#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 1.68 -2.82 -1.40 7.35 -1.26 -5.03 117.46 115.98 3fjk n PHE 1 Ca 0.00 -2.25 -0.42 0.00 -0.76 0.00 0.00 57.45 54.03 3fjk n PHE 1 Cb 0.00 -0.26 -0.03 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 -3.69 7.08 0.16 -2.13 0.01 -1.26 -5.03 114.94 110.07 3fjk s ASN 2 Ca 0.34 1.32 0.06 0.00 -0.71 0.00 0.00 52.86 53.87 3fjk s ASN 2 Cb 0.36 -2.49 -0.04 0.00 0.41 0.00 0.00 41.25 39.49 3fjk s ASN 2 CO -0.02 -0.39 0.07 -0.76 -1.51 0.00 0.00 177.10 174.49 3fjk s LEU 3 N 1.96 3.59 0.56 0.60 1.43 -1.26 -1.49 118.68 124.07 3fjk s LEU 3 Ca 0.42 -0.23 -0.07 0.00 -1.03 0.00 0.00 54.13 53.23 3fjk s LEU 3 Cb -0.17 -2.23 -0.01 0.00 0.03 0.00 0.00 46.19 43.81 3fjk s LEU 3 CO 0.15 0.09 0.89 -2.16 0.23 0.00 0.00 176.35 175.55 3fjk s PRO 4 N -2.94 3.21 0.72 1.29 0.04 -1.26 -4.58 135.00 131.48 3fjk s PRO 4 Ca 0.29 0.18 -0.12 0.00 0.04 0.00 0.00 61.00 61.39 3fjk s PRO 4 Cb -0.10 -2.27 0.03 0.00 0.04 0.00 0.00 34.50 32.19 3fjk s PRO 4 CO 0.21 -0.53 1.11 -1.25 0.04 0.00 0.00 177.00 176.57 3fjk s PRO 5 N -4.95 2.70 0.00 0.56 0.04 -1.26 -4.97 135.00 127.13 3fjk s PRO 5 Ca 0.52 0.44 0.00 0.00 0.04 0.00 0.00 61.00 62.00 3fjk s PRO 5 Cb -0.11 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.43 3fjk s PRO 5 CO 0.46 -1.14 0.00 0.41 0.04 0.00 0.00 177.00 176.77 3fjk n GLY 6 N -2.96 1.84 1.41 0.56 0.00 -1.26 -5.13 105.19 99.65 3fjk n GLY 6 Ca 0.07 -2.21 -0.09 0.00 0.00 0.00 0.00 46.02 43.79 3fjk n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fjk n ASN 7 N 0.00 -0.01 -0.36 1.61 0.23 -1.26 -5.06 115.26 110.41 3fjk n ASN 7 Ca 0.00 -1.95 0.08 0.00 -0.53 0.00 0.00 54.58 52.18 3fjk n ASN 7 Cb 0.00 0.67 0.16 0.00 -2.08 0.00 0.00 39.78 38.52 3fjk n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3fjk n TYR 8 N -0.30 0.33 -0.30 -2.53 4.01 -1.26 -4.72 117.16 112.39 3fjk n TYR 8 Ca 0.02 -0.85 -0.03 0.00 -0.16 0.00 0.00 57.90 56.88 3fjk n TYR 8 Cb 0.26 -0.18 0.08 0.00 -0.31 0.00 0.00 39.34 39.20 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 0.73 1.04 -6.37 -0.72 1.57 -1.97 -3.45 116.57 107.41 3fjk h LYS 9 Ca 0.00 -0.06 -0.59 0.00 -1.87 0.00 0.00 60.65 58.12 3fjk h LYS 9 Cb 1.04 -0.23 -0.22 0.00 0.08 0.00 0.00 32.23 32.90 3fjk h LYS 9 CO 0.07 0.69 -0.84 0.15 -0.57 0.00 0.00 179.45 178.95 3fjk s LYS 10 N -6.12 1.20 1.28 3.15 -0.14 -1.26 -5.13 119.74 112.72 3fjk s LYS 10 Ca -0.13 -1.22 -0.19 0.00 -1.36 0.00 0.00 55.97 53.07 3fjk s LYS 10 Cb 0.16 -1.53 0.29 0.00 -1.68 0.00 0.00 37.83 35.07 3fjk s LYS 10 CO 0.79 0.36 0.69 -0.35 -0.76 0.00 0.00 175.35 176.07 3fjk n PRO 11 N 1.02 -3.48 -3.99 -1.68 -0.04 -1.26 -4.79 135.00 120.77 3fjk n PRO 11 Ca -0.19 -1.02 -0.11 0.00 -0.04 0.00 0.00 63.50 62.14 3fjk n PRO 11 Cb 0.53 -1.85 -0.03 0.00 -0.04 0.00 0.00 33.50 32.11 3fjk n PRO 11 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3fjk s LYS 12 N -4.39 1.87 -0.07 0.54 -0.14 0.12 -4.20 119.74 113.47 3fjk s LYS 12 Ca 0.60 -1.50 0.05 0.00 -1.36 0.00 0.00 55.97 53.75 3fjk s LYS 12 Cb -0.14 0.50 -0.01 0.00 -1.68 0.00 0.00 37.83 36.50 3fjk s LYS 12 CO 0.55 -0.81 -0.23 -0.51 -0.76 0.00 0.00 175.35 173.59 3fjk s LEU 13 N -3.12 2.16 -0.52 3.17 1.43 0.10 -0.86 118.68 121.04 3fjk s LEU 13 Ca 0.24 -0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 52.70 3fjk s LEU 13 Cb -0.02 -1.41 0.13 0.00 0.03 0.00 0.00 46.19 44.92 3fjk s LEU 13 CO 0.14 0.22 0.46 -0.76 0.23 0.00 0.00 176.35 176.64 3fjk s LEU 14 N -0.02 6.06 -0.07 1.79 1.43 -1.26 0.72 118.68 127.33 3fjk s LEU 14 Ca -0.07 -1.83 -0.13 0.00 -1.03 0.00 0.00 54.13 51.07 3fjk s LEU 14 Cb -0.15 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 43.87 3fjk s LEU 14 CO 0.05 -0.81 0.32 -0.47 0.23 0.00 0.00 176.35 175.66 3fjk s TYR 15 N 1.53 3.63 -0.15 0.29 5.04 -0.40 -1.33 117.35 125.96 3fjk s TYR 15 Ca 0.04 0.79 0.01 0.00 -2.44 0.00 0.00 57.07 55.46 3fjk s TYR 15 Cb -0.29 -2.22 0.02 0.00 0.35 0.00 0.00 41.96 39.82 3fjk s TYR 15 CO 0.02 0.57 -0.17 0.00 -1.34 0.00 0.00 175.55 174.63 3fjk h SER 17 N 7.87 0.00 -0.98 0.00 0.02 -1.85 -0.67 113.55 117.93 3fjk h SER 17 Ca -0.39 0.00 0.30 0.00 -0.84 0.00 0.00 61.79 60.87 3fjk h SER 17 Cb 1.15 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.54 3fjk h SER 17 CO 0.56 0.04 0.49 -1.13 -1.14 0.00 0.00 176.83 175.65 3fjk h ASN 18 N 0.00 0.39 0.00 3.07 -1.24 -1.86 -2.95 115.58 112.99 3fjk h ASN 18 Ca -0.00 0.20 0.00 0.00 0.71 0.00 0.00 56.30 57.20 3fjk h ASN 18 Cb 0.61 0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.84 3fjk h ASN 18 CO 0.01 -0.15 0.00 0.61 -1.29 0.00 0.00 177.43 176.61 3fjk n GLY 19 N -1.31 -2.30 2.38 1.57 0.00 -1.24 -4.68 105.19 99.61 3fjk n GLY 19 Ca 0.30 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 0.10 3.72 -0.02 0.00 -0.39 -4.98 105.19 103.62 3fjk n GLY 20 Ca 0.00 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.17 2.62 -0.19 1.61 3.76 -0.44 -4.53 115.29 114.95 3fjk s HIS 21 Ca 0.13 -0.52 -0.01 0.00 -0.15 0.00 0.00 55.06 54.51 3fjk s HIS 21 Cb -0.06 -1.80 0.00 0.00 1.11 0.00 0.00 32.58 31.83 3fjk s HIS 21 CO 0.37 0.27 -0.13 -0.06 -0.85 0.00 0.00 174.74 174.35 3fjk s PHE 22 N -2.55 2.85 0.27 1.40 0.08 -0.46 -0.17 117.98 119.39 3fjk s PHE 22 Ca 0.39 -1.20 -0.29 0.00 0.12 0.00 0.00 56.93 55.95 3fjk s PHE 22 Cb 0.02 -1.98 -0.14 0.00 -0.57 0.00 0.00 43.02 40.35 3fjk s PHE 22 CO 0.22 -0.61 1.12 -0.11 -0.10 0.00 0.00 175.22 175.74 3fjk n LEU 23 N 4.51 2.15 -4.05 -0.37 7.94 -0.45 -2.29 117.00 124.44 3fjk n LEU 23 Ca -0.19 1.17 -0.17 0.00 -1.11 0.00 0.00 56.01 55.71 3fjk n LEU 23 Cb 0.51 -1.32 -0.13 0.00 0.53 0.00 0.00 43.42 43.01 3fjk n LEU 23 CO 0.28 -1.14 -0.42 -0.60 -1.11 0.00 0.00 177.39 174.39 3fjk s ARG 24 N -1.24 0.65 -0.42 1.96 3.52 0.47 -4.53 118.95 119.36 3fjk s ARG 24 Ca 0.62 -0.52 0.03 0.00 -0.13 0.00 0.00 55.73 55.73 3fjk s ARG 24 Cb -0.70 -0.58 0.12 0.00 -1.56 0.00 0.00 34.95 32.22 3fjk s ARG 24 CO 0.58 0.14 0.16 0.42 -0.81 0.00 0.00 175.30 175.79 3fjk s ILE 25 N -0.67 2.23 1.04 4.11 1.01 -1.03 -1.60 121.20 126.29 3fjk s ILE 25 Ca -0.01 -2.70 -0.12 0.00 0.00 0.00 0.00 60.65 57.82 3fjk s ILE 25 Cb -0.06 -2.60 0.21 0.00 0.01 0.00 0.00 42.46 40.02 3fjk s ILE 25 CO 0.00 -0.71 1.08 -0.76 0.00 0.00 0.00 174.94 174.55 3fjk s LEU 26 N 0.41 1.74 0.36 2.97 1.43 0.69 -4.85 118.68 121.43 3fjk s LEU 26 Ca 0.14 1.75 0.07 0.00 -1.03 0.00 0.00 54.13 55.05 3fjk s LEU 26 Cb -0.22 -3.89 0.70 0.00 0.03 0.00 0.00 46.19 42.81 3fjk s LEU 26 CO -0.05 -3.60 1.91 -0.65 0.23 0.00 0.00 176.35 174.19 3fjk h PRO 27 N -2.21 0.41 -0.33 1.29 0.11 -1.98 -2.74 132.00 126.56 3fjk h PRO 27 Ca -0.53 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.49 3fjk h PRO 27 Cb 1.30 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3fjk h PRO 27 CO 0.48 0.46 0.00 -0.40 -0.21 0.00 0.00 178.00 178.33 3fjk n ASP 28 N -4.30 0.58 0.00 -2.05 5.68 -1.26 -4.83 116.55 110.37 3fjk n ASP 28 Ca 0.01 -2.02 0.00 0.00 -0.50 0.00 0.00 54.79 52.28 3fjk n ASP 28 Cb 0.24 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 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 0.41 1.73 3.74 6.12 0.00 -1.03 -4.99 105.19 111.17 3fjk n GLY 29 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.33 2.47 -0.14 2.61 2.01 -1.26 -1.04 115.64 117.95 3fjk s THR 30 Ca 0.00 0.38 0.02 0.00 0.31 0.00 0.00 61.69 62.40 3fjk s THR 30 Cb 0.00 -3.24 0.01 0.00 0.01 0.00 0.00 72.50 69.27 3fjk s THR 30 CO 0.00 0.05 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.08 3fjk s VAL 31 N 0.30 2.16 0.00 3.82 1.01 -1.26 -0.22 120.40 126.20 3fjk s VAL 31 Ca 0.63 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.67 3fjk s VAL 31 Cb -0.44 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.07 3fjk s VAL 31 CO 0.41 0.54 0.00 -0.90 0.00 0.00 0.00 175.10 175.16 3fjk n ASP 32 N 4.07 0.00 -4.14 3.32 5.68 -0.63 -4.41 116.55 120.45 3fjk n ASP 32 Ca -0.20 -0.07 -0.17 0.00 -0.50 0.00 0.00 54.79 53.85 3fjk n ASP 32 Cb 0.52 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.38 3fjk n ASP 32 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3fjk s GLY 33 N -0.07 0.76 0.05 6.12 0.00 -0.51 0.18 107.32 113.85 3fjk s GLY 33 Ca 0.00 -0.91 0.03 0.00 0.00 0.00 0.00 44.72 43.84 3fjk s GLY 33 CO 0.00 -0.93 -0.09 -1.08 0.00 0.00 0.00 173.10 171.00 3fjk s THR 34 N -1.22 0.63 -0.85 0.90 -1.32 -0.97 -4.77 115.64 108.03 3fjk s THR 34 Ca -0.03 -1.13 0.26 0.00 -1.21 0.00 0.00 61.69 59.57 3fjk s THR 34 Cb -0.10 -0.70 0.11 0.00 -1.51 0.00 0.00 72.50 70.31 3fjk s THR 34 CO 0.02 -0.37 1.54 0.54 -2.21 0.00 0.00 174.62 174.14 3fjk n ARG 35 N 1.41 0.13 -1.95 7.08 1.74 -1.26 -1.36 116.66 122.45 3fjk n ARG 35 Ca -0.22 0.06 -0.38 0.00 -0.77 0.00 0.00 57.85 56.53 3fjk n ARG 35 Cb 0.55 -1.60 -0.03 0.00 -1.02 0.00 0.00 32.46 30.36 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 -3.60 5.15 0.34 0.55 2.15 -1.26 -4.82 116.67 115.18 3fjk s ASP 36 Ca 0.10 0.52 0.25 0.00 0.43 0.00 0.00 52.55 53.85 3fjk s ASP 36 Cb 0.16 -2.52 1.20 0.00 -0.30 0.00 0.00 42.92 41.45 3fjk s ASP 36 CO 0.66 -2.44 1.76 -0.09 -0.17 0.00 0.00 175.17 174.88 3fjk h ARG 37 N 15.70 0.00 -0.01 4.34 2.43 -2.00 -1.75 114.38 133.10 3fjk h ARG 37 Ca -0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 3fjk h ARG 37 Cb 1.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3fjk h ARG 37 CO 1.20 0.00 -0.23 -1.13 -1.51 0.00 0.00 179.97 178.30 3fjk n SER 38 N -2.37 0.97 -4.71 -3.80 3.41 -1.26 -4.92 113.62 100.94 3fjk n SER 38 Ca 0.00 -0.87 -0.43 0.00 -0.26 0.00 0.00 58.87 57.31 3fjk n SER 38 Cb 0.14 0.10 -0.01 0.00 -0.26 0.00 0.00 64.21 64.18 3fjk n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3fjk n ASP 39 N -0.66 3.10 -0.03 4.04 -0.08 -0.66 -4.90 116.55 117.36 3fjk n ASP 39 Ca 0.13 1.18 0.13 0.00 -1.51 0.00 0.00 54.79 54.72 3fjk n ASP 39 Cb 0.34 -1.51 0.43 0.00 2.34 0.00 0.00 41.12 42.72 3fjk n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3fjk n GLN 40 N 1.18 0.14 -0.38 -0.67 1.13 -1.26 -3.91 117.38 113.60 3fjk n GLN 40 Ca 0.07 -0.06 0.10 0.00 -1.94 0.00 0.00 57.00 55.17 3fjk n GLN 40 Cb 0.35 -1.50 0.29 0.00 0.11 0.00 0.00 30.24 29.50 3fjk n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3fjk n HIS 41 N -1.38 0.97 0.95 1.08 8.25 -1.26 -4.34 115.22 119.49 3fjk n HIS 41 Ca 0.08 -0.53 0.10 0.00 -0.26 0.00 0.00 57.72 57.10 3fjk n HIS 41 Cb 0.33 -0.06 -0.04 0.00 1.12 0.00 0.00 29.99 31.33 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 1.24 0.00 -2.60 1.59 -5.35 -1.25 -2.45 119.36 110.53 3fjk n ILE 42 Ca 0.22 -0.19 -0.43 0.00 -0.27 0.00 0.00 62.75 62.08 3fjk n ILE 42 Cb 0.64 1.17 -0.02 0.00 -1.74 0.00 0.00 39.64 39.69 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 -2.54 3.95 -0.05 6.28 1.11 -1.26 -4.51 119.66 122.63 3fjk s GLN 43 Ca 0.14 0.95 0.04 0.00 0.01 0.00 0.00 55.36 56.50 3fjk s GLN 43 Cb 0.16 -3.80 -0.02 0.00 -1.01 0.00 0.00 33.01 28.34 3fjk s GLN 43 CO 0.63 -1.07 -0.17 -0.51 0.01 0.00 0.00 175.29 174.18 3fjk s LEU 44 N 3.99 2.56 -0.30 2.90 1.43 -0.04 -1.86 118.68 127.36 3fjk s LEU 44 Ca 0.48 -0.28 -0.08 0.00 -1.03 0.00 0.00 54.13 53.22 3fjk s LEU 44 Cb -0.11 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 44.60 3fjk s LEU 44 CO 0.21 0.31 0.10 -1.58 0.23 0.00 0.00 176.35 175.63 3fjk s GLN 45 N -0.54 3.17 0.12 1.70 2.00 0.12 0.12 119.66 126.35 3fjk s GLN 45 Ca 0.07 -0.81 -0.03 0.00 -2.00 0.00 0.00 55.36 52.59 3fjk s GLN 45 Cb -0.11 -3.43 -0.05 0.00 0.80 0.00 0.00 33.01 30.21 3fjk s GLN 45 CO 0.01 -0.43 0.32 -0.51 -0.50 0.00 0.00 175.29 174.18 3fjk s LEU 46 N 1.54 4.30 0.04 3.68 1.02 -1.26 -0.97 118.68 127.03 3fjk s LEU 46 Ca 0.03 0.49 -0.09 0.00 0.02 0.00 0.00 54.13 54.58 3fjk s LEU 46 Cb -0.17 -3.19 0.00 0.00 0.02 0.00 0.00 46.19 42.85 3fjk s LEU 46 CO 0.04 0.09 0.19 -0.94 0.02 0.00 0.00 176.35 175.75 3fjk s SER 47 N -2.44 0.04 0.33 2.29 1.04 -0.70 -4.78 113.70 109.48 3fjk s SER 47 Ca 0.39 -0.38 -0.03 0.00 0.48 0.00 0.00 55.95 56.40 3fjk s SER 47 Cb -0.12 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.24 3fjk s SER 47 CO 0.25 -0.56 0.58 0.00 0.98 0.00 0.00 173.24 174.49 3fjk s ALA 48 N -2.63 3.62 0.00 5.32 0.00 -1.26 -0.14 121.76 126.67 3fjk s ALA 48 Ca -0.05 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.25 3fjk s ALA 48 Cb -0.01 -2.27 0.00 0.00 0.00 0.00 0.00 23.12 20.84 3fjk s ALA 48 CO -0.04 0.09 0.00 -1.91 0.00 0.00 0.00 175.76 173.90 3fjk n GLU 49 N -1.36 0.00 -3.82 0.00 4.07 -0.92 -4.86 120.64 113.75 3fjk n GLU 49 Ca -0.02 0.00 -0.22 0.00 -0.06 0.00 0.00 57.16 56.86 3fjk n GLU 49 Cb 0.55 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.88 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 0.97 5.04 0.12 4.31 0.01 -1.26 -4.98 113.70 117.90 3fjk s SER 50 Ca 0.00 -0.66 -0.33 0.00 1.31 0.00 0.00 55.95 56.27 3fjk s SER 50 Cb 0.00 -0.78 -0.12 0.00 0.21 0.00 0.00 66.02 65.33 3fjk s SER 50 CO 0.00 -0.44 1.74 0.52 0.41 0.00 0.00 173.24 175.47 3fjk n VAL 51 N -1.37 0.22 0.00 3.43 0.31 -1.26 -0.63 118.33 119.04 3fjk n VAL 51 Ca -0.01 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 3fjk n VAL 51 Cb 0.61 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 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 3.94 1.98 3.79 2.92 0.00 -1.26 -5.04 105.19 111.53 3fjk n GLY 52 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.67 3.54 0.06 1.61 2.02 0.20 0.17 118.70 125.63 3fjk s GLU 53 Ca 0.00 -0.22 -0.00 0.00 0.02 0.00 0.00 54.97 54.77 3fjk s GLU 53 Cb 0.00 -3.16 -0.04 0.00 0.10 0.00 0.00 34.13 31.04 3fjk s GLU 53 CO 0.00 0.63 -0.04 0.14 0.02 0.00 0.00 175.26 176.01 3fjk s VAL 54 N -0.62 0.33 -0.08 2.63 -7.23 0.19 -2.16 120.40 113.45 3fjk s VAL 54 Ca 0.12 -1.74 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 3fjk s VAL 54 Cb -0.12 -1.42 -0.03 0.00 0.56 0.00 0.00 36.38 35.38 3fjk s VAL 54 CO 0.02 -0.91 -0.06 -0.31 -0.31 0.00 0.00 175.10 173.54 3fjk s TYR 55 N -3.55 2.98 -0.28 2.82 2.02 0.80 -2.03 117.35 120.11 3fjk s TYR 55 Ca 0.06 0.02 0.01 0.00 -0.37 0.00 0.00 57.07 56.78 3fjk s TYR 55 Cb 0.05 -1.74 0.06 0.00 -0.40 0.00 0.00 41.96 39.93 3fjk s TYR 55 CO -0.08 0.32 -0.06 0.42 -1.57 0.00 0.00 175.55 174.58 3fjk s ILE 56 N -0.72 2.51 -0.07 2.71 1.01 -1.26 -1.73 121.20 123.66 3fjk s ILE 56 Ca 0.11 -1.54 0.04 0.00 0.00 0.00 0.00 60.65 59.26 3fjk s ILE 56 Cb -0.11 -2.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.87 3fjk s ILE 56 CO 0.02 -0.07 -0.19 -0.75 0.00 0.00 0.00 174.94 173.95 3fjk s LYS 57 N 1.16 2.74 0.11 2.79 2.20 -0.14 -0.57 119.74 128.03 3fjk s LYS 57 Ca -0.07 -0.79 -0.31 0.00 -0.36 0.00 0.00 55.97 54.43 3fjk s LYS 57 Cb -0.20 -2.34 -0.08 0.00 -1.51 0.00 0.00 37.83 33.71 3fjk s LYS 57 CO -0.03 0.41 1.40 0.45 -0.36 0.00 0.00 175.35 177.21 3fjk s SER 58 N -0.20 6.82 0.36 1.43 0.15 0.30 0.15 113.70 122.70 3fjk s SER 58 Ca -0.01 2.33 0.23 0.00 0.70 0.00 0.00 55.95 59.20 3fjk s SER 58 Cb -0.13 -2.58 0.36 0.00 -1.71 0.00 0.00 66.02 61.95 3fjk s SER 58 CO 0.03 -0.66 1.54 0.71 1.20 0.00 0.00 173.24 176.06 3fjk h THR 59 N 4.29 0.00 0.21 6.45 1.35 -1.71 -1.97 112.91 121.53 3fjk h THR 59 Ca -0.42 -0.91 -0.34 0.00 -0.55 0.00 0.00 66.41 64.20 3fjk h THR 59 Cb 1.21 1.81 0.02 0.00 -1.73 0.00 0.00 68.15 69.46 3fjk h THR 59 CO 0.87 0.00 -1.59 -0.08 -0.25 0.00 0.00 175.52 174.47 3fjk h GLU 60 N 0.00 0.44 -0.01 4.72 4.57 -1.79 -3.39 114.58 119.13 3fjk h GLU 60 Ca 0.00 -0.75 0.00 0.00 -1.18 0.00 0.00 59.36 57.43 3fjk h GLU 60 Cb 0.95 0.28 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 3fjk h GLU 60 CO 0.00 1.35 -0.10 0.25 -1.18 0.00 0.00 179.01 179.33 3fjk n THR 61 N -3.63 0.00 -0.63 0.32 -2.24 -1.25 -4.99 114.28 101.86 3fjk n THR 61 Ca -0.20 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 3fjk n THR 61 Cb 1.08 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 70.41 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 0.65 1.17 3.77 3.38 0.00 -0.74 -5.00 105.19 108.42 3fjk n GLY 62 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.18 3.40 -0.07 1.61 -0.21 -1.26 -4.69 119.66 118.27 3fjk s GLN 63 Ca 0.00 1.62 -0.04 0.00 0.02 0.00 0.00 55.36 56.96 3fjk s GLN 63 Cb 0.00 -2.04 -0.04 0.00 1.00 0.00 0.00 33.01 31.93 3fjk s GLN 63 CO 0.00 -0.81 0.10 0.71 -2.12 0.00 0.00 175.29 173.17 3fjk s TYR 64 N -1.76 3.42 0.21 0.91 1.51 0.19 -0.54 117.35 121.29 3fjk s TYR 64 Ca 0.72 0.35 -0.30 0.00 -1.01 0.00 0.00 57.07 56.83 3fjk s TYR 64 Cb -0.24 -1.84 -0.08 0.00 -0.11 0.00 0.00 41.96 39.68 3fjk s TYR 64 CO 0.27 0.62 1.12 -1.17 -1.11 0.00 0.00 175.55 175.28 3fjk s LEU 65 N -1.31 4.50 0.14 -1.29 2.96 0.26 -0.95 118.68 122.99 3fjk s LEU 65 Ca 0.18 2.17 0.00 0.00 -0.22 0.00 0.00 54.13 56.27 3fjk s LEU 65 Cb -0.12 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 3fjk s LEU 65 CO 0.08 -0.22 0.01 0.00 -1.32 0.00 0.00 176.35 174.90 3fjk s MET 67 N -3.95 1.44 0.86 0.00 1.75 -0.90 -1.37 119.30 117.12 3fjk s MET 67 Ca 0.21 -0.26 -0.12 0.00 -1.25 0.00 0.00 55.69 54.26 3fjk s MET 67 Cb 0.07 -1.40 0.13 0.00 2.84 0.00 0.00 34.83 36.47 3fjk s MET 67 CO 0.01 -0.15 1.21 0.16 -0.65 0.00 0.00 175.02 175.60 3fjk s ASP 68 N 1.29 3.92 0.00 1.11 1.47 -0.39 -4.87 116.67 119.20 3fjk s ASP 68 Ca -0.03 0.45 0.03 0.00 1.18 0.00 0.00 52.55 54.18 3fjk s ASP 68 Cb -0.14 -0.76 0.13 0.00 -0.34 0.00 0.00 42.92 41.81 3fjk s ASP 68 CO -0.03 -2.23 1.00 0.35 0.68 0.00 0.00 175.17 174.94 3fjk n THR 69 N -3.44 1.47 0.23 2.11 -2.24 -1.26 -0.34 114.28 110.80 3fjk n THR 69 Ca 0.12 0.37 0.09 0.00 -2.27 0.00 0.00 64.05 62.35 3fjk n THR 69 Cb 0.60 -1.32 0.16 0.00 -2.10 0.00 0.00 70.33 67.68 3fjk n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3fjk n ASP 70 N -1.40 3.03 0.00 3.42 8.00 -1.26 -4.96 116.55 123.37 3fjk n ASP 70 Ca 0.01 -1.88 0.00 0.00 0.71 0.00 0.00 54.79 53.63 3fjk n ASP 70 Cb 0.03 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 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 1.10 0.70 3.81 0.44 0.00 0.53 -4.41 105.19 107.36 3fjk n GLY 71 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.26 -0.30 118.68 124.14 3fjk s LEU 72 Ca 0.00 1.07 -0.21 0.00 -1.03 0.00 0.00 54.13 53.96 3fjk s LEU 72 Cb 0.00 -2.73 -0.07 0.00 0.03 0.00 0.00 46.19 43.41 3fjk s LEU 72 CO 0.00 0.26 0.65 -0.76 0.23 0.00 0.00 176.35 176.73 3fjk s LEU 73 N -0.83 4.51 0.13 1.79 1.43 -1.26 -1.26 118.68 123.19 3fjk s LEU 73 Ca 0.26 1.39 -0.16 0.00 -1.03 0.00 0.00 54.13 54.59 3fjk s LEU 73 Cb -0.18 -3.14 0.03 0.00 0.03 0.00 0.00 46.19 42.94 3fjk s LEU 73 CO 0.15 0.21 0.41 -0.72 0.23 0.00 0.00 176.35 176.63 3fjk s TYR 74 N -1.20 -0.18 -0.10 0.29 1.13 -0.47 -4.42 117.35 112.39 3fjk s TYR 74 Ca 0.34 -0.14 -0.08 0.00 -1.41 0.00 0.00 57.07 55.77 3fjk s TYR 74 Cb -0.20 0.27 -0.04 0.00 -1.10 0.00 0.00 41.96 40.88 3fjk s TYR 74 CO 0.22 -0.72 0.18 0.20 -2.51 0.00 0.00 175.55 172.92 3fjk s GLY 75 N -2.81 2.21 -0.02 5.49 0.00 -0.21 -0.87 107.32 111.11 3fjk s GLY 75 Ca 0.04 -0.57 0.07 0.00 0.00 0.00 0.00 44.72 44.26 3fjk s GLY 75 CO -0.11 -0.28 -0.23 -0.45 0.00 0.00 0.00 173.10 172.03 3fjk s SER 76 N -1.01 3.33 0.55 1.64 0.15 -0.13 -4.70 113.70 113.54 3fjk s SER 76 Ca 0.16 -0.42 0.23 0.00 0.70 0.00 0.00 55.95 56.63 3fjk s SER 76 Cb -0.13 -0.47 1.50 0.00 -1.71 0.00 0.00 66.02 65.21 3fjk s SER 76 CO 0.05 0.32 2.14 1.56 1.20 0.00 0.00 173.24 178.51 3fjk h GLN 77 N 5.34 0.00 -4.18 5.44 1.08 -1.89 0.53 115.11 121.44 3fjk h GLN 77 Ca -0.44 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 56.64 3fjk h GLN 77 Cb 1.13 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 28.41 3fjk h GLN 77 CO 0.47 0.00 -0.62 0.95 -0.95 0.00 0.00 178.83 178.69 3fjk s THR 78 N -4.87 0.19 0.54 -0.54 -4.23 -1.26 -4.55 115.64 100.92 3fjk s THR 78 Ca -0.05 -1.70 -0.19 0.00 -1.18 0.00 0.00 61.69 58.57 3fjk s THR 78 Cb 0.17 -1.54 -0.06 0.00 1.34 0.00 0.00 72.50 72.41 3fjk s THR 78 CO 0.63 -0.88 1.09 -2.16 -0.54 0.00 0.00 174.62 172.76 3fjk s PRO 79 N -3.92 3.46 0.00 3.99 0.04 -1.26 -4.74 135.00 132.56 3fjk s PRO 79 Ca 0.08 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.60 3fjk s PRO 79 Cb 0.07 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.58 3fjk s PRO 79 CO -0.09 -0.74 0.00 0.27 0.04 0.00 0.00 177.00 176.48 3fjk n ASN 80 N -1.34 0.08 -1.65 6.66 0.23 -1.26 -5.02 115.26 112.95 3fjk n ASN 80 Ca 0.10 0.00 -0.04 0.00 -0.53 0.00 0.00 54.58 54.12 3fjk n ASN 80 Cb 0.52 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 38.44 3fjk n ASN 80 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3fjk n GLU 81 N 0.00 3.06 -1.77 -3.83 1.02 -1.26 -4.14 120.64 113.71 3fjk n GLU 81 Ca 0.00 -2.22 -0.02 0.00 -0.02 0.00 0.00 57.16 54.89 3fjk n GLU 81 Cb 0.00 -1.97 0.02 0.00 -0.02 0.00 0.00 31.44 29.46 3fjk n GLU 81 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 3fjk n GLU 82 N 0.00 0.57 -0.01 3.49 0.28 -1.26 -4.89 120.64 118.82 3fjk n GLU 82 Ca 0.29 -1.60 0.05 0.00 -0.16 0.00 0.00 57.16 55.74 3fjk n GLU 82 Cb 1.10 0.10 0.05 0.00 1.43 0.00 0.00 31.44 34.11 3fjk n GLU 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3fjk s LEU 84 N -0.82 4.37 0.03 0.00 1.43 -1.26 -4.52 118.68 117.90 3fjk s LEU 84 Ca 0.12 1.10 0.07 0.00 -1.03 0.00 0.00 54.13 54.39 3fjk s LEU 84 Cb 0.08 -2.92 -0.02 0.00 0.03 0.00 0.00 46.19 43.36 3fjk s LEU 84 CO 0.12 0.03 -0.20 -0.36 0.23 0.00 0.00 176.35 176.18 3fjk s PHE 85 N 0.20 1.74 -0.57 0.29 0.08 -0.86 -1.68 117.98 117.17 3fjk s PHE 85 Ca 0.32 -0.36 -0.25 0.00 0.12 0.00 0.00 56.93 56.76 3fjk s PHE 85 Cb -0.17 -1.05 0.04 0.00 -0.57 0.00 0.00 43.02 41.27 3fjk s PHE 85 CO 0.16 0.06 0.99 -0.51 -0.10 0.00 0.00 175.22 175.83 3fjk s LEU 86 N -1.03 3.99 -0.42 -0.37 1.43 0.25 -0.64 118.68 121.88 3fjk s LEU 86 Ca 0.07 -0.33 -0.28 0.00 -1.03 0.00 0.00 54.13 52.56 3fjk s LEU 86 Cb -0.08 -2.84 0.02 0.00 0.03 0.00 0.00 46.19 43.32 3fjk s LEU 86 CO 0.01 -1.30 1.08 -0.70 0.23 0.00 0.00 176.35 175.67 3fjk s GLU 87 N 4.18 3.81 0.11 1.70 2.12 0.13 -1.99 118.70 128.75 3fjk s GLU 87 Ca 0.32 0.66 0.08 0.00 0.36 0.00 0.00 54.97 56.39 3fjk s GLU 87 Cb -0.12 -3.85 -0.04 0.00 0.26 0.00 0.00 34.13 30.38 3fjk s GLU 87 CO 0.19 -1.20 -0.19 1.03 -0.54 0.00 0.00 175.26 174.55 3fjk s ARG 88 N 4.08 1.12 0.47 4.30 1.81 -0.15 -4.67 118.95 125.91 3fjk s ARG 88 Ca 0.45 -1.19 -0.21 0.00 -1.72 0.00 0.00 55.73 53.06 3fjk s ARG 88 Cb -0.09 -1.31 -0.08 0.00 -0.45 0.00 0.00 34.95 33.02 3fjk s ARG 88 CO 0.26 0.29 1.05 -1.17 -0.68 0.00 0.00 175.30 175.05 3fjk s LEU 89 N -2.06 3.92 -0.01 2.53 2.96 -0.55 -0.01 118.68 125.46 3fjk s LEU 89 Ca 0.08 1.98 0.00 0.00 -0.22 0.00 0.00 54.13 55.96 3fjk s LEU 89 Cb -0.09 -4.46 0.01 0.00 0.50 0.00 0.00 46.19 42.15 3fjk s LEU 89 CO 0.04 -0.73 0.01 -0.70 -1.32 0.00 0.00 176.35 173.65 3fjk s GLU 90 N -3.03 0.00 -1.33 1.98 2.56 -0.02 -4.78 118.70 114.07 3fjk s GLU 90 Ca 0.65 0.05 -0.08 0.00 0.00 0.00 0.00 54.97 55.60 3fjk s GLU 90 Cb -0.18 -0.09 0.05 0.00 2.00 0.00 0.00 34.13 35.91 3fjk s GLU 90 CO 0.22 -0.05 0.48 0.39 -0.56 0.00 0.00 175.26 175.75 3fjk n GLU 91 N 3.41 -3.69 -1.77 4.30 1.02 -1.26 -0.72 120.64 121.92 3fjk n GLU 91 Ca -0.17 0.59 -0.16 0.00 -0.02 0.00 0.00 57.16 57.40 3fjk n GLU 91 Cb 0.57 -5.33 -0.05 0.00 -0.02 0.00 0.00 31.44 26.61 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 -2.31 -4.35 0.12 1.62 4.13 -1.26 -4.62 115.26 108.58 3fjk n ASN 92 Ca -0.05 0.30 0.00 0.00 1.68 0.00 0.00 54.58 56.51 3fjk n ASN 92 Cb 0.57 -3.86 0.00 0.00 -1.54 0.00 0.00 39.78 34.95 3fjk n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 3fjk n HIS 93 N -2.57 -2.60 -1.79 3.10 -0.00 0.10 -5.15 115.22 106.32 3fjk n HIS 93 Ca -0.17 0.61 -0.29 0.00 -0.00 0.00 0.00 57.72 57.87 3fjk n HIS 93 Cb 0.56 1.48 0.12 0.00 -0.00 0.00 0.00 29.99 32.16 3fjk n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 3fjk s TYR 94 N -2.00 2.51 -0.08 1.57 1.51 0.06 -4.79 117.35 116.12 3fjk s TYR 94 Ca 0.00 0.69 0.01 0.00 -1.01 0.00 0.00 57.07 56.75 3fjk s TYR 94 Cb 0.00 -3.59 -0.03 0.00 -0.11 0.00 0.00 41.96 38.24 3fjk s TYR 94 CO 0.00 -2.16 -0.09 -0.80 -1.11 0.00 0.00 175.55 171.39 3fjk s ASN 95 N -4.48 4.44 0.12 2.29 -0.87 0.19 -0.84 114.94 115.79 3fjk s ASN 95 Ca 0.65 -0.12 0.09 0.00 -1.57 0.00 0.00 52.86 51.92 3fjk s ASN 95 Cb -0.11 -1.24 -0.04 0.00 -0.02 0.00 0.00 41.25 39.85 3fjk s ASN 95 CO 0.51 0.31 -0.23 0.42 -2.57 0.00 0.00 177.10 175.53 3fjk s THR 96 N -0.48 1.96 -0.21 1.60 -4.23 0.98 -0.69 115.64 114.57 3fjk s THR 96 Ca 0.07 -1.67 0.01 0.00 -1.18 0.00 0.00 61.69 58.92 3fjk s THR 96 Cb -0.12 -1.77 0.05 0.00 1.34 0.00 0.00 72.50 72.00 3fjk s THR 96 CO 0.02 -0.02 -0.07 -0.31 -0.54 0.00 0.00 174.62 173.70 3fjk s TYR 97 N -1.19 2.26 -0.17 3.99 2.02 -1.26 -0.98 117.35 122.03 3fjk s TYR 97 Ca 0.10 -1.57 -0.07 0.00 -0.37 0.00 0.00 57.07 55.17 3fjk s TYR 97 Cb -0.10 -1.55 -0.04 0.00 -0.40 0.00 0.00 41.96 39.88 3fjk s TYR 97 CO 0.05 -0.73 0.05 0.42 -1.57 0.00 0.00 175.55 173.77 3fjk s ILE 98 N 1.44 4.67 -0.00 2.71 1.09 -0.84 -1.24 121.20 129.02 3fjk s ILE 98 Ca -0.03 -0.08 -0.30 0.00 -1.10 0.00 0.00 60.65 59.14 3fjk s ILE 98 Cb -0.17 -3.09 -0.08 0.00 -1.06 0.00 0.00 42.46 38.06 3fjk s ILE 98 CO -0.07 0.48 2.00 -0.55 -0.10 0.00 0.00 174.94 176.70 3fjk s SER 99 N 0.27 6.29 0.09 3.58 0.15 -0.77 0.84 113.70 124.16 3fjk s SER 99 Ca 0.03 2.55 -0.26 0.00 0.70 0.00 0.00 55.95 58.97 3fjk s SER 99 Cb -0.12 -2.53 -0.13 0.00 -1.71 0.00 0.00 66.02 61.53 3fjk s SER 99 CO 0.01 -1.20 1.69 0.50 1.20 0.00 0.00 173.24 175.44 3fjk h LYS 100 N 11.29 -0.30 -0.99 5.44 3.64 -1.66 0.97 116.57 134.95 3fjk h LYS 100 Ca -0.48 0.02 0.20 0.00 -1.27 0.00 0.00 60.65 59.12 3fjk h LYS 100 Cb 1.24 0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 33.03 3fjk h LYS 100 CO 0.94 -0.20 0.61 -0.22 -2.27 0.00 0.00 179.45 178.32 3fjk h LYS 101 N -0.31 0.67 -0.28 1.90 3.64 -1.90 -0.67 116.57 119.63 3fjk h LYS 101 Ca -0.00 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3fjk h LYS 101 Cb 0.29 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3fjk h LYS 101 CO -0.02 0.44 0.00 0.72 -2.27 0.00 0.00 179.45 178.33 3fjk n HIS 102 N -4.72 0.99 -0.26 1.91 8.25 -0.97 -4.73 115.22 115.68 3fjk n HIS 102 Ca 0.23 -0.93 0.06 0.00 -0.26 0.00 0.00 57.72 56.82 3fjk n HIS 102 Cb 0.61 -0.34 0.18 0.00 1.12 0.00 0.00 29.99 31.56 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 1.79 0.86 0.00 -1.41 0.00 0.26 0.44 119.26 121.20 3fjk h ALA 103 Ca 0.02 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3fjk h ALA 103 Cb 1.48 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.68 3fjk h ALA 103 CO 0.25 -0.43 0.00 1.05 0.00 0.00 0.00 179.25 180.12 3fjk h GLU 104 N 0.12 0.00 -0.01 0.00 9.09 -1.84 -0.22 114.58 121.73 3fjk h GLU 104 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.85 3fjk h GLU 104 Cb 0.78 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.88 3fjk h GLU 104 CO -0.66 0.00 -0.31 1.63 0.05 0.00 0.00 179.01 179.72 3fjk n LYS 105 N -2.94 0.76 -3.47 1.06 5.02 0.15 -4.95 118.16 113.80 3fjk n LYS 105 Ca -0.02 -0.47 -0.19 0.00 -2.02 0.00 0.00 58.31 55.62 3fjk n LYS 105 Cb 0.12 -1.49 0.09 0.00 -0.02 0.00 0.00 35.03 33.73 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 -0.71 -3.09 -4.57 4.39 4.13 -0.09 -4.98 115.26 110.34 3fjk n ASN 106 Ca 0.11 -0.60 -0.41 0.00 1.68 0.00 0.00 54.58 55.36 3fjk n ASN 106 Cb 0.35 -5.09 -0.07 0.00 -1.54 0.00 0.00 39.78 33.43 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 -3.35 3.18 0.32 3.10 0.51 -1.25 -4.43 118.94 117.02 3fjk s TRP 107 Ca 0.14 0.33 0.07 0.00 -2.12 0.00 0.00 56.10 54.52 3fjk s TRP 107 Cb -0.06 -2.97 -0.03 0.00 -0.81 0.00 0.00 33.47 29.60 3fjk s TRP 107 CO 0.73 -0.53 0.29 -0.06 -0.51 0.00 0.00 176.95 176.87 3fjk s PHE 108 N 2.50 2.96 0.19 -1.98 0.40 -1.26 -1.85 117.98 118.94 3fjk s PHE 108 Ca 0.21 -0.26 -0.28 0.00 -0.60 0.00 0.00 56.93 56.00 3fjk s PHE 108 Cb -0.15 -1.73 -0.08 0.00 0.51 0.00 0.00 43.02 41.56 3fjk s PHE 108 CO 0.13 0.24 0.88 0.08 0.70 0.00 0.00 175.22 177.25 3fjk s VAL 109 N -2.26 4.25 -0.02 -0.44 1.01 -0.38 -4.60 120.40 117.97 3fjk s VAL 109 Ca 0.40 1.94 -0.28 0.00 0.00 0.00 0.00 61.98 64.03 3fjk s VAL 109 Cb -0.06 -4.26 0.09 0.00 0.00 0.00 0.00 36.38 32.15 3fjk s VAL 109 CO 0.27 0.48 0.79 -0.83 0.00 0.00 0.00 175.10 175.80 3fjk s GLY 110 N -0.97 -0.49 -0.09 4.51 0.00 -1.26 -4.42 107.32 104.60 3fjk s GLY 110 Ca 0.40 1.21 0.02 0.00 0.00 0.00 0.00 44.72 46.35 3fjk s GLY 110 CO 0.29 0.63 -0.14 1.08 0.00 0.00 0.00 173.10 174.97 3fjk s LEU 111 N -1.87 1.66 0.82 0.66 1.43 -0.28 -1.20 118.68 119.91 3fjk s LEU 111 Ca -0.02 -0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 52.59 3fjk s LEU 111 Cb -0.01 -0.99 0.09 0.00 0.03 0.00 0.00 46.19 45.31 3fjk s LEU 111 CO -0.02 0.01 1.09 -0.54 0.23 0.00 0.00 176.35 177.12 3fjk s LYS 112 N 0.92 1.85 0.58 1.70 1.02 0.15 -4.50 119.74 121.46 3fjk s LYS 112 Ca -0.09 0.93 0.27 0.00 0.02 0.00 0.00 55.97 57.10 3fjk s LYS 112 Cb -0.15 -1.87 1.71 0.00 -0.52 0.00 0.00 37.83 37.00 3fjk s LYS 112 CO 0.00 -1.86 2.22 0.87 -0.92 0.00 0.00 175.35 175.66 3fjk h LYS 113 N -1.28 0.00 -0.01 1.68 1.57 -1.86 -0.79 116.57 115.89 3fjk h LYS 113 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3fjk h LYS 113 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 3fjk h LYS 113 CO 0.54 0.00 -0.11 0.27 -0.57 0.00 0.00 179.45 179.58 3fjk n ASN 114 N -3.96 0.79 0.00 0.86 6.94 -1.26 -4.58 115.26 114.05 3fjk n ASN 114 Ca -0.02 -0.89 0.00 0.00 -0.02 0.00 0.00 54.58 53.64 3fjk n ASN 114 Cb 0.12 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 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 1.25 0.70 3.92 4.83 0.00 -0.30 -5.05 105.19 110.54 3fjk n GLY 115 Ca 0.16 0.00 -0.29 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 -2.61 6.32 0.93 1.61 1.04 -1.26 -1.42 113.70 118.30 3fjk s SER 116 Ca 0.00 0.23 -0.11 0.00 0.48 0.00 0.00 55.95 56.54 3fjk s SER 116 Cb 0.00 -1.92 0.15 0.00 0.10 0.00 0.00 66.02 64.35 3fjk s SER 116 CO 0.00 0.13 1.09 0.00 0.98 0.00 0.00 173.24 175.44 3fjk s LYS 118 N -4.80 3.44 0.05 0.00 1.02 -0.34 -4.58 119.74 114.52 3fjk s LYS 118 Ca 0.65 -0.48 -0.25 0.00 0.02 0.00 0.00 55.97 55.90 3fjk s LYS 118 Cb -0.20 -3.02 -0.05 0.00 -0.52 0.00 0.00 37.83 34.04 3fjk s LYS 118 CO 0.58 0.59 0.78 1.03 -0.92 0.00 0.00 175.35 177.41 3fjk s ARG 119 N -2.70 4.51 0.20 1.68 0.52 -1.26 -4.70 118.95 117.21 3fjk s ARG 119 Ca 0.35 1.10 -0.18 0.00 -0.52 0.00 0.00 55.73 56.48 3fjk s ARG 119 Cb -0.12 -3.37 0.19 0.00 0.52 0.00 0.00 34.95 32.16 3fjk s ARG 119 CO 0.28 0.27 1.42 0.41 0.02 0.00 0.00 175.30 177.70 3fjk n GLY 120 N 2.40 -1.95 0.33 -3.53 0.00 0.59 0.11 105.19 103.15 3fjk n GLY 120 Ca -0.02 1.03 0.20 0.00 0.00 0.00 0.00 46.02 47.23 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 -0.15 1.61 0.11 -1.85 -0.56 132.00 131.16 3fjk h PRO 121 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 3fjk h PRO 121 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 3fjk h PRO 121 CO -0.90 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.43 3fjk n ARG 122 N -2.98 2.04 -4.10 1.05 5.12 0.29 -4.93 116.66 113.16 3fjk n ARG 122 Ca -0.03 -1.54 -0.26 0.00 -1.93 0.00 0.00 57.85 54.10 3fjk n ARG 122 Cb 0.19 -1.46 -0.05 0.00 -1.16 0.00 0.00 32.46 29.97 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 -1.82 4.43 -0.07 0.55 -4.23 -0.22 -4.92 115.64 109.35 3fjk s THR 123 Ca 0.34 -1.16 -0.31 0.00 -1.18 0.00 0.00 61.69 59.38 3fjk s THR 123 Cb 0.20 -3.28 0.12 0.00 1.34 0.00 0.00 72.50 70.88 3fjk s THR 123 CO 0.30 -0.15 1.09 -1.38 -0.54 0.00 0.00 174.62 173.94 3fjk s HIS 124 N -1.81 -0.19 0.37 3.99 -3.43 -1.26 -4.74 115.29 108.22 3fjk s HIS 124 Ca 0.31 0.08 -0.26 0.00 -0.80 0.00 0.00 55.06 54.39 3fjk s HIS 124 Cb -0.10 0.54 -0.12 0.00 -1.43 0.00 0.00 32.58 31.47 3fjk s HIS 124 CO 0.23 -0.39 0.99 0.66 -2.00 0.00 0.00 174.74 174.23 3fjk n TYR 125 N -0.23 1.14 0.00 0.38 4.01 -1.26 -2.65 117.16 118.55 3fjk n TYR 125 Ca -0.04 0.62 0.00 0.00 -0.16 0.00 0.00 57.90 58.31 3fjk n TYR 125 Cb 0.60 -2.23 0.00 0.00 -0.31 0.00 0.00 39.34 37.40 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 1.22 3.32 3.81 2.72 0.00 -1.26 -5.07 105.19 109.93 3fjk n GLY 126 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.99 4.14 0.17 1.61 -0.21 -1.08 -4.97 119.66 118.32 3fjk s GLN 127 Ca 0.00 1.18 0.01 0.00 0.02 0.00 0.00 55.36 56.57 3fjk s GLN 127 Cb 0.00 -2.17 0.02 0.00 1.00 0.00 0.00 33.01 31.86 3fjk s GLN 127 CO 0.00 -0.12 1.39 0.87 -2.12 0.00 0.00 175.29 175.32 3fjk h LYS 128 N 1.85 0.27 -0.24 2.91 1.79 -1.97 -3.29 116.57 117.88 3fjk h LYS 128 Ca -0.49 -0.27 0.07 0.00 -2.18 0.00 0.00 60.65 57.78 3fjk h LYS 128 Cb 1.19 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.90 3fjk h LYS 128 CO 0.61 0.96 0.23 0.00 -1.08 0.00 0.00 179.45 180.17 3fjk h ALA 129 N 0.95 1.97 -0.02 3.86 0.00 -1.94 -2.01 119.26 122.08 3fjk h ALA 129 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fjk h ALA 129 Cb 1.44 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3fjk h ALA 129 CO 0.13 -0.36 -0.04 0.44 0.00 0.00 0.00 179.25 179.42 3fjk n ILE 130 N -3.96 0.00 -3.24 0.00 -5.35 -1.24 -1.12 119.36 104.44 3fjk n ILE 130 Ca 0.03 -0.26 -0.40 0.00 -0.27 0.00 0.00 62.75 61.84 3fjk n ILE 130 Cb 0.38 0.62 -0.08 0.00 -1.74 0.00 0.00 39.64 38.81 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 -2.07 4.12 0.20 7.28 1.43 -0.75 -4.52 118.68 124.36 3fjk s LEU 131 Ca 0.35 0.37 0.11 0.00 -1.03 0.00 0.00 54.13 53.94 3fjk s LEU 131 Cb 0.21 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 3fjk s LEU 131 CO 0.36 -0.33 -0.23 -0.36 0.23 0.00 0.00 176.35 176.01 3fjk s PHE 132 N 2.33 2.27 -0.15 0.29 0.40 0.13 -4.07 117.98 119.18 3fjk s PHE 132 Ca 0.20 -0.36 -0.00 0.00 -0.60 0.00 0.00 56.93 56.17 3fjk s PHE 132 Cb -0.16 -1.12 0.04 0.00 0.51 0.00 0.00 43.02 42.29 3fjk s PHE 132 CO 0.10 0.50 -0.06 -1.17 0.70 0.00 0.00 175.22 175.30 3fjk s LEU 133 N -2.72 1.53 -0.62 -0.37 2.96 0.46 0.54 118.68 120.46 3fjk s LEU 133 Ca 0.21 -0.58 -0.28 0.00 -0.22 0.00 0.00 54.13 53.26 3fjk s LEU 133 Cb -0.08 -0.91 0.02 0.00 0.50 0.00 0.00 46.19 45.73 3fjk s LEU 133 CO 0.10 -0.17 1.34 -2.16 -1.32 0.00 0.00 176.35 174.15 3fjk s PRO 134 N 1.64 3.29 0.07 0.98 0.04 -1.26 -1.27 135.00 138.49 3fjk s PRO 134 Ca 0.02 0.22 -0.01 0.00 0.04 0.00 0.00 61.00 61.27 3fjk s PRO 134 Cb -0.15 -4.12 -0.04 0.00 0.04 0.00 0.00 34.50 30.23 3fjk s PRO 134 CO -0.08 -1.97 0.24 -0.51 0.04 0.00 0.00 177.00 174.72 3fjk s LEU 135 N 5.84 4.34 0.61 -3.56 1.43 0.22 -4.87 118.68 122.71 3fjk s LEU 135 Ca 0.46 0.34 -0.19 0.00 -1.03 0.00 0.00 54.13 53.72 3fjk s LEU 135 Cb -0.09 -2.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.11 3fjk s LEU 135 CO 0.22 0.16 1.19 -2.65 0.23 0.00 0.00 176.35 175.50 3fjk n PRO 136 N 0.33 1.14 0.00 1.29 -0.02 -1.26 0.03 135.00 136.51 3fjk n PRO 136 Ca -0.05 0.44 0.15 0.00 -2.02 0.00 0.00 63.50 62.02 3fjk n PRO 136 Cb 0.51 -2.41 0.83 0.00 -0.02 0.00 0.00 33.50 32.41 3fjk n PRO 136 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76