#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 1.58 -2.94 -1.40 7.35 -1.26 -5.03 117.46 115.75 3fjk n PHE 1 Ca 0.00 -2.33 -0.41 0.00 -0.76 0.00 0.00 57.45 53.95 3fjk n PHE 1 Cb 0.00 -0.27 -0.04 0.00 0.35 0.00 0.00 39.48 39.52 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 -3.63 6.97 0.04 -2.13 0.01 -1.26 -5.04 114.94 109.91 3fjk s ASN 2 Ca 0.32 1.18 0.05 0.00 -0.71 0.00 0.00 52.86 53.70 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 -0.02 -0.29 -0.07 -0.76 -1.51 0.00 0.00 177.10 174.45 3fjk s LEU 3 N 1.63 3.14 0.64 0.60 1.43 -1.26 -1.41 118.68 123.45 3fjk s LEU 3 Ca 0.38 -0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 53.15 3fjk s LEU 3 Cb -0.17 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 3fjk s LEU 3 CO 0.15 0.25 1.04 -2.16 0.23 0.00 0.00 176.35 175.86 3fjk s PRO 4 N -1.69 3.40 0.48 1.29 0.04 -1.26 -4.67 135.00 132.58 3fjk s PRO 4 Ca 0.19 0.79 -0.19 0.00 0.04 0.00 0.00 61.00 61.84 3fjk s PRO 4 Cb -0.11 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.28 3fjk s PRO 4 CO 0.10 -0.73 0.98 -1.25 0.04 0.00 0.00 177.00 176.14 3fjk s PRO 5 N -5.15 4.02 0.00 0.56 0.04 -1.26 -4.95 135.00 128.26 3fjk s PRO 5 Ca 0.56 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.66 3fjk s PRO 5 Cb -0.12 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.28 3fjk s PRO 5 CO 0.54 -0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.78 3fjk n GLY 6 N -1.08 0.94 3.70 0.56 0.00 -1.26 -5.12 105.19 102.93 3fjk n GLY 6 Ca 0.07 -1.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.35 0.02 -0.06 1.61 2.20 -1.26 -5.04 114.94 110.06 3fjk s ASN 7 Ca 0.00 -0.96 0.13 0.00 -0.94 0.00 0.00 52.86 51.09 3fjk s ASN 7 Cb 0.00 0.70 0.41 0.00 -2.00 0.00 0.00 41.25 40.36 3fjk s ASN 7 CO 0.00 -1.34 1.34 -1.22 -2.94 0.00 0.00 177.10 172.93 3fjk n TYR 8 N -0.46 0.69 -0.36 1.54 4.01 -1.26 -4.65 117.16 116.67 3fjk n TYR 8 Ca -0.03 -0.62 0.08 0.00 -0.16 0.00 0.00 57.90 57.16 3fjk n TYR 8 Cb 0.61 -0.13 0.25 0.00 -0.31 0.00 0.00 39.34 39.76 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 2.16 0.92 -5.78 -0.72 1.57 -1.96 -3.44 116.57 109.31 3fjk h LYS 9 Ca 0.00 -0.06 -0.51 0.00 -1.87 0.00 0.00 60.65 58.21 3fjk h LYS 9 Cb 1.00 -0.21 -0.14 0.00 0.08 0.00 0.00 32.23 32.97 3fjk h LYS 9 CO 0.08 0.61 -0.73 0.15 -0.57 0.00 0.00 179.45 178.99 3fjk s LYS 10 N -5.94 1.49 1.13 3.15 1.02 -1.26 -5.13 119.74 114.19 3fjk s LYS 10 Ca -0.12 -1.69 -0.17 0.00 0.02 0.00 0.00 55.97 54.02 3fjk s LYS 10 Cb 0.23 -1.36 0.25 0.00 -0.52 0.00 0.00 37.83 36.43 3fjk s LYS 10 CO 0.81 0.21 1.12 -1.25 -0.92 0.00 0.00 175.35 175.32 3fjk s PRO 11 N -3.61 -0.61 0.29 -1.68 0.04 -1.26 -4.71 135.00 123.46 3fjk s PRO 11 Ca 0.26 0.08 -0.08 0.00 0.04 0.00 0.00 61.00 61.30 3fjk s PRO 11 Cb -0.01 -1.66 -0.00 0.00 0.04 0.00 0.00 34.50 32.87 3fjk s PRO 11 CO 0.10 -3.33 0.47 0.15 0.04 0.00 0.00 177.00 174.44 3fjk s LYS 12 N -5.31 1.71 -0.03 4.56 -0.14 0.25 -4.38 119.74 116.40 3fjk s LYS 12 Ca 0.69 -1.48 0.05 0.00 -1.36 0.00 0.00 55.97 53.88 3fjk s LYS 12 Cb -0.12 0.46 -0.03 0.00 -1.68 0.00 0.00 37.83 36.46 3fjk s LYS 12 CO 0.56 -0.71 -0.18 -0.51 -0.76 0.00 0.00 175.35 173.76 3fjk s LEU 13 N -3.11 2.56 -0.55 3.17 1.43 0.12 -0.49 118.68 121.81 3fjk s LEU 13 Ca 0.26 -0.30 -0.06 0.00 -1.03 0.00 0.00 54.13 53.00 3fjk s LEU 13 Cb -0.00 -1.50 0.14 0.00 0.03 0.00 0.00 46.19 44.86 3fjk s LEU 13 CO 0.14 0.32 0.39 -0.76 0.23 0.00 0.00 176.35 176.67 3fjk s LEU 14 N -0.84 5.59 -0.02 1.79 1.43 -1.26 0.08 118.68 125.45 3fjk s LEU 14 Ca 0.12 -2.31 -0.18 0.00 -1.03 0.00 0.00 54.13 50.72 3fjk s LEU 14 Cb -0.10 -1.95 -0.05 0.00 0.03 0.00 0.00 46.19 44.11 3fjk s LEU 14 CO 0.01 -0.55 0.51 -0.47 0.23 0.00 0.00 176.35 176.08 3fjk s TYR 15 N 0.75 3.67 -0.22 0.29 5.04 -0.95 -1.14 117.35 124.79 3fjk s TYR 15 Ca 0.11 1.07 0.02 0.00 -2.44 0.00 0.00 57.07 55.83 3fjk s TYR 15 Cb -0.22 -2.49 0.04 0.00 0.35 0.00 0.00 41.96 39.64 3fjk s TYR 15 CO -0.03 0.42 -0.16 0.00 -1.34 0.00 0.00 175.55 174.44 3fjk h SER 17 N 7.87 0.00 -0.87 0.00 0.02 -1.86 -0.43 113.55 118.27 3fjk h SER 17 Ca -0.34 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 60.79 3fjk h SER 17 Cb 1.09 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.47 3fjk h SER 17 CO 0.56 0.00 -0.23 -1.13 -1.14 0.00 0.00 176.83 174.89 3fjk h ASN 18 N 0.00 -0.84 0.00 3.07 -1.24 -1.85 -3.05 115.58 111.67 3fjk h ASN 18 Ca 0.09 0.26 0.00 0.00 0.71 0.00 0.00 56.30 57.37 3fjk h ASN 18 Cb 0.46 0.55 0.00 0.00 0.73 0.00 0.00 38.32 40.06 3fjk h ASN 18 CO -0.00 -0.29 0.00 0.61 -1.29 0.00 0.00 177.43 176.46 3fjk n GLY 19 N -1.56 -0.29 1.84 1.57 0.00 -1.22 -4.73 105.19 100.79 3fjk n GLY 19 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.06 0.54 3.71 -0.02 0.00 -0.22 -4.99 105.19 104.16 3fjk n GLY 20 Ca 0.00 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.07 2.88 -0.22 1.61 3.76 -0.92 -4.52 115.29 114.81 3fjk s HIS 21 Ca 0.09 -0.16 -0.07 0.00 -0.15 0.00 0.00 55.06 54.77 3fjk s HIS 21 Cb -0.04 -1.31 -0.04 0.00 1.11 0.00 0.00 32.58 32.30 3fjk s HIS 21 CO 0.16 0.56 0.07 -0.06 -0.85 0.00 0.00 174.74 174.62 3fjk s PHE 22 N -2.10 3.16 0.31 1.40 0.08 0.40 -0.23 117.98 121.00 3fjk s PHE 22 Ca 0.31 -0.15 -0.30 0.00 0.12 0.00 0.00 56.93 56.91 3fjk s PHE 22 Cb -0.08 -2.16 -0.12 0.00 -0.57 0.00 0.00 43.02 40.09 3fjk s PHE 22 CO 0.21 -0.10 1.52 -0.11 -0.10 0.00 0.00 175.22 176.65 3fjk n LEU 23 N 4.25 4.22 -4.09 -0.37 7.94 -0.29 -1.70 117.00 126.96 3fjk n LEU 23 Ca -0.16 1.17 -0.18 0.00 -1.11 0.00 0.00 56.01 55.73 3fjk n LEU 23 Cb 0.52 -1.57 -0.13 0.00 0.53 0.00 0.00 43.42 42.77 3fjk n LEU 23 CO 0.33 0.02 -0.44 -0.60 -1.11 0.00 0.00 177.39 175.59 3fjk s ARG 24 N -0.93 0.75 -0.39 1.96 3.52 0.29 -4.52 118.95 119.63 3fjk s ARG 24 Ca 0.62 -0.66 0.03 0.00 -0.13 0.00 0.00 55.73 55.58 3fjk s ARG 24 Cb -0.52 -0.70 0.11 0.00 -1.56 0.00 0.00 34.95 32.28 3fjk s ARG 24 CO 0.53 0.17 0.13 0.42 -0.81 0.00 0.00 175.30 175.74 3fjk s ILE 25 N -0.85 1.95 0.99 4.11 1.01 -0.96 -1.35 121.20 126.10 3fjk s ILE 25 Ca -0.01 -2.40 -0.12 0.00 0.00 0.00 0.00 60.65 58.12 3fjk s ILE 25 Cb -0.07 -2.41 0.19 0.00 0.01 0.00 0.00 42.46 40.17 3fjk s ILE 25 CO 0.01 -0.70 1.08 -0.76 0.00 0.00 0.00 174.94 174.57 3fjk s LEU 26 N 0.71 1.83 0.36 2.97 1.43 0.13 -4.86 118.68 121.25 3fjk s LEU 26 Ca 0.13 1.57 0.05 0.00 -1.03 0.00 0.00 54.13 54.84 3fjk s LEU 26 Cb -0.21 -3.79 0.71 0.00 0.03 0.00 0.00 46.19 42.92 3fjk s LEU 26 CO -0.09 -3.25 1.98 -0.65 0.23 0.00 0.00 176.35 174.57 3fjk h PRO 27 N -1.97 0.76 -0.04 1.29 0.11 -1.98 -2.50 132.00 127.67 3fjk h PRO 27 Ca -0.53 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.54 3fjk h PRO 27 Cb 1.30 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3fjk h PRO 27 CO 0.52 0.50 0.00 -0.40 -0.21 0.00 0.00 178.00 178.41 3fjk n ASP 28 N -4.46 0.34 0.00 -2.05 5.75 -1.26 -4.86 116.55 110.01 3fjk n ASP 28 Ca 0.09 -1.53 0.00 0.00 -0.01 0.00 0.00 54.79 53.33 3fjk n ASP 28 Cb 0.15 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 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 0.83 0.21 3.75 6.12 0.00 -0.94 -4.97 105.19 110.19 3fjk n GLY 29 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 2.87 -0.06 2.61 2.01 -1.25 -0.36 115.64 119.45 3fjk s THR 30 Ca 0.00 0.78 0.05 0.00 0.31 0.00 0.00 61.69 62.83 3fjk s THR 30 Cb 0.00 -3.50 -0.01 0.00 0.01 0.00 0.00 72.50 69.01 3fjk s THR 30 CO 0.00 0.15 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.16 3fjk s VAL 31 N -0.44 1.87 0.00 3.82 1.01 -1.26 0.18 120.40 125.58 3fjk s VAL 31 Ca 0.54 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.56 3fjk s VAL 31 Cb -0.39 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.39 3fjk s VAL 31 CO 0.45 0.52 0.00 -0.90 0.00 0.00 0.00 175.10 175.18 3fjk n ASP 32 N 3.10 0.00 -4.25 3.32 5.75 -0.45 -4.53 116.55 119.49 3fjk n ASP 32 Ca -0.18 -0.02 -0.14 0.00 -0.01 0.00 0.00 54.79 54.44 3fjk n ASP 32 Cb 0.52 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.51 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 -0.51 1.16 -0.01 6.12 0.00 -0.46 0.10 107.32 113.72 3fjk s GLY 33 Ca 0.00 -1.55 -0.10 0.00 0.00 0.00 0.00 44.72 43.06 3fjk s GLY 33 CO 0.00 -1.57 0.21 -1.08 0.00 0.00 0.00 173.10 170.67 3fjk s THR 34 N -3.49 0.07 -1.15 0.90 -1.32 -0.69 -4.81 115.64 105.14 3fjk s THR 34 Ca 0.20 -0.54 0.27 0.00 -1.21 0.00 0.00 61.69 60.41 3fjk s THR 34 Cb 0.05 -0.49 0.15 0.00 -1.51 0.00 0.00 72.50 70.70 3fjk s THR 34 CO 0.02 -0.30 1.62 0.54 -2.21 0.00 0.00 174.62 174.30 3fjk n ARG 35 N 1.53 0.16 -2.36 7.08 1.74 -1.26 -0.46 116.66 123.09 3fjk n ARG 35 Ca -0.21 -0.07 -0.40 0.00 -0.77 0.00 0.00 57.85 56.40 3fjk n ARG 35 Cb 0.56 -1.50 -0.03 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 -2.89 5.84 0.46 0.55 2.15 -1.26 -4.87 116.67 116.64 3fjk s ASP 36 Ca 0.15 -0.25 0.31 0.00 0.43 0.00 0.00 52.55 53.19 3fjk s ASP 36 Cb 0.18 -2.55 1.64 0.00 -0.30 0.00 0.00 42.92 41.89 3fjk s ASP 36 CO 0.61 -2.04 1.94 0.03 -0.17 0.00 0.00 175.17 175.54 3fjk h ARG 37 N 11.75 0.00 0.00 4.34 3.08 -2.00 0.16 114.38 131.70 3fjk h ARG 37 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.82 3fjk h ARG 37 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 3fjk h ARG 37 CO 1.27 0.00 -0.22 -1.13 -1.07 0.00 0.00 179.97 178.82 3fjk n SER 38 N -2.60 0.38 -4.66 7.04 3.41 -1.26 -4.89 113.62 111.04 3fjk n SER 38 Ca -0.02 0.26 -0.46 0.00 -0.26 0.00 0.00 58.87 58.40 3fjk n SER 38 Cb 0.07 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 63.73 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 -1.72 2.60 -0.36 4.04 -0.08 0.04 -4.87 116.55 116.20 3fjk n ASP 39 Ca 0.06 1.13 0.10 0.00 -1.51 0.00 0.00 54.79 54.56 3fjk n ASP 39 Cb 0.37 -1.39 0.41 0.00 2.34 0.00 0.00 41.12 42.85 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 2.30 1.48 -0.21 -0.67 1.13 -1.26 -3.79 117.38 116.36 3fjk n GLN 40 Ca 0.13 -0.72 0.07 0.00 -1.94 0.00 0.00 57.00 54.54 3fjk n GLN 40 Cb 0.29 -1.35 0.16 0.00 0.11 0.00 0.00 30.24 29.46 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 -0.05 0.43 0.73 1.08 8.25 -1.26 -4.46 115.22 119.95 3fjk n HIS 41 Ca 0.15 -0.75 0.07 0.00 -0.26 0.00 0.00 57.72 56.94 3fjk n HIS 41 Cb 0.23 -0.16 -0.08 0.00 1.12 0.00 0.00 29.99 31.11 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 -0.48 0.00 -2.43 1.59 -5.35 -1.25 -2.27 119.36 109.17 3fjk n ILE 42 Ca 0.14 -0.16 -0.43 0.00 -0.27 0.00 0.00 62.75 62.03 3fjk n ILE 42 Cb 0.60 1.03 -0.02 0.00 -1.74 0.00 0.00 39.64 39.51 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 -2.39 3.93 0.01 6.28 1.11 -1.26 -4.51 119.66 122.82 3fjk s GLN 43 Ca 0.07 1.25 0.07 0.00 0.01 0.00 0.00 55.36 56.76 3fjk s GLN 43 Cb 0.12 -3.87 -0.03 0.00 -1.01 0.00 0.00 33.01 28.22 3fjk s GLN 43 CO 0.61 -1.10 -0.21 -0.51 0.01 0.00 0.00 175.29 174.09 3fjk s LEU 44 N 4.33 2.43 -0.22 2.90 1.43 0.36 -2.02 118.68 127.88 3fjk s LEU 44 Ca 0.56 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 53.22 3fjk s LEU 44 Cb -0.17 -1.44 0.01 0.00 0.03 0.00 0.00 46.19 44.62 3fjk s LEU 44 CO 0.23 0.29 -0.07 -1.58 0.23 0.00 0.00 176.35 175.44 3fjk s GLN 45 N -1.07 3.14 0.14 1.70 2.00 0.12 0.86 119.66 126.56 3fjk s GLN 45 Ca 0.12 -0.77 0.01 0.00 -2.00 0.00 0.00 55.36 52.72 3fjk s GLN 45 Cb -0.10 -2.94 -0.04 0.00 0.80 0.00 0.00 33.01 30.73 3fjk s GLN 45 CO 0.02 -0.27 0.30 -0.51 -0.50 0.00 0.00 175.29 174.33 3fjk s LEU 46 N 1.40 4.31 -0.03 3.68 1.02 -1.26 -1.34 118.68 126.47 3fjk s LEU 46 Ca 0.04 0.27 -0.14 0.00 0.02 0.00 0.00 54.13 54.32 3fjk s LEU 46 Cb -0.15 -3.01 0.02 0.00 0.02 0.00 0.00 46.19 43.08 3fjk s LEU 46 CO -0.05 0.06 0.31 -0.94 0.02 0.00 0.00 176.35 175.74 3fjk s SER 47 N -3.01 -0.21 0.46 2.29 1.04 -0.70 -4.79 113.70 108.78 3fjk s SER 47 Ca 0.36 0.17 -0.13 0.00 0.48 0.00 0.00 55.95 56.83 3fjk s SER 47 Cb -0.12 0.37 -0.07 0.00 0.10 0.00 0.00 66.02 66.30 3fjk s SER 47 CO 0.28 -0.39 0.87 0.00 0.98 0.00 0.00 173.24 174.98 3fjk s ALA 48 N -1.08 3.23 0.00 5.32 0.00 -1.26 0.05 121.76 128.02 3fjk s ALA 48 Ca -0.11 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.80 3fjk s ALA 48 Cb -0.05 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.19 3fjk s ALA 48 CO 0.04 -0.13 0.00 -1.91 0.00 0.00 0.00 175.76 173.75 3fjk n GLU 49 N -1.48 0.00 -2.05 0.00 4.07 -0.57 -4.87 120.64 115.74 3fjk n GLU 49 Ca 0.04 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.85 3fjk n GLU 49 Cb 0.54 0.00 0.04 0.00 -0.06 0.00 0.00 31.44 31.96 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 1.00 5.44 0.24 4.31 0.01 -1.26 -4.88 113.70 118.56 3fjk s SER 50 Ca 0.00 0.97 -0.31 0.00 1.31 0.00 0.00 55.95 57.92 3fjk s SER 50 Cb 0.00 -1.81 -0.13 0.00 0.21 0.00 0.00 66.02 64.28 3fjk s SER 50 CO 0.00 -1.28 1.42 0.52 0.41 0.00 0.00 173.24 174.31 3fjk n VAL 51 N -2.88 0.89 0.00 3.43 0.31 -1.26 -0.18 118.33 118.64 3fjk n VAL 51 Ca 0.06 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 3fjk n VAL 51 Cb 0.58 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 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 2.23 2.27 3.75 2.92 0.00 -1.26 -5.02 105.19 110.07 3fjk n GLY 52 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.41 3.38 0.10 1.61 2.02 0.74 -0.98 118.70 125.16 3fjk s GLU 53 Ca 0.00 -0.29 0.01 0.00 0.02 0.00 0.00 54.97 54.71 3fjk s GLU 53 Cb 0.00 -3.04 -0.04 0.00 0.10 0.00 0.00 34.13 31.15 3fjk s GLU 53 CO 0.00 0.64 -0.04 0.14 0.02 0.00 0.00 175.26 176.01 3fjk s VAL 54 N -0.66 0.58 -0.04 2.63 -7.23 -0.18 -1.51 120.40 113.98 3fjk s VAL 54 Ca 0.12 -1.92 0.02 0.00 -1.81 0.00 0.00 61.98 58.39 3fjk s VAL 54 Cb -0.12 -1.73 -0.03 0.00 0.56 0.00 0.00 36.38 35.06 3fjk s VAL 54 CO 0.02 -0.82 -0.07 -0.31 -0.31 0.00 0.00 175.10 173.61 3fjk s TYR 55 N -3.70 2.91 -0.33 2.82 2.02 0.11 -2.11 117.35 119.06 3fjk s TYR 55 Ca 0.13 -0.01 0.02 0.00 -0.37 0.00 0.00 57.07 56.84 3fjk s TYR 55 Cb 0.06 -1.67 0.08 0.00 -0.40 0.00 0.00 41.96 40.04 3fjk s TYR 55 CO -0.04 0.34 0.03 0.42 -1.57 0.00 0.00 175.55 174.73 3fjk s ILE 56 N -0.88 2.54 -0.07 2.71 1.01 -1.26 -1.72 121.20 123.52 3fjk s ILE 56 Ca 0.14 -1.99 0.01 0.00 0.00 0.00 0.00 60.65 58.81 3fjk s ILE 56 Cb -0.11 -2.70 -0.03 0.00 0.01 0.00 0.00 42.46 39.63 3fjk s ILE 56 CO 0.04 -0.41 -0.08 -0.75 0.00 0.00 0.00 174.94 173.74 3fjk s LYS 57 N 1.04 2.81 -0.06 2.79 2.20 -0.45 -1.49 119.74 126.59 3fjk s LYS 57 Ca 0.03 -0.58 -0.30 0.00 -0.36 0.00 0.00 55.97 54.77 3fjk s LYS 57 Cb -0.20 -2.58 -0.03 0.00 -1.51 0.00 0.00 37.83 33.51 3fjk s LYS 57 CO -0.06 0.60 1.14 0.45 -0.36 0.00 0.00 175.35 177.13 3fjk s SER 58 N -0.65 7.12 0.24 1.43 0.15 0.67 0.15 113.70 122.81 3fjk s SER 58 Ca 0.10 1.75 0.09 0.00 0.70 0.00 0.00 55.95 58.59 3fjk s SER 58 Cb -0.11 -2.56 0.26 0.00 -1.71 0.00 0.00 66.02 61.89 3fjk s SER 58 CO 0.02 -0.53 1.55 0.71 1.20 0.00 0.00 173.24 176.19 3fjk h THR 59 N 4.99 1.48 -0.40 6.45 1.35 -1.74 -1.91 112.91 123.13 3fjk h THR 59 Ca -0.34 -2.30 -0.09 0.00 -0.55 0.00 0.00 66.41 63.12 3fjk h THR 59 Cb 1.16 2.24 -0.01 0.00 -1.73 0.00 0.00 68.15 69.81 3fjk h THR 59 CO 0.86 0.66 -0.12 -0.08 -0.25 0.00 0.00 175.52 176.60 3fjk h GLU 60 N 0.02 0.79 0.00 4.72 4.57 -1.79 -3.36 114.58 119.52 3fjk h GLU 60 Ca -0.01 -0.31 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 3fjk h GLU 60 Cb 1.20 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 3fjk h GLU 60 CO 0.09 0.93 -0.03 0.25 -1.18 0.00 0.00 179.01 179.07 3fjk n THR 61 N -4.31 1.31 -0.75 0.32 -2.24 -1.25 -5.01 114.28 102.36 3fjk n THR 61 Ca -0.01 -1.49 0.00 0.00 -2.27 0.00 0.00 64.05 60.28 3fjk n THR 61 Cb 0.38 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 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 -0.89 0.07 3.82 3.38 0.00 -0.72 -4.95 105.19 105.90 3fjk n GLY 62 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.32 4.14 -0.12 1.61 -0.21 -1.25 -4.75 119.66 117.77 3fjk s GLN 63 Ca 0.00 1.13 -0.04 0.00 0.02 0.00 0.00 55.36 56.46 3fjk s GLN 63 Cb 0.00 -2.16 -0.04 0.00 1.00 0.00 0.00 33.01 31.81 3fjk s GLN 63 CO 0.00 -0.11 0.05 0.71 -2.12 0.00 0.00 175.29 173.82 3fjk s TYR 64 N -2.21 3.28 0.30 0.91 1.51 0.22 -0.24 117.35 121.12 3fjk s TYR 64 Ca 0.62 0.23 -0.29 0.00 -1.01 0.00 0.00 57.07 56.62 3fjk s TYR 64 Cb -0.10 -1.90 -0.09 0.00 -0.11 0.00 0.00 41.96 39.76 3fjk s TYR 64 CO 0.16 0.45 1.10 -1.17 -1.11 0.00 0.00 175.55 174.97 3fjk s LEU 65 N -0.59 4.49 0.06 -1.29 2.96 -0.55 -0.30 118.68 123.45 3fjk s LEU 65 Ca 0.11 2.25 -0.04 0.00 -0.22 0.00 0.00 54.13 56.22 3fjk s LEU 65 Cb -0.12 -3.71 -0.02 0.00 0.50 0.00 0.00 46.19 42.84 3fjk s LEU 65 CO 0.02 -0.20 0.06 0.00 -1.32 0.00 0.00 176.35 174.91 3fjk s MET 67 N -3.66 1.82 0.95 0.00 1.75 -0.76 -1.38 119.30 118.01 3fjk s MET 67 Ca 0.04 -0.41 -0.15 0.00 -1.25 0.00 0.00 55.69 53.92 3fjk s MET 67 Cb 0.05 -1.62 0.20 0.00 2.84 0.00 0.00 34.83 36.29 3fjk s MET 67 CO -0.09 -0.10 1.30 0.16 -0.65 0.00 0.00 175.02 175.64 3fjk s ASP 68 N 1.10 3.18 0.00 1.11 1.47 -0.68 -4.83 116.67 118.02 3fjk s ASP 68 Ca -0.06 0.21 0.12 0.00 1.18 0.00 0.00 52.55 54.01 3fjk s ASP 68 Cb -0.14 -0.27 0.67 0.00 -0.34 0.00 0.00 42.92 42.83 3fjk s ASP 68 CO -0.02 -2.69 1.23 0.35 0.68 0.00 0.00 175.17 174.73 3fjk n THR 69 N -3.71 0.37 0.67 2.11 -2.24 -1.26 -0.71 114.28 109.52 3fjk n THR 69 Ca 0.15 0.09 0.08 0.00 -2.27 0.00 0.00 64.05 62.11 3fjk n THR 69 Cb 0.59 -0.90 0.07 0.00 -2.10 0.00 0.00 70.33 68.00 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 -1.15 2.36 0.00 3.42 8.00 -1.26 -4.98 116.55 122.94 3fjk n ASP 70 Ca 0.07 -1.68 0.00 0.00 0.71 0.00 0.00 54.79 53.89 3fjk n ASP 70 Cb 0.07 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 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 0.91 0.76 3.80 0.44 0.00 0.12 -4.45 105.19 106.76 3fjk n GLY 71 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 4.43 0.25 0.99 1.02 -1.26 0.28 118.68 124.40 3fjk s LEU 72 Ca 0.00 0.97 -0.18 0.00 0.02 0.00 0.00 54.13 54.95 3fjk s LEU 72 Cb 0.00 -2.67 -0.08 0.00 0.02 0.00 0.00 46.19 43.45 3fjk s LEU 72 CO 0.00 0.22 0.72 -0.76 0.02 0.00 0.00 176.35 176.55 3fjk s LEU 73 N -0.59 4.24 0.18 1.79 1.43 -1.26 -1.68 118.68 122.79 3fjk s LEU 73 Ca 0.25 1.35 -0.16 0.00 -1.03 0.00 0.00 54.13 54.54 3fjk s LEU 73 Cb -0.17 -3.75 0.02 0.00 0.03 0.00 0.00 46.19 42.33 3fjk s LEU 73 CO 0.13 -0.05 0.47 -0.72 0.23 0.00 0.00 176.35 176.42 3fjk s TYR 74 N -1.69 -0.04 -0.16 0.29 1.13 -0.48 -4.50 117.35 111.90 3fjk s TYR 74 Ca 0.47 -0.30 -0.10 0.00 -1.41 0.00 0.00 57.07 55.73 3fjk s TYR 74 Cb -0.14 0.31 -0.05 0.00 -1.10 0.00 0.00 41.96 40.98 3fjk s TYR 74 CO 0.20 -0.87 0.16 0.20 -2.51 0.00 0.00 175.55 172.73 3fjk s GLY 75 N -2.88 2.12 0.16 5.49 0.00 0.51 -1.09 107.32 111.63 3fjk s GLY 75 Ca 0.10 -0.63 0.10 0.00 0.00 0.00 0.00 44.72 44.29 3fjk s GLY 75 CO -0.03 -0.01 -0.17 -0.45 0.00 0.00 0.00 173.10 172.44 3fjk s SER 76 N -0.17 3.85 0.14 1.64 0.15 0.58 -4.70 113.70 115.19 3fjk s SER 76 Ca 0.12 -0.67 -0.08 0.00 0.70 0.00 0.00 55.95 56.01 3fjk s SER 76 Cb -0.12 -0.50 -0.04 0.00 -1.71 0.00 0.00 66.02 63.66 3fjk s SER 76 CO 0.01 0.13 1.41 1.56 1.20 0.00 0.00 173.24 177.55 3fjk h GLN 77 N 3.27 0.71 -5.09 5.44 1.08 -1.87 0.64 115.11 119.29 3fjk h GLN 77 Ca -0.48 -0.50 -0.39 0.00 -1.45 0.00 0.00 58.65 55.83 3fjk h GLN 77 Cb 1.19 0.08 -0.14 0.00 -0.05 0.00 0.00 27.48 28.56 3fjk h GLN 77 CO 0.49 1.12 -0.65 0.95 -0.95 0.00 0.00 178.83 179.80 3fjk s THR 78 N -3.92 1.02 0.67 -0.54 -4.23 -1.26 -4.65 115.64 102.72 3fjk s THR 78 Ca -0.09 -2.03 -0.13 0.00 -1.18 0.00 0.00 61.69 58.26 3fjk s THR 78 Cb 0.10 -2.44 -0.00 0.00 1.34 0.00 0.00 72.50 71.50 3fjk s THR 78 CO 0.88 -0.25 1.07 -2.16 -0.54 0.00 0.00 174.62 173.62 3fjk s PRO 79 N -3.88 2.94 0.00 3.99 0.04 -1.26 -4.81 135.00 132.02 3fjk s PRO 79 Ca 0.30 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.48 3fjk s PRO 79 Cb 0.06 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.62 3fjk s PRO 79 CO 0.10 -1.11 0.00 0.27 0.04 0.00 0.00 177.00 176.31 3fjk n ASN 80 N -2.72 0.00 -0.88 6.66 0.23 -1.26 -5.02 115.26 112.27 3fjk n ASN 80 Ca 0.09 -0.29 0.03 0.00 -0.53 0.00 0.00 54.58 53.88 3fjk n ASN 80 Cb 0.53 0.00 0.14 0.00 -2.08 0.00 0.00 39.78 38.37 3fjk n ASN 80 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 3fjk n GLU 81 N 0.00 2.22 -1.32 -3.83 -0.00 -1.26 -3.77 120.64 112.68 3fjk n GLU 81 Ca 0.00 -1.10 0.02 0.00 -0.00 0.00 0.00 57.16 56.07 3fjk n GLU 81 Cb 0.00 -1.64 0.00 0.00 -0.00 0.00 0.00 31.44 29.81 3fjk n GLU 81 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 3fjk n GLU 82 N 0.24 0.00 0.00 3.44 0.28 -1.26 -4.75 120.64 118.59 3fjk n GLU 82 Ca 0.10 -1.71 0.04 0.00 -0.16 0.00 0.00 57.16 55.43 3fjk n GLU 82 Cb 0.50 0.05 0.01 0.00 1.43 0.00 0.00 31.44 33.43 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 -1.36 4.48 0.09 0.00 1.43 -1.26 -4.56 118.68 117.50 3fjk s LEU 84 Ca 0.07 1.40 0.07 0.00 -1.03 0.00 0.00 54.13 54.64 3fjk s LEU 84 Cb 0.07 -3.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.12 3fjk s LEU 84 CO 0.19 0.10 -0.17 -0.36 0.23 0.00 0.00 176.35 176.34 3fjk s PHE 85 N -0.42 1.48 -0.44 0.29 0.08 -0.90 -2.00 117.98 116.07 3fjk s PHE 85 Ca 0.35 -0.45 -0.20 0.00 0.12 0.00 0.00 56.93 56.75 3fjk s PHE 85 Cb -0.20 -0.81 0.03 0.00 -0.57 0.00 0.00 43.02 41.46 3fjk s PHE 85 CO 0.22 0.13 0.61 -0.51 -0.10 0.00 0.00 175.22 175.57 3fjk s LEU 86 N -1.91 4.61 -0.38 -0.37 1.43 0.24 -1.01 118.68 121.28 3fjk s LEU 86 Ca 0.03 -0.46 -0.26 0.00 -1.03 0.00 0.00 54.13 52.42 3fjk s LEU 86 Cb -0.09 -2.64 0.02 0.00 0.03 0.00 0.00 46.19 43.50 3fjk s LEU 86 CO 0.03 -0.76 0.92 -0.70 0.23 0.00 0.00 176.35 176.07 3fjk s GLU 87 N 2.70 3.82 0.14 1.70 2.12 -0.15 -1.71 118.70 127.30 3fjk s GLU 87 Ca 0.20 0.54 0.06 0.00 0.36 0.00 0.00 54.97 56.14 3fjk s GLU 87 Cb -0.15 -3.81 -0.04 0.00 0.26 0.00 0.00 34.13 30.39 3fjk s GLU 87 CO 0.17 -0.97 -0.15 1.03 -0.54 0.00 0.00 175.26 174.81 3fjk s ARG 88 N 3.49 1.08 0.56 4.30 1.81 -0.36 -4.70 118.95 125.14 3fjk s ARG 88 Ca 0.38 -1.30 -0.15 0.00 -1.72 0.00 0.00 55.73 52.94 3fjk s ARG 88 Cb -0.12 -0.97 -0.06 0.00 -0.45 0.00 0.00 34.95 33.35 3fjk s ARG 88 CO 0.19 0.18 1.01 -1.17 -0.68 0.00 0.00 175.30 174.84 3fjk s LEU 89 N -2.58 3.48 -0.14 2.53 2.96 -0.50 -0.53 118.68 123.90 3fjk s LEU 89 Ca 0.11 1.58 -0.08 0.00 -0.22 0.00 0.00 54.13 55.53 3fjk s LEU 89 Cb -0.04 -4.50 0.05 0.00 0.50 0.00 0.00 46.19 42.20 3fjk s LEU 89 CO 0.04 -0.81 0.34 -0.70 -1.32 0.00 0.00 176.35 173.90 3fjk s GLU 90 N -4.39 0.32 -1.84 1.98 2.56 -0.31 -4.77 118.70 112.25 3fjk s GLU 90 Ca 0.59 0.66 0.00 0.00 0.00 0.00 0.00 54.97 56.22 3fjk s GLU 90 Cb -0.11 -0.05 0.00 0.00 2.00 0.00 0.00 34.13 35.97 3fjk s GLU 90 CO 0.39 -0.15 0.00 0.39 -0.56 0.00 0.00 175.26 175.33 3fjk n GLU 91 N 4.16 -1.53 -1.43 4.30 1.02 -1.26 -1.30 120.64 124.60 3fjk n GLU 91 Ca -0.23 1.05 -0.15 0.00 -0.02 0.00 0.00 57.16 57.80 3fjk n GLU 91 Cb 0.54 -5.57 -0.06 0.00 -0.02 0.00 0.00 31.44 26.33 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 -1.62 -5.38 0.16 1.62 4.13 -1.26 -4.68 115.26 108.22 3fjk n ASN 92 Ca -0.22 0.37 0.00 0.00 1.68 0.00 0.00 54.58 56.40 3fjk n ASN 92 Cb 0.67 -4.19 0.00 0.00 -1.54 0.00 0.00 39.78 34.72 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 -2.37 -2.86 -1.35 3.10 -0.00 -0.77 -5.14 115.22 105.83 3fjk n HIS 93 Ca -0.15 0.64 -0.29 0.00 -0.00 0.00 0.00 57.72 57.92 3fjk n HIS 93 Cb 0.59 1.18 0.16 0.00 -0.00 0.00 0.00 29.99 31.92 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 -1.93 2.31 -0.08 1.57 1.51 -0.42 -4.76 117.35 115.55 3fjk s TYR 94 Ca 0.00 0.92 0.01 0.00 -1.01 0.00 0.00 57.07 56.98 3fjk s TYR 94 Cb 0.00 -3.33 -0.03 0.00 -0.11 0.00 0.00 41.96 38.50 3fjk s TYR 94 CO 0.00 -2.64 -0.09 -0.80 -1.11 0.00 0.00 175.55 170.91 3fjk s ASN 95 N -3.75 4.42 0.07 2.29 -0.87 0.12 -1.16 114.94 116.06 3fjk s ASN 95 Ca 0.65 -0.12 0.07 0.00 -1.57 0.00 0.00 52.86 51.89 3fjk s ASN 95 Cb -0.17 -1.22 -0.03 0.00 -0.02 0.00 0.00 41.25 39.81 3fjk s ASN 95 CO 0.55 0.31 -0.19 0.42 -2.57 0.00 0.00 177.10 175.62 3fjk s THR 96 N -0.49 1.56 -0.25 1.60 -4.23 0.31 -0.52 115.64 113.63 3fjk s THR 96 Ca 0.07 -1.31 0.02 0.00 -1.18 0.00 0.00 61.69 59.28 3fjk s THR 96 Cb -0.12 -1.40 0.05 0.00 1.34 0.00 0.00 72.50 72.37 3fjk s THR 96 CO 0.02 0.04 -0.12 -0.31 -0.54 0.00 0.00 174.62 173.71 3fjk s TYR 97 N -0.98 3.15 -0.12 3.99 2.02 -1.26 -1.23 117.35 122.92 3fjk s TYR 97 Ca 0.05 -2.09 -0.03 0.00 -0.37 0.00 0.00 57.07 54.63 3fjk s TYR 97 Cb -0.09 -1.95 -0.03 0.00 -0.40 0.00 0.00 41.96 39.48 3fjk s TYR 97 CO 0.03 -0.85 0.00 0.42 -1.57 0.00 0.00 175.55 173.58 3fjk s ILE 98 N 1.17 4.29 -0.23 2.71 1.01 -0.69 -1.25 121.20 128.20 3fjk s ILE 98 Ca -0.05 -0.24 -0.28 0.00 0.00 0.00 0.00 60.65 60.08 3fjk s ILE 98 Cb -0.18 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 3fjk s ILE 98 CO -0.06 0.55 2.03 -0.55 0.00 0.00 0.00 174.94 176.91 3fjk s SER 99 N -0.34 5.72 0.11 3.58 0.15 -0.67 0.81 113.70 123.06 3fjk s SER 99 Ca 0.07 1.75 -0.31 0.00 0.70 0.00 0.00 55.95 58.15 3fjk s SER 99 Cb -0.12 -2.52 -0.10 0.00 -1.71 0.00 0.00 66.02 61.57 3fjk s SER 99 CO 0.02 -1.77 1.59 0.50 1.20 0.00 0.00 173.24 174.78 3fjk h LYS 100 N 13.77 -0.64 -0.99 5.44 3.64 -1.73 0.66 116.57 136.72 3fjk h LYS 100 Ca -0.39 0.04 0.26 0.00 -1.27 0.00 0.00 60.65 59.29 3fjk h LYS 100 Cb 1.21 0.15 -0.13 0.00 -0.41 0.00 0.00 32.23 33.05 3fjk h LYS 100 CO 0.98 -0.43 0.56 -0.22 -2.27 0.00 0.00 179.45 178.08 3fjk h LYS 101 N -0.66 0.49 -0.52 1.90 3.64 -1.86 -0.43 116.57 119.13 3fjk h LYS 101 Ca 0.02 -0.03 -0.26 0.00 -1.27 0.00 0.00 60.65 59.11 3fjk h LYS 101 Cb 0.68 -0.11 -0.16 0.00 -0.41 0.00 0.00 32.23 32.24 3fjk h LYS 101 CO -0.24 0.32 0.11 0.72 -2.27 0.00 0.00 179.45 178.09 3fjk n HIS 102 N -4.94 1.61 -0.17 1.91 8.25 -0.51 -4.72 115.22 116.64 3fjk n HIS 102 Ca 0.27 -1.64 -0.02 0.00 -0.26 0.00 0.00 57.72 56.07 3fjk n HIS 102 Cb 0.78 -0.61 0.07 0.00 1.12 0.00 0.00 29.99 31.36 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 1.06 0.59 0.00 -1.41 0.00 0.20 -0.97 119.26 118.74 3fjk h ALA 103 Ca 0.32 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3fjk h ALA 103 Cb 1.97 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.90 3fjk h ALA 103 CO 0.57 -0.30 0.00 1.49 0.00 0.00 0.00 179.25 181.01 3fjk h GLU 104 N 0.25 0.00 -0.01 0.00 4.81 -1.84 -0.97 114.58 116.82 3fjk h GLU 104 Ca 0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3fjk h GLU 104 Cb 0.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3fjk h GLU 104 CO -0.33 0.00 -0.33 1.63 -0.73 0.00 0.00 179.01 179.25 3fjk n LYS 105 N -2.77 0.98 -3.40 1.92 5.02 -0.38 -4.95 118.16 114.58 3fjk n LYS 105 Ca -0.02 -0.68 -0.19 0.00 -2.02 0.00 0.00 58.31 55.40 3fjk n LYS 105 Cb 0.08 -1.49 0.07 0.00 -0.02 0.00 0.00 35.03 33.67 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 -0.42 -4.47 -4.62 4.39 4.13 -0.37 -4.96 115.26 108.94 3fjk n ASN 106 Ca 0.11 -0.50 -0.41 0.00 1.68 0.00 0.00 54.58 55.46 3fjk n ASN 106 Cb 0.39 -4.55 -0.06 0.00 -1.54 0.00 0.00 39.78 34.02 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 -3.30 3.26 0.28 3.10 0.52 -1.23 -4.30 118.94 117.27 3fjk s TRP 107 Ca 0.33 0.83 0.10 0.00 0.02 0.00 0.00 56.10 57.38 3fjk s TRP 107 Cb -0.14 -2.99 -0.04 0.00 -1.15 0.00 0.00 33.47 29.14 3fjk s TRP 107 CO 0.65 -0.42 -0.02 -0.06 0.02 0.00 0.00 176.95 177.12 3fjk s PHE 108 N 2.68 2.63 0.10 -1.98 0.40 -1.26 -1.66 117.98 118.90 3fjk s PHE 108 Ca 0.29 -0.26 -0.30 0.00 -0.60 0.00 0.00 56.93 56.05 3fjk s PHE 108 Cb -0.15 -1.23 -0.06 0.00 0.51 0.00 0.00 43.02 42.10 3fjk s PHE 108 CO 0.10 0.60 0.98 0.08 0.70 0.00 0.00 175.22 177.68 3fjk s VAL 109 N -2.37 4.48 0.07 -0.44 1.01 -0.38 -4.59 120.40 118.17 3fjk s VAL 109 Ca 0.32 2.02 -0.26 0.00 0.00 0.00 0.00 61.98 64.06 3fjk s VAL 109 Cb -0.05 -4.29 0.08 0.00 0.00 0.00 0.00 36.38 32.11 3fjk s VAL 109 CO 0.19 0.29 0.67 -0.83 0.00 0.00 0.00 175.10 175.43 3fjk s GLY 110 N 0.11 -0.58 -0.08 4.51 0.00 -1.26 -4.44 107.32 105.58 3fjk s GLY 110 Ca 0.48 0.85 0.03 0.00 0.00 0.00 0.00 44.72 46.08 3fjk s GLY 110 CO 0.30 0.45 -0.16 1.08 0.00 0.00 0.00 173.10 174.77 3fjk s LEU 111 N -2.19 1.77 1.07 0.66 1.43 0.01 -1.31 118.68 120.13 3fjk s LEU 111 Ca -0.02 -0.39 -0.15 0.00 -1.03 0.00 0.00 54.13 52.54 3fjk s LEU 111 Cb -0.01 -1.03 0.23 0.00 0.03 0.00 0.00 46.19 45.41 3fjk s LEU 111 CO -0.05 0.06 1.11 -0.54 0.23 0.00 0.00 176.35 177.16 3fjk s LYS 112 N 0.63 -0.19 0.32 1.70 1.02 0.16 -4.49 119.74 118.89 3fjk s LYS 112 Ca -0.14 0.25 0.07 0.00 0.02 0.00 0.00 55.97 56.17 3fjk s LYS 112 Cb -0.16 -1.69 0.55 0.00 -0.52 0.00 0.00 37.83 36.01 3fjk s LYS 112 CO 0.04 -3.09 1.76 0.87 -0.92 0.00 0.00 175.35 174.02 3fjk h LYS 113 N -2.14 0.23 0.00 1.68 1.57 -1.86 -2.82 116.57 113.24 3fjk h LYS 113 Ca -0.51 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 3fjk h LYS 113 Cb 1.32 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3fjk h LYS 113 CO 0.49 0.55 0.00 0.27 -0.57 0.00 0.00 179.45 180.19 3fjk n ASN 114 N -4.09 0.00 0.00 0.86 6.94 -1.26 -4.52 115.26 113.19 3fjk n ASN 114 Ca -0.01 -0.92 0.00 0.00 -0.02 0.00 0.00 54.58 53.63 3fjk n ASN 114 Cb 0.42 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.82 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 0.96 0.45 3.91 4.83 0.00 -1.06 -5.05 105.19 109.23 3fjk n GLY 115 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.84 6.44 0.73 1.61 1.04 -1.26 -1.36 113.70 118.06 3fjk s SER 116 Ca 0.00 0.56 -0.14 0.00 0.48 0.00 0.00 55.95 56.85 3fjk s SER 116 Cb 0.00 -2.08 0.04 0.00 0.10 0.00 0.00 66.02 64.08 3fjk s SER 116 CO 0.00 -0.07 1.14 0.00 0.98 0.00 0.00 173.24 175.30 3fjk s LYS 118 N -4.22 3.60 0.01 0.00 1.02 -0.43 -4.65 119.74 115.08 3fjk s LYS 118 Ca 0.68 -0.07 -0.20 0.00 0.02 0.00 0.00 55.97 56.40 3fjk s LYS 118 Cb -0.23 -2.68 -0.06 0.00 -0.52 0.00 0.00 37.83 34.35 3fjk s LYS 118 CO 0.47 0.23 0.57 0.50 -0.92 0.00 0.00 175.35 176.21 3fjk s ARG 119 N -3.58 4.27 0.25 1.68 6.06 -1.26 -4.69 118.95 121.67 3fjk s ARG 119 Ca 0.43 0.71 -0.14 0.00 -2.50 0.00 0.00 55.73 54.22 3fjk s ARG 119 Cb -0.11 -3.31 0.31 0.00 0.06 0.00 0.00 34.95 31.91 3fjk s ARG 119 CO 0.30 0.46 1.56 0.78 -2.50 0.00 0.00 175.30 175.90 3fjk h GLY 120 N 5.31 0.29 2.00 8.12 0.00 -0.39 0.81 103.07 119.21 3fjk h GLY 120 Ca -0.47 0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3fjk h GLY 120 CO 0.68 -0.26 0.00 -1.05 0.00 0.00 0.00 176.54 175.90 3fjk n PRO 121 N -5.53 0.17 -0.47 4.80 -0.02 -1.26 -2.08 135.00 130.61 3fjk n PRO 121 Ca 0.12 0.56 0.11 0.00 -2.02 0.00 0.00 63.50 62.27 3fjk n PRO 121 Cb 0.43 -1.94 0.34 0.00 -0.02 0.00 0.00 33.50 32.32 3fjk n PRO 121 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3fjk n ARG 122 N -2.27 3.10 -4.28 -0.52 5.12 0.28 -4.93 116.66 113.15 3fjk n ARG 122 Ca -0.00 -2.77 -0.26 0.00 -1.93 0.00 0.00 57.85 52.89 3fjk n ARG 122 Cb 0.11 -1.70 -0.09 0.00 -1.16 0.00 0.00 32.46 29.63 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 -1.30 3.31 -0.07 0.55 -4.23 -0.88 -4.87 115.64 108.15 3fjk s THR 123 Ca 0.51 -1.69 -0.31 0.00 -1.18 0.00 0.00 61.69 59.01 3fjk s THR 123 Cb 0.29 -2.68 0.12 0.00 1.34 0.00 0.00 72.50 71.57 3fjk s THR 123 CO 0.31 -0.17 1.11 -1.38 -0.54 0.00 0.00 174.62 173.95 3fjk s HIS 124 N -1.85 -0.17 0.47 3.99 -3.43 -1.26 -4.73 115.29 108.30 3fjk s HIS 124 Ca 0.27 0.06 -0.21 0.00 -0.80 0.00 0.00 55.06 54.37 3fjk s HIS 124 Cb -0.08 0.54 -0.11 0.00 -1.43 0.00 0.00 32.58 31.50 3fjk s HIS 124 CO 0.17 -0.38 0.63 0.66 -2.00 0.00 0.00 174.74 173.82 3fjk n TYR 125 N -0.25 -0.23 -0.13 0.38 4.01 -1.26 -2.74 117.16 116.94 3fjk n TYR 125 Ca -0.04 0.54 0.00 0.00 -0.16 0.00 0.00 57.90 58.24 3fjk n TYR 125 Cb 0.60 -2.02 0.00 0.00 -0.31 0.00 0.00 39.34 37.61 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 1.67 1.61 3.81 2.72 0.00 -1.26 -5.05 105.19 108.69 3fjk n GLY 126 Ca 0.11 0.00 -0.35 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 -0.39 4.29 0.24 1.61 -0.21 -1.11 -4.96 119.66 119.13 3fjk s GLN 127 Ca 0.00 1.02 0.03 0.00 0.02 0.00 0.00 55.36 56.44 3fjk s GLN 127 Cb 0.00 -2.59 0.27 0.00 1.00 0.00 0.00 33.01 31.69 3fjk s GLN 127 CO 0.00 0.21 1.59 0.87 -2.12 0.00 0.00 175.29 175.83 3fjk h LYS 128 N 2.74 0.31 0.00 2.91 1.79 -1.96 -3.21 116.57 119.14 3fjk h LYS 128 Ca -0.48 -0.19 -0.00 0.00 -2.18 0.00 0.00 60.65 57.80 3fjk h LYS 128 Cb 1.19 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.85 3fjk h LYS 128 CO 0.64 0.77 -0.00 0.00 -1.08 0.00 0.00 179.45 179.78 3fjk h ALA 129 N 1.19 1.19 -0.01 3.86 0.00 -1.93 -2.40 119.26 121.17 3fjk h ALA 129 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fjk h ALA 129 Cb 1.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3fjk h ALA 129 CO 0.09 0.00 -0.46 0.44 0.00 0.00 0.00 179.25 179.32 3fjk n ILE 130 N -3.37 0.00 -2.86 0.00 -5.35 -1.21 -0.81 119.36 105.75 3fjk n ILE 130 Ca -0.03 -0.12 -0.42 0.00 -0.27 0.00 0.00 62.75 61.92 3fjk n ILE 130 Cb 0.08 0.66 -0.04 0.00 -1.74 0.00 0.00 39.64 38.60 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 -2.66 4.07 0.18 7.28 1.43 -0.90 -4.47 118.68 123.61 3fjk s LEU 131 Ca 0.18 1.00 0.11 0.00 -1.03 0.00 0.00 54.13 54.39 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 0.62 -0.57 -0.23 -0.36 0.23 0.00 0.00 176.35 176.03 3fjk s PHE 132 N 2.95 2.20 -0.19 0.29 0.40 0.32 -3.97 117.98 119.99 3fjk s PHE 132 Ca 0.36 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 56.31 3fjk s PHE 132 Cb -0.15 -1.09 0.04 0.00 0.51 0.00 0.00 43.02 42.33 3fjk s PHE 132 CO 0.09 0.46 -0.07 -1.17 0.70 0.00 0.00 175.22 175.23 3fjk s LEU 133 N -2.63 1.98 -0.32 -0.37 2.96 0.13 0.16 118.68 120.59 3fjk s LEU 133 Ca 0.19 -0.82 -0.29 0.00 -0.22 0.00 0.00 54.13 52.99 3fjk s LEU 133 Cb -0.08 -1.06 -0.00 0.00 0.50 0.00 0.00 46.19 45.55 3fjk s LEU 133 CO 0.09 -0.18 1.38 -2.16 -1.32 0.00 0.00 176.35 174.16 3fjk s PRO 134 N 1.52 3.81 0.13 0.98 0.04 -1.26 -2.24 135.00 137.97 3fjk s PRO 134 Ca -0.01 1.23 0.07 0.00 0.04 0.00 0.00 61.00 62.32 3fjk s PRO 134 Cb -0.16 -3.94 -0.04 0.00 0.04 0.00 0.00 34.50 30.40 3fjk s PRO 134 CO -0.08 -1.27 -0.03 -0.51 0.04 0.00 0.00 177.00 175.16 3fjk s LEU 135 N 4.78 3.28 0.50 -3.56 1.43 0.11 -4.89 118.68 120.33 3fjk s LEU 135 Ca 0.60 -0.33 -0.22 0.00 -1.03 0.00 0.00 54.13 53.14 3fjk s LEU 135 Cb -0.17 -1.99 -0.06 0.00 0.03 0.00 0.00 46.19 44.00 3fjk s LEU 135 CO 0.26 0.14 1.27 -2.84 0.23 0.00 0.00 176.35 175.41 3fjk s PRO 136 N -2.57 3.44 0.00 1.29 0.02 -1.26 0.16 135.00 136.07 3fjk s PRO 136 Ca 0.25 2.02 0.30 0.00 0.02 0.00 0.00 61.00 63.59 3fjk s PRO 136 Cb -0.10 -2.33 1.77 0.00 0.02 0.00 0.00 34.50 33.85 3fjk s PRO 136 CO 0.17 -0.89 2.10 1.33 -0.33 0.00 0.00 177.00 179.39