#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fjk n PHE 1 N 0.00 1.46 -2.85 -1.40 7.35 -1.26 -5.00 117.46 115.76 3fjk n PHE 1 Ca 0.00 -1.85 -0.42 0.00 -0.76 0.00 0.00 57.45 54.41 3fjk n PHE 1 Cb 0.00 -0.26 -0.04 0.00 0.35 0.00 0.00 39.48 39.53 3fjk n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 3fjk s ASN 2 N -3.40 6.65 0.04 -2.13 0.01 -1.26 -5.03 114.94 109.82 3fjk s ASN 2 Ca 0.39 0.54 0.00 0.00 -0.71 0.00 0.00 52.86 53.07 3fjk s ASN 2 Cb 0.37 -2.44 -0.04 0.00 0.41 0.00 0.00 41.25 39.55 3fjk s ASN 2 CO -0.03 -0.81 0.15 -0.76 -1.51 0.00 0.00 177.10 174.14 3fjk s LEU 3 N 3.35 4.16 0.70 0.60 1.43 -1.26 -0.35 118.68 127.31 3fjk s LEU 3 Ca 0.36 0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 53.55 3fjk s LEU 3 Cb -0.12 -2.67 0.01 0.00 0.03 0.00 0.00 46.19 43.44 3fjk s LEU 3 CO 0.18 0.21 1.08 -2.16 0.23 0.00 0.00 176.35 175.89 3fjk s PRO 4 N -2.23 2.93 0.00 1.29 0.04 -1.26 -4.58 135.00 131.19 3fjk s PRO 4 Ca 0.30 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.90 3fjk s PRO 4 Cb -0.13 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.39 3fjk s PRO 4 CO 0.22 -1.00 0.00 -0.35 0.04 0.00 0.00 177.00 175.91 3fjk n PRO 5 N -3.00 0.00 -0.90 0.56 -0.04 -1.26 -4.97 135.00 125.39 3fjk n PRO 5 Ca 0.07 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.56 3fjk n PRO 5 Cb 0.56 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.01 3fjk n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fjk n GLY 6 N 3.71 -0.95 3.85 0.55 0.00 -1.26 -5.00 105.19 106.09 3fjk n GLY 6 Ca 0.00 -0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 3fjk n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fjk s ASN 7 N -5.19 4.55 -0.05 1.61 2.20 -1.26 -5.03 114.94 111.77 3fjk s ASN 7 Ca 0.00 -1.23 0.13 0.00 -0.94 0.00 0.00 52.86 50.82 3fjk s ASN 7 Cb 0.00 0.16 0.40 0.00 -2.00 0.00 0.00 41.25 39.81 3fjk s ASN 7 CO 0.00 -0.91 1.33 -1.22 -2.94 0.00 0.00 177.10 173.36 3fjk n TYR 8 N -1.56 0.66 -0.18 1.54 4.01 -1.26 -4.66 117.16 115.71 3fjk n TYR 8 Ca -0.04 -0.59 -0.07 0.00 -0.16 0.00 0.00 57.90 57.04 3fjk n TYR 8 Cb 0.65 -0.10 0.02 0.00 -0.31 0.00 0.00 39.34 39.59 3fjk n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3fjk h LYS 9 N 2.23 0.72 -6.52 -0.72 1.57 -1.96 -3.43 116.57 108.47 3fjk h LYS 9 Ca 0.00 -0.09 -0.67 0.00 -1.87 0.00 0.00 60.65 58.02 3fjk h LYS 9 Cb 0.94 -0.14 -0.17 0.00 0.08 0.00 0.00 32.23 32.94 3fjk h LYS 9 CO 0.06 0.56 -0.75 0.15 -0.57 0.00 0.00 179.45 178.91 3fjk s LYS 10 N -5.85 2.18 0.87 3.15 1.02 -1.26 -5.09 119.74 114.76 3fjk s LYS 10 Ca -0.13 -0.97 -0.11 0.00 0.02 0.00 0.00 55.97 54.78 3fjk s LYS 10 Cb 0.12 -2.31 0.12 0.00 -0.52 0.00 0.00 37.83 35.24 3fjk s LYS 10 CO 0.76 0.53 1.16 -1.25 -0.92 0.00 0.00 175.35 175.63 3fjk s PRO 11 N -1.90 1.34 0.21 -1.68 0.04 -1.26 -4.79 135.00 126.97 3fjk s PRO 11 Ca 0.19 1.57 -0.05 0.00 0.04 0.00 0.00 61.00 62.75 3fjk s PRO 11 Cb -0.11 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 3fjk s PRO 11 CO 0.11 -2.40 0.24 0.15 0.04 0.00 0.00 177.00 175.14 3fjk s LYS 12 N -4.52 1.30 -0.01 4.56 -0.14 0.90 -4.16 119.74 117.67 3fjk s LYS 12 Ca 0.68 -1.50 0.02 0.00 -1.36 0.00 0.00 55.97 53.81 3fjk s LYS 12 Cb -0.24 0.33 -0.03 0.00 -1.68 0.00 0.00 37.83 36.21 3fjk s LYS 12 CO 0.55 -0.47 -0.04 -0.51 -0.76 0.00 0.00 175.35 174.13 3fjk s LEU 13 N -3.11 3.31 -0.42 3.17 1.43 0.23 -0.88 118.68 122.41 3fjk s LEU 13 Ca 0.33 -0.08 -0.05 0.00 -1.03 0.00 0.00 54.13 53.30 3fjk s LEU 13 Cb 0.05 -1.88 0.11 0.00 0.03 0.00 0.00 46.19 44.49 3fjk s LEU 13 CO 0.11 0.29 0.24 -0.76 0.23 0.00 0.00 176.35 176.46 3fjk s LEU 14 N -1.42 5.30 -0.04 1.79 1.43 -1.26 -0.79 118.68 123.69 3fjk s LEU 14 Ca 0.18 -1.90 -0.17 0.00 -1.03 0.00 0.00 54.13 51.20 3fjk s LEU 14 Cb -0.11 -1.89 -0.05 0.00 0.03 0.00 0.00 46.19 44.16 3fjk s LEU 14 CO 0.08 -0.57 0.48 -0.47 0.23 0.00 0.00 176.35 176.10 3fjk s TYR 15 N 1.24 3.64 -0.25 0.29 5.04 -0.32 -1.23 117.35 125.76 3fjk s TYR 15 Ca 0.06 1.00 -0.05 0.00 -2.44 0.00 0.00 57.07 55.65 3fjk s TYR 15 Cb -0.24 -2.46 0.00 0.00 0.35 0.00 0.00 41.96 39.61 3fjk s TYR 15 CO -0.02 0.40 0.01 0.00 -1.34 0.00 0.00 175.55 174.59 3fjk h SER 17 N 8.15 0.64 -0.87 0.00 0.87 -1.84 -0.42 113.55 120.08 3fjk h SER 17 Ca -0.36 -0.08 0.14 0.00 -1.23 0.00 0.00 61.79 60.25 3fjk h SER 17 Cb 1.14 -0.17 -0.14 0.00 -0.44 0.00 0.00 62.40 62.79 3fjk h SER 17 CO 0.60 0.60 -0.33 -3.20 -0.53 0.00 0.00 176.83 173.97 3fjk n ASN 18 N -4.33 -0.55 0.00 6.23 5.15 -1.26 -2.65 115.26 117.85 3fjk n ASN 18 Ca 0.04 1.52 0.00 0.00 -0.60 0.00 0.00 54.58 55.54 3fjk n ASN 18 Cb 0.17 -0.36 0.00 0.00 -0.53 0.00 0.00 39.78 39.07 3fjk n ASN 18 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3fjk n GLY 19 N -1.42 0.09 2.29 8.20 0.00 -1.23 -4.72 105.19 108.40 3fjk n GLY 19 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 3fjk n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fjk n GLY 20 N -0.16 0.23 3.75 -0.02 0.00 -0.19 -4.97 105.19 103.83 3fjk n GLY 20 Ca 0.00 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 3fjk n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fjk s HIS 21 N -2.89 3.17 -0.11 1.61 3.76 -1.07 -4.40 115.29 115.37 3fjk s HIS 21 Ca 0.16 0.10 -0.10 0.00 -0.15 0.00 0.00 55.06 55.07 3fjk s HIS 21 Cb -0.07 -1.65 -0.05 0.00 1.11 0.00 0.00 32.58 31.92 3fjk s HIS 21 CO 0.19 0.51 0.22 -0.06 -0.85 0.00 0.00 174.74 174.76 3fjk s PHE 22 N -1.26 3.59 0.25 1.40 0.08 0.49 -0.71 117.98 121.82 3fjk s PHE 22 Ca 0.25 0.62 -0.30 0.00 0.12 0.00 0.00 56.93 57.63 3fjk s PHE 22 Cb -0.12 -2.10 -0.10 0.00 -0.57 0.00 0.00 43.02 40.13 3fjk s PHE 22 CO 0.17 0.60 1.43 -1.17 -0.10 0.00 0.00 175.22 176.14 3fjk s LEU 23 N -0.68 4.39 -0.02 -0.37 2.96 -0.37 -0.61 118.68 123.98 3fjk s LEU 23 Ca 0.16 2.66 0.01 0.00 -0.22 0.00 0.00 54.13 56.75 3fjk s LEU 23 Cb -0.13 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 42.94 3fjk s LEU 23 CO 0.05 -0.69 -0.03 -0.60 -1.32 0.00 0.00 176.35 173.76 3fjk s ARG 24 N -0.47 0.44 -0.35 1.98 3.52 0.79 -4.46 118.95 120.40 3fjk s ARG 24 Ca 0.59 -0.08 -0.03 0.00 -0.13 0.00 0.00 55.73 56.08 3fjk s ARG 24 Cb -0.42 -0.49 0.08 0.00 -1.56 0.00 0.00 34.95 32.56 3fjk s ARG 24 CO 0.44 -0.00 0.10 0.42 -0.81 0.00 0.00 175.30 175.45 3fjk s ILE 25 N 0.42 3.20 0.57 4.11 1.01 -1.08 -1.08 121.20 128.35 3fjk s ILE 25 Ca -0.04 -1.66 -0.16 0.00 0.00 0.00 0.00 60.65 58.78 3fjk s ILE 25 Cb -0.08 -3.00 -0.05 0.00 0.01 0.00 0.00 42.46 39.34 3fjk s ILE 25 CO -0.01 -0.38 1.05 -0.76 0.00 0.00 0.00 174.94 174.84 3fjk s LEU 26 N 1.22 3.55 0.30 2.97 1.43 0.40 -4.84 118.68 123.71 3fjk s LEU 26 Ca 0.01 1.79 0.07 0.00 -1.03 0.00 0.00 54.13 54.97 3fjk s LEU 26 Cb -0.21 -4.53 0.78 0.00 0.03 0.00 0.00 46.19 42.26 3fjk s LEU 26 CO -0.02 -1.05 1.75 -0.65 0.23 0.00 0.00 176.35 176.61 3fjk h PRO 27 N 0.61 0.63 0.00 1.29 0.11 -1.99 0.35 132.00 133.00 3fjk h PRO 27 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3fjk h PRO 27 Cb 1.22 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3fjk h PRO 27 CO 0.58 0.42 0.00 -0.40 -0.21 0.00 0.00 178.00 178.39 3fjk n ASP 28 N -4.85 0.00 0.00 -2.05 5.68 -1.26 -4.80 116.55 109.28 3fjk n ASP 28 Ca 0.24 -0.87 0.00 0.00 -0.50 0.00 0.00 54.79 53.66 3fjk n ASP 28 Cb 0.64 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.62 3fjk n ASP 28 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fjk n GLY 29 N 0.18 0.71 3.77 6.12 0.00 0.12 -4.97 105.19 111.12 3fjk n GLY 29 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 3fjk n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fjk s THR 30 N -2.49 3.12 -0.08 2.61 2.01 -1.22 -0.28 115.64 119.30 3fjk s THR 30 Ca 0.00 1.02 0.03 0.00 0.31 0.00 0.00 61.69 63.05 3fjk s THR 30 Cb 0.00 -3.61 0.01 0.00 0.01 0.00 0.00 72.50 68.91 3fjk s THR 30 CO 0.00 0.16 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.23 3fjk s VAL 31 N -1.30 1.54 0.00 3.82 1.01 -1.26 0.15 120.40 124.36 3fjk s VAL 31 Ca 0.53 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.79 3fjk s VAL 31 Cb -0.33 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.69 3fjk s VAL 31 CO 0.42 0.44 0.00 -0.90 0.00 0.00 0.00 175.10 175.07 3fjk n ASP 32 N 3.71 0.00 -4.51 3.32 5.75 -0.24 -4.53 116.55 120.04 3fjk n ASP 32 Ca -0.21 -1.00 -0.29 0.00 -0.01 0.00 0.00 54.79 53.28 3fjk n ASP 32 Cb 0.52 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.50 3fjk n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3fjk s GLY 33 N -1.08 1.72 0.01 6.12 0.00 0.18 -0.15 107.32 114.12 3fjk s GLY 33 Ca 0.00 -1.35 -0.04 0.00 0.00 0.00 0.00 44.72 43.34 3fjk s GLY 33 CO 0.00 -1.33 0.06 -1.08 0.00 0.00 0.00 173.10 170.74 3fjk s THR 34 N -1.23 0.09 -2.58 0.90 -1.32 0.22 -4.79 115.64 106.93 3fjk s THR 34 Ca 0.19 -0.77 0.25 0.00 -1.21 0.00 0.00 61.69 60.16 3fjk s THR 34 Cb -0.10 -0.34 0.43 0.00 -1.51 0.00 0.00 72.50 70.98 3fjk s THR 34 CO 0.11 -0.42 1.55 0.54 -2.21 0.00 0.00 174.62 174.19 3fjk n ARG 35 N 1.59 1.93 -3.05 7.08 1.74 -1.26 0.18 116.66 124.87 3fjk n ARG 35 Ca -0.23 -1.37 -0.43 0.00 -0.77 0.00 0.00 57.85 55.06 3fjk n ARG 35 Cb 0.55 -1.46 -0.06 0.00 -1.02 0.00 0.00 32.46 30.47 3fjk n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3fjk s ASP 36 N -1.87 6.39 0.20 0.55 2.15 -1.26 -4.90 116.67 117.93 3fjk s ASP 36 Ca 0.34 -0.11 0.22 0.00 0.43 0.00 0.00 52.55 53.44 3fjk s ASP 36 Cb 0.20 -2.35 0.90 0.00 -0.30 0.00 0.00 42.92 41.38 3fjk s ASP 36 CO 0.31 -0.79 1.68 0.54 -0.17 0.00 0.00 175.17 176.74 3fjk n ARG 37 N 6.39 0.16 0.09 4.34 1.74 -1.26 -2.37 116.66 125.74 3fjk n ARG 37 Ca 0.00 0.36 -0.04 0.00 -0.77 0.00 0.00 57.85 57.41 3fjk n ARG 37 Cb 0.48 -1.79 -0.07 0.00 -1.02 0.00 0.00 32.46 30.07 3fjk n ARG 37 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3fjk h SER 38 N 0.00 0.00 -1.63 0.55 0.02 -2.00 -3.47 113.55 107.02 3fjk h SER 38 Ca 0.00 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.28 3fjk h SER 38 Cb 0.38 0.00 0.08 0.00 0.14 0.00 0.00 62.40 63.00 3fjk h SER 38 CO 0.00 0.82 0.05 -0.67 -1.14 0.00 0.00 176.83 175.89 3fjk n ASP 39 N -3.30 0.55 0.18 3.07 -0.08 -1.00 -4.87 116.55 111.12 3fjk n ASP 39 Ca 0.00 1.15 0.12 0.00 -1.51 0.00 0.00 54.79 54.55 3fjk n ASP 39 Cb 0.87 -1.12 0.12 0.00 2.34 0.00 0.00 41.12 43.33 3fjk n ASP 39 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 3fjk h GLN 40 N 2.67 0.00 -0.61 -0.67 1.08 -1.90 -3.33 115.11 112.35 3fjk h GLN 40 Ca -0.41 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.79 3fjk h GLN 40 Cb 1.38 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.81 3fjk h GLN 40 CO 0.65 0.00 0.00 0.72 -0.95 0.00 0.00 178.83 179.26 3fjk n HIS 41 N -2.97 1.04 0.76 2.96 8.25 -1.26 -3.85 115.22 120.15 3fjk n HIS 41 Ca 0.03 -0.41 0.09 0.00 -0.26 0.00 0.00 57.72 57.17 3fjk n HIS 41 Cb 0.54 -0.19 0.08 0.00 1.12 0.00 0.00 29.99 31.53 3fjk n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3fjk n ILE 42 N 0.68 0.00 -2.74 1.59 -5.35 -1.25 -2.65 119.36 109.65 3fjk n ILE 42 Ca 0.18 -0.50 -0.43 0.00 -0.27 0.00 0.00 62.75 61.73 3fjk n ILE 42 Cb 0.66 1.38 -0.03 0.00 -1.74 0.00 0.00 39.64 39.91 3fjk n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3fjk s GLN 43 N -1.53 3.55 -0.04 6.28 1.11 -1.25 -4.49 119.66 123.29 3fjk s GLN 43 Ca 0.21 0.21 0.03 0.00 0.01 0.00 0.00 55.36 55.82 3fjk s GLN 43 Cb 0.15 -3.95 -0.03 0.00 -1.01 0.00 0.00 33.01 28.17 3fjk s GLN 43 CO 0.23 -1.36 -0.10 -0.51 0.01 0.00 0.00 175.29 173.55 3fjk s LEU 44 N 4.12 2.98 -0.22 2.90 1.43 -0.06 -1.23 118.68 128.60 3fjk s LEU 44 Ca 0.40 -0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.33 3fjk s LEU 44 Cb -0.09 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 3fjk s LEU 44 CO 0.27 0.34 -0.03 -1.58 0.23 0.00 0.00 176.35 175.57 3fjk s GLN 45 N -0.92 3.42 0.05 1.70 2.00 0.15 -0.07 119.66 125.98 3fjk s GLN 45 Ca 0.13 -0.61 -0.07 0.00 -2.00 0.00 0.00 55.36 52.81 3fjk s GLN 45 Cb -0.11 -3.03 -0.05 0.00 0.80 0.00 0.00 33.01 30.62 3fjk s GLN 45 CO 0.02 -0.18 0.33 -0.51 -0.50 0.00 0.00 175.29 174.45 3fjk s LEU 46 N 1.44 4.35 0.04 3.68 1.02 -1.26 -1.25 118.68 126.70 3fjk s LEU 46 Ca 0.05 0.64 0.01 0.00 0.02 0.00 0.00 54.13 54.85 3fjk s LEU 46 Cb -0.14 -2.85 -0.02 0.00 0.02 0.00 0.00 46.19 43.19 3fjk s LEU 46 CO -0.02 0.20 -0.05 -0.94 0.02 0.00 0.00 176.35 175.56 3fjk s SER 47 N -1.81 0.56 0.06 2.29 1.04 -0.85 -4.73 113.70 110.26 3fjk s SER 47 Ca 0.31 -0.60 -0.07 0.00 0.48 0.00 0.00 55.95 56.07 3fjk s SER 47 Cb -0.13 0.08 -0.05 0.00 0.10 0.00 0.00 66.02 66.02 3fjk s SER 47 CO 0.18 -0.30 0.33 0.00 0.98 0.00 0.00 173.24 174.43 3fjk s ALA 48 N -1.80 3.80 0.00 5.32 0.00 -1.26 -0.75 121.76 127.08 3fjk s ALA 48 Ca -0.10 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.35 3fjk s ALA 48 Cb -0.07 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 20.91 3fjk s ALA 48 CO -0.02 0.63 0.00 -1.91 0.00 0.00 0.00 175.76 174.46 3fjk n GLU 49 N 0.86 0.00 -1.99 0.00 4.07 -0.33 -4.90 120.64 118.35 3fjk n GLU 49 Ca -0.09 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.73 3fjk n GLU 49 Cb 0.52 0.00 0.13 0.00 -0.06 0.00 0.00 31.44 32.03 3fjk n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 3fjk s SER 50 N -0.66 3.94 0.02 4.31 0.01 -1.26 -4.87 113.70 115.19 3fjk s SER 50 Ca 0.00 0.45 -0.35 0.00 1.31 0.00 0.00 55.95 57.36 3fjk s SER 50 Cb 0.00 -0.76 -0.13 0.00 0.21 0.00 0.00 66.02 65.34 3fjk s SER 50 CO 0.00 -2.22 1.68 0.52 0.41 0.00 0.00 173.24 173.63 3fjk n VAL 51 N -3.43 0.25 -0.85 3.43 0.31 -1.26 -1.18 118.33 115.61 3fjk n VAL 51 Ca 0.12 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3fjk n VAL 51 Cb 0.60 -1.57 0.00 0.00 -0.91 0.00 0.00 33.84 31.96 3fjk n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fjk n GLY 52 N 3.77 0.79 3.54 2.92 0.00 -1.26 -5.04 105.19 109.91 3fjk n GLY 52 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 3fjk n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fjk s GLU 53 N -0.15 2.34 0.14 1.61 2.02 -0.32 -0.98 118.70 123.36 3fjk s GLU 53 Ca 0.00 -0.84 -0.05 0.00 0.02 0.00 0.00 54.97 54.10 3fjk s GLU 53 Cb 0.00 -2.37 -0.02 0.00 0.10 0.00 0.00 34.13 31.84 3fjk s GLU 53 CO 0.00 0.57 0.17 0.14 0.02 0.00 0.00 175.26 176.16 3fjk s VAL 54 N -0.98 0.09 0.06 2.63 -7.23 0.20 -1.18 120.40 113.99 3fjk s VAL 54 Ca 0.16 -1.63 0.09 0.00 -1.81 0.00 0.00 61.98 58.79 3fjk s VAL 54 Cb -0.11 -1.91 -0.03 0.00 0.56 0.00 0.00 36.38 34.89 3fjk s VAL 54 CO 0.07 -0.41 -0.22 -0.31 -0.31 0.00 0.00 175.10 173.92 3fjk s TYR 55 N -4.00 2.44 -0.23 2.82 2.02 0.07 -0.57 117.35 119.91 3fjk s TYR 55 Ca 0.20 -0.33 0.01 0.00 -0.37 0.00 0.00 57.07 56.57 3fjk s TYR 55 Cb 0.05 -1.40 0.06 0.00 -0.40 0.00 0.00 41.96 40.27 3fjk s TYR 55 CO 0.00 0.23 -0.06 0.42 -1.57 0.00 0.00 175.55 174.57 3fjk s ILE 56 N -0.92 1.57 -0.01 2.71 1.01 -1.26 -2.01 121.20 122.29 3fjk s ILE 56 Ca 0.14 -1.19 0.06 0.00 0.00 0.00 0.00 60.65 59.65 3fjk s ILE 56 Cb -0.10 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 3fjk s ILE 56 CO 0.05 -0.05 -0.18 -0.75 0.00 0.00 0.00 174.94 174.01 3fjk s LYS 57 N 1.38 2.26 -0.12 2.79 2.20 -0.38 -0.27 119.74 127.60 3fjk s LYS 57 Ca -0.05 -0.85 -0.29 0.00 -0.36 0.00 0.00 55.97 54.42 3fjk s LYS 57 Cb -0.18 -2.23 -0.02 0.00 -1.51 0.00 0.00 37.83 33.88 3fjk s LYS 57 CO -0.06 0.58 1.25 0.45 -0.36 0.00 0.00 175.35 177.21 3fjk s SER 58 N -0.93 6.97 0.47 1.43 0.15 0.92 0.30 113.70 123.02 3fjk s SER 58 Ca 0.12 1.76 0.26 0.00 0.70 0.00 0.00 55.95 58.79 3fjk s SER 58 Cb -0.10 -2.55 1.05 0.00 -1.71 0.00 0.00 66.02 62.71 3fjk s SER 58 CO 0.02 -0.70 1.87 0.71 1.20 0.00 0.00 173.24 176.34 3fjk h THR 59 N 5.31 0.43 0.05 6.45 1.35 -1.51 0.12 112.91 125.11 3fjk h THR 59 Ca -0.30 -0.95 -0.09 0.00 -0.55 0.00 0.00 66.41 64.53 3fjk h THR 59 Cb 1.13 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 3fjk h THR 59 CO 0.94 0.16 -0.43 -0.08 -0.25 0.00 0.00 175.52 175.86 3fjk h GLU 60 N 0.00 0.10 -0.01 4.72 4.57 -1.80 -3.39 114.58 118.77 3fjk h GLU 60 Ca -0.00 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 3fjk h GLU 60 Cb 0.67 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 3fjk h GLU 60 CO 0.02 1.08 -0.10 0.25 -1.18 0.00 0.00 179.01 179.09 3fjk n THR 61 N -4.41 0.00 -1.37 0.32 -2.24 -1.24 -5.01 114.28 100.34 3fjk n THR 61 Ca -0.14 -0.45 -0.13 0.00 -2.27 0.00 0.00 64.05 61.06 3fjk n THR 61 Cb 0.62 1.20 -0.05 0.00 -2.10 0.00 0.00 70.33 69.99 3fjk n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fjk n GLY 62 N 0.78 1.33 3.88 3.38 0.00 0.42 -4.99 105.19 109.99 3fjk n GLY 62 Ca 0.06 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 3fjk n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fjk s GLN 63 N -3.01 3.78 -0.10 1.61 -0.21 -1.25 -4.75 119.66 115.73 3fjk s GLN 63 Ca 0.00 0.22 -0.06 0.00 0.02 0.00 0.00 55.36 55.54 3fjk s GLN 63 Cb 0.00 -2.70 -0.04 0.00 1.00 0.00 0.00 33.01 31.27 3fjk s GLN 63 CO 0.00 0.36 0.15 0.71 -2.12 0.00 0.00 175.29 174.38 3fjk s TYR 64 N -1.76 3.59 0.33 0.91 1.51 0.16 -0.06 117.35 122.04 3fjk s TYR 64 Ca 0.45 0.50 -0.29 0.00 -1.01 0.00 0.00 57.07 56.73 3fjk s TYR 64 Cb -0.12 -1.92 -0.10 0.00 -0.11 0.00 0.00 41.96 39.71 3fjk s TYR 64 CO 0.22 0.72 1.37 -1.17 -1.11 0.00 0.00 175.55 175.58 3fjk s LEU 65 N -1.20 4.39 -0.01 -1.29 2.96 0.63 0.13 118.68 124.29 3fjk s LEU 65 Ca 0.17 2.78 -0.09 0.00 -0.22 0.00 0.00 54.13 56.77 3fjk s LEU 65 Cb -0.12 -3.65 0.01 0.00 0.50 0.00 0.00 46.19 42.93 3fjk s LEU 65 CO 0.07 -0.65 0.19 0.00 -1.32 0.00 0.00 176.35 174.64 3fjk s MET 67 N -1.21 2.28 0.94 0.00 1.75 -0.94 -1.05 119.30 121.09 3fjk s MET 67 Ca -0.13 -0.57 -0.15 0.00 -1.25 0.00 0.00 55.69 53.59 3fjk s MET 67 Cb -0.06 -1.98 0.18 0.00 2.84 0.00 0.00 34.83 35.80 3fjk s MET 67 CO 0.02 -0.11 1.27 0.16 -0.65 0.00 0.00 175.02 175.71 3fjk s ASP 68 N 1.13 3.29 0.00 1.11 1.47 0.64 -4.87 116.67 119.45 3fjk s ASP 68 Ca -0.03 0.42 0.04 0.00 1.18 0.00 0.00 52.55 54.16 3fjk s ASP 68 Cb -0.14 -0.59 0.18 0.00 -0.34 0.00 0.00 42.92 42.02 3fjk s ASP 68 CO -0.04 -2.64 1.12 1.07 0.68 0.00 0.00 175.17 175.36 3fjk n THR 69 N -3.73 1.68 0.41 2.11 5.66 -1.26 -0.14 114.28 119.01 3fjk n THR 69 Ca 0.13 0.42 0.11 0.00 -3.05 0.00 0.00 64.05 61.66 3fjk n THR 69 Cb 0.60 -1.35 0.17 0.00 -1.55 0.00 0.00 70.33 68.20 3fjk n THR 69 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3fjk n ASP 70 N -1.49 3.18 0.00 1.09 8.00 -1.26 -4.96 116.55 121.11 3fjk n ASP 70 Ca 0.01 -1.94 0.00 0.00 0.71 0.00 0.00 54.79 53.57 3fjk n ASP 70 Cb 0.05 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 3fjk n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fjk n GLY 71 N 1.31 0.65 3.82 0.44 0.00 0.81 -4.53 105.19 107.67 3fjk n GLY 71 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3fjk n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fjk s LEU 72 N 0.00 4.47 0.13 0.99 1.43 -1.25 -0.33 118.68 124.12 3fjk s LEU 72 Ca 0.00 1.04 -0.15 0.00 -1.03 0.00 0.00 54.13 53.99 3fjk s LEU 72 Cb 0.00 -2.69 -0.07 0.00 0.03 0.00 0.00 46.19 43.46 3fjk s LEU 72 CO 0.00 0.28 0.55 -0.76 0.23 0.00 0.00 176.35 176.65 3fjk s LEU 73 N -0.91 4.37 0.14 1.79 1.43 -1.26 -0.26 118.68 123.98 3fjk s LEU 73 Ca 0.26 1.12 -0.24 0.00 -1.03 0.00 0.00 54.13 54.23 3fjk s LEU 73 Cb -0.17 -3.19 0.07 0.00 0.03 0.00 0.00 46.19 42.92 3fjk s LEU 73 CO 0.15 0.14 0.62 -0.72 0.23 0.00 0.00 176.35 176.77 3fjk s TYR 74 N -1.40 -0.53 -0.19 0.29 1.13 -0.21 -4.45 117.35 111.98 3fjk s TYR 74 Ca 0.36 0.37 -0.26 0.00 -1.41 0.00 0.00 57.07 56.13 3fjk s TYR 74 Cb -0.16 0.55 -0.01 0.00 -1.10 0.00 0.00 41.96 41.24 3fjk s TYR 74 CO 0.19 -0.82 0.87 0.20 -2.51 0.00 0.00 175.55 173.48 3fjk s GLY 75 N -2.64 1.98 0.03 5.49 0.00 0.62 -1.47 107.32 111.33 3fjk s GLY 75 Ca 0.01 0.03 0.03 0.00 0.00 0.00 0.00 44.72 44.78 3fjk s GLY 75 CO -0.11 1.78 -0.01 -0.45 0.00 0.00 0.00 173.10 174.31 3fjk s SER 76 N 1.21 5.03 0.40 1.64 0.15 0.12 -4.79 113.70 117.46 3fjk s SER 76 Ca 0.39 -0.08 0.21 0.00 0.70 0.00 0.00 55.95 57.17 3fjk s SER 76 Cb -0.16 -1.26 0.30 0.00 -1.71 0.00 0.00 66.02 63.18 3fjk s SER 76 CO 0.11 0.25 1.58 1.56 1.20 0.00 0.00 173.24 177.93 3fjk h GLN 77 N 4.08 0.00 -6.60 5.44 1.08 -1.88 0.46 115.11 117.69 3fjk h GLN 77 Ca -0.48 0.00 -0.70 0.00 -1.45 0.00 0.00 58.65 56.02 3fjk h GLN 77 Cb 1.17 0.00 -0.29 0.00 -0.05 0.00 0.00 27.48 28.31 3fjk h GLN 77 CO 0.58 0.14 -0.88 0.95 -0.95 0.00 0.00 178.83 178.67 3fjk s THR 78 N -3.16 2.14 -1.43 -0.54 -4.23 -1.26 -4.82 115.64 102.34 3fjk s THR 78 Ca 0.06 -1.10 -0.14 0.00 -1.18 0.00 0.00 61.69 59.32 3fjk s THR 78 Cb 0.06 -1.75 0.03 0.00 1.34 0.00 0.00 72.50 72.18 3fjk s THR 78 CO 0.69 0.56 2.23 -0.81 -0.54 0.00 0.00 174.62 176.75 3fjk n PRO 79 N 2.37 2.80 -1.45 3.99 -0.04 -1.26 -4.88 135.00 136.53 3fjk n PRO 79 Ca -0.16 -2.56 -0.30 0.00 -0.04 0.00 0.00 63.50 60.44 3fjk n PRO 79 Cb 0.51 -3.27 0.23 0.00 -0.04 0.00 0.00 33.50 30.94 3fjk n PRO 79 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3fjk n ASN 80 N 6.12 -1.10 0.34 3.54 0.23 -1.26 -4.83 115.26 118.30 3fjk n ASN 80 Ca 0.52 -1.32 0.21 0.00 -0.53 0.00 0.00 54.58 53.46 3fjk n ASN 80 Cb 0.39 -1.02 1.12 0.00 -2.08 0.00 0.00 39.78 38.18 3fjk n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3fjk h GLU 81 N 0.00 0.00 -0.02 -3.83 4.11 -1.99 0.15 114.58 113.01 3fjk h GLU 81 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 3fjk h GLU 81 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3fjk h GLU 81 CO 0.29 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.76 3fjk n GLU 82 N -3.06 1.46 0.00 1.06 1.02 -1.26 -3.44 120.64 116.41 3fjk n GLU 82 Ca -0.03 -0.67 0.09 0.00 -0.02 0.00 0.00 57.16 56.54 3fjk n GLU 82 Cb 0.15 -1.48 0.02 0.00 -0.02 0.00 0.00 31.44 30.11 3fjk n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fjk s LEU 84 N -2.06 4.18 0.02 0.00 0.20 -1.22 -4.49 118.68 115.31 3fjk s LEU 84 Ca 0.17 1.11 0.08 0.00 0.69 0.00 0.00 54.13 56.18 3fjk s LEU 84 Cb 0.15 -3.15 -0.02 0.00 -0.43 0.00 0.00 46.19 42.74 3fjk s LEU 84 CO 0.41 -0.35 -0.25 -0.36 -0.29 0.00 0.00 176.35 175.52 3fjk s PHE 85 N 1.97 2.20 -0.38 5.38 0.08 0.27 -1.46 117.98 126.04 3fjk s PHE 85 Ca 0.36 -0.41 -0.22 0.00 0.12 0.00 0.00 56.93 56.78 3fjk s PHE 85 Cb -0.17 -1.36 0.01 0.00 -0.57 0.00 0.00 43.02 40.93 3fjk s PHE 85 CO 0.13 0.05 0.72 -0.51 -0.10 0.00 0.00 175.22 175.51 3fjk s LEU 86 N -0.94 4.22 -0.22 -0.37 1.43 0.10 0.62 118.68 123.53 3fjk s LEU 86 Ca 0.10 0.15 -0.20 0.00 -1.03 0.00 0.00 54.13 53.15 3fjk s LEU 86 Cb -0.10 -2.91 -0.02 0.00 0.03 0.00 0.00 46.19 43.19 3fjk s LEU 86 CO 0.01 -0.72 0.61 -0.70 0.23 0.00 0.00 176.35 175.78 3fjk s GLU 87 N 2.97 4.16 0.03 1.70 2.12 -0.15 -1.33 118.70 128.19 3fjk s GLU 87 Ca 0.28 0.54 0.00 0.00 0.36 0.00 0.00 54.97 56.16 3fjk s GLU 87 Cb -0.13 -3.61 -0.02 0.00 0.26 0.00 0.00 34.13 30.63 3fjk s GLU 87 CO 0.17 -0.30 -0.04 1.03 -0.54 0.00 0.00 175.26 175.59 3fjk s ARG 88 N 2.12 0.37 0.35 4.30 1.81 -0.73 -4.64 118.95 122.52 3fjk s ARG 88 Ca 0.27 -0.68 -0.26 0.00 -1.72 0.00 0.00 55.73 53.33 3fjk s ARG 88 Cb -0.16 0.06 -0.09 0.00 -0.45 0.00 0.00 34.95 34.31 3fjk s ARG 88 CO 0.09 -0.04 1.05 -1.17 -0.68 0.00 0.00 175.30 174.55 3fjk s LEU 89 N -1.60 4.30 -0.01 2.53 2.96 0.53 -0.65 118.68 126.74 3fjk s LEU 89 Ca -0.13 2.09 0.02 0.00 -0.22 0.00 0.00 54.13 55.88 3fjk s LEU 89 Cb -0.09 -3.98 -0.00 0.00 0.50 0.00 0.00 46.19 42.63 3fjk s LEU 89 CO -0.02 -0.32 -0.07 -0.70 -1.32 0.00 0.00 176.35 173.93 3fjk s GLU 90 N -2.08 0.58 -1.30 1.98 2.56 0.18 -4.81 118.70 115.82 3fjk s GLU 90 Ca 0.52 -0.23 -0.03 0.00 0.00 0.00 0.00 54.97 55.23 3fjk s GLU 90 Cb -0.25 -0.56 0.02 0.00 2.00 0.00 0.00 34.13 35.34 3fjk s GLU 90 CO 0.31 0.13 0.24 0.39 -0.56 0.00 0.00 175.26 175.77 3fjk n GLU 91 N 3.02 -2.95 -0.10 4.30 1.02 -1.26 -1.44 120.64 123.23 3fjk n GLU 91 Ca -0.14 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 3fjk n GLU 91 Cb 0.57 -5.36 0.00 0.00 -0.02 0.00 0.00 31.44 26.63 3fjk n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3fjk n ASN 92 N -2.09 0.00 0.00 1.62 4.13 -1.26 -4.53 115.26 113.13 3fjk n ASN 92 Ca -0.12 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.14 3fjk n ASN 92 Cb 0.60 -1.25 0.00 0.00 -1.54 0.00 0.00 39.78 37.59 3fjk n ASN 92 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3fjk n HIS 93 N -2.00 0.00 -2.99 3.10 1.44 -0.88 -5.11 115.22 108.78 3fjk n HIS 93 Ca 0.00 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.53 3fjk n HIS 93 Cb 0.00 0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.13 3fjk n HIS 93 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 3fjk s TYR 94 N 0.00 2.69 -0.09 -1.40 4.12 -0.52 -4.92 117.35 117.23 3fjk s TYR 94 Ca 0.00 -0.40 0.04 0.00 0.02 0.00 0.00 57.07 56.73 3fjk s TYR 94 Cb 0.00 -2.39 -0.01 0.00 -1.52 0.00 0.00 41.96 38.04 3fjk s TYR 94 CO 0.00 -0.52 -0.22 -0.80 0.02 0.00 0.00 175.55 174.03 3fjk s ASN 95 N -4.38 3.25 0.27 2.29 -0.87 0.98 -0.65 114.94 115.84 3fjk s ASN 95 Ca 0.56 -0.50 0.09 0.00 -1.57 0.00 0.00 52.86 51.45 3fjk s ASN 95 Cb -0.10 -1.22 -0.05 0.00 -0.02 0.00 0.00 41.25 39.86 3fjk s ASN 95 CO 0.34 0.20 -0.14 0.42 -2.57 0.00 0.00 177.10 175.35 3fjk s THR 96 N 0.12 2.10 -0.13 1.60 -4.23 0.17 -0.28 115.64 114.99 3fjk s THR 96 Ca -0.11 -2.27 -0.02 0.00 -1.18 0.00 0.00 61.69 58.11 3fjk s THR 96 Cb -0.16 -2.34 0.04 0.00 1.34 0.00 0.00 72.50 71.39 3fjk s THR 96 CO 0.06 -0.39 0.03 -0.31 -0.54 0.00 0.00 174.62 173.47 3fjk s TYR 97 N -2.74 0.73 -0.12 3.99 2.02 -1.26 -1.78 117.35 118.20 3fjk s TYR 97 Ca 0.29 -0.42 -0.04 0.00 -0.37 0.00 0.00 57.07 56.53 3fjk s TYR 97 Cb -0.01 -0.86 -0.03 0.00 -0.40 0.00 0.00 41.96 40.65 3fjk s TYR 97 CO 0.13 -0.45 0.03 0.42 -1.57 0.00 0.00 175.55 174.11 3fjk s ILE 98 N 1.95 4.50 0.08 2.71 1.01 -0.45 -0.81 121.20 130.20 3fjk s ILE 98 Ca 0.02 -0.16 -0.31 0.00 0.00 0.00 0.00 60.65 60.20 3fjk s ILE 98 Cb -0.14 -2.94 -0.10 0.00 0.01 0.00 0.00 42.46 39.28 3fjk s ILE 98 CO -0.07 0.56 1.88 -0.24 0.00 0.00 0.00 174.94 177.08 3fjk n SER 99 N 2.58 4.01 -0.08 3.58 2.88 0.21 0.03 113.62 126.82 3fjk n SER 99 Ca -0.18 0.96 -0.13 0.00 -1.33 0.00 0.00 58.87 58.19 3fjk n SER 99 Cb 0.53 -1.52 -0.05 0.00 -0.75 0.00 0.00 64.21 62.42 3fjk n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3fjk h LYS 100 N 9.21 0.54 -0.74 -1.46 3.64 -1.57 0.32 116.57 126.51 3fjk h LYS 100 Ca -0.48 -0.27 0.09 0.00 -1.27 0.00 0.00 60.65 58.72 3fjk h LYS 100 Cb 1.23 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.01 3fjk h LYS 100 CO 0.94 0.85 0.49 -0.22 -2.27 0.00 0.00 179.45 179.24 3fjk h LYS 101 N 0.25 0.67 -0.24 1.90 3.64 -1.77 -2.29 116.57 118.73 3fjk h LYS 101 Ca 0.04 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 3fjk h LYS 101 Cb 0.73 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 3fjk h LYS 101 CO 0.05 0.44 -0.07 0.72 -2.27 0.00 0.00 179.45 178.33 3fjk n HIS 102 N -4.49 0.78 -0.28 1.91 8.25 -1.15 -4.74 115.22 115.49 3fjk n HIS 102 Ca 0.12 -1.23 0.18 0.00 -0.26 0.00 0.00 57.72 56.52 3fjk n HIS 102 Cb 0.30 -0.36 0.46 0.00 1.12 0.00 0.00 29.99 31.51 3fjk n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fjk h ALA 103 N 1.13 2.06 0.00 -1.41 0.00 0.25 0.36 119.26 121.64 3fjk h ALA 103 Ca 0.09 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3fjk h ALA 103 Cb 1.43 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3fjk h ALA 103 CO 0.24 -0.38 0.00 1.05 0.00 0.00 0.00 179.25 180.16 3fjk h GLU 104 N 0.51 0.00 -0.02 0.00 9.09 -1.85 -0.54 114.58 121.77 3fjk h GLU 104 Ca 0.51 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.92 3fjk h GLU 104 Cb 1.12 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.22 3fjk h GLU 104 CO -0.24 0.00 -0.01 1.63 0.05 0.00 0.00 179.01 180.44 3fjk n LYS 105 N -3.03 2.02 -3.20 1.06 5.02 0.10 -4.97 118.16 115.16 3fjk n LYS 105 Ca -0.00 -1.49 -0.15 0.00 -2.02 0.00 0.00 58.31 54.65 3fjk n LYS 105 Cb 0.25 -1.47 0.07 0.00 -0.02 0.00 0.00 35.03 33.86 3fjk n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3fjk n ASN 106 N 0.81 -5.22 -4.48 4.39 4.13 -0.21 -4.96 115.26 109.72 3fjk n ASN 106 Ca 0.16 -0.65 -0.40 0.00 1.68 0.00 0.00 54.58 55.38 3fjk n ASN 106 Cb 0.49 -4.92 -0.11 0.00 -1.54 0.00 0.00 39.78 33.70 3fjk n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3fjk s TRP 107 N -3.36 3.21 0.36 3.10 0.52 -1.24 -4.48 118.94 117.06 3fjk s TRP 107 Ca 0.32 -0.42 0.07 0.00 0.02 0.00 0.00 56.10 56.08 3fjk s TRP 107 Cb -0.04 -2.43 -0.01 0.00 -1.15 0.00 0.00 33.47 29.83 3fjk s TRP 107 CO 0.69 -0.43 0.44 -0.06 0.02 0.00 0.00 176.95 177.61 3fjk s PHE 108 N 1.67 2.95 0.12 -1.98 0.40 -1.26 -0.62 117.98 119.26 3fjk s PHE 108 Ca 0.05 -0.31 -0.22 0.00 -0.60 0.00 0.00 56.93 55.85 3fjk s PHE 108 Cb -0.17 -2.05 -0.07 0.00 0.51 0.00 0.00 43.02 41.23 3fjk s PHE 108 CO 0.09 -0.06 0.68 0.08 0.70 0.00 0.00 175.22 176.70 3fjk s VAL 109 N -2.28 4.55 -0.24 -0.44 1.01 0.01 -4.62 120.40 118.39 3fjk s VAL 109 Ca 0.46 1.46 -0.27 0.00 0.00 0.00 0.00 61.98 63.64 3fjk s VAL 109 Cb -0.08 -4.02 0.12 0.00 0.00 0.00 0.00 36.38 32.41 3fjk s VAL 109 CO 0.30 0.53 1.02 -0.83 0.00 0.00 0.00 175.10 176.12 3fjk s GLY 110 N -1.15 -0.19 -0.13 4.51 0.00 -1.26 -4.43 107.32 104.68 3fjk s GLY 110 Ca 0.33 2.47 0.00 0.00 0.00 0.00 0.00 44.72 47.52 3fjk s GLY 110 CO 0.23 1.59 -0.13 1.08 0.00 0.00 0.00 173.10 175.86 3fjk s LEU 111 N -0.19 2.70 0.77 0.66 1.43 -0.79 -0.41 118.68 122.85 3fjk s LEU 111 Ca 0.02 -0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 52.67 3fjk s LEU 111 Cb -0.04 -1.60 0.05 0.00 0.03 0.00 0.00 46.19 44.63 3fjk s LEU 111 CO -0.04 0.17 1.09 -0.54 0.23 0.00 0.00 176.35 177.26 3fjk s LYS 112 N 0.33 2.33 0.64 1.70 1.02 0.15 -4.51 119.74 121.41 3fjk s LYS 112 Ca -0.11 0.74 0.39 0.00 0.02 0.00 0.00 55.97 57.02 3fjk s LYS 112 Cb -0.16 -1.94 2.20 0.00 -0.52 0.00 0.00 37.83 37.41 3fjk s LYS 112 CO 0.06 -1.47 2.31 0.87 -0.92 0.00 0.00 175.35 176.20 3fjk h LYS 113 N -0.98 0.00 -0.49 1.68 1.57 -1.88 -0.88 116.57 115.59 3fjk h LYS 113 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3fjk h LYS 113 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3fjk h LYS 113 CO 0.58 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.73 3fjk n ASN 114 N -3.31 2.67 0.00 0.86 6.94 -1.26 -4.67 115.26 116.49 3fjk n ASN 114 Ca -0.03 -1.99 0.00 0.00 -0.02 0.00 0.00 54.58 52.54 3fjk n ASN 114 Cb 0.10 -0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.20 3fjk n ASN 114 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3fjk n GLY 115 N 1.30 1.06 3.88 4.83 0.00 -0.33 -4.99 105.19 110.94 3fjk n GLY 115 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3fjk n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fjk s SER 116 N -3.07 6.59 0.31 1.61 1.04 -1.26 0.48 113.70 119.41 3fjk s SER 116 Ca 0.00 0.94 -0.29 0.00 0.48 0.00 0.00 55.95 57.09 3fjk s SER 116 Cb 0.00 -2.24 -0.10 0.00 0.10 0.00 0.00 66.02 63.79 3fjk s SER 116 CO 0.00 -0.15 1.17 0.00 0.98 0.00 0.00 173.24 175.24 3fjk s LYS 118 N -1.66 4.20 -0.03 0.00 1.02 0.46 -4.83 119.74 118.89 3fjk s LYS 118 Ca 0.47 0.91 -0.18 0.00 0.02 0.00 0.00 55.97 57.20 3fjk s LYS 118 Cb -0.34 -2.54 -0.05 0.00 -0.52 0.00 0.00 37.83 34.38 3fjk s LYS 118 CO 0.45 0.19 0.49 0.50 -0.92 0.00 0.00 175.35 176.06 3fjk s ARG 119 N -2.64 4.18 0.00 1.68 3.52 -1.26 -4.65 118.95 119.78 3fjk s ARG 119 Ca 0.53 0.53 -0.00 0.00 -0.13 0.00 0.00 55.73 56.65 3fjk s ARG 119 Cb -0.13 -3.32 -0.00 0.00 -1.56 0.00 0.00 34.95 29.94 3fjk s ARG 119 CO 0.18 0.44 0.01 0.41 -0.81 0.00 0.00 175.30 175.53 3fjk n GLY 120 N 2.43 -0.04 0.26 8.12 0.00 0.55 0.24 105.19 116.74 3fjk n GLY 120 Ca -0.10 0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.08 3fjk n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fjk h PRO 121 N 0.00 0.00 -0.01 1.61 0.11 -1.86 -0.45 132.00 131.39 3fjk h PRO 121 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3fjk h PRO 121 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3fjk h PRO 121 CO -0.00 0.00 -0.05 0.54 -0.21 0.00 0.00 178.00 178.28 3fjk n ARG 122 N -2.64 1.48 -4.00 1.05 5.12 0.65 -4.89 116.66 113.42 3fjk n ARG 122 Ca -0.02 -0.83 -0.22 0.00 -1.93 0.00 0.00 57.85 54.85 3fjk n ARG 122 Cb 0.15 -1.48 -0.05 0.00 -1.16 0.00 0.00 32.46 29.92 3fjk n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3fjk s THR 123 N -2.10 3.67 0.00 0.55 -4.23 -0.18 -4.87 115.64 108.48 3fjk s THR 123 Ca 0.36 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 3fjk s THR 123 Cb 0.21 -3.17 0.00 0.00 1.34 0.00 0.00 72.50 70.88 3fjk s THR 123 CO 0.37 -0.24 0.00 0.00 -0.54 0.00 0.00 174.62 174.21 3fjk n HIS 124 N -1.23 0.00 -1.61 3.99 1.44 -1.26 -4.83 115.22 111.73 3fjk n HIS 124 Ca -0.04 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.24 3fjk n HIS 124 Cb 0.59 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.70 3fjk n HIS 124 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3fjk n TYR 125 N -0.07 1.36 0.00 -1.40 4.01 -1.26 -2.72 117.16 117.07 3fjk n TYR 125 Ca 0.00 0.64 0.00 0.00 -0.16 0.00 0.00 57.90 58.38 3fjk n TYR 125 Cb 0.00 -2.26 0.00 0.00 -0.31 0.00 0.00 39.34 36.77 3fjk n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fjk n GLY 126 N 1.15 3.13 3.81 2.72 0.00 -1.26 -5.07 105.19 109.66 3fjk n GLY 126 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 3fjk n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fjk s GLN 127 N -0.70 4.34 0.45 1.61 -0.21 -1.10 -4.97 119.66 119.07 3fjk s GLN 127 Ca 0.00 1.09 0.26 0.00 0.02 0.00 0.00 55.36 56.72 3fjk s GLN 127 Cb 0.00 -2.60 0.60 0.00 1.00 0.00 0.00 33.01 32.01 3fjk s GLN 127 CO 0.00 0.21 1.70 0.87 -2.12 0.00 0.00 175.29 175.95 3fjk h LYS 128 N 2.77 0.00 0.00 2.91 1.79 -1.97 -3.26 116.57 118.80 3fjk h LYS 128 Ca -0.48 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 57.94 3fjk h LYS 128 Cb 1.19 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.83 3fjk h LYS 128 CO 0.64 0.00 -0.25 0.00 -1.08 0.00 0.00 179.45 178.76 3fjk h ALA 129 N 2.03 1.18 -0.01 3.86 0.00 -1.94 -2.93 119.26 121.45 3fjk h ALA 129 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3fjk h ALA 129 Cb 0.87 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3fjk h ALA 129 CO 0.00 0.31 -0.21 0.44 0.00 0.00 0.00 179.25 179.79 3fjk n ILE 130 N -3.64 0.00 -2.97 0.00 -5.35 -1.23 -1.89 119.36 104.27 3fjk n ILE 130 Ca -0.01 -0.12 -0.42 0.00 -0.27 0.00 0.00 62.75 61.93 3fjk n ILE 130 Cb 0.37 0.28 -0.05 0.00 -1.74 0.00 0.00 39.64 38.50 3fjk n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3fjk s LEU 131 N -2.47 4.18 0.13 7.28 1.43 -1.10 -4.39 118.68 123.73 3fjk s LEU 131 Ca 0.26 0.19 0.09 0.00 -1.03 0.00 0.00 54.13 53.64 3fjk s LEU 131 Cb 0.19 -2.98 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 3fjk s LEU 131 CO 0.50 -0.77 -0.16 -0.36 0.23 0.00 0.00 176.35 175.79 3fjk s PHE 132 N 3.12 2.57 -0.18 0.29 0.40 0.61 -3.71 117.98 121.08 3fjk s PHE 132 Ca 0.30 -0.25 0.01 0.00 -0.60 0.00 0.00 56.93 56.39 3fjk s PHE 132 Cb -0.13 -1.33 0.03 0.00 0.51 0.00 0.00 43.02 42.09 3fjk s PHE 132 CO 0.18 0.42 -0.15 -1.17 0.70 0.00 0.00 175.22 175.20 3fjk s LEU 133 N -2.31 2.07 -0.24 -0.37 2.96 0.13 -0.01 118.68 120.91 3fjk s LEU 133 Ca 0.20 -0.68 -0.29 0.00 -0.22 0.00 0.00 54.13 53.14 3fjk s LEU 133 Cb -0.10 -1.33 0.01 0.00 0.50 0.00 0.00 46.19 45.27 3fjk s LEU 133 CO 0.11 -0.06 1.10 -2.16 -1.32 0.00 0.00 176.35 174.03 3fjk s PRO 134 N 1.37 4.20 0.20 0.98 0.04 -1.26 -1.17 135.00 139.37 3fjk s PRO 134 Ca 0.03 1.36 0.09 0.00 0.04 0.00 0.00 61.00 62.52 3fjk s PRO 134 Cb -0.14 -3.69 -0.04 0.00 0.04 0.00 0.00 34.50 30.66 3fjk s PRO 134 CO -0.11 -0.72 -0.07 -0.51 0.04 0.00 0.00 177.00 175.64 3fjk s LEU 135 N 3.40 3.05 0.53 -3.56 1.43 0.03 -4.93 118.68 118.63 3fjk s LEU 135 Ca 0.47 -0.59 -0.20 0.00 -1.03 0.00 0.00 54.13 52.78 3fjk s LEU 135 Cb -0.16 -1.69 -0.06 0.00 0.03 0.00 0.00 46.19 44.31 3fjk s LEU 135 CO 0.10 0.08 1.13 -2.84 0.23 0.00 0.00 176.35 175.05 3fjk s PRO 136 N -3.06 3.44 0.00 1.29 0.02 -1.26 -0.60 135.00 134.83 3fjk s PRO 136 Ca 0.27 1.63 0.30 0.00 0.02 0.00 0.00 61.00 63.22 3fjk s PRO 136 Cb -0.08 -2.08 1.52 0.00 0.02 0.00 0.00 34.50 33.88 3fjk s PRO 136 CO 0.17 -0.78 2.01 1.33 -0.33 0.00 0.00 177.00 179.40