#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 0.34 -2.74 -1.40 7.35 -1.26 -5.01 117.46 114.75 3fjk n PHE 1 Ca 0.00 -1.16 -0.43 0.00 -0.76 0.00 0.00 57.45 55.10 3fjk n PHE 1 Cb 0.00 -0.21 -0.03 0.00 0.35 0.00 0.00 39.48 39.59 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 -2.76 7.00 0.18 -2.13 -0.87 -1.26 -5.01 114.94 110.09 3fjk s ASN 2 Ca 0.36 1.24 0.05 0.00 -1.57 0.00 0.00 52.86 52.94 3fjk s ASN 2 Cb 0.38 -2.51 -0.04 0.00 -0.02 0.00 0.00 41.25 39.06 3fjk s ASN 2 CO -0.10 -0.63 0.17 -0.76 -2.57 0.00 0.00 177.10 173.21 3fjk s LEU 3 N 3.11 3.89 0.41 0.60 1.43 -1.26 -0.52 118.68 126.34 3fjk s LEU 3 Ca 0.41 -0.11 -0.06 0.00 -1.03 0.00 0.00 54.13 53.34 3fjk s LEU 3 Cb -0.15 -2.47 -0.05 0.00 0.03 0.00 0.00 46.19 43.55 3fjk s LEU 3 CO 0.07 0.04 0.71 -2.16 0.23 0.00 0.00 176.35 175.24 3fjk s PRO 4 N -3.29 3.61 0.00 1.29 0.04 -1.26 -4.51 135.00 130.87 3fjk s PRO 4 Ca 0.32 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.52 3fjk s PRO 4 Cb -0.10 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.98 3fjk s PRO 4 CO 0.24 -0.04 0.00 -0.35 0.04 0.00 0.00 177.00 176.90 3fjk n PRO 5 N -1.70 3.62 -1.83 0.56 -0.04 -1.26 -4.99 135.00 129.36 3fjk n PRO 5 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3fjk n PRO 5 Cb 0.55 0.00 0.00 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 5.00 -4.12 0.06 0.55 0.00 -1.26 -5.00 105.19 100.42 3fjk n GLY 6 Ca 0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 0.36 -0.07 -0.44 1.61 0.23 -1.26 -4.98 115.26 110.71 3fjk n ASN 7 Ca 0.00 -0.97 0.07 0.00 -0.53 0.00 0.00 54.58 53.15 3fjk n ASN 7 Cb 0.00 -0.02 0.18 0.00 -2.08 0.00 0.00 39.78 37.87 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 -2.07 0.15 -0.11 -2.53 4.01 -1.26 -4.77 117.16 110.58 3fjk n TYR 8 Ca 0.00 -1.26 -0.06 0.00 -0.16 0.00 0.00 57.90 56.42 3fjk n TYR 8 Cb 0.01 -0.23 0.02 0.00 -0.31 0.00 0.00 39.34 38.83 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 0.62 0.28 -6.39 -0.72 1.79 -1.93 -3.44 116.57 106.78 3fjk h LYS 9 Ca 0.02 -0.02 -0.62 0.00 -2.18 0.00 0.00 60.65 57.85 3fjk h LYS 9 Cb 1.08 -0.06 -0.15 0.00 -1.58 0.00 0.00 32.23 31.52 3fjk h LYS 9 CO 0.05 0.19 -0.75 0.15 -1.08 0.00 0.00 179.45 178.00 3fjk s LYS 10 N -6.16 1.83 1.11 3.15 1.02 -1.26 -5.12 119.74 114.32 3fjk s LYS 10 Ca -0.13 -1.51 -0.12 0.00 0.02 0.00 0.00 55.97 54.23 3fjk s LYS 10 Cb 0.12 -1.96 0.25 0.00 -0.52 0.00 0.00 37.83 35.73 3fjk s LYS 10 CO 0.71 0.38 1.05 -1.25 -0.92 0.00 0.00 175.35 175.33 3fjk s PRO 11 N -3.11 -0.51 0.25 -1.68 0.04 -1.26 -4.81 135.00 123.91 3fjk s PRO 11 Ca 0.26 0.90 -0.13 0.00 0.04 0.00 0.00 61.00 62.06 3fjk s PRO 11 Cb -0.07 -1.60 -0.00 0.00 0.04 0.00 0.00 34.50 32.87 3fjk s PRO 11 CO 0.14 -3.47 0.49 0.15 0.04 0.00 0.00 177.00 174.36 3fjk s LYS 12 N -4.55 1.55 -0.01 4.56 -0.14 -0.01 -4.19 119.74 116.95 3fjk s LYS 12 Ca 0.68 -1.22 0.02 0.00 -1.36 0.00 0.00 55.97 54.09 3fjk s LYS 12 Cb -0.24 0.48 -0.03 0.00 -1.68 0.00 0.00 37.83 36.36 3fjk s LYS 12 CO 0.63 -0.65 -0.04 -0.51 -0.76 0.00 0.00 175.35 174.02 3fjk s LEU 13 N -3.00 3.29 -0.44 3.17 1.43 0.60 -0.69 118.68 123.03 3fjk s LEU 13 Ca 0.21 -0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.21 3fjk s LEU 13 Cb -0.01 -1.86 0.12 0.00 0.03 0.00 0.00 46.19 44.47 3fjk s LEU 13 CO 0.08 0.29 0.23 -0.76 0.23 0.00 0.00 176.35 176.43 3fjk s LEU 14 N -1.38 5.19 -0.17 1.79 1.43 -1.26 -0.52 118.68 123.75 3fjk s LEU 14 Ca 0.17 -2.22 -0.18 0.00 -1.03 0.00 0.00 54.13 50.87 3fjk s LEU 14 Cb -0.11 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 3fjk s LEU 14 CO 0.07 -0.49 0.50 -0.47 0.23 0.00 0.00 176.35 176.19 3fjk s TYR 15 N 0.87 3.42 -0.27 0.29 5.04 -0.71 -0.71 117.35 125.29 3fjk s TYR 15 Ca 0.10 0.81 -0.10 0.00 -2.44 0.00 0.00 57.07 55.44 3fjk s TYR 15 Cb -0.22 -2.62 -0.04 0.00 0.35 0.00 0.00 41.96 39.42 3fjk s TYR 15 CO -0.04 -0.00 0.16 0.00 -1.34 0.00 0.00 175.55 174.32 3fjk h SER 17 N 8.25 0.00 -0.23 0.00 0.87 -1.84 -1.24 113.55 119.37 3fjk h SER 17 Ca -0.36 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.26 3fjk h SER 17 Cb 1.18 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.08 3fjk h SER 17 CO 0.57 0.00 -0.19 -1.13 -0.53 0.00 0.00 176.83 175.55 3fjk h ASN 18 N 0.00 -0.60 0.00 6.23 -1.24 -1.84 -3.27 115.58 114.86 3fjk h ASN 18 Ca 0.00 0.12 0.00 0.00 0.71 0.00 0.00 56.30 57.13 3fjk h ASN 18 Cb 0.47 0.30 0.00 0.00 0.73 0.00 0.00 38.32 39.81 3fjk h ASN 18 CO 0.00 -0.23 0.00 0.61 -1.29 0.00 0.00 177.43 176.52 3fjk n GLY 19 N -1.34 0.87 2.62 1.57 0.00 -1.24 -4.71 105.19 102.96 3fjk n GLY 19 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.29 -0.07 3.51 -0.02 0.00 -0.50 -4.95 105.19 102.88 3fjk n GLY 20 Ca 0.00 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.23 2.53 -0.14 1.61 3.76 -1.01 -4.32 115.29 114.48 3fjk s HIS 21 Ca 0.06 -0.27 -0.07 0.00 -0.15 0.00 0.00 55.06 54.64 3fjk s HIS 21 Cb -0.03 -1.26 -0.04 0.00 1.11 0.00 0.00 32.58 32.36 3fjk s HIS 21 CO 0.47 0.48 0.10 -0.06 -0.85 0.00 0.00 174.74 174.89 3fjk s PHE 22 N -1.58 3.42 0.25 1.40 0.08 0.19 -0.20 117.98 121.54 3fjk s PHE 22 Ca 0.22 0.35 -0.30 0.00 0.12 0.00 0.00 56.93 57.32 3fjk s PHE 22 Cb -0.09 -1.98 -0.11 0.00 -0.57 0.00 0.00 43.02 40.27 3fjk s PHE 22 CO 0.13 0.50 1.52 -1.17 -0.10 0.00 0.00 175.22 176.09 3fjk s LEU 23 N -0.48 4.37 -0.03 -0.37 2.96 0.12 -1.75 118.68 123.50 3fjk s LEU 23 Ca 0.11 2.76 0.01 0.00 -0.22 0.00 0.00 54.13 56.79 3fjk s LEU 23 Cb -0.12 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 42.96 3fjk s LEU 23 CO 0.02 -0.80 -0.05 -0.60 -1.32 0.00 0.00 176.35 173.60 3fjk s ARG 24 N -0.15 0.67 -0.34 1.98 3.52 0.14 -4.47 118.95 120.29 3fjk s ARG 24 Ca 0.63 -0.14 -0.01 0.00 -0.13 0.00 0.00 55.73 56.08 3fjk s ARG 24 Cb -0.44 -0.68 0.08 0.00 -1.56 0.00 0.00 34.95 32.35 3fjk s ARG 24 CO 0.43 -0.00 0.07 0.42 -0.81 0.00 0.00 175.30 175.41 3fjk s ILE 25 N 0.52 2.92 0.61 4.11 1.01 -1.07 -1.92 121.20 127.39 3fjk s ILE 25 Ca -0.07 -1.80 -0.16 0.00 0.00 0.00 0.00 60.65 58.63 3fjk s ILE 25 Cb -0.10 -2.88 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 3fjk s ILE 25 CO -0.00 -0.39 1.07 -0.76 0.00 0.00 0.00 174.94 174.86 3fjk s LEU 26 N 1.15 3.47 0.51 2.97 1.43 0.11 -4.87 118.68 123.46 3fjk s LEU 26 Ca 0.02 1.88 0.26 0.00 -1.03 0.00 0.00 54.13 55.26 3fjk s LEU 26 Cb -0.21 -4.54 1.37 0.00 0.03 0.00 0.00 46.19 42.85 3fjk s LEU 26 CO -0.04 -1.30 1.93 -0.65 0.23 0.00 0.00 176.35 176.53 3fjk h PRO 27 N 0.34 0.07 -0.01 1.29 0.11 -1.99 0.28 132.00 132.10 3fjk h PRO 27 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3fjk h PRO 27 Cb 1.23 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3fjk h PRO 27 CO 0.56 0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 3fjk n ASP 28 N -4.36 0.30 0.00 -2.05 5.75 -1.26 -4.87 116.55 110.06 3fjk n ASP 28 Ca 0.15 -1.15 0.00 0.00 -0.01 0.00 0.00 54.79 53.77 3fjk n ASP 28 Cb 0.75 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.84 3fjk n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fjk n GLY 29 N 1.01 0.86 3.77 6.12 0.00 0.97 -4.97 105.19 112.95 3fjk n GLY 29 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.24 2.03 -0.14 2.61 2.01 -1.25 -0.45 115.64 118.22 3fjk s THR 30 Ca 0.00 0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.06 3fjk s THR 30 Cb 0.00 -3.02 0.01 0.00 0.01 0.00 0.00 72.50 69.50 3fjk s THR 30 CO 0.00 0.01 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.03 3fjk s VAL 31 N -0.79 2.08 0.00 3.82 1.01 -1.26 0.09 120.40 125.35 3fjk s VAL 31 Ca 0.56 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.57 3fjk s VAL 31 Cb -0.47 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.08 3fjk s VAL 31 CO 0.59 0.55 0.00 -0.90 0.00 0.00 0.00 175.10 175.34 3fjk n ASP 32 N 4.03 0.00 -4.34 3.32 5.75 -0.81 -4.43 116.55 120.07 3fjk n ASP 32 Ca -0.20 -0.49 -0.23 0.00 -0.01 0.00 0.00 54.79 53.86 3fjk n ASP 32 Cb 0.52 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.49 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 -0.49 1.41 -0.01 6.12 0.00 0.13 -0.69 107.32 113.79 3fjk s GLY 33 Ca 0.00 -1.45 -0.08 0.00 0.00 0.00 0.00 44.72 43.19 3fjk s GLY 33 CO 0.00 -1.48 0.16 -1.08 0.00 0.00 0.00 173.10 170.70 3fjk s THR 34 N -1.72 0.06 -2.02 0.90 -1.32 -0.72 -4.82 115.64 106.01 3fjk s THR 34 Ca 0.14 -0.54 0.27 0.00 -1.21 0.00 0.00 61.69 60.35 3fjk s THR 34 Cb -0.07 -0.42 0.33 0.00 -1.51 0.00 0.00 72.50 70.83 3fjk s THR 34 CO 0.06 -0.30 1.59 0.54 -2.21 0.00 0.00 174.62 174.31 3fjk n ARG 35 N 1.72 1.14 -2.62 7.08 1.74 -1.26 0.52 116.66 124.98 3fjk n ARG 35 Ca -0.21 -0.70 -0.42 0.00 -0.77 0.00 0.00 57.85 55.76 3fjk n ARG 35 Cb 0.56 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.49 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 -2.34 6.37 0.10 0.55 2.15 -1.26 -4.86 116.67 117.38 3fjk s ASP 36 Ca 0.28 -0.10 0.16 0.00 0.43 0.00 0.00 52.55 53.32 3fjk s ASP 36 Cb 0.20 -2.53 0.69 0.00 -0.30 0.00 0.00 42.92 40.97 3fjk s ASP 36 CO 0.46 -1.52 1.49 0.54 -0.17 0.00 0.00 175.17 175.98 3fjk n ARG 37 N 8.47 0.07 0.10 4.34 1.74 -1.26 -2.05 116.66 128.07 3fjk n ARG 37 Ca 0.06 0.37 0.12 0.00 -0.77 0.00 0.00 57.85 57.63 3fjk n ARG 37 Cb 0.49 -1.65 0.12 0.00 -1.02 0.00 0.00 32.46 30.40 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 -2.04 0.55 0.02 -2.00 -3.47 113.55 106.61 3fjk h SER 38 Ca 0.00 -0.09 -0.64 0.00 -0.84 0.00 0.00 61.79 60.22 3fjk h SER 38 Cb 0.23 0.00 0.07 0.00 0.14 0.00 0.00 62.40 62.84 3fjk h SER 38 CO 0.00 0.05 0.42 -0.67 -1.14 0.00 0.00 176.83 175.49 3fjk n ASP 39 N -2.47 1.83 -0.31 3.07 -0.08 -0.87 -4.85 116.55 112.88 3fjk n ASP 39 Ca 0.02 1.13 0.04 0.00 -1.51 0.00 0.00 54.79 54.47 3fjk n ASP 39 Cb 0.49 -1.27 0.14 0.00 2.34 0.00 0.00 41.12 42.82 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 2.14 1.39 -0.09 -0.67 1.13 -1.26 -3.73 117.38 116.29 3fjk n GLN 40 Ca 0.15 -0.60 0.08 0.00 -1.94 0.00 0.00 57.00 54.70 3fjk n GLN 40 Cb 0.25 -1.16 0.12 0.00 0.11 0.00 0.00 30.24 29.56 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 -0.04 0.08 0.30 1.08 8.25 -1.26 -4.58 115.22 119.04 3fjk n HIS 41 Ca 0.07 -0.89 0.06 0.00 -0.26 0.00 0.00 57.72 56.70 3fjk n HIS 41 Cb 0.15 -0.14 0.08 0.00 1.12 0.00 0.00 29.99 31.20 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 -1.16 0.28 -2.76 1.59 -5.35 -1.24 -2.58 119.36 108.13 3fjk n ILE 42 Ca 0.13 -0.64 -0.43 0.00 -0.27 0.00 0.00 62.75 61.55 3fjk n ILE 42 Cb 0.58 1.03 -0.04 0.00 -1.74 0.00 0.00 39.64 39.48 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 -0.97 3.36 -0.12 6.28 1.11 -1.26 -4.42 119.66 123.64 3fjk s GLN 43 Ca 0.16 -0.17 -0.03 0.00 0.01 0.00 0.00 55.36 55.34 3fjk s GLN 43 Cb 0.10 -4.06 -0.03 0.00 -1.01 0.00 0.00 33.01 28.01 3fjk s GLN 43 CO 0.15 -1.59 -0.02 -0.51 0.01 0.00 0.00 175.29 173.33 3fjk s LEU 44 N 4.30 3.42 -0.38 2.90 1.43 0.13 -2.57 118.68 127.91 3fjk s LEU 44 Ca 0.33 0.01 -0.10 0.00 -1.03 0.00 0.00 54.13 53.35 3fjk s LEU 44 Cb -0.11 -1.80 0.04 0.00 0.03 0.00 0.00 46.19 44.35 3fjk s LEU 44 CO 0.20 0.28 0.20 -1.58 0.23 0.00 0.00 176.35 175.68 3fjk s GLN 45 N -0.30 2.73 0.16 1.70 2.00 0.26 -0.83 119.66 125.37 3fjk s GLN 45 Ca 0.06 -1.20 -0.22 0.00 -2.00 0.00 0.00 55.36 52.00 3fjk s GLN 45 Cb -0.12 -3.69 -0.08 0.00 0.80 0.00 0.00 33.01 29.92 3fjk s GLN 45 CO 0.02 -0.76 0.71 -0.51 -0.50 0.00 0.00 175.29 174.25 3fjk s LEU 46 N 1.49 4.51 0.06 3.68 1.02 -1.26 -1.55 118.68 126.63 3fjk s LEU 46 Ca 0.01 1.48 0.04 0.00 0.02 0.00 0.00 54.13 55.68 3fjk s LEU 46 Cb -0.20 -3.27 -0.03 0.00 0.02 0.00 0.00 46.19 42.71 3fjk s LEU 46 CO 0.05 0.18 -0.11 -0.94 0.02 0.00 0.00 176.35 175.55 3fjk s SER 47 N -1.28 1.30 0.04 2.29 1.04 -0.20 -4.73 113.70 112.16 3fjk s SER 47 Ca 0.36 -0.62 -0.08 0.00 0.48 0.00 0.00 55.95 56.09 3fjk s SER 47 Cb -0.20 -0.01 -0.05 0.00 0.10 0.00 0.00 66.02 65.86 3fjk s SER 47 CO 0.23 -0.16 0.33 0.00 0.98 0.00 0.00 173.24 174.62 3fjk s ALA 48 N -1.49 3.79 0.00 5.32 0.00 -1.26 0.06 121.76 128.18 3fjk s ALA 48 Ca -0.04 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.44 3fjk s ALA 48 Cb -0.09 -2.16 0.00 0.00 0.00 0.00 0.00 23.12 20.87 3fjk s ALA 48 CO 0.01 0.61 0.00 -1.91 0.00 0.00 0.00 175.76 174.47 3fjk n GLU 49 N 1.05 0.00 -2.10 0.00 4.07 -0.71 -4.92 120.64 118.02 3fjk n GLU 49 Ca -0.10 0.00 -0.27 0.00 -0.06 0.00 0.00 57.16 56.73 3fjk n GLU 49 Cb 0.53 0.00 0.06 0.00 -0.06 0.00 0.00 31.44 31.97 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 -0.33 4.96 0.06 4.31 0.01 -1.26 -4.88 113.70 116.57 3fjk s SER 50 Ca 0.00 0.70 -0.36 0.00 1.31 0.00 0.00 55.95 57.60 3fjk s SER 50 Cb 0.00 -1.38 -0.15 0.00 0.21 0.00 0.00 66.02 64.70 3fjk s SER 50 CO 0.00 -1.55 1.53 0.52 0.41 0.00 0.00 173.24 174.15 3fjk n VAL 51 N -2.99 0.09 -0.01 3.43 0.31 -1.26 -0.58 118.33 117.32 3fjk n VAL 51 Ca 0.07 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 3fjk n VAL 51 Cb 0.60 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.27 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 3.25 2.18 3.77 2.92 0.00 -1.26 -5.02 105.19 111.03 3fjk n GLY 52 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.27 3.11 0.08 1.61 2.02 0.25 -0.59 118.70 124.91 3fjk s GLU 53 Ca 0.00 -0.40 -0.04 0.00 0.02 0.00 0.00 54.97 54.55 3fjk s GLU 53 Cb 0.00 -2.90 -0.03 0.00 0.10 0.00 0.00 34.13 31.30 3fjk s GLU 53 CO 0.00 0.69 0.07 0.14 0.02 0.00 0.00 175.26 176.18 3fjk s VAL 54 N -1.08 0.17 0.00 2.63 -7.23 0.78 -1.74 120.40 113.92 3fjk s VAL 54 Ca 0.19 -1.61 0.04 0.00 -1.81 0.00 0.00 61.98 58.79 3fjk s VAL 54 Cb -0.12 -1.57 -0.03 0.00 0.56 0.00 0.00 36.38 35.21 3fjk s VAL 54 CO 0.09 -0.76 -0.11 -0.31 -0.31 0.00 0.00 175.10 173.70 3fjk s TYR 55 N -3.93 2.78 -0.23 2.82 2.02 0.11 -1.60 117.35 119.32 3fjk s TYR 55 Ca 0.10 -0.11 0.02 0.00 -0.37 0.00 0.00 57.07 56.71 3fjk s TYR 55 Cb 0.07 -1.58 0.05 0.00 -0.40 0.00 0.00 41.96 40.10 3fjk s TYR 55 CO -0.08 0.32 -0.11 0.42 -1.57 0.00 0.00 175.55 174.53 3fjk s ILE 56 N -0.94 1.89 -0.06 2.71 1.01 -1.26 -1.04 121.20 123.51 3fjk s ILE 56 Ca 0.16 -1.31 0.04 0.00 0.00 0.00 0.00 60.65 59.54 3fjk s ILE 56 Cb -0.11 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 3fjk s ILE 56 CO 0.06 0.08 -0.19 -0.75 0.00 0.00 0.00 174.94 174.13 3fjk s LYS 57 N 1.26 2.64 -0.82 2.79 2.20 -0.60 -0.24 119.74 126.97 3fjk s LYS 57 Ca -0.05 -0.80 -0.24 0.00 -0.36 0.00 0.00 55.97 54.53 3fjk s LYS 57 Cb -0.18 -2.31 0.06 0.00 -1.51 0.00 0.00 37.83 33.89 3fjk s LYS 57 CO -0.07 0.45 1.23 0.45 -0.36 0.00 0.00 175.35 177.05 3fjk s SER 58 N -0.31 6.31 0.38 1.43 0.15 0.64 0.90 113.70 123.21 3fjk s SER 58 Ca 0.02 -1.05 0.22 0.00 0.70 0.00 0.00 55.95 55.84 3fjk s SER 58 Cb -0.13 -2.51 1.33 0.00 -1.71 0.00 0.00 66.02 63.00 3fjk s SER 58 CO 0.02 -1.56 1.60 0.71 1.20 0.00 0.00 173.24 175.21 3fjk h THR 59 N 6.20 0.07 0.38 6.45 1.35 -1.81 0.39 112.91 125.93 3fjk h THR 59 Ca -0.10 -0.02 -0.01 0.00 -0.55 0.00 0.00 66.41 65.72 3fjk h THR 59 Cb 1.04 -0.01 -0.01 0.00 -1.73 0.00 0.00 68.15 67.44 3fjk h THR 59 CO 1.27 0.01 -0.35 -0.08 -0.25 0.00 0.00 175.52 176.13 3fjk h GLU 60 N 0.07 -0.69 -0.40 4.72 4.57 -1.81 -3.25 114.58 117.80 3fjk h GLU 60 Ca 0.83 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 59.06 3fjk h GLU 60 Cb 2.26 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 31.00 3fjk h GLU 60 CO -0.66 -0.46 0.00 0.25 -1.18 0.00 0.00 179.01 176.96 3fjk n THR 61 N -4.50 0.53 -2.82 0.32 -2.24 -0.93 -4.98 114.28 99.66 3fjk n THR 61 Ca -0.09 -0.76 -0.21 0.00 -2.27 0.00 0.00 64.05 60.72 3fjk n THR 61 Cb 0.32 0.97 0.02 0.00 -2.10 0.00 0.00 70.33 69.54 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 1.48 -0.45 3.81 3.38 0.00 0.13 -5.00 105.19 108.54 3fjk n GLY 62 Ca 0.19 0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 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 -5.47 3.26 -0.08 1.61 -0.21 -1.20 -4.69 119.66 112.88 3fjk s GLN 63 Ca 0.21 -0.27 -0.10 0.00 0.02 0.00 0.00 55.36 55.23 3fjk s GLN 63 Cb -0.09 -3.03 -0.05 0.00 1.00 0.00 0.00 33.01 30.84 3fjk s GLN 63 CO 0.26 0.73 0.24 0.71 -2.12 0.00 0.00 175.29 175.12 3fjk s TYR 64 N -1.03 3.64 0.37 0.91 1.51 0.12 -0.26 117.35 122.62 3fjk s TYR 64 Ca 0.16 0.70 -0.28 0.00 -1.01 0.00 0.00 57.07 56.65 3fjk s TYR 64 Cb -0.12 -2.09 -0.10 0.00 -0.11 0.00 0.00 41.96 39.55 3fjk s TYR 64 CO 0.06 0.68 1.37 -1.17 -1.11 0.00 0.00 175.55 175.38 3fjk s LEU 65 N -0.98 4.32 -0.14 -1.29 2.96 0.67 0.41 118.68 124.63 3fjk s LEU 65 Ca 0.18 2.81 -0.10 0.00 -0.22 0.00 0.00 54.13 56.81 3fjk s LEU 65 Cb -0.14 -3.74 0.05 0.00 0.50 0.00 0.00 46.19 42.86 3fjk s LEU 65 CO 0.07 -0.77 0.35 0.00 -1.32 0.00 0.00 176.35 174.69 3fjk s MET 67 N 0.84 3.71 0.73 0.00 1.75 -0.88 -0.41 119.30 125.03 3fjk s MET 67 Ca -0.05 -0.47 -0.06 0.00 -1.25 0.00 0.00 55.69 53.86 3fjk s MET 67 Cb -0.06 -2.98 0.10 0.00 2.84 0.00 0.00 34.83 34.72 3fjk s MET 67 CO -0.06 0.28 1.03 0.16 -0.65 0.00 0.00 175.02 175.77 3fjk s ASP 68 N 0.29 4.49 0.14 1.11 1.47 0.95 -4.86 116.67 120.26 3fjk s ASP 68 Ca -0.02 0.17 0.08 0.00 1.18 0.00 0.00 52.55 53.96 3fjk s ASP 68 Cb -0.14 -0.68 0.42 0.00 -0.34 0.00 0.00 42.92 42.18 3fjk s ASP 68 CO 0.02 -1.79 1.17 1.07 0.68 0.00 0.00 175.17 176.32 3fjk n THR 69 N -2.96 1.29 0.39 2.11 5.66 -1.26 0.87 114.28 120.37 3fjk n THR 69 Ca 0.11 0.61 0.10 0.00 -3.05 0.00 0.00 64.05 61.81 3fjk n THR 69 Cb 0.60 -1.61 0.15 0.00 -1.55 0.00 0.00 70.33 67.92 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 -1.74 2.97 0.00 1.09 8.00 -1.26 -4.96 116.55 120.64 3fjk n ASP 70 Ca -0.01 -1.87 0.00 0.00 0.71 0.00 0.00 54.79 53.62 3fjk n ASP 70 Cb 0.12 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 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 1.14 0.57 3.78 0.44 0.00 0.25 -4.44 105.19 106.93 3fjk n GLY 71 Ca 0.14 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 4.38 0.15 0.99 1.43 -1.25 -0.55 118.68 123.83 3fjk s LEU 72 Ca 0.00 0.86 -0.21 0.00 -1.03 0.00 0.00 54.13 53.75 3fjk s LEU 72 Cb 0.00 -2.60 -0.08 0.00 0.03 0.00 0.00 46.19 43.54 3fjk s LEU 72 CO 0.00 0.18 0.68 -0.76 0.23 0.00 0.00 176.35 176.68 3fjk s LEU 73 N -0.29 4.49 0.20 1.79 1.43 -1.26 -0.03 118.68 125.01 3fjk s LEU 73 Ca 0.24 1.43 -0.19 0.00 -1.03 0.00 0.00 54.13 54.57 3fjk s LEU 73 Cb -0.16 -3.24 0.04 0.00 0.03 0.00 0.00 46.19 42.86 3fjk s LEU 73 CO 0.11 0.18 0.57 -0.72 0.23 0.00 0.00 176.35 176.72 3fjk s TYR 74 N -1.25 -0.25 -0.06 0.29 1.13 0.45 -4.40 117.35 113.27 3fjk s TYR 74 Ca 0.35 -0.08 -0.25 0.00 -1.41 0.00 0.00 57.07 55.68 3fjk s TYR 74 Cb -0.20 0.48 -0.03 0.00 -1.10 0.00 0.00 41.96 41.11 3fjk s TYR 74 CO 0.22 -0.94 0.79 0.20 -2.51 0.00 0.00 175.55 173.31 3fjk s GLY 75 N -2.84 2.64 -0.14 5.49 0.00 0.41 -1.31 107.32 111.57 3fjk s GLY 75 Ca 0.07 0.23 0.02 0.00 0.00 0.00 0.00 44.72 45.04 3fjk s GLY 75 CO -0.05 1.37 -0.21 -0.45 0.00 0.00 0.00 173.10 173.76 3fjk s SER 76 N 0.89 3.06 0.42 1.64 0.15 0.17 -4.83 113.70 115.19 3fjk s SER 76 Ca 0.41 -0.60 0.12 0.00 0.70 0.00 0.00 55.95 56.59 3fjk s SER 76 Cb -0.18 -1.42 0.91 0.00 -1.71 0.00 0.00 66.02 63.61 3fjk s SER 76 CO 0.20 0.06 1.97 1.56 1.20 0.00 0.00 173.24 178.23 3fjk h GLN 77 N 7.43 0.14 -5.23 5.44 1.08 -1.85 0.35 115.11 122.46 3fjk h GLN 77 Ca -0.34 -0.03 -0.62 0.00 -1.45 0.00 0.00 58.65 56.21 3fjk h GLN 77 Cb 1.18 -0.02 -0.16 0.00 -0.05 0.00 0.00 27.48 28.43 3fjk h GLN 77 CO 0.56 0.27 -0.56 0.95 -0.95 0.00 0.00 178.83 179.10 3fjk s THR 78 N -4.75 4.79 -1.33 -0.54 -4.23 -1.26 -4.76 115.64 103.57 3fjk s THR 78 Ca -0.05 -0.03 -0.14 0.00 -1.18 0.00 0.00 61.69 60.30 3fjk s THR 78 Cb 0.16 -3.17 -0.04 0.00 1.34 0.00 0.00 72.50 70.79 3fjk s THR 78 CO 0.71 0.44 2.35 -0.81 -0.54 0.00 0.00 174.62 176.78 3fjk n PRO 79 N 3.72 2.76 0.00 3.99 -0.04 -1.26 -4.91 135.00 139.26 3fjk n PRO 79 Ca -0.16 -2.25 0.00 0.00 -0.04 0.00 0.00 63.50 61.05 3fjk n PRO 79 Cb 0.52 -3.01 0.00 0.00 -0.04 0.00 0.00 33.50 30.97 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 5.50 -0.38 0.22 3.54 0.23 -1.26 -4.86 115.26 118.26 3fjk n ASN 80 Ca 0.58 -0.50 0.09 0.00 -0.53 0.00 0.00 54.58 54.22 3fjk n ASN 80 Cb 0.33 0.00 0.51 0.00 -2.08 0.00 0.00 39.78 38.54 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 0.00 -3.83 4.11 -1.99 -2.59 114.58 110.28 3fjk h GLU 81 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3fjk h GLU 81 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3fjk h GLU 81 CO 0.00 0.24 0.00 0.39 0.07 0.00 0.00 179.01 179.71 3fjk n GLU 82 N -3.62 0.71 0.00 1.06 1.02 -1.26 -3.07 120.64 115.48 3fjk n GLU 82 Ca -0.01 0.01 0.10 0.00 -0.02 0.00 0.00 57.16 57.24 3fjk n GLU 82 Cb 0.38 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.37 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 -1.86 4.26 0.03 0.00 1.43 -1.18 -4.50 118.68 116.87 3fjk s LEU 84 Ca 0.23 0.96 0.06 0.00 -1.03 0.00 0.00 54.13 54.36 3fjk s LEU 84 Cb 0.17 -2.88 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 3fjk s LEU 84 CO 0.31 -0.10 -0.18 -0.36 0.23 0.00 0.00 176.35 176.24 3fjk s PHE 85 N 0.96 1.59 -0.49 0.29 0.08 -0.63 -1.33 117.98 118.45 3fjk s PHE 85 Ca 0.31 -0.35 -0.22 0.00 0.12 0.00 0.00 56.93 56.79 3fjk s PHE 85 Cb -0.16 -0.96 0.04 0.00 -0.57 0.00 0.00 43.02 41.37 3fjk s PHE 85 CO 0.13 0.05 0.74 -0.51 -0.10 0.00 0.00 175.22 175.54 3fjk s LEU 86 N -1.02 4.48 -0.11 -0.37 1.43 0.66 -0.16 118.68 123.60 3fjk s LEU 86 Ca 0.06 -0.45 -0.28 0.00 -1.03 0.00 0.00 54.13 52.42 3fjk s LEU 86 Cb -0.08 -2.72 -0.02 0.00 0.03 0.00 0.00 46.19 43.40 3fjk s LEU 86 CO 0.01 -0.95 0.94 -0.70 0.23 0.00 0.00 176.35 175.88 3fjk s GLU 87 N 3.14 4.41 0.03 1.70 2.12 0.24 -1.81 118.70 128.53 3fjk s GLU 87 Ca 0.24 1.27 -0.00 0.00 0.36 0.00 0.00 54.97 56.84 3fjk s GLU 87 Cb -0.15 -3.54 -0.03 0.00 0.26 0.00 0.00 34.13 30.68 3fjk s GLU 87 CO 0.18 -0.27 -0.04 1.03 -0.54 0.00 0.00 175.26 175.63 3fjk s ARG 88 N 1.86 0.42 0.47 4.30 1.81 -0.58 -4.65 118.95 122.57 3fjk s ARG 88 Ca 0.46 -0.79 -0.20 0.00 -1.72 0.00 0.00 55.73 53.47 3fjk s ARG 88 Cb -0.18 0.09 -0.09 0.00 -0.45 0.00 0.00 34.95 34.32 3fjk s ARG 88 CO 0.18 -0.05 1.00 -1.17 -0.68 0.00 0.00 175.30 174.57 3fjk s LEU 89 N -1.86 3.88 -0.06 2.53 2.96 0.33 -1.44 118.68 125.02 3fjk s LEU 89 Ca -0.09 1.83 -0.03 0.00 -0.22 0.00 0.00 54.13 55.62 3fjk s LEU 89 Cb -0.05 -4.55 0.03 0.00 0.50 0.00 0.00 46.19 42.11 3fjk s LEU 89 CO -0.03 -0.62 0.13 -0.70 -1.32 0.00 0.00 176.35 173.81 3fjk s GLU 90 N -3.23 0.11 -1.40 1.98 2.56 0.25 -4.82 118.70 114.15 3fjk s GLU 90 Ca 0.65 0.28 -0.08 0.00 0.00 0.00 0.00 54.97 55.82 3fjk s GLU 90 Cb -0.13 -0.08 0.05 0.00 2.00 0.00 0.00 34.13 35.97 3fjk s GLU 90 CO 0.17 -0.10 0.59 0.39 -0.56 0.00 0.00 175.26 175.75 3fjk n GLU 91 N 3.70 -4.15 -0.32 4.30 1.02 -1.26 -0.96 120.64 122.97 3fjk n GLU 91 Ca -0.21 0.63 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 3fjk n GLU 91 Cb 0.55 -5.41 0.00 0.00 -0.02 0.00 0.00 31.44 26.56 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 -2.43 0.00 0.00 1.62 4.13 -1.26 -4.51 115.26 112.81 3fjk n ASN 92 Ca -0.04 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.22 3fjk n ASN 92 Cb 0.56 -1.83 0.00 0.00 -1.54 0.00 0.00 39.78 36.97 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 -4.05 3.10 1.44 -0.89 -5.12 115.22 107.70 3fjk n HIS 93 Ca 0.00 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.48 3fjk n HIS 93 Cb 0.00 0.01 -0.06 0.00 0.12 0.00 0.00 29.99 30.06 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 2.77 -0.13 -1.40 4.12 -0.13 -4.93 117.35 117.65 3fjk s TYR 94 Ca 0.00 -0.34 -0.01 0.00 0.02 0.00 0.00 57.07 56.74 3fjk s TYR 94 Cb 0.00 -1.63 -0.02 0.00 -1.52 0.00 0.00 41.96 38.79 3fjk s TYR 94 CO 0.00 0.33 -0.12 -0.80 0.02 0.00 0.00 175.55 174.98 3fjk s ASN 95 N -3.87 4.12 0.20 2.29 -0.87 0.10 -0.58 114.94 116.32 3fjk s ASN 95 Ca 0.38 -0.30 0.10 0.00 -1.57 0.00 0.00 52.86 51.47 3fjk s ASN 95 Cb -0.04 -1.62 -0.04 0.00 -0.02 0.00 0.00 41.25 39.53 3fjk s ASN 95 CO 0.23 0.17 -0.21 0.42 -2.57 0.00 0.00 177.10 175.14 3fjk s THR 96 N 0.32 2.18 -0.15 1.60 -4.23 -0.52 0.34 115.64 115.19 3fjk s THR 96 Ca -0.10 -2.05 -0.01 0.00 -1.18 0.00 0.00 61.69 58.36 3fjk s THR 96 Cb -0.16 -2.05 0.04 0.00 1.34 0.00 0.00 72.50 71.67 3fjk s THR 96 CO 0.05 -0.23 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.57 3fjk s TYR 97 N -1.92 1.31 -0.16 3.99 2.02 -1.26 -1.52 117.35 119.80 3fjk s TYR 97 Ca 0.20 -0.81 -0.08 0.00 -0.37 0.00 0.00 57.07 56.01 3fjk s TYR 97 Cb -0.07 -1.13 -0.04 0.00 -0.40 0.00 0.00 41.96 40.32 3fjk s TYR 97 CO 0.09 -0.54 0.13 0.42 -1.57 0.00 0.00 175.55 174.08 3fjk s ILE 98 N 1.76 5.43 0.10 2.71 1.01 -0.75 -0.91 121.20 130.55 3fjk s ILE 98 Ca 0.02 0.19 -0.31 0.00 0.00 0.00 0.00 60.65 60.55 3fjk s ILE 98 Cb -0.15 -3.42 -0.10 0.00 0.01 0.00 0.00 42.46 38.80 3fjk s ILE 98 CO -0.07 0.53 1.88 -0.55 0.00 0.00 0.00 174.94 176.73 3fjk s SER 99 N -0.33 6.42 0.03 3.58 0.15 -0.36 -0.24 113.70 122.94 3fjk s SER 99 Ca 0.11 2.75 -0.23 0.00 0.70 0.00 0.00 55.95 59.28 3fjk s SER 99 Cb -0.12 -2.56 -0.16 0.00 -1.71 0.00 0.00 66.02 61.47 3fjk s SER 99 CO 0.01 -1.03 1.42 0.50 1.20 0.00 0.00 173.24 175.34 3fjk h LYS 100 N 9.19 0.11 -0.95 5.44 3.64 -1.53 0.16 116.57 132.64 3fjk h LYS 100 Ca -0.47 -0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.01 3fjk h LYS 100 Cb 1.22 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.94 3fjk h LYS 100 CO 0.95 0.43 0.56 -0.22 -2.27 0.00 0.00 179.45 178.90 3fjk h LYS 101 N -0.22 0.79 -0.45 1.90 3.64 -1.79 -1.96 116.57 118.48 3fjk h LYS 101 Ca 0.02 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.17 3fjk h LYS 101 Cb 0.39 -0.18 -0.11 0.00 -0.41 0.00 0.00 32.23 31.92 3fjk h LYS 101 CO 0.00 0.52 0.07 0.72 -2.27 0.00 0.00 179.45 178.49 3fjk n HIS 102 N -4.74 1.44 0.03 1.91 8.25 -1.16 -4.74 115.22 116.21 3fjk n HIS 102 Ca 0.19 -1.40 0.15 0.00 -0.26 0.00 0.00 57.72 56.40 3fjk n HIS 102 Cb 0.43 -0.52 0.62 0.00 1.12 0.00 0.00 29.99 31.64 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 1.37 2.25 0.00 -1.41 0.00 0.15 -0.89 119.26 120.74 3fjk h ALA 103 Ca 0.22 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3fjk h ALA 103 Cb 1.83 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.61 3fjk h ALA 103 CO 0.47 -0.36 -0.16 1.05 0.00 0.00 0.00 179.25 180.25 3fjk h GLU 104 N 0.12 0.00 -0.04 0.00 9.09 -1.85 -2.24 114.58 119.67 3fjk h GLU 104 Ca 0.20 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.61 3fjk h GLU 104 Cb 0.65 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.75 3fjk h GLU 104 CO -0.02 0.16 0.00 1.63 0.05 0.00 0.00 179.01 180.83 3fjk n LYS 105 N -3.35 1.70 -3.42 1.06 5.02 -0.34 -4.96 118.16 113.88 3fjk n LYS 105 Ca -0.00 -1.02 -0.18 0.00 -2.02 0.00 0.00 58.31 55.08 3fjk n LYS 105 Cb 0.38 -1.47 0.07 0.00 -0.02 0.00 0.00 35.03 33.98 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 0.24 -4.48 -4.58 4.39 4.13 -0.84 -4.95 115.26 109.18 3fjk n ASN 106 Ca 0.18 -0.74 -0.38 0.00 1.68 0.00 0.00 54.58 55.32 3fjk n ASN 106 Cb 0.36 -4.80 -0.11 0.00 -1.54 0.00 0.00 39.78 33.69 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 -3.43 3.22 0.34 3.10 0.51 -1.25 -4.49 118.94 116.93 3fjk s TRP 107 Ca 0.27 0.06 0.07 0.00 -2.12 0.00 0.00 56.10 54.39 3fjk s TRP 107 Cb -0.05 -2.39 -0.02 0.00 -0.81 0.00 0.00 33.47 30.20 3fjk s TRP 107 CO 0.76 -0.19 0.33 -0.06 -0.51 0.00 0.00 176.95 177.28 3fjk s PHE 108 N 1.75 2.94 -0.06 -1.98 0.40 -1.26 -1.22 117.98 118.54 3fjk s PHE 108 Ca 0.07 -0.29 -0.22 0.00 -0.60 0.00 0.00 56.93 55.89 3fjk s PHE 108 Cb -0.16 -1.84 -0.04 0.00 0.51 0.00 0.00 43.02 41.49 3fjk s PHE 108 CO 0.11 0.15 0.63 0.08 0.70 0.00 0.00 175.22 176.88 3fjk s VAL 109 N -2.28 5.04 -0.18 -0.44 1.01 -0.09 -4.64 120.40 118.82 3fjk s VAL 109 Ca 0.42 1.30 -0.28 0.00 0.00 0.00 0.00 61.98 63.42 3fjk s VAL 109 Cb -0.06 -3.97 0.08 0.00 0.00 0.00 0.00 36.38 32.43 3fjk s VAL 109 CO 0.27 0.31 0.75 -0.83 0.00 0.00 0.00 175.10 175.61 3fjk s GLY 110 N 0.51 -0.50 -0.16 4.51 0.00 -1.26 -4.48 107.32 105.94 3fjk s GLY 110 Ca 0.34 1.82 -0.03 0.00 0.00 0.00 0.00 44.72 46.84 3fjk s GLY 110 CO 0.16 1.40 -0.05 1.08 0.00 0.00 0.00 173.10 175.69 3fjk s LEU 111 N -0.35 3.10 0.85 0.66 1.43 -0.70 0.17 118.68 123.83 3fjk s LEU 111 Ca -0.04 -0.21 -0.12 0.00 -1.03 0.00 0.00 54.13 52.73 3fjk s LEU 111 Cb -0.03 -1.75 0.10 0.00 0.03 0.00 0.00 46.19 44.54 3fjk s LEU 111 CO 0.04 0.13 1.10 -0.54 0.23 0.00 0.00 176.35 177.31 3fjk s LYS 112 N 0.57 1.68 0.64 1.70 1.02 0.86 -4.46 119.74 121.76 3fjk s LYS 112 Ca -0.04 0.70 0.41 0.00 0.02 0.00 0.00 55.97 57.06 3fjk s LYS 112 Cb -0.15 -1.87 2.24 0.00 -0.52 0.00 0.00 37.83 37.53 3fjk s LYS 112 CO 0.03 -1.92 2.32 0.87 -0.92 0.00 0.00 175.35 175.73 3fjk h LYS 113 N -1.31 0.00 -0.35 1.68 1.57 -1.87 -0.66 116.57 115.64 3fjk h LYS 113 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3fjk h LYS 113 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3fjk h LYS 113 CO 0.57 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.73 3fjk n ASN 114 N -3.23 2.36 0.00 0.86 0.23 -1.26 -4.65 115.26 109.57 3fjk n ASN 114 Ca -0.03 -1.90 0.00 0.00 -0.53 0.00 0.00 54.58 52.13 3fjk n ASN 114 Cb 0.09 -0.23 0.00 0.00 -2.08 0.00 0.00 39.78 37.57 3fjk n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3fjk n GLY 115 N 1.25 0.81 3.87 4.83 0.00 -0.25 -4.99 105.19 110.71 3fjk n GLY 115 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.00 6.66 0.34 1.61 1.04 -1.26 0.19 113.70 119.28 3fjk s SER 116 Ca 0.00 0.90 -0.28 0.00 0.48 0.00 0.00 55.95 57.05 3fjk s SER 116 Cb 0.00 -2.22 -0.10 0.00 0.10 0.00 0.00 66.02 63.80 3fjk s SER 116 CO 0.00 0.01 1.27 0.00 0.98 0.00 0.00 173.24 175.51 3fjk s LYS 118 N -1.85 3.78 0.05 0.00 1.02 0.13 -4.81 119.74 118.05 3fjk s LYS 118 Ca 0.50 0.58 -0.08 0.00 0.02 0.00 0.00 55.97 56.99 3fjk s LYS 118 Cb -0.38 -2.30 -0.05 0.00 -0.52 0.00 0.00 37.83 34.58 3fjk s LYS 118 CO 0.50 -0.16 0.34 0.50 -0.92 0.00 0.00 175.35 175.61 3fjk s ARG 119 N -4.13 3.66 0.03 1.68 3.52 -1.26 -4.70 118.95 117.76 3fjk s ARG 119 Ca 0.53 0.03 -0.06 0.00 -0.13 0.00 0.00 55.73 56.10 3fjk s ARG 119 Cb -0.10 -3.02 -0.01 0.00 -1.56 0.00 0.00 34.95 30.25 3fjk s ARG 119 CO 0.35 0.59 0.86 0.41 -0.81 0.00 0.00 175.30 176.70 3fjk n GLY 120 N 0.91 -2.29 0.37 8.12 0.00 0.29 -0.18 105.19 112.42 3fjk n GLY 120 Ca -0.09 0.56 0.19 0.00 0.00 0.00 0.00 46.02 46.68 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 -0.00 1.61 0.11 -1.87 0.28 132.00 132.13 3fjk h PRO 121 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3fjk h PRO 121 Cb 0.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.18 3fjk h PRO 121 CO -0.17 0.00 -0.06 0.54 -0.21 0.00 0.00 178.00 178.10 3fjk n ARG 122 N -3.48 0.39 -3.62 1.05 5.12 0.75 -4.85 116.66 112.02 3fjk n ARG 122 Ca 0.05 -0.06 -0.20 0.00 -1.93 0.00 0.00 57.85 55.71 3fjk n ARG 122 Cb 0.55 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 30.35 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 -2.65 4.39 -0.29 0.55 -4.23 0.10 -4.91 115.64 108.60 3fjk s THR 123 Ca 0.25 -1.01 -0.38 0.00 -1.18 0.00 0.00 61.69 59.37 3fjk s THR 123 Cb 0.20 -3.53 0.16 0.00 1.34 0.00 0.00 72.50 70.67 3fjk s THR 123 CO 0.49 -0.21 1.38 -1.38 -0.54 0.00 0.00 174.62 174.36 3fjk s HIS 124 N -2.12 -0.01 0.55 3.99 -3.43 -1.26 -4.84 115.29 108.15 3fjk s HIS 124 Ca 0.42 0.01 -0.20 0.00 -0.80 0.00 0.00 55.06 54.48 3fjk s HIS 124 Cb -0.09 0.50 -0.06 0.00 -1.43 0.00 0.00 32.58 31.50 3fjk s HIS 124 CO 0.30 -0.02 1.05 0.66 -2.00 0.00 0.00 174.74 174.73 3fjk n TYR 125 N 0.05 1.19 0.00 0.38 4.01 -1.26 -2.79 117.16 118.74 3fjk n TYR 125 Ca 0.05 0.46 0.00 0.00 -0.16 0.00 0.00 57.90 58.25 3fjk n TYR 125 Cb 0.57 -2.20 0.00 0.00 -0.31 0.00 0.00 39.34 37.39 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 1.16 1.87 3.85 2.72 0.00 -1.26 -5.07 105.19 108.46 3fjk n GLY 126 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.96 3.97 0.18 1.61 -0.21 -1.12 -4.99 119.66 118.14 3fjk s GLN 127 Ca 0.00 0.54 0.10 0.00 0.02 0.00 0.00 55.36 56.02 3fjk s GLN 127 Cb 0.00 -2.65 -0.09 0.00 1.00 0.00 0.00 33.01 31.27 3fjk s GLN 127 CO 0.00 0.30 1.34 0.87 -2.12 0.00 0.00 175.29 175.68 3fjk h LYS 128 N 2.73 0.00 -0.05 2.91 1.79 -1.97 -3.25 116.57 118.72 3fjk h LYS 128 Ca -0.48 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.01 3fjk h LYS 128 Cb 1.18 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 3fjk h LYS 128 CO 0.67 0.78 0.07 0.00 -1.08 0.00 0.00 179.45 179.89 3fjk h ALA 129 N 1.21 1.53 -0.00 3.86 0.00 -1.95 -1.79 119.26 122.12 3fjk h ALA 129 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fjk h ALA 129 Cb 1.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3fjk h ALA 129 CO 0.10 -0.10 -0.48 0.44 0.00 0.00 0.00 179.25 179.21 3fjk n ILE 130 N -3.68 0.00 -2.83 0.00 -5.35 -1.23 -1.72 119.36 104.55 3fjk n ILE 130 Ca -0.02 -0.01 -0.43 0.00 -0.27 0.00 0.00 62.75 62.03 3fjk n ILE 130 Cb 0.16 0.25 -0.04 0.00 -1.74 0.00 0.00 39.64 38.28 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 -2.96 4.01 0.25 7.28 1.43 -0.67 -4.37 118.68 123.65 3fjk s LEU 131 Ca 0.12 0.46 0.09 0.00 -1.03 0.00 0.00 54.13 53.78 3fjk s LEU 131 Cb 0.18 -3.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.13 3fjk s LEU 131 CO 0.69 -0.88 0.01 -0.36 0.23 0.00 0.00 176.35 176.03 3fjk s PHE 132 N 3.48 2.74 -0.17 0.29 0.40 0.15 -3.56 117.98 121.32 3fjk s PHE 132 Ca 0.37 -0.20 -0.02 0.00 -0.60 0.00 0.00 56.93 56.48 3fjk s PHE 132 Cb -0.12 -1.23 0.05 0.00 0.51 0.00 0.00 43.02 42.23 3fjk s PHE 132 CO 0.20 0.60 0.01 -1.17 0.70 0.00 0.00 175.22 175.55 3fjk s LEU 133 N -3.56 1.27 0.07 -0.37 0.20 0.54 0.01 118.68 116.84 3fjk s LEU 133 Ca 0.31 -0.70 -0.31 0.00 0.69 0.00 0.00 54.13 54.12 3fjk s LEU 133 Cb -0.07 -0.67 -0.06 0.00 -0.43 0.00 0.00 46.19 44.96 3fjk s LEU 133 CO 0.20 -0.26 1.25 -2.16 -0.29 0.00 0.00 176.35 175.08 3fjk s PRO 134 N 1.80 4.40 0.10 0.98 0.04 -1.26 -1.73 135.00 139.33 3fjk s PRO 134 Ca -0.00 1.84 0.09 0.00 0.04 0.00 0.00 61.00 62.97 3fjk s PRO 134 Cb -0.16 -3.33 -0.03 0.00 0.04 0.00 0.00 34.50 31.02 3fjk s PRO 134 CO -0.07 -0.31 -0.23 -0.51 0.04 0.00 0.00 177.00 175.93 3fjk s LEU 135 N 1.10 2.28 0.49 -3.56 1.43 0.32 -4.93 118.68 115.82 3fjk s LEU 135 Ca 0.60 -0.68 -0.23 0.00 -1.03 0.00 0.00 54.13 52.80 3fjk s LEU 135 Cb -0.31 -0.99 -0.06 0.00 0.03 0.00 0.00 46.19 44.85 3fjk s LEU 135 CO 0.29 0.11 1.28 -2.84 0.23 0.00 0.00 176.35 175.42 3fjk s PRO 136 N -1.82 3.50 0.00 1.29 0.02 -1.26 -0.29 135.00 136.43 3fjk s PRO 136 Ca 0.09 2.06 0.23 0.00 0.02 0.00 0.00 61.00 63.40 3fjk s PRO 136 Cb -0.10 -2.40 1.36 0.00 0.02 0.00 0.00 34.50 33.38 3fjk s PRO 136 CO 0.04 -0.85 1.73 1.33 -0.33 0.00 0.00 177.00 178.92