#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fkk s VAL 2 N 0.00 5.29 0.03 1.61 0.11 -1.26 -1.33 120.40 124.85 1fkk s VAL 2 Ca 0.00 -0.01 0.06 0.00 -2.93 0.00 0.00 61.98 59.10 1fkk s VAL 2 Cb 0.00 -3.36 -0.02 0.00 -1.53 0.00 0.00 36.38 31.47 1fkk s VAL 2 CO 0.00 0.50 -0.16 0.00 -3.33 0.00 0.00 175.10 172.11 1fkk s GLN 3 N -1.36 1.14 -0.25 1.54 -2.07 0.18 -4.94 119.66 113.90 1fkk s GLN 3 Ca 0.19 -0.78 0.01 0.00 -1.82 0.00 0.00 55.36 52.96 1fkk s GLN 3 Cb -0.12 -1.18 0.05 0.00 -1.09 0.00 0.00 33.01 30.67 1fkk s GLN 3 CO 0.09 0.30 -0.09 0.08 -1.32 0.00 0.00 175.29 174.35 1fkk s VAL 4 N -0.74 2.44 0.01 3.63 1.01 -1.26 -1.41 120.40 124.08 1fkk s VAL 4 Ca 0.04 -1.37 -0.01 0.00 0.00 0.00 0.00 61.98 60.65 1fkk s VAL 4 Cb -0.08 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 1fkk s VAL 4 CO 0.01 0.09 0.13 -1.61 0.00 0.00 0.00 175.10 173.72 1fkk s GLU 5 N 1.20 3.21 0.29 2.72 2.02 -0.01 -4.90 118.70 123.22 1fkk s GLU 5 Ca -0.04 -0.46 -0.19 0.00 0.02 0.00 0.00 54.97 54.30 1fkk s GLU 5 Cb -0.18 -2.94 -0.09 0.00 0.10 0.00 0.00 34.13 31.02 1fkk s GLU 5 CO -0.05 0.64 0.78 0.99 0.02 0.00 0.00 175.26 177.63 1fkk s THR 6 N -1.30 4.54 -0.01 3.63 2.01 -1.26 0.80 115.64 124.05 1fkk s THR 6 Ca 0.27 1.26 0.01 0.00 0.31 0.00 0.00 61.69 63.54 1fkk s THR 6 Cb -0.12 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.60 1fkk s THR 6 CO 0.18 0.02 0.00 -0.38 -0.69 0.00 0.00 174.62 173.76 1fkk n ILE 7 N 0.22 0.08 -3.78 1.82 5.41 0.12 -4.73 119.36 118.51 1fkk n ILE 7 Ca 0.01 -0.05 -0.14 0.00 1.00 0.00 0.00 62.75 63.57 1fkk n ILE 7 Cb 0.52 -0.90 -0.15 0.00 -0.71 0.00 0.00 39.64 38.39 1fkk n ILE 7 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1fkk s SER 8 N -3.31 0.01 0.41 4.38 0.01 0.12 -4.91 113.70 110.42 1fkk s SER 8 Ca -0.01 0.10 -0.25 0.00 1.31 0.00 0.00 55.95 57.10 1fkk s SER 8 Cb 0.00 0.01 -0.08 0.00 0.21 0.00 0.00 66.02 66.16 1fkk s SER 8 CO 0.05 -0.11 1.15 -2.16 0.41 0.00 0.00 173.24 172.58 1fkk s PRO 9 N 0.89 4.03 0.00 12.44 0.04 -1.26 -1.81 135.00 149.34 1fkk s PRO 9 Ca -0.07 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1fkk s PRO 9 Cb -0.10 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.82 1fkk s PRO 9 CO -0.03 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.10 1fkk n GLY 10 N 0.57 3.05 0.00 0.56 0.00 -1.26 -4.47 105.19 103.64 1fkk n GLY 10 Ca 0.05 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1fkk n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fkk n ASP 11 N -1.94 0.00 0.00 1.61 5.75 0.27 -4.72 116.55 117.53 1fkk n ASP 11 Ca 0.00 0.45 0.00 0.00 -0.01 0.00 0.00 54.79 55.23 1fkk n ASP 11 Cb 0.00 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.64 1fkk n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fkk n GLY 12 N -1.45 0.68 0.00 6.12 0.00 -1.26 -4.67 105.19 104.61 1fkk n GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1fkk n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fkk n ARG 13 N -2.23 0.00 -2.95 1.61 1.74 -1.26 -5.01 116.66 108.55 1fkk n ARG 13 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 1fkk n ARG 13 Cb 0.03 -0.45 -0.05 0.00 -1.02 0.00 0.00 32.46 30.97 1fkk n ARG 13 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1fkk s THR 14 N -1.00 4.85 0.03 0.55 2.01 -1.26 -5.01 115.64 115.81 1fkk s THR 14 Ca 0.00 1.38 0.08 0.00 0.31 0.00 0.00 61.69 63.46 1fkk s THR 14 Cb 0.00 -4.09 -0.02 0.00 0.01 0.00 0.00 72.50 68.40 1fkk s THR 14 CO 0.00 -0.10 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.23 1fkk s PHE 15 N 2.81 2.12 0.29 4.92 0.08 -1.26 -1.77 117.98 125.17 1fkk s PHE 15 Ca 0.32 -0.40 -0.30 0.00 0.12 0.00 0.00 56.93 56.68 1fkk s PHE 15 Cb -0.15 -1.29 -0.12 0.00 -0.57 0.00 0.00 43.02 40.89 1fkk s PHE 15 CO 0.09 0.07 1.58 -2.30 -0.10 0.00 0.00 175.22 174.57 1fkk n PRO 16 N 1.98 2.66 -4.07 0.24 -0.02 -1.26 -5.03 135.00 129.50 1fkk n PRO 16 Ca -0.17 0.95 -0.29 0.00 -2.02 0.00 0.00 63.50 61.97 1fkk n PRO 16 Cb 0.52 -2.72 -0.06 0.00 -0.02 0.00 0.00 33.50 31.22 1fkk n PRO 16 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1fkk s LYS 17 N -0.53 2.84 0.01 -0.52 -0.14 -1.26 -4.93 119.74 115.21 1fkk s LYS 17 Ca 0.64 -0.79 -0.36 0.00 -1.36 0.00 0.00 55.97 54.10 1fkk s LYS 17 Cb -0.51 -2.67 -0.15 0.00 -1.68 0.00 0.00 37.83 32.83 1fkk s LYS 17 CO 0.49 0.53 1.56 0.54 -0.76 0.00 0.00 175.35 177.71 1fkk n ARG 18 N 0.15 1.56 0.00 1.68 1.74 -1.26 -1.62 116.66 118.90 1fkk n ARG 18 Ca -0.09 0.57 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 1fkk n ARG 18 Cb 0.53 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.69 1fkk n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fkk n GLY 19 N 3.36 0.62 3.88 -0.13 0.00 0.89 -4.98 105.19 108.83 1fkk n GLY 19 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1fkk n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fkk s GLN 20 N -0.81 3.77 -0.27 1.61 -0.21 -0.64 -4.78 119.66 118.33 1fkk s GLN 20 Ca 0.00 0.36 -0.20 0.00 0.02 0.00 0.00 55.36 55.54 1fkk s GLN 20 Cb 0.00 -2.48 -0.02 0.00 1.00 0.00 0.00 33.01 31.51 1fkk s GLN 20 CO 0.00 0.08 0.60 0.99 -2.12 0.00 0.00 175.29 174.84 1fkk s THR 21 N -2.20 4.99 -0.16 -0.19 2.01 -1.10 -0.70 115.64 118.30 1fkk s THR 21 Ca 0.49 0.97 -0.27 0.00 0.31 0.00 0.00 61.69 63.20 1fkk s THR 21 Cb -0.10 -3.92 -0.01 0.00 0.01 0.00 0.00 72.50 68.47 1fkk s THR 21 CO 0.28 -0.01 0.90 0.00 -0.69 0.00 0.00 174.62 175.10 1fkk s VAL 23 N 2.22 4.73 0.07 0.00 1.01 0.20 -2.57 120.40 126.06 1fkk s VAL 23 Ca 0.41 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.36 1fkk s VAL 23 Cb -0.17 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 1fkk s VAL 23 CO 0.13 0.45 -0.07 0.68 0.00 0.00 0.00 175.10 176.29 1fkk s VAL 24 N 0.46 0.62 -0.15 2.92 -7.23 0.23 -1.75 120.40 115.50 1fkk s VAL 24 Ca 0.03 -1.58 0.01 0.00 -1.81 0.00 0.00 61.98 58.63 1fkk s VAL 24 Cb -0.13 -1.24 0.00 0.00 0.56 0.00 0.00 36.38 35.58 1fkk s VAL 24 CO 0.01 -0.68 -0.18 -1.00 -0.31 0.00 0.00 175.10 172.94 1fkk s HIS 25 N -2.71 2.74 0.27 2.82 3.76 -0.89 -0.59 115.29 120.70 1fkk s HIS 25 Ca 0.03 -1.18 0.04 0.00 -0.15 0.00 0.00 55.06 53.79 1fkk s HIS 25 Cb -0.01 -1.87 -0.06 0.00 1.11 0.00 0.00 32.58 31.76 1fkk s HIS 25 CO -0.03 -0.55 0.03 1.52 -0.85 0.00 0.00 174.74 174.86 1fkk s TYR 26 N 0.86 1.74 -0.03 1.40 1.13 -1.26 -1.41 117.35 119.78 1fkk s TYR 26 Ca -0.05 -0.95 0.02 0.00 -1.41 0.00 0.00 57.07 54.68 1fkk s TYR 26 Cb -0.15 -1.06 0.01 0.00 -1.10 0.00 0.00 41.96 39.66 1fkk s TYR 26 CO -0.02 -0.03 -0.07 0.99 -2.51 0.00 0.00 175.55 173.92 1fkk s THR 27 N -3.38 0.62 -0.14 -3.49 2.01 -0.61 -1.77 115.64 108.89 1fkk s THR 27 Ca 0.33 -0.24 -0.03 0.00 0.31 0.00 0.00 61.69 62.05 1fkk s THR 27 Cb 0.07 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.97 1fkk s THR 27 CO 0.12 0.21 -0.04 -0.83 -0.69 0.00 0.00 174.62 173.40 1fkk s GLY 28 N 0.41 1.73 0.06 4.40 0.00 0.16 -1.38 107.32 112.70 1fkk s GLY 28 Ca -0.06 -0.82 -0.01 0.00 0.00 0.00 0.00 44.72 43.83 1fkk s GLY 28 CO 0.00 -0.19 -0.02 -3.16 0.00 0.00 0.00 173.10 169.73 1fkk s MET 29 N 0.09 0.65 0.69 2.90 0.23 -0.21 0.63 119.30 124.27 1fkk s MET 29 Ca -0.00 -1.25 -0.11 0.00 -1.03 0.00 0.00 55.69 53.30 1fkk s MET 29 Cb -0.13 0.21 0.00 0.00 -1.53 0.00 0.00 34.83 33.38 1fkk s MET 29 CO 0.03 -0.13 1.06 -0.51 -2.03 0.00 0.00 175.02 173.44 1fkk s LEU 30 N -2.94 3.09 0.52 0.18 1.43 0.24 -1.49 118.68 119.71 1fkk s LEU 30 Ca 0.09 1.52 0.25 0.00 -1.03 0.00 0.00 54.13 54.96 1fkk s LEU 30 Cb 0.08 -4.40 1.38 0.00 0.03 0.00 0.00 46.19 43.28 1fkk s LEU 30 CO -0.09 -1.35 1.98 -0.08 0.23 0.00 0.00 176.35 177.04 1fkk h GLU 31 N -0.66 0.03 -1.33 1.70 4.81 -1.84 0.92 114.58 118.21 1fkk h GLU 31 Ca -0.44 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1fkk h GLU 31 Cb 1.21 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1fkk h GLU 31 CO 0.59 0.02 0.00 -0.40 -0.73 0.00 0.00 179.01 178.48 1fkk n ASP 32 N -4.38 3.25 0.00 1.04 5.75 -1.26 -4.86 116.55 116.09 1fkk n ASP 32 Ca 0.11 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 1fkk n ASP 32 Cb 0.63 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 1fkk n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fkk n GLY 33 N 0.81 1.86 3.51 6.12 0.00 0.32 -4.91 105.19 112.89 1fkk n GLY 33 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.47 1fkk n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1fkk n LYS 34 N 0.00 0.86 -2.30 1.61 4.81 -1.25 -4.49 118.16 117.39 1fkk n LYS 34 Ca 0.00 0.27 -0.39 0.00 -0.87 0.00 0.00 58.31 57.32 1fkk n LYS 34 Cb 0.00 -2.12 -0.03 0.00 0.02 0.00 0.00 35.03 32.91 1fkk n LYS 34 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1fkk s LYS 35 N 5.17 4.24 0.00 1.64 2.20 -1.26 0.81 119.74 132.53 1fkk s LYS 35 Ca 1.08 1.89 0.00 0.00 -0.36 0.00 0.00 55.97 58.58 1fkk s LYS 35 Cb -1.08 -2.85 0.00 0.00 -1.51 0.00 0.00 37.83 32.39 1fkk s LYS 35 CO 0.59 -0.18 0.00 1.97 -0.36 0.00 0.00 175.35 177.37 1fkk n PHE 36 N 0.44 0.00 -3.58 4.03 1.16 0.21 -4.86 117.46 114.85 1fkk n PHE 36 Ca 0.02 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.48 1fkk n PHE 36 Cb 0.45 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.27 1fkk n PHE 36 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1fkk s ASP 37 N -0.28 -0.45 -0.23 5.98 2.15 -1.15 -4.93 116.67 117.76 1fkk s ASP 37 Ca 0.00 0.57 -0.12 0.00 0.43 0.00 0.00 52.55 53.43 1fkk s ASP 37 Cb 0.00 0.48 0.07 0.00 -0.30 0.00 0.00 42.92 43.17 1fkk s ASP 37 CO 0.00 -0.36 0.55 -0.55 -0.17 0.00 0.00 175.17 174.64 1fkk s SER 38 N -0.87 -0.73 0.38 -0.34 0.15 -1.26 0.35 113.70 111.38 1fkk s SER 38 Ca -0.03 1.21 0.18 0.00 0.70 0.00 0.00 55.95 58.01 1fkk s SER 38 Cb -0.01 1.12 0.72 0.00 -1.71 0.00 0.00 66.02 66.14 1fkk s SER 38 CO 0.02 -0.22 1.76 0.77 1.20 0.00 0.00 173.24 176.78 1fkk h SER 39 N 7.11 0.00 0.11 5.45 4.64 -1.65 -3.29 113.55 125.93 1fkk h SER 39 Ca -0.33 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.00 1fkk h SER 39 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1fkk h SER 39 CO 0.22 0.37 -0.12 0.03 -0.87 0.00 0.00 176.83 176.46 1fkk h ARG 40 N 0.00 -0.26 -0.96 4.77 3.08 -1.85 -1.30 114.38 117.87 1fkk h ARG 40 Ca -0.00 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.16 1fkk h ARG 40 Cb 0.84 0.06 -0.12 0.00 0.08 0.00 0.00 29.97 30.82 1fkk h ARG 40 CO 0.05 -0.17 -0.54 -0.25 -1.07 0.00 0.00 179.97 177.99 1fkk n ASP 41 N -5.25 -0.96 0.00 7.04 9.92 -1.24 0.12 116.55 126.18 1fkk n ASP 41 Ca -0.07 1.70 0.10 0.00 -0.53 0.00 0.00 54.79 55.98 1fkk n ASP 41 Cb 0.17 -0.24 0.54 0.00 -0.64 0.00 0.00 41.12 40.95 1fkk n ASP 41 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1fkk n ARG 42 N -5.23 0.49 -1.81 -1.24 1.74 -0.96 -4.85 116.66 104.80 1fkk n ARG 42 Ca 0.03 0.04 -0.17 0.00 -0.77 0.00 0.00 57.85 56.98 1fkk n ARG 42 Cb 0.27 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.16 1fkk n ARG 42 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1fkk n ASN 43 N -1.10 -4.67 -4.09 0.55 5.03 0.32 -4.94 115.26 106.36 1fkk n ASN 43 Ca 0.13 0.30 -0.33 0.00 0.87 0.00 0.00 54.58 55.55 1fkk n ASN 43 Cb 0.10 -4.10 -0.15 0.00 -1.02 0.00 0.00 39.78 34.60 1fkk n ASN 43 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1fkk s LYS 44 N -4.00 2.22 0.62 3.52 -0.14 -0.95 -5.03 119.74 115.98 1fkk s LYS 44 Ca 0.00 -1.38 -0.18 0.00 -1.36 0.00 0.00 55.97 53.05 1fkk s LYS 44 Cb 0.00 -2.98 -0.06 0.00 -1.68 0.00 0.00 37.83 33.11 1fkk s LYS 44 CO 0.00 -0.61 0.74 -2.30 -0.76 0.00 0.00 175.35 172.42 1fkk n PRO 45 N 4.46 0.63 -4.09 -1.68 -0.02 -1.26 -4.73 135.00 128.31 1fkk n PRO 45 Ca -0.12 0.25 -0.27 0.00 -2.02 0.00 0.00 63.50 61.34 1fkk n PRO 45 Cb 0.42 -1.95 -0.06 0.00 -0.02 0.00 0.00 33.50 31.89 1fkk n PRO 45 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1fkk s PHE 46 N -1.66 3.12 -0.05 6.00 5.36 0.24 -4.90 117.98 126.09 1fkk s PHE 46 Ca 0.72 -0.02 -0.04 0.00 -0.96 0.00 0.00 56.93 56.63 1fkk s PHE 46 Cb -0.41 -1.52 0.02 0.00 -0.34 0.00 0.00 43.02 40.77 1fkk s PHE 46 CO 0.51 0.52 0.13 0.15 -1.46 0.00 0.00 175.22 175.07 1fkk s LYS 47 N -2.96 0.14 -0.14 10.12 1.02 -1.26 -0.60 119.74 126.06 1fkk s LYS 47 Ca 0.30 0.20 -0.09 0.00 0.02 0.00 0.00 55.97 56.41 1fkk s LYS 47 Cb -0.10 0.04 0.05 0.00 -0.52 0.00 0.00 37.83 37.30 1fkk s LYS 47 CO 0.23 -0.03 0.35 -0.59 -0.92 0.00 0.00 175.35 174.38 1fkk s PHE 48 N 0.19 -0.49 -0.09 3.18 -0.71 -1.06 -4.97 117.98 114.03 1fkk s PHE 48 Ca -0.01 1.09 -0.29 0.00 -1.04 0.00 0.00 56.93 56.67 1fkk s PHE 48 Cb -0.02 0.18 -0.06 0.00 -1.21 0.00 0.00 43.02 41.91 1fkk s PHE 48 CO -0.01 -0.29 1.93 0.08 -1.34 0.00 0.00 175.22 175.60 1fkk s VAL 49 N 1.16 3.21 0.27 -2.49 1.01 -1.26 -2.36 120.40 119.92 1fkk s VAL 49 Ca -0.08 0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 1fkk s VAL 49 Cb -0.08 -3.19 -0.13 0.00 0.00 0.00 0.00 36.38 32.98 1fkk s VAL 49 CO -0.09 -0.06 1.42 -0.11 0.00 0.00 0.00 175.10 176.25 1fkk n LEU 50 N 8.71 3.42 0.00 3.92 7.94 0.13 -1.91 117.00 139.20 1fkk n LEU 50 Ca 0.22 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.27 1fkk n LEU 50 Cb 0.43 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 42.91 1fkk n LEU 50 CO 0.66 -0.37 0.00 0.61 -1.11 0.00 0.00 177.39 177.18 1fkk n GLY 51 N 1.91 3.10 0.17 -3.96 0.00 -1.26 -0.08 105.19 105.07 1fkk n GLY 51 Ca 0.10 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1fkk n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fkk n LYS 52 N 0.00 0.55 -1.53 1.61 5.02 -0.80 -4.85 118.16 118.16 1fkk n LYS 52 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 1fkk n LYS 52 Cb 0.00 -1.10 -0.01 0.00 -0.02 0.00 0.00 35.03 33.90 1fkk n LYS 52 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1fkk n GLN 53 N -0.25 -1.58 -0.08 1.97 3.00 -1.26 -4.84 117.38 114.34 1fkk n GLN 53 Ca 0.00 0.24 0.09 0.00 -0.01 0.00 0.00 57.00 57.33 1fkk n GLN 53 Cb 0.05 -4.46 0.36 0.00 0.00 0.00 0.00 30.24 26.19 1fkk n GLN 53 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1fkk n GLU 54 N -1.68 1.64 -4.24 -1.09 0.28 -1.26 -4.84 120.64 109.44 1fkk n GLU 54 Ca -0.05 -0.96 -0.14 0.00 -0.16 0.00 0.00 57.16 55.86 1fkk n GLU 54 Cb 0.26 -1.36 -0.10 0.00 1.43 0.00 0.00 31.44 31.67 1fkk n GLU 54 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1fkk s VAL 55 N -1.79 0.86 0.54 3.84 -7.23 -1.26 -5.09 120.40 110.28 1fkk s VAL 55 Ca 0.30 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.26 1fkk s VAL 55 Cb 0.16 -2.00 -0.05 0.00 0.56 0.00 0.00 36.38 35.04 1fkk s VAL 55 CO 0.24 -0.60 1.26 0.27 -0.31 0.00 0.00 175.10 175.96 1fkk s ILE 56 N -3.53 2.54 0.35 -0.62 -4.36 -1.26 -4.63 121.20 109.68 1fkk s ILE 56 Ca 0.20 0.38 0.14 0.00 -0.26 0.00 0.00 60.65 61.11 1fkk s ILE 56 Cb 0.05 -3.18 0.34 0.00 1.25 0.00 0.00 42.46 40.92 1fkk s ILE 56 CO 0.02 -0.03 1.72 -0.09 0.24 0.00 0.00 174.94 176.80 1fkk h ARG 57 N 1.44 0.44 -0.67 0.37 2.43 -1.89 0.25 114.38 116.76 1fkk h ARG 57 Ca -0.50 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 58.65 1fkk h ARG 57 Cb 1.29 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.70 1fkk h ARG 57 CO 0.57 0.29 0.45 0.78 -1.51 0.00 0.00 179.97 180.55 1fkk h GLY 58 N 0.46 0.94 1.26 2.80 0.00 -1.11 -0.40 103.07 107.02 1fkk h GLY 58 Ca 0.67 -0.35 -0.17 0.00 0.00 0.00 0.00 47.33 47.48 1fkk h GLY 58 CO -0.47 0.35 -0.48 1.49 0.00 0.00 0.00 176.54 177.43 1fkk h TRP 59 N 0.91 0.98 -0.12 5.60 4.06 -0.82 0.26 115.95 126.83 1fkk h TRP 59 Ca 0.25 -0.32 0.01 0.00 2.06 0.00 0.00 58.89 60.88 1fkk h TRP 59 Cb -0.11 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 27.85 1fkk h TRP 59 CO 0.00 1.12 0.04 0.93 -3.56 0.00 0.00 178.44 176.97 1fkk h GLU 60 N 0.63 0.10 0.00 0.49 4.39 -0.60 -1.06 114.58 118.53 1fkk h GLU 60 Ca 0.03 -0.01 -0.20 0.00 0.34 0.00 0.00 59.36 59.53 1fkk h GLU 60 Cb 1.06 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.66 1fkk h GLU 60 CO 0.11 0.07 -0.93 0.93 -1.16 0.00 0.00 179.01 178.02 1fkk h GLU 61 N 0.10 0.02 0.12 2.33 5.08 -1.09 -3.03 114.58 118.11 1fkk h GLU 61 Ca 0.05 -0.02 -0.29 0.00 -1.00 0.00 0.00 59.36 58.10 1fkk h GLU 61 Cb 0.02 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1fkk h GLU 61 CO -0.05 0.93 -1.47 0.78 -1.00 0.00 0.00 179.01 178.20 1fkk h GLY 62 N 2.69 0.29 2.00 -3.84 0.00 -0.45 -3.37 103.07 100.38 1fkk h GLY 62 Ca -0.01 -0.73 -0.03 0.00 0.00 0.00 0.00 47.33 46.55 1fkk h GLY 62 CO 0.12 0.64 -0.15 -2.08 0.00 0.00 0.00 176.54 175.07 1fkk h VAL 63 N -0.27 1.04 0.00 4.60 2.07 -1.32 -0.12 116.25 122.26 1fkk h VAL 63 Ca -0.32 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1fkk h VAL 63 Cb 1.79 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1fkk h VAL 63 CO 0.06 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.80 1fkk h ALA 64 N 1.85 1.00 -0.75 1.67 0.00 -1.69 -2.13 119.26 119.20 1fkk h ALA 64 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 1fkk h ALA 64 Cb 0.28 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 17.87 1fkk h ALA 64 CO 0.02 0.00 0.44 1.04 0.00 0.00 0.00 179.25 180.75 1fkk n GLN 65 N -2.56 2.42 -4.53 0.00 6.02 -0.06 -4.39 117.38 114.28 1fkk n GLN 65 Ca -0.01 -2.47 -0.24 0.00 -0.01 0.00 0.00 57.00 54.27 1fkk n GLN 65 Cb 0.10 -1.99 -0.14 0.00 1.02 0.00 0.00 30.24 29.23 1fkk n GLN 65 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1fkk s MET 66 N -2.64 1.22 0.37 -1.09 -1.94 -0.80 -5.09 119.30 109.33 1fkk s MET 66 Ca 0.46 -0.88 -0.03 0.00 -1.71 0.00 0.00 55.69 53.53 1fkk s MET 66 Cb 0.38 -1.30 -0.04 0.00 2.01 0.00 0.00 34.83 35.88 1fkk s MET 66 CO 0.10 0.33 0.62 -1.54 -0.01 0.00 0.00 175.02 174.52 1fkk s SER 67 N -1.17 6.34 -0.00 3.03 1.04 -1.26 -4.09 113.70 117.58 1fkk s SER 67 Ca 0.05 0.68 -0.34 0.00 0.48 0.00 0.00 55.95 56.82 1fkk s SER 67 Cb -0.08 -2.13 -0.12 0.00 0.10 0.00 0.00 66.02 63.78 1fkk s SER 67 CO 0.02 -0.34 1.79 0.52 0.98 0.00 0.00 173.24 176.20 1fkk n VAL 68 N -1.64 0.40 0.00 5.02 0.31 -0.73 -1.63 118.33 120.06 1fkk n VAL 68 Ca -0.02 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1fkk n VAL 68 Cb 0.55 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 1fkk n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fkk n GLY 69 N 4.09 1.03 3.81 2.92 0.00 0.26 -0.56 105.19 116.74 1fkk n GLY 69 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 1fkk n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fkk s GLN 70 N -0.58 4.29 -0.13 1.61 0.74 -0.64 -4.49 119.66 120.46 1fkk s GLN 70 Ca 0.00 1.04 0.00 0.00 0.05 0.00 0.00 55.36 56.45 1fkk s GLN 70 Cb 0.00 -2.56 -0.01 0.00 1.10 0.00 0.00 33.01 31.53 1fkk s GLN 70 CO 0.00 0.19 -0.14 0.50 -0.55 0.00 0.00 175.29 175.29 1fkk s ARG 71 N -2.55 3.34 0.05 1.67 3.52 -0.75 -0.78 118.95 123.46 1fkk s ARG 71 Ca 0.53 -0.71 0.00 0.00 -0.13 0.00 0.00 55.73 55.42 1fkk s ARG 71 Cb -0.14 -2.59 -0.03 0.00 -1.56 0.00 0.00 34.95 30.63 1fkk s ARG 71 CO 0.19 0.20 -0.04 0.00 -0.81 0.00 0.00 175.30 174.84 1fkk s ALA 72 N 0.37 0.55 -0.34 6.12 0.00 -0.19 0.16 121.76 128.42 1fkk s ALA 72 Ca -0.12 -1.05 -0.11 0.00 0.00 0.00 0.00 51.96 50.68 1fkk s ALA 72 Cb -0.16 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.15 1fkk s ALA 72 CO 0.06 -0.25 0.20 0.21 0.00 0.00 0.00 175.76 175.98 1fkk s LYS 73 N -3.07 3.19 -0.29 0.00 2.20 0.24 -1.53 119.74 120.48 1fkk s LYS 73 Ca 0.01 -0.84 -0.13 0.00 -0.36 0.00 0.00 55.97 54.66 1fkk s LYS 73 Cb 0.01 -3.70 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 1fkk s LYS 73 CO -0.05 -0.54 0.27 -0.51 -0.36 0.00 0.00 175.35 174.16 1fkk s LEU 74 N 1.62 4.11 -0.20 5.43 1.02 -0.12 -0.83 118.68 129.72 1fkk s LEU 74 Ca 0.04 0.02 -0.07 0.00 0.02 0.00 0.00 54.13 54.14 1fkk s LEU 74 Cb -0.18 -2.24 -0.03 0.00 0.02 0.00 0.00 46.19 43.76 1fkk s LEU 74 CO 0.08 -0.14 0.05 -0.89 0.02 0.00 0.00 176.35 175.47 1fkk s THR 75 N 1.88 4.47 -0.08 5.49 2.01 -0.50 -0.22 115.64 128.69 1fkk s THR 75 Ca 0.10 -0.14 0.03 0.00 0.31 0.00 0.00 61.69 61.99 1fkk s THR 75 Cb -0.16 -3.03 0.01 0.00 0.01 0.00 0.00 72.50 69.32 1fkk s THR 75 CO 0.11 0.42 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.64 1fkk s ILE 76 N 0.80 1.65 0.38 1.82 1.01 -0.28 0.50 121.20 127.08 1fkk s ILE 76 Ca 0.03 -0.78 -0.04 0.00 0.00 0.00 0.00 60.65 59.85 1fkk s ILE 76 Cb -0.14 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.84 1fkk s ILE 76 CO 0.02 0.47 0.66 -0.94 0.00 0.00 0.00 174.94 175.15 1fkk s SER 77 N 0.46 6.36 0.24 3.58 1.04 -0.44 -0.50 113.70 124.44 1fkk s SER 77 Ca -0.17 0.77 -0.05 0.00 0.48 0.00 0.00 55.95 56.98 1fkk s SER 77 Cb -0.17 -2.17 0.41 0.00 0.10 0.00 0.00 66.02 64.18 1fkk s SER 77 CO 0.07 -0.37 1.75 -0.65 0.98 0.00 0.00 173.24 175.01 1fkk h PRO 78 N 0.92 0.49 -0.25 4.02 0.11 -1.90 0.61 132.00 136.00 1fkk h PRO 78 Ca -0.48 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 65.67 1fkk h PRO 78 Cb 1.20 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1fkk h PRO 78 CO 0.63 0.32 0.25 0.38 -0.21 0.00 0.00 178.00 179.38 1fkk h ASP 79 N 0.50 0.00 -0.60 -2.05 2.03 -1.90 0.57 116.42 114.96 1fkk h ASP 79 Ca 0.39 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.69 1fkk h ASP 79 Cb 0.52 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.02 1fkk h ASP 79 CO -0.35 0.00 0.00 -1.22 -1.03 0.00 0.00 179.24 176.64 1fkk n TYR 80 N -3.87 0.89 0.00 4.15 4.02 0.21 -4.76 117.16 117.80 1fkk n TYR 80 Ca 0.03 -0.43 0.00 0.00 -0.01 0.00 0.00 57.90 57.50 1fkk n TYR 80 Cb 0.39 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.68 1fkk n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1fkk n ALA 81 N 1.23 0.12 -1.06 -0.72 0.00 -0.28 -0.48 120.51 119.32 1fkk n ALA 81 Ca 0.21 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.73 1fkk n ALA 81 Cb 0.56 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.21 1fkk n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1fkk n TYR 82 N 0.00 0.50 -3.85 0.00 4.01 -0.99 -4.85 117.16 111.99 1fkk n TYR 82 Ca 0.00 -0.97 0.00 0.00 -0.16 0.00 0.00 57.90 56.77 1fkk n TYR 82 Cb 0.00 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 38.79 1fkk n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fkk n GLY 83 N -0.97 0.96 0.10 2.72 0.00 0.18 -2.01 105.19 106.17 1fkk n GLY 83 Ca 0.19 -0.66 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 1fkk n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fkk h ALA 84 N -0.77 0.49 -0.54 4.61 0.00 -1.94 -2.22 119.26 118.89 1fkk h ALA 84 Ca 0.00 -1.27 -0.06 0.00 0.00 0.00 0.00 54.91 53.58 1fkk h ALA 84 Cb 0.00 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1fkk h ALA 84 CO 0.00 1.34 0.09 1.79 0.00 0.00 0.00 179.25 182.48 1fkk h THR 85 N 0.04 1.23 0.00 0.00 1.35 -1.94 -3.34 112.91 110.25 1fkk h THR 85 Ca -0.27 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 1fkk h THR 85 Cb 2.00 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 1fkk h THR 85 CO 0.12 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 176.32 1fkk n GLY 86 N -0.77 -0.99 2.51 5.82 0.00 -0.85 -4.28 105.19 106.63 1fkk n GLY 86 Ca 0.04 -1.23 -0.28 0.00 0.00 0.00 0.00 46.02 44.55 1fkk n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1fkk s HIS 87 N 0.00 1.42 -0.06 1.61 5.04 0.32 -4.92 115.29 118.70 1fkk s HIS 87 Ca 0.00 -2.32 -0.32 0.00 -1.54 0.00 0.00 55.06 50.88 1fkk s HIS 87 Cb 0.00 -1.25 -0.15 0.00 0.04 0.00 0.00 32.58 31.22 1fkk s HIS 87 CO 0.00 -0.79 0.89 -2.30 -2.34 0.00 0.00 174.74 170.20 1fkk n PRO 88 N 3.06 0.00 0.00 2.88 -0.02 -1.22 -0.37 135.00 139.33 1fkk n PRO 88 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1fkk n PRO 88 Cb 0.43 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 1fkk n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fkk n GLY 89 N 1.45 3.15 0.81 -1.23 0.00 -1.26 -4.74 105.19 103.37 1fkk n GLY 89 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1fkk n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1fkk n ILE 90 N -1.90 0.00 -3.96 -0.61 5.41 0.18 -5.04 119.36 113.45 1fkk n ILE 90 Ca 0.00 0.08 -0.35 0.00 1.00 0.00 0.00 62.75 63.48 1fkk n ILE 90 Cb 0.00 -1.07 -0.13 0.00 -0.71 0.00 0.00 39.64 37.73 1fkk n ILE 90 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1fkk s ILE 91 N -0.98 3.90 1.07 1.39 1.01 0.50 -4.90 121.20 123.19 1fkk s ILE 91 Ca 0.00 -0.32 -0.16 0.00 0.00 0.00 0.00 60.65 60.16 1fkk s ILE 91 Cb 0.00 -2.78 0.23 0.00 0.01 0.00 0.00 42.46 39.92 1fkk s ILE 91 CO 0.00 0.40 1.16 -2.16 0.00 0.00 0.00 174.94 174.35 1fkk s PRO 92 N 1.27 -0.17 0.31 2.79 0.04 -1.26 0.12 135.00 138.09 1fkk s PRO 92 Ca 0.04 -0.02 -0.29 0.00 0.04 0.00 0.00 61.00 60.77 1fkk s PRO 92 Cb -0.15 -1.71 -0.10 0.00 0.04 0.00 0.00 34.50 32.58 1fkk s PRO 92 CO 0.01 -3.02 1.29 -2.14 0.04 0.00 0.00 177.00 173.18 1fkk s PRO 93 N -5.45 4.38 -1.31 0.56 0.02 -1.26 -3.90 135.00 128.05 1fkk s PRO 93 Ca 0.70 2.17 -0.04 0.00 0.02 0.00 0.00 61.00 63.85 1fkk s PRO 93 Cb -0.10 -3.09 0.01 0.00 0.02 0.00 0.00 34.50 31.34 1fkk s PRO 93 CO 0.55 -0.16 0.96 0.09 -0.33 0.00 0.00 177.00 178.10 1fkk n ASN 94 N 1.06 -3.12 -4.75 2.53 4.13 -0.83 -4.93 115.26 109.35 1fkk n ASN 94 Ca 0.01 -0.68 -0.37 0.00 1.68 0.00 0.00 54.58 55.22 1fkk n ASN 94 Cb 0.42 -4.66 -0.07 0.00 -1.54 0.00 0.00 39.78 33.93 1fkk n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1fkk s ALA 95 N -3.43 3.61 0.09 5.41 0.00 -1.25 -4.88 121.76 121.30 1fkk s ALA 95 Ca 0.22 -0.39 -0.23 0.00 0.00 0.00 0.00 51.96 51.56 1fkk s ALA 95 Cb -0.10 -2.40 -0.07 0.00 0.00 0.00 0.00 23.12 20.55 1fkk s ALA 95 CO 0.77 0.16 0.68 0.99 0.00 0.00 0.00 175.76 178.36 1fkk s THR 96 N 0.19 4.62 -0.08 0.00 2.01 -1.26 -3.41 115.64 117.72 1fkk s THR 96 Ca 0.19 1.48 0.05 0.00 0.31 0.00 0.00 61.69 63.72 1fkk s THR 96 Cb -0.14 -4.03 -0.01 0.00 0.01 0.00 0.00 72.50 68.34 1fkk s THR 96 CO 0.06 0.49 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.48 1fkk s LEU 97 N -0.81 2.07 -0.23 4.42 1.43 0.34 -2.71 118.68 123.18 1fkk s LEU 97 Ca 0.33 -0.52 -0.07 0.00 -1.03 0.00 0.00 54.13 52.84 1fkk s LEU 97 Cb -0.21 -1.37 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 1fkk s LEU 97 CO 0.22 0.20 0.05 -0.63 0.23 0.00 0.00 176.35 176.42 1fkk s ILE 98 N 0.07 4.25 -0.01 -0.59 1.01 -0.56 -1.13 121.20 124.25 1fkk s ILE 98 Ca -0.10 -0.20 0.05 0.00 0.00 0.00 0.00 60.65 60.40 1fkk s ILE 98 Cb -0.16 -2.97 -0.03 0.00 0.01 0.00 0.00 42.46 39.32 1fkk s ILE 98 CO 0.06 0.37 -0.14 -0.36 0.00 0.00 0.00 174.94 174.87 1fkk s PHE 99 N 1.34 2.68 -0.34 3.97 0.40 0.69 -1.04 117.98 125.68 1fkk s PHE 99 Ca 0.05 -0.18 -0.06 0.00 -0.60 0.00 0.00 56.93 56.14 1fkk s PHE 99 Cb -0.15 -1.57 0.04 0.00 0.51 0.00 0.00 43.02 41.85 1fkk s PHE 99 CO 0.03 0.23 0.10 0.34 0.70 0.00 0.00 175.22 176.62 1fkk s ASP 100 N -1.08 5.29 -0.05 1.36 -1.08 -0.48 -0.94 116.67 119.69 1fkk s ASP 100 Ca 0.13 -1.13 0.05 0.00 -0.52 0.00 0.00 52.55 51.08 1fkk s ASP 100 Cb -0.11 -1.86 -0.00 0.00 -1.46 0.00 0.00 42.92 39.49 1fkk s ASP 100 CO 0.03 -0.32 -0.19 -0.69 0.52 0.00 0.00 175.17 174.52 1fkk s VAL 101 N 1.40 1.59 -0.12 1.11 1.01 -0.58 -1.57 120.40 123.23 1fkk s VAL 101 Ca -0.02 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.19 1fkk s VAL 101 Cb -0.19 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 34.84 1fkk s VAL 101 CO 0.03 0.45 -0.20 -0.70 0.00 0.00 0.00 175.10 174.68 1fkk s GLU 102 N 0.05 2.71 -0.44 2.72 2.12 -0.50 -1.02 118.70 124.34 1fkk s GLU 102 Ca -0.05 -0.74 -0.25 0.00 0.36 0.00 0.00 54.97 54.28 1fkk s GLU 102 Cb -0.13 -2.21 0.02 0.00 0.26 0.00 0.00 34.13 32.08 1fkk s GLU 102 CO 0.03 -0.01 0.89 -1.17 -0.54 0.00 0.00 175.26 174.46 1fkk s LEU 103 N 0.83 4.05 -0.18 2.70 0.20 0.04 -2.09 118.68 124.22 1fkk s LEU 103 Ca -0.08 0.17 -0.23 0.00 0.69 0.00 0.00 54.13 54.68 1fkk s LEU 103 Cb -0.16 -3.16 -0.20 0.00 -0.43 0.00 0.00 46.19 42.25 1fkk s LEU 103 CO -0.01 -0.98 0.36 -0.07 -0.29 0.00 0.00 176.35 175.37 1fkk h LEU 104 N 10.36 0.00 -7.57 -0.68 3.38 -1.66 0.75 115.31 119.90 1fkk h LEU 104 Ca -0.24 -0.62 0.10 0.00 0.09 0.00 0.00 57.88 57.21 1fkk h LEU 104 Cb 1.08 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.74 1fkk h LEU 104 CO 1.00 1.28 0.36 -1.59 0.09 0.00 0.00 178.44 179.58 1fkk s LYS 105 N -2.29 1.35 -0.02 1.13 -2.85 -1.22 -4.41 119.74 111.42 1fkk s LYS 105 Ca -0.24 -0.69 0.01 0.00 -1.00 0.00 0.00 55.97 54.05 1fkk s LYS 105 Cb 0.03 0.50 -0.03 0.00 -2.06 0.00 0.00 37.83 36.26 1fkk s LYS 105 CO 0.59 -0.61 -0.01 -0.51 0.10 0.00 0.00 175.35 174.91 1fkk s LEU 106 N -2.84 3.45 0.00 2.77 2.01 -1.26 -0.63 118.68 122.18 1fkk s LEU 106 Ca 0.09 -0.01 0.00 0.00 0.01 0.00 0.00 54.13 54.22 1fkk s LEU 106 Cb -0.03 -1.94 0.00 0.00 0.01 0.00 0.00 46.19 44.23 1fkk s LEU 106 CO -0.00 0.30 0.21 -0.62 1.01 0.00 0.00 176.35 177.25