 40 Cb 0.70 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 2fjr h LEU 40 CO 0.05 1.15 0.62 0.28 -0.34 0.00 0.00 178.44 180.20 2fjr h SER 41 N 0.77 1.01 -0.50 1.25 0.02 -0.84 0.24 113.55 115.51 2fjr h SER 41 Ca 0.10 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 2fjr h SER 41 Cb 0.78 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 2fjr h SER 41 CO 0.06 0.67 0.19 -1.13 -1.14 0.00 0.00 176.83 175.49 2fjr h ASN 42 N 1.17 0.74 -0.25 3.07 -0.73 -1.12 0.21 115.58 118.67 2fjr h ASN 42 Ca 0.40 -0.11 -0.04 0.00 1.87 0.00 0.00 56.30 58.42 2fjr h ASN 42 Cb 0.08 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.46 2fjr h ASN 42 CO -0.15 0.69 0.03 0.03 -0.37 0.00 0.00 177.43 177.66 2fjr h ARG 43 N 0.80 0.53 -0.04 6.67 3.08 -0.27 0.56 114.38 125.70 2fjr h ARG 43 Ca 0.19 -0.10 -0.23 0.00 0.07 0.00 0.00 59.98 59.90 2fjr h ARG 43 Cb 0.21 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.18 2fjr h ARG 43 CO -0.01 0.54 -0.91 1.88 -1.07 0.00 0.00 179.97 180.40 2fjr h TYR 44 N 0.51 0.81 -0.24 3.04 -1.99 -0.46 -3.31 116.97 115.33 2fjr h TYR 44 Ca 0.11 -0.41 -0.18 0.00 2.00 0.00 0.00 58.73 60.25 2fjr h TYR 44 Cb 0.29 -0.10 0.00 0.00 2.00 0.00 0.00 36.73 38.92 2fjr h TYR 44 CO 0.01 1.23 -0.56 1.15 -0.00 0.00 0.00 178.16 179.99 2fjr h THR 45 N 0.34 1.29 -4.22 -2.88 2.02 -0.62 -3.42 112.91 105.42 2fjr h THR 45 Ca -0.08 -1.75 -0.52 0.00 0.77 0.00 0.00 66.41 64.83 2fjr h THR 45 Cb 1.54 1.75 0.13 0.00 -1.74 0.00 0.00 68.15 69.83 2fjr h THR 45 CO 0.17 0.56 0.36 0.00 0.37 0.00 0.00 175.52 176.98 2fjr s ARG 46 N -4.03 2.39 0.16 6.66 1.70 0.16 -4.96 118.95 121.02 2fjr s ARG 46 Ca -0.11 1.46 0.08 0.00 -0.47 0.00 0.00 55.73 56.69 2fjr s ARG 46 Cb 0.09 -1.89 -0.07 0.00 -0.57 0.00 0.00 34.95 32.51 2fjr s ARG 46 CO 0.88 -1.58 1.36 0.78 -1.08 0.00 0.00 175.30 175.66 2fjr h GLY 47 N -0.41 0.01 -4.45 3.88 0.00 -1.88 -3.46 103.07 96.75 2fjr h GLY 47 Ca -0.46 -0.01 -0.53 0.00 0.00 0.00 0.00 47.33 46.33 2fjr h GLY 47 CO 0.51 0.01 0.82 0.00 0.00 0.00 0.00 176.54 177.88 2fjr s ALA 48 N -2.94 3.70 0.41 3.60 0.00 -1.26 -4.54 121.76 120.72 2fjr s ALA 48 Ca 0.00 1.34 -0.26 0.00 0.00 0.00 0.00 51.96 53.04 2fjr s ALA 48 Cb 0.11 -3.59 -0.08 0.00 0.00 0.00 0.00 23.12 19.55 2fjr s ALA 48 CO 0.81 -0.75 1.26 0.42 0.00 0.00 0.00 175.76 177.49 2fjr s ILE 49 N 0.65 2.77 -1.30 0.00 -1.09 -1.26 -4.89 121.20 116.09 2fjr s ILE 49 Ca 0.65 0.67 -0.12 0.00 -2.23 0.00 0.00 60.65 59.62 2fjr s ILE 49 Cb -0.42 -3.39 0.14 0.00 -1.58 0.00 0.00 42.46 37.21 2fjr s ILE 49 CO 0.36 0.08 1.83 -1.20 -1.23 0.00 0.00 174.94 174.78 2fjr n SER 50 N 0.06 4.91 0.08 3.58 7.64 -1.26 -4.77 113.62 123.86 2fjr n SER 50 Ca 0.04 -3.02 0.04 0.00 1.01 0.00 0.00 58.87 56.94 2fjr n SER 50 Cb 0.45 -1.55 0.46 0.00 -1.01 0.00 0.00 64.21 62.56 2fjr n SER 50 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 2fjr h TYR 51 N 6.24 0.35 -0.36 1.43 0.05 -1.99 -1.45 116.97 121.24 2fjr h TYR 51 Ca 0.41 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.18 2fjr h TYR 51 Cb 0.70 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.31 2fjr h TYR 51 CO 1.27 0.27 0.20 0.38 -1.05 0.00 0.00 178.16 179.22 2fjr h ASP 52 N 0.37 0.45 -0.30 3.88 2.03 -2.00 0.46 116.42 121.31 2fjr h ASP 52 Ca 0.09 -0.09 -0.13 0.00 -0.73 0.00 0.00 57.03 56.18 2fjr h ASP 52 Cb 0.05 -0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 38.42 2fjr h ASP 52 CO -0.01 0.41 -0.27 -0.26 -1.03 0.00 0.00 179.24 178.07 2fjr h PHE 53 N 0.46 0.93 -0.49 4.15 -1.00 -1.85 -1.73 116.94 117.40 2fjr h PHE 53 Ca 0.13 -0.23 -0.04 0.00 2.81 0.00 0.00 57.97 60.63 2fjr h PHE 53 Cb 0.05 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.38 2fjr h PHE 53 CO -0.03 0.98 0.14 0.00 -1.61 0.00 0.00 178.31 177.79 2fjr h ALA 54 N 1.00 0.64 -0.19 2.45 0.00 -1.07 0.21 119.26 122.31 2fjr h ALA 54 Ca 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2fjr h ALA 54 Cb 0.81 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2fjr h ALA 54 CO 0.07 0.31 0.09 0.00 0.00 0.00 0.00 179.25 179.71 2fjr h ALA 55 N 1.00 0.24 -0.08 0.00 0.00 -0.78 0.24 119.26 119.88 2fjr h ALA 55 Ca 0.15 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2fjr h ALA 55 Cb 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2fjr h ALA 55 CO -0.00 -0.19 -0.34 0.45 0.00 0.00 0.00 179.25 179.17 2fjr h HIS 56 N 0.17 0.19 -0.37 0.00 -0.00 -1.15 -1.52 115.15 112.47 2fjr h HIS 56 Ca 0.06 -0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 60.35 2fjr h HIS 56 Cb 0.13 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.48 2fjr h HIS 56 CO -0.02 0.49 0.06 0.00 -0.00 0.00 0.00 177.93 178.46 2fjr h ALA 58 N 0.91 -0.72 -0.62 0.00 0.00 -0.58 0.02 119.26 118.27 2fjr h ALA 58 Ca 0.11 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2fjr h ALA 58 Cb 0.36 0.59 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 2fjr h ALA 58 CO 0.01 -0.96 0.34 -0.07 0.00 0.00 0.00 179.25 178.57 2fjr h LEU 59 N -0.68 0.51 -0.03 0.00 4.07 -1.15 0.33 115.31 118.35 2fjr h LEU 59 Ca 0.00 0.03 -0.25 0.00 0.08 0.00 0.00 57.88 57.74 2fjr h LEU 59 Cb 0.66 -0.07 0.01 0.00 1.08 0.00 0.00 40.66 42.33 2fjr h LEU 59 CO -0.15 0.34 -1.09 -0.33 -1.08 0.00 0.00 178.44 176.12 2fjr h GLU 60 N 0.64 0.39 0.00 1.13 5.08 -0.74 -3.37 114.58 117.71 2fjr h GLU 60 Ca 0.27 -0.51 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2fjr h GLU 60 Cb 0.15 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2fjr h GLU 60 CO -0.17 1.18 -1.10 0.25 -1.00 0.00 0.00 179.01 178.18 2fjr n THR 61 N -3.68 0.00 -1.00 1.13 -2.24 -0.02 -4.86 114.28 103.61 2fjr n THR 61 Ca -0.08 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2fjr n THR 61 Cb 0.92 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 2fjr n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fjr n GLY 62 N 1.47 0.60 3.75 3.38 0.00 0.12 -4.82 105.19 109.69 2fjr n GLY 62 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 2fjr n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fjr s ALA 63 N -2.41 2.76 -0.11 4.61 0.00 -1.22 -4.91 121.76 120.48 2fjr s ALA 63 Ca 0.00 1.21 -0.29 0.00 0.00 0.00 0.00 51.96 52.88 2fjr s ALA 63 Cb 0.00 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 2fjr s ALA 63 CO 0.00 -1.24 1.68 1.21 0.00 0.00 0.00 175.76 177.41 2fjr s ASN 64 N -1.15 6.52 0.14 0.00 3.84 -0.58 -4.51 114.94 119.19 2fjr s ASN 64 Ca 0.72 2.06 -0.22 0.00 0.21 0.00 0.00 52.86 55.63 2fjr s ASN 64 Cb -0.37 -2.53 -0.01 0.00 -0.55 0.00 0.00 41.25 37.80 2fjr s ASN 64 CO 0.43 -1.08 1.66 0.25 -2.79 0.00 0.00 177.10 175.57 2fjr h LEU 65 N 10.90 -0.52 -0.80 3.21 6.46 -1.91 -0.84 115.31 131.81 2fjr h LEU 65 Ca -0.38 0.10 0.16 0.00 -0.12 0.00 0.00 57.88 57.64 2fjr h LEU 65 Cb 1.18 0.25 -0.10 0.00 -0.73 0.00 0.00 40.66 41.25 2fjr h LEU 65 CO 0.97 -0.21 0.32 -0.61 -0.62 0.00 0.00 178.44 178.29 2fjr h GLN 66 N -0.19 0.42 -0.44 1.25 5.75 -1.93 -0.35 115.11 119.63 2fjr h GLN 66 Ca 0.11 -0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 58.49 2fjr h GLN 66 Cb 0.35 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.79 2fjr h GLN 66 CO -0.27 0.28 -0.07 2.35 -2.65 0.00 0.00 178.83 178.47 2fjr h TRP 67 N 0.43 0.91 -0.43 3.99 7.01 -1.47 0.13 115.95 126.52 2fjr h TRP 67 Ca 0.46 -0.18 0.03 0.00 2.11 0.00 0.00 58.89 61.31 2fjr h TRP 67 Cb 0.75 -0.23 -0.04 0.00 -2.10 0.00 0.00 29.16 27.54 2fjr h TRP 67 CO -0.17 0.90 0.22 -0.07 -2.79 0.00 0.00 178.44 176.54 2fjr h LEU 68 N 0.65 0.33 -0.09 0.65 3.38 0.22 0.91 115.31 121.35 2fjr h LEU 68 Ca 0.12 0.02 -0.23 0.00 0.09 0.00 0.00 57.88 57.87 2fjr h LEU 68 Cb 0.59 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2fjr h LEU 68 CO 0.04 0.23 -1.03 -0.07 0.09 0.00 0.00 178.44 177.70 2fjr h LEU 69 N 0.44 0.36 0.00 1.67 3.38 -1.02 -3.39 115.31 116.75 2fjr h LEU 69 Ca 0.18 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 2fjr h LEU 69 Cb 0.08 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2fjr h LEU 69 CO -0.12 1.18 -1.26 0.35 0.09 0.00 0.00 178.44 178.68 2fjr n THR 70 N -3.61 0.10 -0.77 0.22 -2.24 0.02 -4.69 114.28 103.31 2fjr n THR 70 Ca -0.06 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2fjr n THR 70 Cb 0.90 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 2fjr n THR 70 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fjr n GLY 71 N 2.37 0.86 3.76 3.38 0.00 0.31 -5.01 105.19 110.86 2fjr n GLY 71 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 2fjr n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2fjr s GLU 72 N -0.23 4.73 4.04 1.61 2.02 -1.26 -4.78 118.70 124.83 2fjr s GLU 72 Ca 0.00 1.61 0.00 0.00 0.02 0.00 0.00 54.97 56.60 2fjr s GLU 72 Cb 0.00 -3.19 0.00 0.00 0.10 0.00 0.00 34.13 31.04 2fjr s GLU 72 CO 0.00 0.36 0.00 0.41 0.02 0.00 0.00 175.26 176.05 2fjr n GLY 73 N 1.28 0.43 3.16 -1.39 0.00 -1.26 -3.86 105.19 103.55 2fjr n GLY 73 Ca -0.01 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 2fjr n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2fjr s GLU 74 N 0.00 0.58 0.04 1.61 2.12 -1.26 -5.07 118.70 116.72 2fjr s GLU 74 Ca 0.00 -0.39 -0.13 0.00 0.36 0.00 0.00 54.97 54.81 2fjr s GLU 74 Cb 0.00 0.25 -0.05 0.00 0.26 0.00 0.00 34.13 34.59 2fjr s GLU 74 CO 0.00 -0.15 1.21 0.00 -0.54 0.00 0.00 175.26 175.78 2fjr h ALA 75 N 3.98 -0.62 -2.87 6.30 0.00 -1.92 -3.42 119.26 120.70 2fjr h ALA 75 Ca -0.31 -0.02 -0.53 0.00 0.00 0.00 0.00 54.91 54.05 2fjr h ALA 75 Cb 1.19 0.73 -0.18 0.00 0.00 0.00 0.00 17.79 19.53 2fjr h ALA 75 CO 0.42 -0.69 -0.78 -0.06 0.00 0.00 0.00 179.25 178.13 2fjr s PHE 76 N -4.04 1.87 -0.05 0.00 0.40 -1.26 -1.53 117.98 113.37 2fjr s PHE 76 Ca -0.06 -0.46 -0.04 0.00 -0.60 0.00 0.00 56.93 55.77 2fjr s PHE 76 Cb 0.03 -0.92 -0.01 0.00 0.51 0.00 0.00 43.02 42.62 2fjr s PHE 76 CO 0.23 0.36 -0.08 0.28 0.70 0.00 0.00 175.22 176.72 2fjr n VAL 77 N 0.22 0.45 0.05 -0.44 0.31 -1.26 -5.02 118.33 112.63 2fjr n VAL 77 Ca -0.13 0.40 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 2fjr n VAL 77 Cb 0.57 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 2fjr n VAL 77 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2fjr n ASN 78 N -3.03 -0.20 -4.82 4.52 4.13 -1.26 -5.00 115.26 109.59 2fjr n ASN 78 Ca -0.03 0.16 -0.34 0.00 1.68 0.00 0.00 54.58 56.05 2fjr n ASN 78 Cb 0.11 0.29 -0.06 0.00 -1.54 0.00 0.00 39.78 38.58 2fjr n ASN 78 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 2fjr s ASN 79 N -4.64 6.97 -1.39 6.41 2.47 -1.26 -3.44 114.94 120.06 2fjr s ASN 79 Ca 0.00 1.47 0.00 0.00 0.42 0.00 0.00 52.86 54.75 2fjr s ASN 79 Cb 0.00 -2.44 0.00 0.00 -1.45 0.00 0.00 41.25 37.36 2fjr s ASN 79 CO 0.00 -0.14 0.00 0.54 -3.72 0.00 0.00 177.10 173.78 2fjr n ARG 80 N 0.04 -1.54 -1.55 0.43 1.74 -1.26 -4.85 116.66 109.68 2fjr n ARG 80 Ca 0.02 0.88 -0.47 0.00 -0.77 0.00 0.00 57.85 57.51 2fjr n ARG 80 Cb 0.52 -5.16 -0.05 0.00 -1.02 0.00 0.00 32.46 26.75 2fjr n ARG 80 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2fjr n GLU 81 N -1.40 1.67 0.00 5.56 2.13 -1.22 -3.03 120.64 124.34 2fjr n GLU 81 Ca -0.13 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.17 2fjr n GLU 81 Cb 0.54 -2.86 0.00 0.00 0.27 0.00 0.00 31.44 29.39 2fjr n GLU 81 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2fjr n SER 82 N 10.25 0.00 0.00 4.31 2.88 -1.26 -4.87 113.62 124.93 2fjr n SER 82 Ca 0.33 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 2fjr n SER 82 Cb 0.34 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 2fjr n SER 82 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2fjr n SER 83 N 1.89 0.00 0.00 -3.46 2.88 -1.17 -4.83 113.62 108.93 2fjr n SER 83 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2fjr n SER 83 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2fjr n SER 83 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2fjr n ASP 84 N 4.23 0.00 -3.76 -3.46 8.00 -1.26 -4.80 116.55 115.51 2fjr n ASP 84 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 2fjr n ASP 84 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 2fjr n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2fjr s ALA 85 N -0.66 -0.73 0.00 2.24 0.00 -1.26 -3.67 121.76 117.69 2fjr s ALA 85 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.88 2fjr s ALA 85 Cb 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.58 2fjr s ALA 85 CO 0.00 -0.16 0.00 1.17 0.00 0.00 0.00 175.76 176.77 2fjr n LYS 86 N 3.23 0.00 -4.58 0.00 3.00 -1.24 -2.72 118.16 115.85 2fjr n LYS 86 Ca -0.16 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.83 2fjr n LYS 86 Cb 0.57 -0.56 -0.16 0.00 0.00 0.00 0.00 35.03 34.87 2fjr n LYS 86 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2fjr s ARG 87 N -2.00 2.99 -0.06 1.64 0.52 -1.26 0.18 118.95 120.96 2fjr s ARG 87 Ca 0.00 -0.84 0.06 0.00 -0.52 0.00 0.00 55.73 54.43 2fjr s ARG 87 Cb 0.00 -2.43 -0.01 0.00 0.52 0.00 0.00 34.95 33.03 2fjr s ARG 87 CO 0.00 -0.05 -0.25 0.42 0.02 0.00 0.00 175.30 175.45 2fjr s ILE 88 N 0.89 2.03 0.26 1.52 1.01 0.12 -4.95 121.20 122.08 2fjr s ILE 88 Ca -0.05 -1.05 -0.31 0.00 0.00 0.00 0.00 60.65 59.24 2fjr s ILE 88 Cb -0.15 -1.72 -0.13 0.00 0.01 0.00 0.00 42.46 40.48 2fjr s ILE 88 CO -0.04 0.56 1.49 -0.62 0.00 0.00 0.00 174.94 176.34 2fjr n GLU 89 N 2.98 2.31 -4.21 2.79 -0.58 -1.26 -1.00 120.64 121.67 2fjr n GLU 89 Ca -0.17 0.82 -0.27 0.00 -0.42 0.00 0.00 57.16 57.12 2fjr n GLU 89 Cb 0.52 -2.53 -0.08 0.00 -0.57 0.00 0.00 31.44 28.78 2fjr n GLU 89 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2fjr s GLY 90 N 0.39 1.75 0.20 0.62 0.00 -1.24 -0.58 107.32 108.46 2fjr s GLY 90 Ca 0.67 -1.34 -0.10 0.00 0.00 0.00 0.00 44.72 43.94 2fjr s GLY 90 CO 0.49 -1.35 0.34 -1.36 0.00 0.00 0.00 173.10 171.22 2fjr s PHE 91 N -1.63 0.44 -0.01 1.90 0.40 0.48 -0.17 117.98 119.39 2fjr s PHE 91 Ca 0.26 -0.78 0.06 0.00 -0.60 0.00 0.00 56.93 55.87 2fjr s PHE 91 Cb -0.10 -0.01 -0.02 0.00 0.51 0.00 0.00 43.02 43.41 2fjr s PHE 91 CO 0.18 -0.81 -0.21 0.99 0.70 0.00 0.00 175.22 176.07 2fjr s THR 92 N -4.00 1.63 -0.19 0.64 2.01 -0.17 -0.48 115.64 115.08 2fjr s THR 92 Ca 0.21 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.29 2fjr s THR 92 Cb 0.02 -1.36 0.03 0.00 0.01 0.00 0.00 72.50 71.20 2fjr s THR 92 CO 0.04 0.42 -0.17 -0.22 -0.69 0.00 0.00 174.62 174.00 2fjr s LEU 93 N -0.59 2.26 -0.16 4.42 2.96 -0.01 -0.86 118.68 126.69 2fjr s LEU 93 Ca 0.08 -0.75 -0.13 0.00 -0.22 0.00 0.00 54.13 53.11 2fjr s LEU 93 Cb -0.08 -1.42 0.05 0.00 0.50 0.00 0.00 46.19 45.24 2fjr s LEU 93 CO -0.00 -0.05 0.42 -0.55 -1.32 0.00 0.00 176.35 174.85 2fjr s SER 94 N 1.30 -0.47 -1.47 3.68 0.15 -0.53 -4.49 113.70 111.87 2fjr s SER 94 Ca 0.02 0.88 -0.08 0.00 0.70 0.00 0.00 55.95 57.48 2fjr s SER 94 Cb -0.14 0.85 0.03 0.00 -1.71 0.00 0.00 66.02 65.04 2fjr s SER 94 CO -0.11 -0.16 0.73 -0.62 1.20 0.00 0.00 173.24 174.28 2fjr n GLU 95 N 3.32 -5.23 -1.51 5.44 1.02 -1.26 -1.19 120.64 121.23 2fjr n GLU 95 Ca -0.17 0.77 -0.18 0.00 -0.02 0.00 0.00 57.16 57.57 2fjr n GLU 95 Cb 0.56 -5.64 -0.08 0.00 -0.02 0.00 0.00 31.44 26.26 2fjr n GLU 95 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2fjr n GLU 96 N -4.23 -1.36 -4.88 3.49 1.02 -1.26 -4.96 120.64 108.45 2fjr n GLU 96 Ca -0.05 1.12 -0.33 0.00 -0.02 0.00 0.00 57.16 57.88 2fjr n GLU 96 Cb 0.58 -5.43 -0.15 0.00 -0.02 0.00 0.00 31.44 26.42 2fjr n GLU 96 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2fjr s ILE 97 N -2.58 2.60 -0.23 -3.67 1.01 -0.33 -1.47 121.20 116.53 2fjr s ILE 97 Ca 0.00 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 59.76 2fjr s ILE 97 Cb 0.00 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 2fjr s ILE 97 CO 0.00 0.54 0.07 -0.22 0.00 0.00 0.00 174.94 175.33 2fjr s LEU 98 N 0.45 3.59 -0.01 2.97 2.96 -1.26 -1.45 118.68 125.93 2fjr s LEU 98 Ca -0.13 -0.10 0.07 0.00 -0.22 0.00 0.00 54.13 53.76 2fjr s LEU 98 Cb -0.17 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 2fjr s LEU 98 CO 0.06 0.04 -0.23 -0.54 -1.32 0.00 0.00 176.35 174.35 2fjr s LYS 99 N 1.20 1.87 0.56 1.98 1.02 -0.04 -4.97 119.74 121.36 2fjr s LYS 99 Ca 0.05 -0.85 -0.21 0.00 0.02 0.00 0.00 55.97 54.98 2fjr s LYS 99 Cb -0.14 -1.83 -0.04 0.00 -0.52 0.00 0.00 37.83 35.29 2fjr s LYS 99 CO 0.04 0.50 1.31 -1.12 -0.92 0.00 0.00 175.35 175.15 2fjr s SER 100 N -0.60 5.24 0.00 2.83 0.01 -1.26 -1.00 113.70 118.92 2fjr s SER 100 Ca 0.09 2.64 0.00 0.00 1.31 0.00 0.00 55.95 59.99 2fjr s SER 100 Cb -0.09 -2.62 -0.00 0.00 0.21 0.00 0.00 66.02 63.52 2fjr s SER 100 CO -0.01 -1.58 0.00 -0.67 0.41 0.00 0.00 173.24 171.40 2fjr n ASP 101 N -1.19 -0.00 -4.81 2.44 4.64 0.75 -4.73 116.55 113.65 2fjr n ASP 101 Ca 0.11 -1.00 -0.33 0.00 -1.38 0.00 0.00 54.79 52.19 2fjr n ASP 101 Cb 0.46 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.53 2fjr n ASP 101 CO 0.00 0.00 0.00 -1.59 -0.82 0.00 0.00 177.20 174.79 2fjr s LYS 102 N -2.00 3.64 0.80 -0.67 -2.85 -1.26 -4.28 119.74 113.12 2fjr s LYS 102 Ca 0.00 1.21 -0.11 0.00 -1.00 0.00 0.00 55.97 56.08 2fjr s LYS 102 Cb 0.00 -2.08 0.08 0.00 -2.06 0.00 0.00 37.83 33.77 2fjr s LYS 102 CO 0.00 -0.55 1.10 1.14 0.10 0.00 0.00 175.35 177.14 2fjr s GLN 103 N -3.74 1.99 -0.08 1.78 -2.07 -1.26 -3.66 119.66 112.62 2fjr s GLN 103 Ca 0.64 1.16 0.05 0.00 -1.82 0.00 0.00 55.36 55.39 2fjr s GLN 103 Cb -0.15 -1.87 -0.01 0.00 -1.09 0.00 0.00 33.01 29.90 2fjr s GLN 103 CO 0.29 -1.83 -0.23 -1.17 -1.32 0.00 0.00 175.29 171.03 2fjr s LEU 104 N -6.04 2.19 -0.16 2.60 2.96 -0.17 -4.84 118.68 115.22 2fjr s LEU 104 Ca 0.62 -0.48 -0.18 0.00 -0.22 0.00 0.00 54.13 53.86 2fjr s LEU 104 Cb -0.18 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 2fjr s LEU 104 CO 0.56 0.22 0.49 -0.44 -1.32 0.00 0.00 176.35 175.87 2fjr s SER 105 N -0.01 6.61 0.03 3.68 0.01 -1.26 -0.70 113.70 122.06 2fjr s SER 105 Ca -0.08 0.73 -0.03 0.00 1.31 0.00 0.00 55.95 57.88 2fjr s SER 105 Cb -0.15 -2.29 -0.02 0.00 0.21 0.00 0.00 66.02 63.78 2fjr s SER 105 CO 0.05 -0.10 0.04 0.54 0.41 0.00 0.00 173.24 174.19 2fjr s VAL 106 N 1.17 0.14 0.26 3.43 0.11 0.13 -4.99 120.40 120.65 2fjr s VAL 106 Ca 0.25 -1.16 -0.29 0.00 -2.93 0.00 0.00 61.98 57.84 2fjr s VAL 106 Cb -0.15 -0.82 -0.09 0.00 -1.53 0.00 0.00 36.38 33.79 2fjr s VAL 106 CO 0.10 -0.64 0.97 -0.62 -3.33 0.00 0.00 175.10 171.58 2fjr s ASP 107 N -2.06 7.54 0.50 3.54 2.15 -1.26 -3.66 116.67 123.42 2fjr s ASP 107 Ca -0.06 2.00 0.34 0.00 0.43 0.00 0.00 52.55 55.25 2fjr s ASP 107 Cb -0.02 -2.61 1.76 0.00 -0.30 0.00 0.00 42.92 41.75 2fjr s ASP 107 CO -0.04 0.07 2.03 0.00 -0.17 0.00 0.00 175.17 177.06 2fjr h ALA 108 N 3.96 1.00 0.00 3.66 0.00 -1.90 -0.14 119.26 125.84 2fjr h ALA 108 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2fjr h ALA 108 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2fjr h ALA 108 CO 0.67 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.96 2fjr n GLN 109 N -2.72 0.17 0.23 0.00 6.02 -1.26 -2.21 117.38 117.61 2fjr n GLN 109 Ca -0.02 0.46 0.10 0.00 -0.01 0.00 0.00 57.00 57.53 2fjr n GLN 109 Cb 0.09 -1.86 0.57 0.00 1.02 0.00 0.00 30.24 30.06 2fjr n GLN 109 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 2fjr h PHE 110 N 0.00 0.00 -3.21 1.08 0.04 -1.39 -3.42 116.94 110.03 2fjr h PHE 110 Ca 0.00 0.00 -0.67 0.00 2.80 0.00 0.00 57.97 60.10 2fjr h PHE 110 Cb 0.27 0.00 -0.34 0.00 2.20 0.00 0.00 35.95 38.08 2fjr h PHE 110 CO 0.00 0.21 -0.87 -0.06 -0.60 0.00 0.00 178.31 176.99 2fjr s PHE 111 N -3.99 2.62 0.22 -0.55 0.40 -0.94 -4.98 117.98 110.76 2fjr s PHE 111 Ca -0.02 -1.31 -0.04 0.00 -0.60 0.00 0.00 56.93 54.96 2fjr s PHE 111 Cb 0.12 -1.79 0.20 0.00 0.51 0.00 0.00 43.02 42.07 2fjr s PHE 111 CO 0.63 -0.60 1.64 1.15 0.70 0.00 0.00 175.22 178.74 2fjr h THR 112 N 5.83 1.27 -3.03 0.64 2.02 -1.84 -3.41 112.91 114.38 2fjr h THR 112 Ca -0.32 -1.30 -0.67 0.00 0.77 0.00 0.00 66.41 64.89 2fjr h THR 112 Cb 1.19 1.17 -0.11 0.00 -1.74 0.00 0.00 68.15 68.66 2fjr h THR 112 CO 0.55 0.44 -0.56 -0.54 0.37 0.00 0.00 175.52 175.77 2fjr s LYS 113 N -4.65 3.17 0.47 6.66 1.02 -1.26 -5.07 119.74 120.08 2fjr s LYS 113 Ca -0.09 -0.31 -0.22 0.00 0.02 0.00 0.00 55.97 55.36 2fjr s LYS 113 Cb 0.13 -2.95 -0.10 0.00 -0.52 0.00 0.00 37.83 34.39 2fjr s LYS 113 CO 0.83 0.72 0.88 -2.30 -0.92 0.00 0.00 175.35 174.57 2fjr n PRO 114 N 1.94 1.06 -3.87 -1.68 -0.02 -1.26 -4.97 135.00 126.21 2fjr n PRO 114 Ca -0.18 0.39 -0.29 0.00 -2.02 0.00 0.00 63.50 61.40 2fjr n PRO 114 Cb 0.54 -1.95 -0.13 0.00 -0.02 0.00 0.00 33.50 31.95 2fjr n PRO 114 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2fjr s LEU 115 N -0.31 4.21 0.07 2.45 0.20 -1.24 -4.94 118.68 119.12 2fjr s LEU 115 Ca 0.66 -3.40 0.09 0.00 0.69 0.00 0.00 54.13 52.18 2fjr s LEU 115 Cb -0.53 -1.50 -0.21 0.00 -0.43 0.00 0.00 46.19 43.52 2fjr s LEU 115 CO 0.55 -0.16 1.06 0.71 -0.29 0.00 0.00 176.35 178.22 2fjr h THR 116 N 4.87 1.39 -2.57 3.68 1.35 -1.92 -3.35 112.91 116.36 2fjr h THR 116 Ca 0.06 -3.14 -0.60 0.00 -0.55 0.00 0.00 66.41 62.18 2fjr h THR 116 Cb 0.83 2.68 -0.41 0.00 -1.73 0.00 0.00 68.15 69.52 2fjr h THR 116 CO 0.66 0.79 -0.72 -0.67 -0.25 0.00 0.00 175.52 175.33 2fjr n ASP 117 N -3.24 2.21 -4.86 5.36 2.03 -1.26 -5.08 116.55 111.71 2fjr n ASP 117 Ca -0.06 -3.05 -0.21 0.00 0.52 0.00 0.00 54.79 51.99 2fjr n ASP 117 Cb 0.97 -0.68 -0.04 0.00 -0.72 0.00 0.00 41.12 40.66 2fjr n ASP 117 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2fjr s GLY 118 N -1.42 2.09 0.01 0.27 0.00 -1.26 -1.38 107.32 105.63 2fjr s GLY 118 Ca 0.32 -1.87 0.01 0.00 0.00 0.00 0.00 44.72 43.18 2fjr s GLY 118 CO -0.13 -1.70 -0.03 1.06 0.00 0.00 0.00 173.10 172.31 2fjr s MET 119 N -4.08 0.21 -0.30 2.90 -1.94 -0.56 -4.19 119.30 111.35 2fjr s MET 119 Ca 0.46 -0.27 0.01 0.00 -1.71 0.00 0.00 55.69 54.18 2fjr s MET 119 Cb -0.03 -0.09 0.07 0.00 2.01 0.00 0.00 34.83 36.79 2fjr s MET 119 CO 0.27 0.02 -0.02 0.00 -0.01 0.00 0.00 175.02 175.28 2fjr s ALA 120 N -0.52 2.76 -0.23 3.03 0.00 0.26 -0.71 121.76 126.34 2fjr s ALA 120 Ca -0.05 -1.95 -0.04 0.00 0.00 0.00 0.00 51.96 49.92 2fjr s ALA 120 Cb -0.04 -1.85 -0.01 0.00 0.00 0.00 0.00 23.12 21.22 2fjr s ALA 120 CO -0.00 -1.35 -0.02 0.42 0.00 0.00 0.00 175.76 174.80 2fjr s ILE 121 N 1.13 3.51 -0.23 0.00 1.01 0.24 -0.39 121.20 126.48 2fjr s ILE 121 Ca -0.03 -0.48 -0.24 0.00 0.00 0.00 0.00 60.65 59.90 2fjr s ILE 121 Cb -0.20 -2.62 -0.01 0.00 0.01 0.00 0.00 42.46 39.64 2fjr s ILE 121 CO -0.04 0.39 0.82 -0.13 0.00 0.00 0.00 174.94 175.97 2fjr s ARG 122 N 1.49 4.20 -0.15 2.79 0.52 0.37 -0.07 118.95 128.10 2fjr s ARG 122 Ca 0.06 0.93 -0.07 0.00 -0.52 0.00 0.00 55.73 56.13 2fjr s ARG 122 Cb -0.15 -3.63 0.06 0.00 0.52 0.00 0.00 34.95 31.75 2fjr s ARG 122 CO -0.02 -0.47 0.34 0.45 0.02 0.00 0.00 175.30 175.62 2fjr s SER 123 N 1.30 -0.28 -1.45 0.23 0.15 -0.10 -0.83 113.70 112.73 2fjr s SER 123 Ca 0.35 0.74 -0.05 0.00 0.70 0.00 0.00 55.95 57.69 2fjr s SER 123 Cb -0.16 0.72 0.04 0.00 -1.71 0.00 0.00 66.02 64.91 2fjr s SER 123 CO 0.08 -0.20 0.65 -0.62 1.20 0.00 0.00 173.24 174.36 2fjr n GLU 124 N 4.55 -4.13 -1.17 5.44 1.02 -1.26 -1.28 120.64 123.81 2fjr n GLU 124 Ca -0.20 0.49 -0.06 0.00 -0.02 0.00 0.00 57.16 57.38 2fjr n GLU 124 Cb 0.53 -4.97 -0.03 0.00 -0.02 0.00 0.00 31.44 26.96 2fjr n GLU 124 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2fjr n GLY 125 N -1.74 0.77 3.36 0.62 0.00 -1.26 -5.00 105.19 101.94 2fjr n GLY 125 Ca -0.18 -0.29 -0.18 0.00 0.00 0.00 0.00 46.02 45.37 2fjr n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fjr s LYS 126 N -2.06 1.40 -0.20 1.61 1.02 -0.40 -4.32 119.74 116.79 2fjr s LYS 126 Ca 0.00 -1.70 0.01 0.00 0.02 0.00 0.00 55.97 54.30 2fjr s LYS 126 Cb 0.00 -0.79 0.03 0.00 -0.52 0.00 0.00 37.83 36.56 2fjr s LYS 126 CO 0.00 -0.05 -0.15 0.42 -0.92 0.00 0.00 175.35 174.65 2fjr s ILE 127 N -3.29 1.93 -0.20 2.17 1.01 0.49 -0.92 121.20 122.40 2fjr s ILE 127 Ca 0.28 -1.08 -0.11 0.00 0.00 0.00 0.00 60.65 59.74 2fjr s ILE 127 Cb 0.05 -1.88 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 2fjr s ILE 127 CO 0.09 0.32 0.18 -0.31 0.00 0.00 0.00 174.94 175.23 2fjr s TYR 128 N 1.29 3.40 -0.29 3.97 1.51 0.89 -0.40 117.35 127.73 2fjr s TYR 128 Ca 0.00 0.37 -0.12 0.00 -1.01 0.00 0.00 57.07 56.31 2fjr s TYR 128 Cb -0.15 -2.24 -0.04 0.00 -0.11 0.00 0.00 41.96 39.41 2fjr s TYR 128 CO -0.10 0.21 0.25 -0.06 -1.11 0.00 0.00 175.55 174.74 2fjr s PHE 129 N 0.60 3.23 -0.09 2.71 0.40 0.46 -0.59 117.98 124.70 2fjr s PHE 129 Ca 0.10 0.14 0.02 0.00 -0.60 0.00 0.00 56.93 56.60 2fjr s PHE 129 Cb -0.12 -2.45 -0.02 0.00 0.51 0.00 0.00 43.02 40.94 2fjr s PHE 129 CO 0.01 -0.21 -0.15 0.08 0.70 0.00 0.00 175.22 175.66 2fjr s VAL 130 N 1.84 2.98 -0.47 -0.44 1.01 0.11 -0.15 120.40 125.28 2fjr s VAL 130 Ca 0.09 -0.72 -0.15 0.00 0.00 0.00 0.00 61.98 61.20 2fjr s VAL 130 Cb -0.16 -2.20 0.08 0.00 0.00 0.00 0.00 36.38 34.10 2fjr s VAL 130 CO 0.11 0.56 0.38 -0.62 0.00 0.00 0.00 175.10 175.53 2fjr s ASP 131 N -0.22 6.08 0.60 3.32 2.15 0.36 -1.50 116.67 127.47 2fjr s ASP 131 Ca 0.00 -1.39 0.37 0.00 0.43 0.00 0.00 52.55 51.96 2fjr s ASP 131 Cb -0.13 -2.16 1.91 0.00 -0.30 0.00 0.00 42.92 42.24 2fjr s ASP 131 CO 0.03 -0.65 2.21 0.11 -0.17 0.00 0.00 175.17 176.70 2fjr h LYS 132 N 8.71 0.00 -0.09 4.34 1.57 -1.43 -1.02 116.57 128.65 2fjr h LYS 132 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2fjr h LYS 132 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2fjr h LYS 132 CO 0.87 0.03 0.00 1.04 -0.57 0.00 0.00 179.45 180.82 2fjr n GLN 133 N -3.31 2.12 -1.65 3.15 1.13 -1.26 -4.59 117.38 112.97 2fjr n GLN 133 Ca -0.02 -1.64 -0.43 0.00 -1.94 0.00 0.00 57.00 52.96 2fjr n GLN 133 Cb 0.16 -1.47 -0.01 0.00 0.11 0.00 0.00 30.24 29.03 2fjr n GLN 133 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2fjr n ALA 134 N 0.96 0.61 -1.79 -1.58 0.00 -1.08 -4.95 120.51 112.67 2fjr n ALA 134 Ca 0.16 0.38 -0.35 0.00 0.00 0.00 0.00 53.44 53.63 2fjr n ALA 134 Cb 0.51 -2.15 -0.02 0.00 0.00 0.00 0.00 19.45 17.79 2fjr n ALA 134 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2fjr s SER 135 N -0.40 6.17 0.14 0.00 1.04 -1.26 -4.87 113.70 114.53 2fjr s SER 135 Ca 0.57 2.04 -0.31 0.00 0.48 0.00 0.00 55.95 58.73 2fjr s SER 135 Cb -0.63 -2.57 -0.10 0.00 0.10 0.00 0.00 66.02 62.82 2fjr s SER 135 CO 0.61 -0.90 1.58 -0.22 0.98 0.00 0.00 173.24 175.29 2fjr s LEU 136 N -3.49 4.37 0.04 2.42 2.96 -1.26 -4.95 118.68 118.77 2fjr s LEU 136 Ca 0.68 2.58 -0.27 0.00 -0.22 0.00 0.00 54.13 56.90 2fjr s LEU 136 Cb -0.20 -3.59 0.09 0.00 0.50 0.00 0.00 46.19 43.00 2fjr s LEU 136 CO 0.23 -0.83 0.86 -0.94 -1.32 0.00 0.00 176.35 174.35 2fjr s SER 137 N 1.43 -0.36 0.48 3.68 1.04 -1.26 -5.11 113.70 113.60 2fjr s SER 137 Ca 0.71 -0.07 -0.23 0.00 0.48 0.00 0.00 55.95 56.84 2fjr s SER 137 Cb -0.43 0.43 -0.08 0.00 0.10 0.00 0.00 66.02 66.05 2fjr s SER 137 CO 0.31 -0.72 1.16 0.47 0.98 0.00 0.00 173.24 175.45 2fjr n ASP 138 N -0.30 1.91 0.00 7.02 8.00 -1.26 -4.87 116.55 127.04 2fjr n ASP 138 Ca -0.09 1.00 0.00 0.00 0.71 0.00 0.00 54.79 56.41 2fjr n ASP 138 Cb 0.62 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 2fjr n ASP 138 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2fjr n GLY 139 N 0.99 -0.74 3.67 0.44 0.00 -0.73 -4.99 105.19 103.82 2fjr n GLY 139 Ca 0.09 -1.44 -0.38 0.00 0.00 0.00 0.00 46.02 44.30 2fjr n GLY 139 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2fjr s LEU 140 N 0.00 4.16 0.10 0.99 0.20 -1.26 -0.45 118.68 122.41 2fjr s LEU 140 Ca 0.00 0.55 0.07 0.00 0.69 0.00 0.00 54.13 55.44 2fjr s LEU 140 Cb 0.00 -2.56 -0.03 0.00 -0.43 0.00 0.00 46.19 43.17 2fjr s LEU 140 CO 0.00 -0.10 -0.17 0.26 -0.29 0.00 0.00 176.35 176.06 2fjr s TRP 141 N 1.36 1.50 -0.17 5.38 0.52 0.22 -0.45 118.94 127.29 2fjr s TRP 141 Ca 0.20 -0.46 -0.21 0.00 0.02 0.00 0.00 56.10 55.65 2fjr s TRP 141 Cb -0.15 -0.82 -0.03 0.00 -1.15 0.00 0.00 33.47 31.33 2fjr s TRP 141 CO 0.08 0.15 0.65 -1.17 0.02 0.00 0.00 176.95 176.68 2fjr s LEU 142 N -1.98 4.18 0.16 2.99 2.96 -0.04 -0.55 118.68 126.39 2fjr s LEU 142 Ca 0.04 0.91 0.03 0.00 -0.22 0.00 0.00 54.13 54.89 2fjr s LEU 142 Cb -0.09 -2.93 -0.05 0.00 0.50 0.00 0.00 46.19 43.62 2fjr s LEU 142 CO 0.03 -0.25 -0.05 0.68 -1.32 0.00 0.00 176.35 175.45 2fjr s VAL 143 N 1.72 0.87 -0.20 1.68 -7.23 -0.21 -0.38 120.40 116.65 2fjr s VAL 143 Ca 0.30 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.48 2fjr s VAL 143 Cb -0.16 -1.97 0.04 0.00 0.56 0.00 0.00 36.38 34.85 2fjr s VAL 143 CO 0.11 -0.63 -0.13 -0.62 -0.31 0.00 0.00 175.10 173.53 2fjr s ASP 144 N -3.16 3.43 -0.39 4.85 -1.08 0.58 -1.78 116.67 119.13 2fjr s ASP 144 Ca 0.20 -0.88 -0.03 0.00 -0.52 0.00 0.00 52.55 51.31 2fjr s ASP 144 Cb 0.05 -1.32 0.09 0.00 -1.46 0.00 0.00 42.92 40.28 2fjr s ASP 144 CO 0.01 -0.12 0.17 -0.63 0.52 0.00 0.00 175.17 175.13 2fjr s ILE 145 N 1.34 3.34 -1.69 4.11 1.01 0.47 -1.37 121.20 128.40 2fjr s ILE 145 Ca -0.01 -1.84 0.00 0.00 0.00 0.00 0.00 60.65 58.80 2fjr s ILE 145 Cb -0.16 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.13 2fjr s ILE 145 CO -0.09 -0.55 0.00 0.29 0.00 0.00 0.00 174.94 174.59 2fjr n LYS 146 N 4.64 -1.72 0.00 2.79 5.02 -1.26 -1.72 118.16 125.91 2fjr n LYS 146 Ca -0.05 0.95 0.00 0.00 -2.02 0.00 0.00 58.31 57.19 2fjr n LYS 146 Cb 0.42 -5.52 0.00 0.00 -0.02 0.00 0.00 35.03 29.91 2fjr n LYS 146 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2fjr n GLY 147 N -0.79 2.54 3.75 0.72 0.00 -1.26 -5.07 105.19 105.07 2fjr n GLY 147 Ca -0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 2fjr n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fjr s ALA 148 N -2.42 3.39 -0.14 4.61 0.00 -0.70 -4.98 121.76 121.52 2fjr s ALA 148 Ca 0.00 0.23 -0.06 0.00 0.00 0.00 0.00 51.96 52.14 2fjr s ALA 148 Cb 0.00 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 2fjr s ALA 148 CO 0.00 0.08 0.06 0.42 0.00 0.00 0.00 175.76 176.32 2fjr s ILE 149 N -0.06 4.81 0.31 0.00 1.01 -0.54 -0.40 121.20 126.34 2fjr s ILE 149 Ca 0.37 -0.04 -0.12 0.00 0.00 0.00 0.00 60.65 60.86 2fjr s ILE 149 Cb -0.20 -3.11 0.02 0.00 0.01 0.00 0.00 42.46 39.18 2fjr s ILE 149 CO 0.22 0.55 0.59 -0.94 0.00 0.00 0.00 174.94 175.35 2fjr s SER 150 N -0.38 0.19 -0.19 3.58 1.04 -0.73 -4.26 113.70 112.94 2fjr s SER 150 Ca 0.09 -1.10 -0.02 0.00 0.48 0.00 0.00 55.95 55.41 2fjr s SER 150 Cb -0.12 0.69 -0.00 0.00 0.10 0.00 0.00 66.02 66.69 2fjr s SER 150 CO 0.02 -1.35 -0.10 -0.63 0.98 0.00 0.00 173.24 172.15 2fjr s ILE 151 N -3.31 2.94 0.05 -1.02 1.01 -1.26 -1.05 121.20 118.56 2fjr s ILE 151 Ca 0.21 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 60.23 2fjr s ILE 151 Cb -0.02 -2.30 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 2fjr s ILE 151 CO 0.12 0.47 -0.06 -0.13 0.00 0.00 0.00 174.94 175.35 2fjr s ARG 152 N 1.23 0.53 -0.12 2.79 1.81 0.28 -4.83 118.95 120.64 2fjr s ARG 152 Ca 0.03 -0.85 -0.27 0.00 -1.72 0.00 0.00 55.73 52.91 2fjr s ARG 152 Cb -0.14 -0.13 -0.02 0.00 -0.45 0.00 0.00 34.95 34.21 2fjr s ARG 152 CO -0.04 -0.00 0.91 -2.00 -0.68 0.00 0.00 175.30 173.49 2fjr s GLU 153 N -2.12 4.38 -0.02 3.54 2.56 0.74 -0.61 118.70 127.17 2fjr s GLU 153 Ca -0.06 1.21 0.02 0.00 0.00 0.00 0.00 54.97 56.14 2fjr s GLU 153 Cb -0.06 -3.54 -0.03 0.00 2.00 0.00 0.00 34.13 32.49 2fjr s GLU 153 CO -0.02 -0.28 -0.06 -0.51 -0.56 0.00 0.00 175.26 173.83 2fjr s LEU 154 N 1.94 3.20 -0.08 2.70 1.43 0.40 -1.07 118.68 127.19 2fjr s LEU 154 Ca 0.44 -0.10 -0.00 0.00 -1.03 0.00 0.00 54.13 53.44 2fjr s LEU 154 Cb -0.18 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.27 2fjr s LEU 154 CO 0.16 0.31 -0.06 -0.89 0.23 0.00 0.00 176.35 176.10 2fjr s THR 155 N -0.95 0.77 0.23 5.49 2.01 -0.37 -1.77 115.64 121.05 2fjr s THR 155 Ca 0.16 -0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.69 2fjr s THR 155 Cb -0.11 -0.81 -0.09 0.00 0.01 0.00 0.00 72.50 71.49 2fjr s THR 155 CO 0.06 0.31 1.27 -0.54 -0.69 0.00 0.00 174.62 175.03 2fjr s LYS 156 N 1.48 4.42 0.20 4.92 1.02 -1.26 -0.42 119.74 130.10 2fjr s LYS 156 Ca -0.01 2.03 0.11 0.00 0.02 0.00 0.00 55.97 58.13 2fjr s LYS 156 Cb -0.13 -3.18 -0.04 0.00 -0.52 0.00 0.00 37.83 33.95 2fjr s LYS 156 CO -0.04 -0.17 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.47 2fjr s LEU 157 N -0.55 2.44 0.63 3.17 1.43 0.15 -4.90 118.68 121.06 2fjr s LEU 157 Ca 0.54 -0.87 -0.18 0.00 -1.03 0.00 0.00 54.13 52.58 2fjr s LEU 157 Cb -0.36 -1.16 -0.03 0.00 0.03 0.00 0.00 46.19 44.67 2fjr s LEU 157 CO 0.41 0.12 1.03 -2.65 0.23 0.00 0.00 176.35 175.49 2fjr n PRO 158 N 0.23 0.88 -1.04 1.29 -0.02 -1.26 -2.34 135.00 132.74 2fjr n PRO 158 Ca -0.12 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2fjr n PRO 158 Cb 0.56 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 2fjr n PRO 158 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fjr n GLY 159 N 1.20 0.53 3.35 -1.23 0.00 -1.26 -3.99 105.19 103.79 2fjr n GLY 159 Ca 0.14 -0.87 -0.18 0.00 0.00 0.00 0.00 46.02 45.12 2fjr n GLY 159 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fjr n ARG 160 N -2.37 -6.59 -4.62 1.61 1.74 -1.20 -4.94 116.66 100.30 2fjr n ARG 160 Ca 0.00 0.80 -0.28 0.00 -0.77 0.00 0.00 57.85 57.60 2fjr n ARG 160 Cb 0.10 -5.70 -0.10 0.00 -1.02 0.00 0.00 32.46 25.74 2fjr n ARG 160 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2fjr s LYS 161 N -5.51 1.96 0.01 5.56 1.02 -0.99 -1.80 119.74 120.00 2fjr s LYS 161 Ca 0.13 -2.13 0.01 0.00 0.02 0.00 0.00 55.97 53.99 2fjr s LYS 161 Cb -0.06 -1.53 -0.01 0.00 -0.52 0.00 0.00 37.83 35.72 2fjr s LYS 161 CO 0.69 -0.12 -0.04 -0.51 -0.92 0.00 0.00 175.35 174.46 2fjr s LEU 162 N -3.71 2.13 -0.20 3.17 1.43 0.33 -0.67 118.68 121.15 2fjr s LEU 162 Ca 0.31 -0.28 -0.08 0.00 -1.03 0.00 0.00 54.13 53.05 2fjr s LEU 162 Cb 0.09 -0.06 -0.04 0.00 0.03 0.00 0.00 46.19 46.20 2fjr s LEU 162 CO 0.16 -0.12 0.08 -2.28 0.23 0.00 0.00 176.35 174.42 2fjr s HIS 163 N -0.75 3.23 -0.23 0.29 5.65 0.44 -1.87 115.29 122.05 2fjr s HIS 163 Ca -0.06 0.01 -0.02 0.00 0.25 0.00 0.00 55.06 55.24 2fjr s HIS 163 Cb -0.05 -2.13 0.02 0.00 -1.18 0.00 0.00 32.58 29.23 2fjr s HIS 163 CO -0.00 0.05 -0.08 0.08 -0.65 0.00 0.00 174.74 174.14 2fjr s VAL 164 N 0.68 2.88 0.19 0.89 1.01 0.58 -1.23 120.40 125.40 2fjr s VAL 164 Ca 0.04 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.24 2fjr s VAL 164 Cb -0.13 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 2fjr s VAL 164 CO 0.02 0.32 -0.16 0.00 0.00 0.00 0.00 175.10 175.28 2fjr s ALA 165 N 1.36 2.02 0.00 5.51 0.00 -0.23 -1.37 121.76 129.06 2fjr s ALA 165 Ca 0.03 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.39 2fjr s ALA 165 Cb -0.15 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.84 2fjr s ALA 165 CO -0.06 0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.25 2fjr n GLY 166 N -0.12 0.74 0.00 0.00 0.00 -1.26 -0.18 105.19 104.36 2fjr n GLY 166 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2fjr n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fjr n GLY 167 N 0.00 -0.59 0.32 -0.02 0.00 -1.26 -4.95 105.19 98.69 2fjr n GLY 167 Ca 0.00 -1.71 0.01 0.00 0.00 0.00 0.00 46.02 44.32 2fjr n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fjr h LYS 168 N 0.00 0.93 -4.49 1.61 1.57 -2.00 -3.43 116.57 110.76 2fjr h LYS 168 Ca 0.00 -0.06 -0.22 0.00 -1.87 0.00 0.00 60.65 58.50 2fjr h LYS 168 Cb 0.00 -0.21 -0.18 0.00 0.08 0.00 0.00 32.23 31.92 2fjr h LYS 168 CO 0.00 0.62 -0.71 0.14 -0.57 0.00 0.00 179.45 178.93 2fjr s VAL 169 N -6.07 0.51 0.57 0.50 -7.23 -1.26 -5.17 120.40 102.25 2fjr s VAL 169 Ca -0.13 -1.51 -0.02 0.00 -1.81 0.00 0.00 61.98 58.52 2fjr s VAL 169 Cb 0.18 -1.13 0.03 0.00 0.56 0.00 0.00 36.38 36.02 2fjr s VAL 169 CO 0.79 -0.68 0.83 -2.16 -0.31 0.00 0.00 175.10 173.57 2fjr s PRO 170 N -2.80 2.66 0.28 4.82 0.04 -1.26 -4.77 135.00 133.98 2fjr s PRO 170 Ca 0.00 -0.45 -0.12 0.00 0.04 0.00 0.00 61.00 60.48 2fjr s PRO 170 Cb -0.01 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.14 2fjr s PRO 170 CO -0.03 -0.72 0.52 -0.59 0.04 0.00 0.00 177.00 176.21 2fjr s PHE 171 N -2.86 0.43 0.08 0.56 -0.12 -0.47 -4.99 117.98 110.61 2fjr s PHE 171 Ca 0.55 -0.81 0.06 0.00 -0.05 0.00 0.00 56.93 56.68 2fjr s PHE 171 Cb -0.10 0.22 -0.03 0.00 -0.63 0.00 0.00 43.02 42.48 2fjr s PHE 171 CO 0.41 -1.08 -0.16 -1.21 -0.05 0.00 0.00 175.22 173.13 2fjr s GLU 172 N -3.70 0.89 0.36 1.99 2.02 -1.26 -0.30 118.70 118.70 2fjr s GLU 172 Ca 0.23 -0.99 -0.17 0.00 0.02 0.00 0.00 54.97 54.06 2fjr s GLU 172 Cb -0.01 -0.96 0.05 0.00 0.10 0.00 0.00 34.13 33.31 2fjr s GLU 172 CO 0.11 0.22 0.80 0.00 0.02 0.00 0.00 175.26 176.41 2fjr s GLY 174 N -3.07 1.67 0.03 0.00 0.00 -1.26 -0.51 107.32 104.16 2fjr s GLY 174 Ca 0.15 -0.97 0.13 0.00 0.00 0.00 0.00 44.72 44.03 2fjr s GLY 174 CO 0.11 -0.69 1.41 0.29 0.00 0.00 0.00 173.10 174.22 2fjr n ILE 175 N -2.49 1.15 0.94 0.90 -5.35 -0.75 -1.45 119.36 112.32 2fjr n ILE 175 Ca 0.05 0.30 0.12 0.00 -0.27 0.00 0.00 62.75 62.95 2fjr n ILE 175 Cb 0.59 -1.11 0.23 0.00 -1.74 0.00 0.00 39.64 37.61 2fjr n ILE 175 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2fjr n ASP 176 N -1.57 2.74 0.02 7.28 5.75 -1.26 -4.39 116.55 125.12 2fjr n ASP 176 Ca 0.03 -1.89 0.11 0.00 -0.01 0.00 0.00 54.79 53.03 2fjr n ASP 176 Cb 0.14 -0.07 0.04 0.00 -1.03 0.00 0.00 41.12 40.21 2fjr n ASP 176 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2fjr n ASP 177 N 1.09 0.63 -4.07 -1.12 8.00 -0.53 -4.95 116.55 115.61 2fjr n ASP 177 Ca 0.16 -0.26 -0.08 0.00 0.71 0.00 0.00 54.79 55.32 2fjr n ASP 177 Cb 0.54 0.72 -0.09 0.00 -0.02 0.00 0.00 41.12 42.27 2fjr n ASP 177 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2fjr s ILE 178 N -3.16 0.16 -0.17 0.53 -4.36 -1.26 -4.71 121.20 108.23 2fjr s ILE 178 Ca 0.05 -1.72 -0.04 0.00 -0.26 0.00 0.00 60.65 58.67 2fjr s ILE 178 Cb 0.15 -1.67 -0.03 0.00 1.25 0.00 0.00 42.46 42.16 2fjr s ILE 178 CO 0.79 -0.75 -0.02 -0.75 0.24 0.00 0.00 174.94 174.45 2fjr s LYS 179 N -3.95 3.66 -0.20 0.37 2.20 -0.47 -4.96 119.74 116.39 2fjr s LYS 179 Ca 0.12 -0.52 -0.17 0.00 -0.36 0.00 0.00 55.97 55.05 2fjr s LYS 179 Cb 0.07 -2.98 -0.04 0.00 -1.51 0.00 0.00 37.83 33.37 2fjr s LYS 179 CO -0.06 0.16 0.45 0.95 -0.36 0.00 0.00 175.35 176.49 2fjr s THR 180 N 0.60 5.16 -0.10 3.43 -4.23 -1.26 -0.31 115.64 118.92 2fjr s THR 180 Ca -0.02 0.81 0.16 0.00 -1.18 0.00 0.00 61.69 61.46 2fjr s THR 180 Cb -0.14 -3.78 -0.20 0.00 1.34 0.00 0.00 72.50 69.72 2fjr s THR 180 CO 0.02 0.22 0.61 0.18 -0.54 0.00 0.00 174.62 175.11 2fjr n LEU 181 N 4.63 0.67 0.00 4.79 4.77 0.49 -4.98 117.00 127.38 2fjr n LEU 181 Ca -0.07 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2fjr n LEU 181 Cb 0.51 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 2fjr n LEU 181 CO 0.41 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 2fjr n GLY 182 N 1.52 2.22 3.82 -0.72 0.00 -1.13 -4.40 105.19 106.49 2fjr n GLY 182 Ca -0.17 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.73 2fjr n GLY 182 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2fjr s ARG 183 N -2.00 3.77 -0.06 1.61 3.52 -0.41 -0.86 118.95 124.52 2fjr s ARG 183 Ca 0.00 -0.15 -0.30 0.00 -0.13 0.00 0.00 55.73 55.16 2fjr s ARG 183 Cb 0.00 -3.29 -0.04 0.00 -1.56 0.00 0.00 34.95 30.06 2fjr s ARG 183 CO 0.00 0.57 1.42 0.08 -0.81 0.00 0.00 175.30 176.56 2fjr s VAL 184 N -0.44 3.86 -0.79 7.11 1.01 0.40 -0.49 120.40 131.05 2fjr s VAL 184 Ca 0.13 1.14 0.12 0.00 0.00 0.00 0.00 61.98 63.36 2fjr s VAL 184 Cb -0.12 -3.73 -0.07 0.00 0.00 0.00 0.00 36.38 32.46 2fjr s VAL 184 CO 0.02 -0.05 0.59 1.33 0.00 0.00 0.00 175.10 176.98 2fjr n VAL 185 N 5.05 0.00 -3.56 2.92 0.24 0.79 -4.69 118.33 119.09 2fjr n VAL 185 Ca 0.14 -0.29 -0.10 0.00 -2.04 0.00 0.00 64.34 62.05 2fjr n VAL 185 Cb 0.44 1.06 -0.04 0.00 -1.47 0.00 0.00 33.84 33.83 2fjr n VAL 185 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2fjr s GLY 186 N -1.84 -0.33 -0.01 7.63 0.00 -1.18 -5.01 107.32 106.58 2fjr s GLY 186 Ca 0.07 1.75 0.00 0.00 0.00 0.00 0.00 44.72 46.54 2fjr s GLY 186 CO 0.40 0.85 -0.00 0.14 0.00 0.00 0.00 173.10 174.48 2fjr s VAL 187 N -1.63 0.10 -0.04 1.40 1.01 -1.26 -0.40 120.40 119.57 2fjr s VAL 187 Ca -0.00 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.05 2fjr s VAL 187 Cb -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.22 2fjr s VAL 187 CO -0.01 0.07 -0.19 -0.47 0.00 0.00 0.00 175.10 174.50 2fjr s TYR 188 N 0.39 2.57 -0.04 5.22 5.04 0.47 -4.96 117.35 126.03 2fjr s TYR 188 Ca -0.03 -0.32 -0.03 0.00 -2.44 0.00 0.00 57.07 54.25 2fjr s TYR 188 Cb -0.06 -1.60 0.02 0.00 0.35 0.00 0.00 41.96 40.68 2fjr s TYR 188 CO -0.01 0.06 0.10 -1.54 -1.34 0.00 0.00 175.55 172.82 2fjr s SER 189 N -0.60 -0.08 0.29 4.32 1.04 -1.26 -0.38 113.70 117.04 2fjr s SER 189 Ca 0.09 0.20 -0.29 0.00 0.48 0.00 0.00 55.95 56.43 2fjr s SER 189 Cb -0.11 0.15 -0.09 0.00 0.10 0.00 0.00 66.02 66.07 2fjr s SER 189 CO 0.00 -0.08 1.02 -1.61 0.98 0.00 0.00 173.24 173.55 2fjr s GLU 190 N 0.57 4.64 -0.81 4.02 2.02 -1.26 -4.98 118.70 122.89 2fjr s GLU 190 Ca -0.04 1.61 0.02 0.00 0.02 0.00 0.00 54.97 56.58 2fjr s GLU 190 Cb -0.06 -3.09 0.30 0.00 0.10 0.00 0.00 34.13 31.38 2fjr s GLU 190 CO -0.02 0.27 1.17 1.33 0.02 0.00 0.00 175.26 178.03 2fjr n VAL 191 N 1.05 3.96 0.29 2.63 0.24 -1.26 -5.07 118.33 120.17 2fjr n VAL 191 Ca -0.00 -5.63 0.02 0.00 -2.04 0.00 0.00 64.34 56.70 2fjr n VAL 191 Cb 0.47 -1.87 0.14 0.00 -1.47 0.00 0.00 33.84 31.11 2fjr n VAL 191 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23