#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fjg s ARG 3 N 0.00 -0.23 0.01 0.54 0.52 -1.26 -5.10 118.95 113.44 1fjg s ARG 3 Ca 0.00 0.06 -0.14 0.00 -0.52 0.00 0.00 55.73 55.14 1fjg s ARG 3 Cb 0.00 -1.70 0.02 0.00 0.52 0.00 0.00 34.95 33.79 1fjg s ARG 3 CO 0.00 -3.08 0.29 0.45 0.02 0.00 0.00 175.30 172.99 1fjg s SER 4 N -3.96 -0.14 0.24 0.23 0.15 -1.26 -5.03 113.70 103.92 1fjg s SER 4 Ca 0.69 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 57.29 1fjg s SER 4 Cb -0.12 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 1fjg s SER 4 CO 0.55 -0.51 0.00 0.18 1.20 0.00 0.00 173.24 174.67 1fjg n LEU 5 N 1.00 -2.06 0.00 3.45 4.77 -1.26 -5.14 117.00 117.76 1fjg n LEU 5 Ca -0.20 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1fjg n LEU 5 Cb 0.57 2.16 0.00 0.00 -2.33 0.00 0.00 43.42 43.82 1fjg n LEU 5 CO 0.22 -0.12 0.00 0.29 -1.33 0.00 0.00 177.39 176.45 1fjg n LYS 6 N -2.98 0.00 -3.34 3.23 5.02 -1.26 -4.86 118.16 113.97 1fjg n LYS 6 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 1fjg n LYS 6 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.94 1fjg n LYS 6 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1fjg s LYS 7 N 0.00 0.57 0.00 1.97 -2.85 -1.26 -4.91 119.74 113.26 1fjg s LYS 7 Ca 0.00 -0.52 0.00 0.00 -1.00 0.00 0.00 55.97 54.45 1fjg s LYS 7 Cb 0.00 -0.56 0.00 0.00 -2.06 0.00 0.00 37.83 35.21 1fjg s LYS 7 CO 0.00 -1.14 0.00 0.41 0.10 0.00 0.00 175.35 174.72 1fjg n GLY 8 N 4.62 -0.39 0.00 0.59 0.00 -1.26 -5.03 105.19 103.72 1fjg n GLY 8 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1fjg n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1fjg n VAL 9 N 0.00 0.00 -1.29 1.61 0.31 -1.26 -4.66 118.33 113.04 1fjg n VAL 9 Ca 0.00 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.88 1fjg n VAL 9 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 1fjg n VAL 9 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1fjg n PHE 10 N 0.00 -0.39 -3.67 3.52 7.35 -1.26 -4.80 117.46 118.22 1fjg n PHE 10 Ca 0.00 0.89 -0.08 0.00 -0.76 0.00 0.00 57.45 57.51 1fjg n PHE 10 Cb 0.00 -1.80 -0.09 0.00 0.35 0.00 0.00 39.48 37.94 1fjg n PHE 10 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1fjg s VAL 11 N -0.86 -0.39 -0.18 -2.13 1.01 -1.26 -1.63 120.40 114.95 1fjg s VAL 11 Ca 0.60 0.09 -0.29 0.00 0.00 0.00 0.00 61.98 62.38 1fjg s VAL 11 Cb -0.87 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 1fjg s VAL 11 CO 0.51 0.04 1.55 -1.81 0.00 0.00 0.00 175.10 175.39 1fjg s ASP 12 N 2.11 6.55 0.00 3.32 1.11 -1.26 -4.85 116.67 123.65 1fjg s ASP 12 Ca -0.06 1.75 0.01 0.00 0.18 0.00 0.00 52.55 54.43 1fjg s ASP 12 Cb -0.10 -2.53 0.08 0.00 1.07 0.00 0.00 42.92 41.44 1fjg s ASP 12 CO -0.15 -1.10 0.31 -0.90 1.18 0.00 0.00 175.17 174.52 1fjg n ASP 13 N 7.82 0.00 0.29 0.27 3.85 -1.26 -2.68 116.55 124.84 1fjg n ASP 13 Ca 0.17 -0.24 -0.12 0.00 -0.71 0.00 0.00 54.79 53.90 1fjg n ASP 13 Cb 0.45 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 40.16 1fjg n ASP 13 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.20 176.64 1fjg h HIS 14 N 0.00 -0.71 0.00 2.11 3.86 -1.99 -2.86 115.15 115.56 1fjg h HIS 14 Ca 0.00 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.13 1fjg h HIS 14 Cb 0.00 0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 1fjg h HIS 14 CO 0.00 -0.43 -0.66 1.37 0.86 0.00 0.00 177.93 179.07 1fjg h LEU 15 N -0.75 0.00 0.03 2.43 8.10 -1.91 -3.04 115.31 120.18 1fjg h LEU 15 Ca -0.07 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.91 1fjg h LEU 15 Cb 0.58 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.80 1fjg h LEU 15 CO 0.11 0.24 -0.02 0.25 -4.11 0.00 0.00 178.44 174.92 1fjg h LEU 16 N 0.00 -0.04 -2.09 0.17 5.85 -1.54 2.88 115.31 120.54 1fjg h LEU 16 Ca -0.03 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.79 1fjg h LEU 16 Cb 1.21 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1fjg h LEU 16 CO 0.03 -0.02 0.30 1.05 -0.34 0.00 0.00 178.44 179.45 1fjg h GLU 17 N -0.04 0.00 0.00 1.25 4.11 -1.68 0.55 114.58 118.76 1fjg h GLU 17 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.34 1fjg h GLU 17 Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1fjg h GLU 17 CO 0.01 0.00 -0.41 -0.22 0.07 0.00 0.00 179.01 178.46 1fjg h LYS 18 N 0.00 0.00 0.10 1.06 3.64 -1.28 -3.11 116.57 116.98 1fjg h LYS 18 Ca 0.16 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.20 1fjg h LYS 18 Cb 0.75 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 1fjg h LYS 18 CO -0.00 0.41 -1.81 -0.24 -2.27 0.00 0.00 179.45 175.53 1fjg h VAL 19 N 0.00 0.81 0.00 2.00 3.04 1.04 -3.29 116.25 119.85 1fjg h VAL 19 Ca -0.00 -2.54 -0.03 0.00 -1.01 0.00 0.00 66.70 63.12 1fjg h VAL 19 Cb 1.04 2.55 -0.00 0.00 -2.01 0.00 0.00 31.29 32.87 1fjg h VAL 19 CO 0.05 0.78 -0.14 0.17 -1.01 0.00 0.00 177.57 177.42 1fjg h LEU 20 N 0.06 0.00 -0.24 3.16 8.10 -1.31 -1.88 115.31 123.19 1fjg h LEU 20 Ca -0.35 0.00 -0.21 0.00 0.11 0.00 0.00 57.88 57.43 1fjg h LEU 20 Cb 2.03 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.25 1fjg h LEU 20 CO 0.11 0.14 -0.86 -0.33 -4.11 0.00 0.00 178.44 173.38 1fjg h GLU 21 N 0.00 0.45 -0.35 0.17 5.08 -1.67 -2.76 114.58 115.50 1fjg h GLU 21 Ca -0.00 -0.43 -0.09 0.00 -1.00 0.00 0.00 59.36 57.84 1fjg h GLU 21 Cb 0.52 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1fjg h GLU 21 CO 0.02 1.08 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.88 1fjg h LEU 22 N 0.27 0.63 -0.22 1.33 3.38 -1.43 -2.90 115.31 116.37 1fjg h LEU 22 Ca -0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1fjg h LEU 22 Cb 1.48 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1fjg h LEU 22 CO 0.15 0.80 0.10 0.78 0.09 0.00 0.00 178.44 180.37 1fjg h ASN 23 N 0.58 0.29 -1.10 -0.43 2.35 -1.30 -1.43 115.58 114.54 1fjg h ASN 23 Ca 0.10 -0.13 0.32 0.00 -0.55 0.00 0.00 56.30 56.03 1fjg h ASN 23 Cb 0.60 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.85 1fjg h ASN 23 CO 0.04 0.34 0.92 0.00 -1.65 0.00 0.00 177.43 177.09 1fjg h ALA 24 N 0.96 2.98 -3.00 -0.83 0.00 -1.28 -3.38 119.26 114.71 1fjg h ALA 24 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1fjg h ALA 24 Cb 0.13 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1fjg h ALA 24 CO -0.01 -1.49 0.00 1.63 0.00 0.00 0.00 179.25 179.38 1fjg n LYS 25 N -3.85 0.00 0.00 0.00 4.01 -0.74 -5.13 118.16 112.45 1fjg n LYS 25 Ca 0.24 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.04 1fjg n LYS 25 Cb 1.28 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.80 1fjg n LYS 25 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1fjg n GLY 26 N 4.98 5.95 3.29 0.72 0.00 -0.61 -5.05 105.19 114.47 1fjg n GLY 26 Ca 0.00 -1.75 -0.37 0.00 0.00 0.00 0.00 46.02 43.90 1fjg n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fjg s GLU 27 N 1.62 2.85 -0.36 1.61 0.41 -1.26 -4.16 118.70 119.40 1fjg s GLU 27 Ca 0.00 -1.01 -0.26 0.00 -0.41 0.00 0.00 54.97 53.29 1fjg s GLU 27 Cb 0.00 -3.33 0.01 0.00 -1.78 0.00 0.00 34.13 29.03 1fjg s GLU 27 CO 0.00 -0.52 0.92 0.21 -0.49 0.00 0.00 175.26 175.38 1fjg s LYS 28 N 1.42 3.85 -0.30 1.61 2.20 -1.26 -4.96 119.74 122.31 1fjg s LYS 28 Ca 0.00 0.59 -0.35 0.00 -0.36 0.00 0.00 55.97 55.85 1fjg s LYS 28 Cb -0.18 -3.80 -0.11 0.00 -1.51 0.00 0.00 37.83 32.23 1fjg s LYS 28 CO 0.01 -0.93 2.11 0.54 -0.36 0.00 0.00 175.35 176.72 1fjg n ARG 29 N 6.73 1.28 -0.95 4.03 1.74 -1.26 -4.45 116.66 123.78 1fjg n ARG 29 Ca 0.07 0.38 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 1fjg n ARG 29 Cb 0.48 -2.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.42 1fjg n ARG 29 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1fjg n LEU 30 N 9.13 -1.60 -3.25 0.55 4.77 -1.23 -5.00 117.00 120.37 1fjg n LEU 30 Ca 0.37 1.82 -0.18 0.00 -0.03 0.00 0.00 56.01 57.99 1fjg n LEU 30 Cb 0.24 -1.42 -0.07 0.00 -2.33 0.00 0.00 43.42 39.85 1fjg n LEU 30 CO 0.75 0.12 -0.15 -0.63 -1.33 0.00 0.00 177.39 176.16 1fjg s ILE 31 N -3.26 -0.25 0.13 -0.08 -1.09 -1.07 -4.93 121.20 110.65 1fjg s ILE 31 Ca 0.00 -1.52 -0.33 0.00 -2.23 0.00 0.00 60.65 56.57 1fjg s ILE 31 Cb 0.00 -0.72 -0.12 0.00 -1.58 0.00 0.00 42.46 40.04 1fjg s ILE 31 CO 0.00 -0.68 1.71 2.29 -1.23 0.00 0.00 174.94 177.04 1fjg n LYS 32 N 3.53 2.47 -4.16 2.79 2.85 -1.26 -1.82 118.16 122.56 1fjg n LYS 32 Ca 0.19 0.89 -0.10 0.00 -1.05 0.00 0.00 58.31 58.24 1fjg n LYS 32 Cb 0.48 -2.72 -0.10 0.00 -0.65 0.00 0.00 35.03 32.04 1fjg n LYS 32 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1fjg s THR 33 N 1.81 0.42 0.00 0.58 2.01 0.98 -4.90 115.64 116.54 1fjg s THR 33 Ca 0.80 -1.90 0.00 0.00 0.31 0.00 0.00 61.69 60.90 1fjg s THR 33 Cb -0.59 -1.81 0.00 0.00 0.01 0.00 0.00 72.50 70.11 1fjg s THR 33 CO 0.38 -0.73 0.52 0.79 -0.69 0.00 0.00 174.62 174.88 1fjg n TRP 34 N -0.05 0.00 -1.54 4.92 8.01 -1.26 -3.23 117.44 124.29 1fjg n TRP 34 Ca -0.10 -0.03 -0.40 0.00 -1.31 0.00 0.00 57.50 55.66 1fjg n TRP 34 Cb 0.62 -0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 29.90 1fjg n TRP 34 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1fjg n SER 35 N -0.03 7.27 0.27 -0.99 2.88 -1.26 -4.56 113.62 117.20 1fjg n SER 35 Ca 0.00 -2.73 0.12 0.00 -1.33 0.00 0.00 58.87 54.93 1fjg n SER 35 Cb 0.03 -1.56 0.79 0.00 -0.75 0.00 0.00 64.21 62.71 1fjg n SER 35 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1fjg h ARG 36 N 5.25 0.00 0.00 -1.46 2.43 -1.88 -1.75 114.38 116.97 1fjg h ARG 36 Ca 0.76 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.93 1fjg h ARG 36 Cb 0.39 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1fjg h ARG 36 CO 1.78 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 180.78 1fjg n ARG 37 N -4.17 0.16 -2.26 0.20 5.12 -1.26 -3.56 116.66 110.88 1fjg n ARG 37 Ca -0.03 0.11 -0.39 0.00 -1.93 0.00 0.00 57.85 55.61 1fjg n ARG 37 Cb 0.10 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 29.88 1fjg n ARG 37 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1fjg s SER 38 N -2.78 6.56 -0.03 0.55 0.01 -0.66 -4.77 113.70 112.57 1fjg s SER 38 Ca 0.15 2.41 -0.19 0.00 1.31 0.00 0.00 55.95 59.63 1fjg s SER 38 Cb 0.14 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.70 1fjg s SER 38 CO 0.36 -0.66 0.53 -0.89 0.41 0.00 0.00 173.24 172.99 1fjg s THR 39 N -1.36 5.00 0.19 1.44 2.01 -0.65 0.23 115.64 122.51 1fjg s THR 39 Ca 0.56 1.10 -0.30 0.00 0.31 0.00 0.00 61.69 63.35 1fjg s THR 39 Cb -0.32 -3.86 -0.08 0.00 0.01 0.00 0.00 72.50 68.24 1fjg s THR 39 CO 0.41 0.42 1.13 -0.63 -0.69 0.00 0.00 174.62 175.26 1fjg s ILE 40 N -0.13 3.74 0.14 1.82 1.01 -0.68 -4.82 121.20 122.27 1fjg s ILE 40 Ca 0.28 1.52 0.06 0.00 0.00 0.00 0.00 60.65 62.52 1fjg s ILE 40 Cb -0.17 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 1fjg s ILE 40 CO 0.15 0.27 -0.15 0.68 0.00 0.00 0.00 174.94 175.89 1fjg s VAL 41 N -0.31 1.45 0.20 2.92 -7.23 -1.26 0.00 120.40 116.17 1fjg s VAL 41 Ca 0.50 -1.80 -0.08 0.00 -1.81 0.00 0.00 61.98 58.79 1fjg s VAL 41 Cb -0.31 -1.64 0.31 0.00 0.56 0.00 0.00 36.38 35.31 1fjg s VAL 41 CO 0.36 -0.42 1.18 -2.65 -0.31 0.00 0.00 175.10 173.27 1fjg n PRO 42 N 0.41 -0.09 -0.06 4.82 -0.02 -1.26 -0.13 135.00 138.66 1fjg n PRO 42 Ca -0.14 1.18 -0.07 0.00 -2.02 0.00 0.00 63.50 62.44 1fjg n PRO 42 Cb 0.57 -1.76 -0.01 0.00 -0.02 0.00 0.00 33.50 32.28 1fjg n PRO 42 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1fjg h GLU 43 N 0.00 -0.19 -0.89 -0.52 9.09 -2.01 0.13 114.58 120.20 1fjg h GLU 43 Ca 0.34 0.01 0.23 0.00 0.05 0.00 0.00 59.36 60.00 1fjg h GLU 43 Cb 0.53 0.04 -0.05 0.00 -1.65 0.00 0.00 28.75 27.63 1fjg h GLU 43 CO -0.78 -0.12 0.61 0.52 0.05 0.00 0.00 179.01 179.29 1fjg h MET 44 N -0.19 0.17 -6.32 1.06 2.86 -0.92 -3.43 114.93 108.15 1fjg h MET 44 Ca 0.15 -0.01 -0.59 0.00 -2.06 0.00 0.00 59.70 57.19 1fjg h MET 44 Cb 0.42 -0.04 0.17 0.00 0.06 0.00 0.00 31.60 32.22 1fjg h MET 44 CO -0.39 0.11 -0.67 0.28 1.06 0.00 0.00 176.91 177.30 1fjg n VAL 45 N -4.38 1.43 0.00 -2.22 0.31 0.46 -1.05 118.33 112.88 1fjg n VAL 45 Ca 0.19 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1fjg n VAL 45 Cb 0.84 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 33.34 1fjg n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fjg n GLY 46 N 2.05 1.69 0.00 2.92 0.00 0.10 -4.96 105.19 106.99 1fjg n GLY 46 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1fjg n GLY 46 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1fjg n HIS 47 N 0.00 -1.65 -2.93 1.61 8.25 -0.22 -4.79 115.22 115.49 1fjg n HIS 47 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 1fjg n HIS 47 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1fjg n HIS 47 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1fjg n THR 48 N -1.79 -0.27 -2.36 1.59 -1.04 -1.26 -3.23 114.28 105.91 1fjg n THR 48 Ca 0.00 -2.51 -0.42 0.00 -2.04 0.00 0.00 64.05 59.08 1fjg n THR 48 Cb 0.00 0.13 -0.03 0.00 -1.82 0.00 0.00 70.33 68.61 1fjg n THR 48 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1fjg s ILE 49 N -0.08 3.78 -0.28 12.58 1.01 -1.18 -2.61 121.20 134.42 1fjg s ILE 49 Ca 0.33 1.33 -0.11 0.00 0.00 0.00 0.00 60.65 62.20 1fjg s ILE 49 Cb 0.21 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 1fjg s ILE 49 CO -0.19 0.13 0.20 0.00 0.00 0.00 0.00 174.94 175.09 1fjg s ALA 50 N 0.76 3.53 0.10 9.38 0.00 -0.75 -2.04 121.76 132.75 1fjg s ALA 50 Ca 0.58 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 51.49 1fjg s ALA 50 Cb -0.32 -2.50 -0.04 0.00 0.00 0.00 0.00 23.12 20.26 1fjg s ALA 50 CO 0.31 -0.57 0.12 0.14 0.00 0.00 0.00 175.76 175.77 1fjg s VAL 51 N 1.78 4.68 0.15 0.00 -7.23 -0.69 -0.01 120.40 119.07 1fjg s VAL 51 Ca 0.08 -0.80 -0.24 0.00 -1.81 0.00 0.00 61.98 59.20 1fjg s VAL 51 Cb -0.16 -3.30 -0.08 0.00 0.56 0.00 0.00 36.38 33.40 1fjg s VAL 51 CO 0.11 0.05 0.73 -0.47 -0.31 0.00 0.00 175.10 175.21 1fjg s TYR 52 N -1.52 3.89 -0.11 2.82 5.04 -1.20 0.42 117.35 126.69 1fjg s TYR 52 Ca 0.31 1.56 0.15 0.00 -2.44 0.00 0.00 57.07 56.65 1fjg s TYR 52 Cb -0.12 -2.71 -0.09 0.00 0.35 0.00 0.00 41.96 39.39 1fjg s TYR 52 CO 0.24 0.53 1.03 -0.91 -1.34 0.00 0.00 175.55 175.10 1fjg h ASN 53 N 4.35 0.00 0.00 4.32 -0.26 -0.87 -3.46 115.58 119.67 1fjg h ASN 53 Ca -0.48 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.26 1fjg h ASN 53 Cb 1.21 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.47 1fjg h ASN 53 CO 0.65 0.62 0.00 0.61 -1.06 0.00 0.00 177.43 178.25 1fjg n GLY 54 N 1.35 0.69 0.32 2.83 0.00 -1.26 -4.73 105.19 104.39 1fjg n GLY 54 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1fjg n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1fjg n LYS 55 N 0.00 0.00 -4.26 1.61 4.81 -1.26 -5.14 118.16 113.92 1fjg n LYS 55 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 1fjg n LYS 55 Cb 0.00 -0.46 -0.10 0.00 0.02 0.00 0.00 35.03 34.49 1fjg n LYS 55 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1fjg s GLN 56 N -1.24 1.17 -0.21 1.64 -1.52 -1.26 -5.14 119.66 113.11 1fjg s GLN 56 Ca 0.00 -1.58 -0.07 0.00 -1.95 0.00 0.00 55.36 51.75 1fjg s GLN 56 Cb 0.00 -0.26 -0.04 0.00 -0.22 0.00 0.00 33.01 32.50 1fjg s GLN 56 CO 0.00 -0.17 0.07 -1.01 -0.25 0.00 0.00 175.29 173.93 1fjg s HIS 57 N -3.69 3.17 -0.08 0.91 3.76 -1.26 -0.19 115.29 117.92 1fjg s HIS 57 Ca 0.27 -0.13 0.02 0.00 -0.15 0.00 0.00 55.06 55.07 1fjg s HIS 57 Cb 0.06 -2.15 -0.03 0.00 1.11 0.00 0.00 32.58 31.58 1fjg s HIS 57 CO 0.06 -0.06 -0.11 0.14 -0.85 0.00 0.00 174.74 173.92 1fjg s VAL 58 N 0.91 3.32 -0.07 -0.90 -7.23 0.17 -4.85 120.40 111.75 1fjg s VAL 58 Ca 0.04 -0.61 -0.30 0.00 -1.81 0.00 0.00 61.98 59.30 1fjg s VAL 58 Cb -0.14 -2.35 -0.05 0.00 0.56 0.00 0.00 36.38 34.40 1fjg s VAL 58 CO 0.03 0.58 1.63 -2.16 -0.31 0.00 0.00 175.10 174.86 1fjg s PRO 59 N -0.49 4.17 -0.35 4.82 0.04 -1.26 -1.71 135.00 140.22 1fjg s PRO 59 Ca 0.07 2.14 0.02 0.00 0.04 0.00 0.00 61.00 63.27 1fjg s PRO 59 Cb -0.12 -3.97 0.11 0.00 0.04 0.00 0.00 34.50 30.55 1fjg s PRO 59 CO 0.02 -0.85 0.10 0.08 0.04 0.00 0.00 177.00 176.40 1fjg s VAL 60 N 4.03 1.57 -0.42 -0.36 1.01 -0.86 -4.99 120.40 120.37 1fjg s VAL 60 Ca 0.72 -2.00 -0.28 0.00 0.00 0.00 0.00 61.98 60.42 1fjg s VAL 60 Cb -0.32 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 1fjg s VAL 60 CO 0.28 -0.68 1.84 -0.47 0.00 0.00 0.00 175.10 176.07 1fjg s TYR 61 N 1.09 1.74 -0.24 5.22 6.04 -1.26 -3.08 117.35 126.86 1fjg s TYR 61 Ca 0.12 0.72 -0.29 0.00 0.04 0.00 0.00 57.07 57.66 1fjg s TYR 61 Cb -0.19 -4.09 0.01 0.00 -1.04 0.00 0.00 41.96 36.64 1fjg s TYR 61 CO -0.14 -2.72 1.07 -1.50 -1.54 0.00 0.00 175.55 170.72 1fjg s ILE 62 N 7.77 4.60 0.30 3.14 1.10 -1.20 -4.99 121.20 131.92 1fjg s ILE 62 Ca 0.76 1.92 0.07 0.00 -0.51 0.00 0.00 60.65 62.89 1fjg s ILE 62 Cb -0.19 -4.30 -0.03 0.00 0.15 0.00 0.00 42.46 38.10 1fjg s ILE 62 CO 0.29 -0.24 0.33 -0.89 -2.11 0.00 0.00 174.94 172.33 1fjg s THR 63 N 3.33 4.24 0.02 4.00 2.01 -1.26 0.01 115.64 127.99 1fjg s THR 63 Ca 0.45 -1.20 0.32 0.00 0.31 0.00 0.00 61.69 61.57 1fjg s THR 63 Cb -0.15 -3.43 0.36 0.00 0.01 0.00 0.00 72.50 69.29 1fjg s THR 63 CO 0.09 -0.24 1.96 -0.08 -0.69 0.00 0.00 174.62 175.65 1fjg h GLU 64 N 1.20 0.00 -0.01 4.92 4.57 -1.96 -2.60 114.58 120.70 1fjg h GLU 64 Ca -0.47 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1fjg h GLU 64 Cb 1.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1fjg h GLU 64 CO 0.58 0.00 -0.27 0.27 -1.18 0.00 0.00 179.01 178.41 1fjg n ASN 65 N -2.88 1.08 -0.45 1.04 6.94 -1.26 -3.75 115.26 115.98 1fjg n ASN 65 Ca 0.01 -0.92 0.05 0.00 -0.02 0.00 0.00 54.58 53.69 1fjg n ASN 65 Cb 0.26 0.16 0.12 0.00 -2.36 0.00 0.00 39.78 37.96 1fjg n ASN 65 CO 0.00 0.00 0.00 1.15 -1.03 0.00 0.00 177.26 177.38 1fjg n MET 66 N -0.62 2.78 -1.98 -3.83 0.00 -0.98 -5.02 117.12 107.47 1fjg n MET 66 Ca 0.12 -2.06 -0.40 0.00 0.00 0.00 0.00 57.70 55.36 1fjg n MET 66 Cb 0.35 -1.30 -0.00 0.00 0.00 0.00 0.00 33.22 32.27 1fjg n MET 66 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1fjg s VAL 67 N -1.44 2.46 0.00 3.17 1.01 -1.21 -2.77 120.40 121.62 1fjg s VAL 67 Ca 0.20 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1fjg s VAL 67 Cb 0.13 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1fjg s VAL 67 CO 0.09 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.87 1fjg n GLY 68 N 0.64 3.03 3.77 4.51 0.00 0.10 -4.96 105.19 112.28 1fjg n GLY 68 Ca 0.04 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 1fjg n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1fjg s HIS 69 N -1.21 2.95 0.54 1.61 4.02 -1.11 -4.32 115.29 117.77 1fjg s HIS 69 Ca 0.00 1.37 -0.20 0.00 1.02 0.00 0.00 55.06 57.24 1fjg s HIS 69 Cb 0.00 -3.75 -0.05 0.00 -1.02 0.00 0.00 32.58 27.76 1fjg s HIS 69 CO 0.00 -2.09 1.20 0.15 1.02 0.00 0.00 174.74 175.02 1fjg s LYS 70 N -1.87 3.26 1.34 1.40 3.01 -1.26 -1.68 119.74 123.93 1fjg s LYS 70 Ca 0.50 1.83 -0.20 0.00 -1.01 0.00 0.00 55.97 57.09 1fjg s LYS 70 Cb -0.41 -2.11 0.32 0.00 -1.01 0.00 0.00 37.83 34.63 1fjg s LYS 70 CO 0.55 -0.98 0.77 1.28 0.51 0.00 0.00 175.35 177.48 1fjg n LEU 71 N -1.19 -0.88 0.00 3.17 4.77 0.63 -4.27 117.00 119.23 1fjg n LEU 71 Ca 0.11 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 1fjg n LEU 71 Cb 0.49 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 1fjg n LEU 71 CO 0.46 -4.10 0.00 0.61 -1.33 0.00 0.00 177.39 173.02 1fjg n GLY 72 N 1.83 0.87 4.54 -0.72 0.00 -1.26 -4.62 105.19 105.84 1fjg n GLY 72 Ca 0.10 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1fjg n GLY 72 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1fjg n GLU 73 N 0.17 0.00 0.00 1.61 2.13 -1.26 -3.84 120.64 119.44 1fjg n GLU 73 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1fjg n GLU 73 Cb 0.00 -3.07 0.00 0.00 0.27 0.00 0.00 31.44 28.64 1fjg n GLU 73 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1fjg n PHE 74 N -1.52 0.00 -3.58 4.31 3.01 -1.26 -4.81 117.46 113.61 1fjg n PHE 74 Ca 0.00 -0.17 -0.27 0.00 1.01 0.00 0.00 57.45 58.02 1fjg n PHE 74 Cb 0.00 -0.02 -0.10 0.00 -0.01 0.00 0.00 39.48 39.35 1fjg n PHE 74 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1fjg n ALA 75 N -0.17 3.34 -1.55 4.37 0.00 -1.25 -5.01 120.51 120.24 1fjg n ALA 75 Ca 0.00 -4.14 -0.41 0.00 0.00 0.00 0.00 53.44 48.89 1fjg n ALA 75 Cb 0.20 -0.91 0.02 0.00 0.00 0.00 0.00 19.45 18.75 1fjg n ALA 75 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1fjg n PRO 76 N 1.80 0.98 -0.10 0.00 -0.02 -1.26 -4.75 135.00 131.65 1fjg n PRO 76 Ca 0.25 0.36 -0.14 0.00 -2.02 0.00 0.00 63.50 61.95 1fjg n PRO 76 Cb 0.42 -1.87 -0.05 0.00 -0.02 0.00 0.00 33.50 31.97 1fjg n PRO 76 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1fjg n THR 77 N -0.89 1.49 -1.82 3.45 -1.04 -1.26 -4.79 114.28 109.40 1fjg n THR 77 Ca 0.11 0.04 -0.35 0.00 -2.04 0.00 0.00 64.05 61.80 1fjg n THR 77 Cb 0.41 -2.22 0.05 0.00 -1.82 0.00 0.00 70.33 66.75 1fjg n THR 77 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1fjg s ARG 78 N -2.54 2.72 -0.45 -2.82 1.81 -1.26 -5.00 118.95 111.41 1fjg s ARG 78 Ca -0.27 1.78 0.04 0.00 -1.72 0.00 0.00 55.73 55.56 1fjg s ARG 78 Cb 0.06 -1.90 0.12 0.00 -0.45 0.00 0.00 34.95 32.77 1fjg s ARG 78 CO 0.40 -1.39 0.18 0.99 -0.68 0.00 0.00 175.30 174.80 1fjg s THR 79 N -1.76 2.39 -0.11 0.02 2.01 -1.26 -5.08 115.64 111.86 1fjg s THR 79 Ca 0.76 -2.90 0.01 0.00 0.31 0.00 0.00 61.69 59.88 1fjg s THR 79 Cb -0.29 -2.70 0.02 0.00 0.01 0.00 0.00 72.50 69.53 1fjg s THR 79 CO 0.37 -0.73 -0.14 -0.47 -0.69 0.00 0.00 174.62 172.96 1fjg s TYR 80 N 0.21 1.90 -0.06 4.92 5.04 -1.26 -4.99 117.35 123.12 1fjg s TYR 80 Ca 0.15 -0.90 0.08 0.00 -2.44 0.00 0.00 57.07 53.95 1fjg s TYR 80 Cb -0.23 -1.39 0.12 0.00 0.35 0.00 0.00 41.96 40.81 1fjg s TYR 80 CO -0.03 -0.48 1.02 0.54 -1.34 0.00 0.00 175.55 175.25 1fjg n ARG 81 N 4.28 1.68 0.00 4.97 1.74 -1.26 -5.11 116.66 122.96 1fjg n ARG 81 Ca -0.19 -1.81 0.00 0.00 -0.77 0.00 0.00 57.85 55.08 1fjg n ARG 81 Cb 0.51 -1.11 0.00 0.00 -1.02 0.00 0.00 32.46 30.84 1fjg n ARG 81 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fjg n GLY 82 N -0.80 2.72 0.05 -0.13 0.00 -1.26 -4.87 105.19 100.91 1fjg n GLY 82 Ca 0.07 -1.91 0.07 0.00 0.00 0.00 0.00 46.02 44.25 1fjg n GLY 82 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1fjg n HIS 83 N 0.59 0.29 -0.97 1.61 8.25 -1.26 -5.01 115.22 118.72 1fjg n HIS 83 Ca 0.00 0.09 -0.33 0.00 -0.26 0.00 0.00 57.72 57.22 1fjg n HIS 83 Cb 0.00 -0.73 0.03 0.00 1.12 0.00 0.00 29.99 30.41 1fjg n HIS 83 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1fjg n GLY 84 N 1.34 -3.84 0.00 -1.41 0.00 -1.26 -5.34 105.19 94.68 1fjg n GLY 84 Ca -0.08 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1fjg n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49