#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fkr s VAL 2 N 0.00 3.76 0.23 1.61 0.11 -1.26 -3.31 120.40 121.54 1fkr s VAL 2 Ca 0.00 -0.70 0.11 0.00 -2.93 0.00 0.00 61.98 58.46 1fkr s VAL 2 Cb 0.00 -2.63 -0.05 0.00 -1.53 0.00 0.00 36.38 32.17 1fkr s VAL 2 CO 0.00 0.41 -0.20 -1.58 -3.33 0.00 0.00 175.10 170.40 1fkr s GLN 3 N -1.38 1.55 -0.20 1.54 0.74 -0.85 -4.97 119.66 116.09 1fkr s GLN 3 Ca 0.17 -1.64 0.01 0.00 0.05 0.00 0.00 55.36 53.95 1fkr s GLN 3 Cb -0.11 -1.67 0.04 0.00 1.10 0.00 0.00 33.01 32.36 1fkr s GLN 3 CO 0.07 0.33 -0.13 0.08 -0.55 0.00 0.00 175.29 175.09 1fkr s VAL 4 N -2.26 1.82 -0.47 1.34 1.01 -1.26 -2.43 120.40 118.14 1fkr s VAL 4 Ca 0.25 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1fkr s VAL 4 Cb -0.05 -1.83 0.12 0.00 0.00 0.00 0.00 36.38 34.62 1fkr s VAL 4 CO 0.12 0.24 0.23 -1.61 0.00 0.00 0.00 175.10 174.08 1fkr s GLU 5 N 1.33 1.97 0.68 2.72 2.02 -0.79 -4.99 118.70 121.63 1fkr s GLU 5 Ca -0.01 -2.25 -0.14 0.00 0.02 0.00 0.00 54.97 52.59 1fkr s GLU 5 Cb -0.16 -3.43 0.01 0.00 0.10 0.00 0.00 34.13 30.65 1fkr s GLU 5 CO -0.09 -1.07 1.11 0.99 0.02 0.00 0.00 175.26 176.22 1fkr s THR 6 N 0.34 3.28 0.07 3.63 2.01 -1.26 -0.39 115.64 123.32 1fkr s THR 6 Ca 0.14 0.56 0.00 0.00 0.31 0.00 0.00 61.69 62.70 1fkr s THR 6 Cb -0.22 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.21 1fkr s THR 6 CO -0.04 -0.40 0.00 -0.38 -0.69 0.00 0.00 174.62 173.11 1fkr n ILE 7 N -2.60 0.59 -3.86 1.82 5.41 -0.82 -4.84 119.36 115.07 1fkr n ILE 7 Ca 0.10 0.20 -0.28 0.00 1.00 0.00 0.00 62.75 63.76 1fkr n ILE 7 Cb 0.52 -1.41 -0.12 0.00 -0.71 0.00 0.00 39.64 37.92 1fkr n ILE 7 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1fkr s SER 8 N -5.48 4.44 0.92 4.38 0.15 -1.05 -5.02 113.70 112.04 1fkr s SER 8 Ca 0.00 -3.63 -0.20 0.00 0.70 0.00 0.00 55.95 52.82 1fkr s SER 8 Cb 0.00 -1.52 -0.16 0.00 -1.71 0.00 0.00 66.02 62.63 1fkr s SER 8 CO 0.00 -0.12 -1.05 -2.65 1.20 0.00 0.00 173.24 170.62 1fkr n PRO 9 N 2.26 0.00 -2.65 5.44 -0.02 -1.26 -2.38 135.00 136.39 1fkr n PRO 9 Ca 0.18 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.58 1fkr n PRO 9 Cb 0.36 -0.92 -0.02 0.00 -0.02 0.00 0.00 33.50 32.90 1fkr n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fkr n GLY 10 N 3.22 4.01 0.41 -1.23 0.00 -1.26 -4.51 105.19 105.82 1fkr n GLY 10 Ca -0.02 -2.25 -0.08 0.00 0.00 0.00 0.00 46.02 43.67 1fkr n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fkr n ASP 11 N -1.11 -0.95 0.00 1.61 5.75 -1.26 -4.81 116.55 115.79 1fkr n ASP 11 Ca -0.05 1.75 0.00 0.00 -0.01 0.00 0.00 54.79 56.48 1fkr n ASP 11 Cb 0.16 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 1fkr n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fkr n GLY 12 N -1.30 1.41 0.11 6.12 0.00 -1.26 -4.96 105.19 105.30 1fkr n GLY 12 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1fkr n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fkr n ARG 13 N -1.48 0.00 -4.45 1.61 5.12 -1.26 -5.08 116.66 111.12 1fkr n ARG 13 Ca 0.00 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.58 1fkr n ARG 13 Cb 0.00 -0.74 -0.11 0.00 -1.16 0.00 0.00 32.46 30.45 1fkr n ARG 13 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1fkr s THR 14 N -1.58 4.00 0.38 0.55 2.01 -1.26 -5.08 115.64 114.66 1fkr s THR 14 Ca 0.00 -0.35 0.04 0.00 0.31 0.00 0.00 61.69 61.69 1fkr s THR 14 Cb 0.00 -2.69 -0.03 0.00 0.01 0.00 0.00 72.50 69.79 1fkr s THR 14 CO 0.00 0.56 0.14 -0.36 -0.69 0.00 0.00 174.62 174.27 1fkr s PHE 15 N -0.42 1.76 0.51 4.92 0.40 -1.26 -1.46 117.98 122.43 1fkr s PHE 15 Ca 0.07 -1.30 -0.20 0.00 -0.60 0.00 0.00 56.93 54.90 1fkr s PHE 15 Cb -0.12 -1.08 -0.07 0.00 0.51 0.00 0.00 43.02 42.26 1fkr s PHE 15 CO 0.02 -0.36 1.12 -2.14 0.70 0.00 0.00 175.22 174.57 1fkr s PRO 16 N -3.73 3.53 0.43 0.24 0.02 -1.26 -4.86 135.00 129.37 1fkr s PRO 16 Ca 0.28 1.60 0.04 0.00 0.02 0.00 0.00 61.00 62.95 1fkr s PRO 16 Cb 0.03 -2.11 -0.05 0.00 0.02 0.00 0.00 34.50 32.39 1fkr s PRO 16 CO 0.16 -0.70 0.02 0.15 -0.33 0.00 0.00 177.00 176.30 1fkr s LYS 17 N -3.14 2.00 -0.76 5.54 1.02 -1.26 -5.03 119.74 118.11 1fkr s LYS 17 Ca 0.70 -2.19 -0.26 0.00 0.02 0.00 0.00 55.97 54.24 1fkr s LYS 17 Cb -0.24 -1.43 0.02 0.00 -0.52 0.00 0.00 37.83 35.67 1fkr s LYS 17 CO 0.27 -0.20 1.44 0.50 -0.92 0.00 0.00 175.35 176.44 1fkr s ARG 18 N -3.79 3.11 0.00 1.68 3.52 -1.26 -2.33 118.95 119.88 1fkr s ARG 18 Ca 0.25 -0.20 0.00 0.00 -0.13 0.00 0.00 55.73 55.65 1fkr s ARG 18 Cb 0.07 -4.40 0.00 0.00 -1.56 0.00 0.00 34.95 29.05 1fkr s ARG 18 CO 0.12 -2.31 0.00 0.41 -0.81 0.00 0.00 175.30 172.71 1fkr n GLY 19 N 5.69 0.72 3.76 8.12 0.00 -1.26 -5.13 105.19 117.10 1fkr n GLY 19 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 1fkr n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fkr s GLN 20 N 0.00 2.23 -0.22 1.61 -1.52 -0.98 -5.07 119.66 115.70 1fkr s GLN 20 Ca 0.00 -1.91 0.01 0.00 -1.95 0.00 0.00 55.36 51.51 1fkr s GLN 20 Cb 0.00 -1.96 0.05 0.00 -0.22 0.00 0.00 33.01 30.88 1fkr s GLN 20 CO 0.00 -0.20 -0.09 0.99 -0.25 0.00 0.00 175.29 175.74 1fkr s THR 21 N -2.64 1.65 0.47 -0.19 2.01 -1.25 -3.69 115.64 111.99 1fkr s THR 21 Ca 0.37 -1.13 -0.22 0.00 0.31 0.00 0.00 61.69 61.02 1fkr s THR 21 Cb 0.03 -1.79 -0.08 0.00 0.01 0.00 0.00 72.50 70.67 1fkr s THR 21 CO 0.21 0.06 1.11 0.00 -0.69 0.00 0.00 174.62 175.30 1fkr s VAL 23 N -1.70 2.63 0.10 0.00 1.01 0.13 -0.25 120.40 122.32 1fkr s VAL 23 Ca 0.65 -1.19 0.07 0.00 0.00 0.00 0.00 61.98 61.51 1fkr s VAL 23 Cb -0.24 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 1fkr s VAL 23 CO 0.29 0.16 -0.19 0.68 0.00 0.00 0.00 175.10 176.03 1fkr s VAL 24 N 1.26 1.55 0.01 2.92 -7.23 0.28 0.78 120.40 119.97 1fkr s VAL 24 Ca -0.02 -1.49 0.03 0.00 -1.81 0.00 0.00 61.98 58.69 1fkr s VAL 24 Cb -0.17 -1.43 -0.01 0.00 0.56 0.00 0.00 36.38 35.32 1fkr s VAL 24 CO -0.05 -0.11 -0.09 -2.28 -0.31 0.00 0.00 175.10 172.25 1fkr s HIS 25 N -1.22 0.81 0.36 2.82 2.46 -0.93 -1.96 115.29 117.64 1fkr s HIS 25 Ca 0.04 -0.24 -0.14 0.00 0.47 0.00 0.00 55.06 55.19 1fkr s HIS 25 Cb -0.10 -0.50 0.06 0.00 -0.13 0.00 0.00 32.58 31.91 1fkr s HIS 25 CO 0.04 -0.01 0.76 2.48 -2.47 0.00 0.00 174.74 175.54 1fkr n TYR 26 N 2.44 -2.24 -3.70 3.88 4.11 -1.26 -0.81 117.16 119.58 1fkr n TYR 26 Ca -0.16 -1.73 -0.18 0.00 -0.00 0.00 0.00 57.90 55.83 1fkr n TYR 26 Cb 0.56 0.86 -0.17 0.00 -0.00 0.00 0.00 39.34 40.60 1fkr n TYR 26 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1fkr s THR 27 N -2.14 -0.12 0.03 -3.48 2.01 -1.16 -3.23 115.64 107.55 1fkr s THR 27 Ca 0.15 0.36 -0.00 0.00 0.31 0.00 0.00 61.69 62.51 1fkr s THR 27 Cb -0.05 -0.16 -0.04 0.00 0.01 0.00 0.00 72.50 72.26 1fkr s THR 27 CO 0.11 0.15 0.14 -0.83 -0.69 0.00 0.00 174.62 173.50 1fkr s GLY 28 N 1.88 2.11 0.23 4.40 0.00 0.24 -1.82 107.32 114.37 1fkr s GLY 28 Ca 0.01 -0.86 -0.08 0.00 0.00 0.00 0.00 44.72 43.79 1fkr s GLY 28 CO -0.04 -0.79 0.35 -0.29 0.00 0.00 0.00 173.10 172.34 1fkr s MET 29 N -2.12 1.44 0.10 2.90 1.75 -0.98 -3.57 119.30 118.83 1fkr s MET 29 Ca 0.28 -1.41 0.08 0.00 -1.25 0.00 0.00 55.69 53.39 1fkr s MET 29 Cb -0.12 0.40 -0.04 0.00 2.84 0.00 0.00 34.83 37.90 1fkr s MET 29 CO 0.20 -0.56 -0.15 -0.51 -0.65 0.00 0.00 175.02 173.35 1fkr s LEU 30 N -3.08 2.81 0.01 4.11 1.43 -0.82 -2.16 118.68 120.98 1fkr s LEU 30 Ca 0.29 -0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1fkr s LEU 30 Cb 0.02 -1.64 0.01 0.00 0.03 0.00 0.00 46.19 44.61 1fkr s LEU 30 CO 0.11 0.19 0.05 -1.84 0.23 0.00 0.00 176.35 175.09 1fkr n GLU 31 N 0.88 -0.00 -2.67 1.70 0.00 -1.23 -2.78 120.64 116.54 1fkr n GLU 31 Ca -0.15 0.05 -0.04 0.00 0.00 0.00 0.00 57.16 57.02 1fkr n GLU 31 Cb 0.52 -0.07 0.12 0.00 0.00 0.00 0.00 31.44 32.02 1fkr n GLU 31 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1fkr n ASP 32 N -4.05 -1.59 0.00 -1.84 5.75 -1.26 -5.05 116.55 108.51 1fkr n ASP 32 Ca 0.00 -2.28 0.00 0.00 -0.01 0.00 0.00 54.79 52.51 1fkr n ASP 32 Cb 0.01 0.79 0.00 0.00 -1.03 0.00 0.00 41.12 40.89 1fkr n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fkr n GLY 33 N -1.25 0.29 0.00 6.12 0.00 -1.12 -5.17 105.19 104.07 1fkr n GLY 33 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1fkr n GLY 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1fkr n LYS 34 N -0.85 0.00 -3.27 1.61 2.85 -1.26 -4.97 118.16 112.26 1fkr n LYS 34 Ca 0.00 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.88 1fkr n LYS 34 Cb 0.00 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.32 1fkr n LYS 34 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1fkr s LYS 35 N -0.11 4.29 -0.14 -1.58 1.02 -1.26 -1.95 119.74 120.01 1fkr s LYS 35 Ca 0.00 0.60 0.06 0.00 0.02 0.00 0.00 55.97 56.65 1fkr s LYS 35 Cb 0.00 -3.37 -0.12 0.00 -0.52 0.00 0.00 37.83 33.81 1fkr s LYS 35 CO 0.00 0.30 -0.04 1.97 -0.92 0.00 0.00 175.35 176.66 1fkr n PHE 36 N 3.06 0.00 -3.80 3.18 1.16 -1.23 -5.00 117.46 114.84 1fkr n PHE 36 Ca -0.07 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.38 1fkr n PHE 36 Cb 0.51 -0.59 -0.09 0.00 -1.61 0.00 0.00 39.48 37.70 1fkr n PHE 36 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1fkr s ASP 37 N -4.96 -0.11 0.00 5.98 1.11 -1.26 -5.05 116.67 112.38 1fkr s ASP 37 Ca -0.13 -0.03 0.00 0.00 0.18 0.00 0.00 52.55 52.57 1fkr s ASP 37 Cb 0.04 0.27 0.00 0.00 1.07 0.00 0.00 42.92 44.31 1fkr s ASP 37 CO 0.42 -0.43 0.00 -1.20 1.18 0.00 0.00 175.17 175.15 1fkr n SER 38 N 1.31 0.95 0.00 0.27 7.64 -1.26 0.82 113.62 123.34 1fkr n SER 38 Ca -0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.66 1fkr n SER 38 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1fkr n SER 38 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1fkr n SER 39 N 0.00 0.00 -0.21 6.43 3.41 -1.20 -4.73 113.62 117.32 1fkr n SER 39 Ca 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.80 1fkr n SER 39 Cb 0.00 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.27 1fkr n SER 39 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1fkr n ARG 40 N -0.83 -0.02 0.00 4.33 0.63 -1.26 -3.06 116.66 116.45 1fkr n ARG 40 Ca 0.00 0.65 0.00 0.00 -0.92 0.00 0.00 57.85 57.58 1fkr n ARG 40 Cb 0.00 -1.24 0.00 0.00 0.45 0.00 0.00 32.46 31.67 1fkr n ARG 40 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1fkr n ASP 41 N -3.83 0.00 0.00 6.15 2.03 -1.26 -3.90 116.55 115.73 1fkr n ASP 41 Ca 0.20 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.51 1fkr n ASP 41 Cb 0.74 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.14 1fkr n ASP 41 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1fkr n ARG 42 N -3.76 0.00 -3.03 -0.67 1.74 -1.17 -4.94 116.66 104.83 1fkr n ARG 42 Ca 0.00 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 1fkr n ARG 42 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 1fkr n ARG 42 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1fkr n ASN 43 N 0.00 5.38 0.00 0.55 5.03 -1.26 -5.02 115.26 119.94 1fkr n ASN 43 Ca 0.00 -3.56 0.00 0.00 0.87 0.00 0.00 54.58 51.89 1fkr n ASN 43 Cb 0.00 -0.89 0.00 0.00 -1.02 0.00 0.00 39.78 37.87 1fkr n ASN 43 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1fkr n LYS 44 N 0.48 0.00 0.00 3.52 4.76 -1.25 -5.01 118.16 120.66 1fkr n LYS 44 Ca 0.33 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.77 1fkr n LYS 44 Cb 0.35 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.54 1fkr n LYS 44 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1fkr n PRO 45 N 0.53 1.37 -4.91 1.97 -0.02 -1.26 -4.34 135.00 128.35 1fkr n PRO 45 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.15 1fkr n PRO 45 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 33.50 33.32 1fkr n PRO 45 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1fkr s PHE 46 N 0.00 2.70 -0.06 6.00 2.19 -0.83 -4.87 117.98 123.11 1fkr s PHE 46 Ca 0.00 -0.90 -0.00 0.00 0.33 0.00 0.00 56.93 56.36 1fkr s PHE 46 Cb 0.00 -1.80 0.03 0.00 -1.31 0.00 0.00 43.02 39.94 1fkr s PHE 46 CO 0.00 -0.35 -0.02 0.15 1.83 0.00 0.00 175.22 176.83 1fkr s LYS 47 N 0.44 0.71 0.31 10.12 3.01 -1.26 0.98 119.74 134.05 1fkr s LYS 47 Ca -0.13 0.02 0.05 0.00 -1.01 0.00 0.00 55.97 54.89 1fkr s LYS 47 Cb -0.17 -0.92 -0.02 0.00 -1.01 0.00 0.00 37.83 35.71 1fkr s LYS 47 CO 0.06 -0.21 0.18 1.97 0.51 0.00 0.00 175.35 177.85 1fkr n PHE 48 N 4.69 -0.28 -4.75 3.18 1.16 0.66 -4.91 117.46 117.21 1fkr n PHE 48 Ca -0.15 -2.26 -0.31 0.00 -1.87 0.00 0.00 57.45 52.87 1fkr n PHE 48 Cb 0.50 0.12 -0.13 0.00 -1.61 0.00 0.00 39.48 38.36 1fkr n PHE 48 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 1fkr s MET 49 N -3.21 2.08 -0.24 3.97 -2.45 -1.26 0.19 119.30 118.37 1fkr s MET 49 Ca 0.25 -0.97 -0.19 0.00 -1.25 0.00 0.00 55.69 53.53 1fkr s MET 49 Cb 0.01 -2.17 -0.02 0.00 1.25 0.00 0.00 34.83 33.90 1fkr s MET 49 CO 0.18 0.55 0.57 -1.17 1.05 0.00 0.00 175.02 176.20 1fkr s LEU 50 N -1.30 4.08 0.00 4.11 2.96 -1.24 -3.84 118.68 123.45 1fkr s LEU 50 Ca 0.14 0.65 0.00 0.00 -0.22 0.00 0.00 54.13 54.70 1fkr s LEU 50 Cb -0.10 -2.77 0.00 0.00 0.50 0.00 0.00 46.19 43.82 1fkr s LEU 50 CO 0.04 -0.30 0.00 0.61 -1.32 0.00 0.00 176.35 175.38 1fkr n GLY 51 N 4.17 0.78 2.01 7.98 0.00 -1.26 -4.30 105.19 114.56 1fkr n GLY 51 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 1fkr n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1fkr n LYS 52 N -1.52 3.07 -0.13 1.61 3.00 -1.25 -4.98 118.16 117.96 1fkr n LYS 52 Ca 0.00 -3.75 0.00 0.00 -0.00 0.00 0.00 58.31 54.56 1fkr n LYS 52 Cb 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 35.03 32.81 1fkr n LYS 52 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1fkr n GLN 53 N -0.84 -0.02 -0.03 1.64 7.27 -1.26 -4.65 117.38 119.50 1fkr n GLN 53 Ca 0.49 -0.01 -0.01 0.00 0.07 0.00 0.00 57.00 57.54 1fkr n GLN 53 Cb 0.88 0.02 -0.13 0.00 2.41 0.00 0.00 30.24 33.41 1fkr n GLN 53 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1fkr n GLU 54 N -0.03 0.66 -4.32 3.69 2.13 -1.26 -4.94 120.64 116.56 1fkr n GLU 54 Ca 0.00 0.03 -0.24 0.00 0.66 0.00 0.00 57.16 57.62 1fkr n GLU 54 Cb 0.00 -1.63 -0.12 0.00 0.27 0.00 0.00 31.44 29.96 1fkr n GLU 54 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1fkr s VAL 55 N -2.90 1.85 0.87 6.31 -7.23 -1.26 -5.08 120.40 112.95 1fkr s VAL 55 Ca -0.07 -1.76 -0.12 0.00 -1.81 0.00 0.00 61.98 58.23 1fkr s VAL 55 Cb 0.09 -1.75 0.07 0.00 0.56 0.00 0.00 36.38 35.35 1fkr s VAL 55 CO 0.84 -0.16 -0.03 2.30 -0.31 0.00 0.00 175.10 177.74 1fkr n ILE 56 N 0.67 0.00 -0.04 -0.62 -5.35 -1.26 -4.62 119.36 108.14 1fkr n ILE 56 Ca -0.16 -0.04 -0.04 0.00 -0.27 0.00 0.00 62.75 62.24 1fkr n ILE 56 Cb 0.55 -0.29 -0.03 0.00 -1.74 0.00 0.00 39.64 38.12 1fkr n ILE 56 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1fkr h ARG 57 N -2.24 -0.04 -0.91 6.28 2.43 -1.90 -2.80 114.38 115.20 1fkr h ARG 57 Ca -0.21 0.00 0.28 0.00 -0.81 0.00 0.00 59.98 59.24 1fkr h ARG 57 Cb 0.67 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.17 1fkr h ARG 57 CO 0.13 0.21 0.63 0.41 -1.51 0.00 0.00 179.97 179.85 1fkr n GLY 58 N 1.61 -0.49 0.00 2.80 0.00 -1.26 -0.12 105.19 107.73 1fkr n GLY 58 Ca -0.03 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1fkr n GLY 58 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1fkr n TRP 59 N -3.34 0.00 -0.23 1.61 7.02 -1.25 -2.23 117.44 119.02 1fkr n TRP 59 Ca 0.23 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.70 1fkr n TRP 59 Cb 0.97 -0.16 0.02 0.00 -2.42 0.00 0.00 31.31 29.72 1fkr n TRP 59 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1fkr n GLU 60 N -1.81 -0.15 -0.00 -0.99 2.13 0.12 0.17 120.64 120.11 1fkr n GLU 60 Ca 0.00 0.91 -0.12 0.00 0.66 0.00 0.00 57.16 58.61 1fkr n GLU 60 Cb 0.00 -1.35 -0.10 0.00 0.27 0.00 0.00 31.44 30.26 1fkr n GLU 60 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1fkr h GLU 61 N 0.00 -0.07 0.00 5.31 4.81 -0.75 -2.48 114.58 121.40 1fkr h GLU 61 Ca 0.20 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1fkr h GLU 61 Cb 0.35 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1fkr h GLU 61 CO -0.59 0.50 0.00 0.41 -0.73 0.00 0.00 179.01 178.60 1fkr n GLY 62 N 0.67 -2.84 0.18 1.92 0.00 0.27 -2.47 105.19 102.91 1fkr n GLY 62 Ca -0.08 0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.16 1fkr n GLY 62 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1fkr n VAL 63 N -0.46 -0.22 -0.15 1.61 0.31 0.46 0.22 118.33 120.10 1fkr n VAL 63 Ca 0.00 1.12 -0.03 0.00 -0.01 0.00 0.00 64.34 65.42 1fkr n VAL 63 Cb 0.00 -1.68 0.04 0.00 -0.91 0.00 0.00 33.84 31.30 1fkr n VAL 63 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fkr h ALA 64 N 1.04 0.39 0.00 3.52 0.00 -1.31 0.51 119.26 123.41 1fkr h ALA 64 Ca 0.34 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1fkr h ALA 64 Cb 0.77 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1fkr h ALA 64 CO -0.47 -0.42 0.00 0.94 0.00 0.00 0.00 179.25 179.30 1fkr n GLN 65 N -5.29 0.30 -4.18 0.00 7.27 0.60 -4.53 117.38 111.55 1fkr n GLN 65 Ca 0.05 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 56.86 1fkr n GLN 65 Cb 0.26 -1.34 -0.07 0.00 2.41 0.00 0.00 30.24 31.51 1fkr n GLN 65 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 1fkr s MET 66 N -2.00 2.55 0.14 3.69 1.75 0.18 -5.08 119.30 120.53 1fkr s MET 66 Ca 0.10 -1.10 0.09 0.00 -1.25 0.00 0.00 55.69 53.52 1fkr s MET 66 Cb 0.04 -2.41 -0.04 0.00 2.84 0.00 0.00 34.83 35.26 1fkr s MET 66 CO 0.07 0.44 -0.15 -1.54 -0.65 0.00 0.00 175.02 173.20 1fkr s SER 67 N -3.20 4.06 -0.84 1.11 1.04 -1.26 -4.48 113.70 110.12 1fkr s SER 67 Ca 0.29 -0.55 -0.29 0.00 0.48 0.00 0.00 55.95 55.89 1fkr s SER 67 Cb -0.09 -0.63 -0.18 0.00 0.10 0.00 0.00 66.02 65.22 1fkr s SER 67 CO 0.21 0.15 2.59 0.52 0.98 0.00 0.00 173.24 177.69 1fkr n VAL 68 N 0.54 -0.03 0.00 5.02 0.31 -0.53 0.41 118.33 124.06 1fkr n VAL 68 Ca -0.14 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1fkr n VAL 68 Cb 0.53 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.26 1fkr n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fkr n GLY 69 N 6.32 0.95 3.87 2.92 0.00 -1.01 -4.27 105.19 113.97 1fkr n GLY 69 Ca 0.57 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.28 1fkr n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fkr s GLN 70 N -0.47 3.26 0.02 1.61 0.74 0.17 -4.39 119.66 120.59 1fkr s GLN 70 Ca 0.00 -0.50 0.06 0.00 0.05 0.00 0.00 55.36 54.97 1fkr s GLN 70 Cb 0.00 -2.95 -0.02 0.00 1.10 0.00 0.00 33.01 31.14 1fkr s GLN 70 CO 0.00 0.61 -0.17 0.50 -0.55 0.00 0.00 175.29 175.68 1fkr s ARG 71 N -2.34 1.25 0.32 1.67 3.52 -1.00 -2.27 118.95 120.10 1fkr s ARG 71 Ca 0.31 -0.75 -0.08 0.00 -0.13 0.00 0.00 55.73 55.08 1fkr s ARG 71 Cb -0.13 -1.27 0.01 0.00 -1.56 0.00 0.00 34.95 32.00 1fkr s ARG 71 CO 0.24 0.33 0.54 0.00 -0.81 0.00 0.00 175.30 175.61 1fkr s ALA 72 N -0.65 0.14 -0.32 6.12 0.00 -0.00 -1.94 121.76 125.11 1fkr s ALA 72 Ca 0.05 -1.16 0.03 0.00 0.00 0.00 0.00 51.96 50.89 1fkr s ALA 72 Cb -0.08 1.03 0.09 0.00 0.00 0.00 0.00 23.12 24.16 1fkr s ALA 72 CO 0.01 -0.85 0.01 0.21 0.00 0.00 0.00 175.76 175.14 1fkr s LYS 73 N -3.19 1.71 0.12 0.00 2.20 0.48 -1.02 119.74 120.05 1fkr s LYS 73 Ca 0.25 -1.73 -0.04 0.00 -0.36 0.00 0.00 55.97 54.09 1fkr s LYS 73 Cb -0.02 -3.14 -0.05 0.00 -1.51 0.00 0.00 37.83 33.11 1fkr s LYS 73 CO 0.15 -0.84 0.35 -0.51 -0.36 0.00 0.00 175.35 174.13 1fkr s LEU 74 N 0.97 4.29 -0.21 5.43 1.43 -0.69 -1.89 118.68 128.00 1fkr s LEU 74 Ca 0.05 0.54 0.01 0.00 -1.03 0.00 0.00 54.13 53.71 1fkr s LEU 74 Cb -0.19 -3.23 0.03 0.00 0.03 0.00 0.00 46.19 42.83 1fkr s LEU 74 CO -0.07 0.08 -0.16 -0.89 0.23 0.00 0.00 176.35 175.54 1fkr s THR 75 N -1.62 2.18 -0.06 5.49 2.01 -1.02 -1.70 115.64 120.92 1fkr s THR 75 Ca 0.39 -1.15 -0.03 0.00 0.31 0.00 0.00 61.69 61.20 1fkr s THR 75 Cb -0.12 -2.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 1fkr s THR 75 CO 0.25 0.33 0.11 -0.63 -0.69 0.00 0.00 174.62 173.99 1fkr s ILE 76 N 1.24 5.07 0.14 1.82 1.01 0.42 -2.01 121.20 128.89 1fkr s ILE 76 Ca 0.00 -0.11 0.03 0.00 0.00 0.00 0.00 60.65 60.57 1fkr s ILE 76 Cb -0.15 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 1fkr s ILE 76 CO -0.10 0.49 0.24 -0.94 0.00 0.00 0.00 174.94 174.63 1fkr s SER 77 N -1.36 6.12 0.32 3.58 1.04 -1.21 -2.13 113.70 120.07 1fkr s SER 77 Ca 0.19 0.10 0.10 0.00 0.48 0.00 0.00 55.95 56.82 1fkr s SER 77 Cb -0.12 -1.79 0.95 0.00 0.10 0.00 0.00 66.02 65.16 1fkr s SER 77 CO 0.09 0.07 1.65 1.55 0.98 0.00 0.00 173.24 177.58 1fkr h PRO 78 N 2.32 0.25 -0.84 4.02 0.13 -1.92 -2.08 132.00 133.88 1fkr h PRO 78 Ca -0.48 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1fkr h PRO 78 Cb 1.19 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1fkr h PRO 78 CO 0.68 0.17 0.01 -0.40 -0.23 0.00 0.00 178.00 178.22 1fkr n ASP 79 N -5.14 2.87 -0.04 1.44 5.68 -1.26 -0.79 116.55 119.31 1fkr n ASP 79 Ca 0.28 -2.37 -0.05 0.00 -0.50 0.00 0.00 54.79 52.15 1fkr n ASP 79 Cb 0.87 -0.58 -0.04 0.00 -1.14 0.00 0.00 41.12 40.24 1fkr n ASP 79 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1fkr n TYR 80 N 0.24 0.00 0.00 2.11 4.02 -0.78 -4.97 117.16 117.77 1fkr n TYR 80 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 1fkr n TYR 80 Cb 0.63 -0.31 0.00 0.00 -0.02 0.00 0.00 39.34 39.64 1fkr n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1fkr n ALA 81 N -2.66 2.04 -2.00 -0.72 0.00 -1.25 -3.07 120.51 112.85 1fkr n ALA 81 Ca -0.14 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1fkr n ALA 81 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 1fkr n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1fkr n TYR 82 N -2.02 0.00 0.00 0.00 4.01 -1.24 -4.94 117.16 112.97 1fkr n TYR 82 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1fkr n TYR 82 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1fkr n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fkr n GLY 83 N 3.85 1.35 0.00 2.72 0.00 0.03 -4.46 105.19 108.67 1fkr n GLY 83 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1fkr n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fkr n ALA 84 N 0.46 1.74 -2.89 4.61 0.00 -1.26 0.26 120.51 123.43 1fkr n ALA 84 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1fkr n ALA 84 Cb 0.00 0.17 0.01 0.00 0.00 0.00 0.00 19.45 19.63 1fkr n ALA 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1fkr n THR 85 N -1.59 5.48 -3.10 0.00 -1.04 -1.26 -4.65 114.28 108.12 1fkr n THR 85 Ca 0.00 -5.89 0.00 0.00 -2.04 0.00 0.00 64.05 56.12 1fkr n THR 85 Cb 0.34 -1.97 0.00 0.00 -1.82 0.00 0.00 70.33 66.88 1fkr n THR 85 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1fkr n GLY 86 N 1.07 4.66 3.01 3.41 0.00 -1.26 -4.98 105.19 111.10 1fkr n GLY 86 Ca 0.31 -2.10 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 1fkr n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1fkr s HIS 87 N 0.61 3.63 0.42 1.61 5.04 -1.01 -4.99 115.29 120.59 1fkr s HIS 87 Ca 0.00 -3.13 -0.13 0.00 -1.54 0.00 0.00 55.06 50.26 1fkr s HIS 87 Cb 0.00 -2.98 -0.11 0.00 0.04 0.00 0.00 32.58 29.53 1fkr s HIS 87 CO 0.00 -0.67 -0.15 -2.30 -2.34 0.00 0.00 174.74 169.27 1fkr n PRO 88 N 2.42 0.00 0.00 2.88 -0.02 -0.68 -1.44 135.00 138.17 1fkr n PRO 88 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1fkr n PRO 88 Cb 0.36 -0.74 0.00 0.00 -0.02 0.00 0.00 33.50 33.09 1fkr n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fkr n GLY 89 N 1.95 3.10 1.01 -1.23 0.00 -1.26 -4.45 105.19 104.31 1fkr n GLY 89 Ca 0.05 -0.96 -0.00 0.00 0.00 0.00 0.00 46.02 45.11 1fkr n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1fkr n ILE 90 N 0.00 0.92 -3.91 -0.61 2.08 -1.07 -4.94 119.36 111.83 1fkr n ILE 90 Ca 0.00 0.29 -0.30 0.00 0.56 0.00 0.00 62.75 63.30 1fkr n ILE 90 Cb 0.00 -1.58 -0.13 0.00 -0.75 0.00 0.00 39.64 37.18 1fkr n ILE 90 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1fkr s ILE 91 N -2.02 2.83 0.84 1.39 -1.09 -0.52 -4.87 121.20 117.76 1fkr s ILE 91 Ca -0.01 -3.52 -0.11 0.00 -2.23 0.00 0.00 60.65 54.78 1fkr s ILE 91 Cb 0.00 -2.92 0.10 0.00 -1.58 0.00 0.00 42.46 38.06 1fkr s ILE 91 CO 0.01 -0.86 1.09 -2.84 -1.23 0.00 0.00 174.94 171.11 1fkr s PRO 92 N -0.57 1.71 0.98 2.79 0.02 -1.26 -1.68 135.00 136.99 1fkr s PRO 92 Ca 0.19 0.99 -0.14 0.00 0.02 0.00 0.00 61.00 62.06 1fkr s PRO 92 Cb -0.20 -1.85 0.13 0.00 0.02 0.00 0.00 34.50 32.60 1fkr s PRO 92 CO -0.04 -1.97 0.14 -0.35 -0.33 0.00 0.00 177.00 174.45 1fkr n PRO 93 N -3.72 -1.88 -1.45 5.54 -0.04 -1.26 -3.94 135.00 128.25 1fkr n PRO 93 Ca 0.08 -0.55 0.00 0.00 -0.04 0.00 0.00 63.50 62.99 1fkr n PRO 93 Cb 0.54 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 1fkr n PRO 93 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1fkr n HIS 94 N -4.24 0.00 -4.98 0.54 8.25 0.74 -4.88 115.22 110.65 1fkr n HIS 94 Ca 0.04 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.18 1fkr n HIS 94 Cb 0.38 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.35 1fkr n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fkr s ALA 95 N -1.56 2.53 -0.00 -1.41 0.00 -1.25 -5.00 121.76 115.07 1fkr s ALA 95 Ca 0.00 -1.00 -0.18 0.00 0.00 0.00 0.00 51.96 50.78 1fkr s ALA 95 Cb 0.00 -0.90 -0.06 0.00 0.00 0.00 0.00 23.12 22.16 1fkr s ALA 95 CO 0.00 0.50 0.51 0.99 0.00 0.00 0.00 175.76 177.77 1fkr s THR 96 N -0.53 4.94 0.09 0.00 2.01 -1.26 -4.37 115.64 116.51 1fkr s THR 96 Ca 0.07 1.07 0.04 0.00 0.31 0.00 0.00 61.69 63.18 1fkr s THR 96 Cb -0.11 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 1fkr s THR 96 CO 0.01 0.49 0.06 -0.76 -0.69 0.00 0.00 174.62 173.73 1fkr s LEU 97 N -0.56 3.70 -0.26 4.42 1.43 -0.90 -3.47 118.68 123.03 1fkr s LEU 97 Ca 0.27 -0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.30 1fkr s LEU 97 Cb -0.18 -2.39 0.08 0.00 0.03 0.00 0.00 46.19 43.73 1fkr s LEU 97 CO 0.15 0.17 0.06 -0.69 0.23 0.00 0.00 176.35 176.27 1fkr s VAL 98 N -1.38 0.83 0.43 -1.59 1.01 -0.92 -0.43 120.40 118.34 1fkr s VAL 98 Ca 0.28 -1.11 0.04 0.00 0.00 0.00 0.00 61.98 61.20 1fkr s VAL 98 Cb -0.12 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.79 1fkr s VAL 98 CO 0.21 -0.46 0.60 -0.36 0.00 0.00 0.00 175.10 175.09 1fkr s PHE 99 N 1.67 3.03 -0.51 5.22 0.40 -0.69 -2.31 117.98 124.79 1fkr s PHE 99 Ca 0.05 -0.10 0.03 0.00 -0.60 0.00 0.00 56.93 56.31 1fkr s PHE 99 Cb -0.17 -2.31 0.15 0.00 0.51 0.00 0.00 43.02 41.19 1fkr s PHE 99 CO -0.18 -0.36 0.32 -0.51 0.70 0.00 0.00 175.22 175.19 1fkr s ASP 100 N -4.27 3.70 0.08 1.36 1.01 -0.76 -1.71 116.67 116.08 1fkr s ASP 100 Ca 0.50 -3.06 -0.02 0.00 0.71 0.00 0.00 52.55 50.68 1fkr s ASP 100 Cb -0.10 -1.18 -0.04 0.00 1.01 0.00 0.00 42.92 42.61 1fkr s ASP 100 CO 0.35 -0.20 0.26 -0.69 0.21 0.00 0.00 175.17 175.10 1fkr s VAL 101 N -0.24 5.32 -0.22 -1.27 1.01 -0.18 -2.98 120.40 121.84 1fkr s VAL 101 Ca 0.22 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1fkr s VAL 101 Cb -0.15 -3.62 0.05 0.00 0.00 0.00 0.00 36.38 32.66 1fkr s VAL 101 CO -0.07 0.14 -0.05 -0.70 0.00 0.00 0.00 175.10 174.41 1fkr s GLU 102 N -2.47 1.56 -0.38 2.72 2.12 0.01 -0.82 118.70 121.43 1fkr s GLU 102 Ca 0.36 -0.84 -0.29 0.00 0.36 0.00 0.00 54.97 54.55 1fkr s GLU 102 Cb -0.13 -2.43 0.02 0.00 0.26 0.00 0.00 34.13 31.85 1fkr s GLU 102 CO 0.26 -0.55 1.13 -1.17 -0.54 0.00 0.00 175.26 174.38 1fkr s LEU 103 N 1.48 3.80 -0.06 2.70 2.96 -0.96 -2.18 118.68 126.42 1fkr s LEU 103 Ca -0.04 0.84 -0.15 0.00 -0.22 0.00 0.00 54.13 54.56 1fkr s LEU 103 Cb -0.18 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 42.87 1fkr s LEU 103 CO -0.07 -1.06 0.59 -0.07 -1.32 0.00 0.00 176.35 174.42 1fkr h LEU 104 N 10.65 -0.26 0.00 -0.68 3.38 0.05 -2.69 115.31 125.75 1fkr h LEU 104 Ca -0.22 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 57.67 1fkr h LEU 104 Cb 1.06 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1fkr h LEU 104 CO 1.07 0.25 0.19 1.17 0.09 0.00 0.00 178.44 181.21 1fkr n LYS 105 N -4.98 0.06 -4.38 1.13 4.81 -1.07 -4.14 118.16 109.59 1fkr n LYS 105 Ca -0.06 -0.21 -0.26 0.00 -0.87 0.00 0.00 58.31 56.91 1fkr n LYS 105 Cb 0.20 0.32 -0.11 0.00 0.02 0.00 0.00 35.03 35.47 1fkr n LYS 105 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1fkr s LEU 106 N 0.00 2.66 0.00 3.14 1.43 -1.26 0.21 118.68 124.86 1fkr s LEU 106 Ca 0.07 -0.79 0.02 0.00 -1.03 0.00 0.00 54.13 52.40 1fkr s LEU 106 Cb -0.00 -1.34 0.01 0.00 0.03 0.00 0.00 46.19 44.89 1fkr s LEU 106 CO 0.00 0.10 0.55 -0.62 0.23 0.00 0.00 176.35 176.61