#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 2.76 0.17 1.61 0.11 -1.26 -3.26 120.40 120.53 1fkr s VAL 2 Ca 0.00 -1.55 0.09 0.00 -2.93 0.00 0.00 61.98 57.59 1fkr s VAL 2 Cb 0.00 -2.26 -0.04 0.00 -1.53 0.00 0.00 36.38 32.54 1fkr s VAL 2 CO 0.00 0.09 -0.19 -1.58 -3.33 0.00 0.00 175.10 170.09 1fkr s GLN 3 N -2.16 1.32 -0.21 1.54 0.74 -0.71 -4.97 119.66 115.20 1fkr s GLN 3 Ca 0.18 -1.43 0.01 0.00 0.05 0.00 0.00 55.36 54.17 1fkr s GLN 3 Cb -0.10 -1.43 0.05 0.00 1.10 0.00 0.00 33.01 32.63 1fkr s GLN 3 CO 0.10 0.29 -0.08 0.08 -0.55 0.00 0.00 175.29 175.13 1fkr s VAL 4 N -1.96 1.60 -0.59 1.34 1.01 -1.26 -2.41 120.40 118.12 1fkr s VAL 4 Ca 0.17 -1.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 1fkr s VAL 4 Cb -0.06 -1.75 0.15 0.00 0.00 0.00 0.00 36.38 34.72 1fkr s VAL 4 CO 0.07 0.06 0.38 -0.70 0.00 0.00 0.00 175.10 174.91 1fkr s GLU 5 N 1.39 2.39 0.65 2.72 2.12 -0.69 -5.00 118.70 122.30 1fkr s GLU 5 Ca -0.03 -2.51 -0.15 0.00 0.36 0.00 0.00 54.97 52.64 1fkr s GLU 5 Cb -0.17 -3.62 -0.00 0.00 0.26 0.00 0.00 34.13 30.59 1fkr s GLU 5 CO -0.07 -1.15 1.11 0.99 -0.54 0.00 0.00 175.26 175.60 1fkr s THR 6 N -0.05 3.24 0.03 -1.70 2.01 -1.26 -1.26 115.64 116.65 1fkr s THR 6 Ca 0.16 0.58 0.00 0.00 0.31 0.00 0.00 61.69 62.75 1fkr s THR 6 Cb -0.22 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.18 1fkr s THR 6 CO -0.03 -0.35 0.00 -0.38 -0.69 0.00 0.00 174.62 173.17 1fkr n ILE 7 N -2.37 0.20 -3.85 1.82 5.41 -0.84 -4.88 119.36 114.85 1fkr n ILE 7 Ca 0.10 0.07 -0.28 0.00 1.00 0.00 0.00 62.75 63.64 1fkr n ILE 7 Cb 0.52 -1.34 -0.12 0.00 -0.71 0.00 0.00 39.64 37.99 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 -5.16 4.48 0.85 4.38 0.15 -1.06 -5.02 113.70 112.30 1fkr s SER 8 Ca 0.00 -3.74 -0.21 0.00 0.70 0.00 0.00 55.95 52.70 1fkr s SER 8 Cb 0.00 -1.52 -0.16 0.00 -1.71 0.00 0.00 66.02 62.64 1fkr s SER 8 CO 0.00 -0.10 -1.12 -2.65 1.20 0.00 0.00 173.24 170.57 1fkr n PRO 9 N 2.11 0.00 -2.49 5.44 -0.02 -1.26 -2.25 135.00 136.52 1fkr n PRO 9 Ca 0.20 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.60 1fkr n PRO 9 Cb 0.36 -0.85 -0.01 0.00 -0.02 0.00 0.00 33.50 32.98 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 2.97 3.59 0.42 -1.23 0.00 -1.26 -4.37 105.19 105.31 1fkr n GLY 10 Ca -0.02 -2.23 -0.11 0.00 0.00 0.00 0.00 46.02 43.66 1fkr n GLY 10 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1fkr h ASP 11 N 0.27 -1.73 0.00 1.61 2.03 -1.86 -3.46 116.42 113.29 1fkr h ASP 11 Ca -0.11 0.26 0.00 0.00 -0.73 0.00 0.00 57.03 56.45 1fkr h ASP 11 Cb 0.35 0.75 0.00 0.00 -0.83 0.00 0.00 39.33 39.60 1fkr h ASP 11 CO 0.18 -0.35 0.00 0.61 -1.03 0.00 0.00 179.24 178.64 1fkr n GLY 12 N -1.38 1.65 0.00 7.15 0.00 -1.26 -4.98 105.19 106.36 1fkr n GLY 12 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.97 0.54 -4.65 1.61 5.12 -1.26 -5.07 116.66 111.98 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 -0.78 -0.12 0.00 -1.16 0.00 0.00 32.46 30.40 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 -1.56 3.59 0.32 0.55 2.01 -1.26 -5.08 115.64 114.22 1fkr s THR 14 Ca 0.00 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.52 1fkr s THR 14 Cb 0.00 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 1fkr s THR 14 CO 0.00 0.58 0.13 -0.36 -0.69 0.00 0.00 174.62 174.28 1fkr s PHE 15 N -0.61 1.69 0.27 4.92 0.40 -1.26 -1.48 117.98 121.91 1fkr s PHE 15 Ca 0.09 -1.25 -0.30 0.00 -0.60 0.00 0.00 56.93 54.86 1fkr s PHE 15 Cb -0.12 -1.00 -0.11 0.00 0.51 0.00 0.00 43.02 42.30 1fkr s PHE 15 CO 0.02 -0.36 1.57 -2.14 0.70 0.00 0.00 175.22 175.01 1fkr s PRO 16 N -3.84 4.15 0.42 0.24 0.02 -1.26 -4.87 135.00 129.85 1fkr s PRO 16 Ca 0.34 2.52 0.07 0.00 0.02 0.00 0.00 61.00 63.95 1fkr s PRO 16 Cb 0.05 -3.05 -0.06 0.00 0.02 0.00 0.00 34.50 31.47 1fkr s PRO 16 CO 0.16 -0.60 0.14 0.15 -0.33 0.00 0.00 177.00 176.52 1fkr s LYS 17 N -0.30 2.17 -0.75 5.54 1.02 -1.26 -4.98 119.74 121.17 1fkr s LYS 17 Ca 0.64 -1.91 -0.26 0.00 0.02 0.00 0.00 55.97 54.45 1fkr s LYS 17 Cb -0.47 -1.90 -0.00 0.00 -0.52 0.00 0.00 37.83 34.94 1fkr s LYS 17 CO 0.45 -0.11 1.68 1.03 -0.92 0.00 0.00 175.35 177.48 1fkr s ARG 18 N -3.87 2.87 0.00 1.68 0.52 -1.26 -1.99 118.95 116.91 1fkr s ARG 18 Ca 0.39 0.02 0.00 0.00 -0.52 0.00 0.00 55.73 55.62 1fkr s ARG 18 Cb 0.05 -4.57 0.00 0.00 0.52 0.00 0.00 34.95 30.95 1fkr s ARG 18 CO 0.21 -2.64 0.00 0.41 0.02 0.00 0.00 175.30 173.30 1fkr n GLY 19 N 5.97 1.66 3.70 -3.53 0.00 -1.26 -5.14 105.19 106.59 1fkr n GLY 19 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 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 2.14 -0.23 1.61 -1.52 -0.84 -5.05 119.66 115.77 1fkr s GLN 20 Ca 0.00 -1.93 0.01 0.00 -1.95 0.00 0.00 55.36 51.49 1fkr s GLN 20 Cb 0.00 -1.87 0.06 0.00 -0.22 0.00 0.00 33.01 30.98 1fkr s GLN 20 CO 0.00 -0.10 -0.06 0.99 -0.25 0.00 0.00 175.29 175.87 1fkr s THR 21 N -2.64 1.59 0.53 -0.19 2.01 -1.26 -3.73 115.64 111.95 1fkr s THR 21 Ca 0.39 -1.24 -0.20 0.00 0.31 0.00 0.00 61.69 60.95 1fkr s THR 21 Cb 0.06 -1.83 -0.06 0.00 0.01 0.00 0.00 72.50 70.68 1fkr s THR 21 CO 0.21 -0.08 1.14 0.00 -0.69 0.00 0.00 174.62 175.20 1fkr s VAL 23 N -1.73 1.74 0.14 0.00 1.01 0.66 -1.88 120.40 120.34 1fkr s VAL 23 Ca 0.71 -2.15 0.10 0.00 0.00 0.00 0.00 61.98 60.64 1fkr s VAL 23 Cb -0.25 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1fkr s VAL 23 CO 0.28 -0.68 -0.25 0.68 0.00 0.00 0.00 175.10 175.13 1fkr s VAL 24 N 0.96 2.17 -0.14 2.92 -7.23 -0.66 -0.32 120.40 118.08 1fkr s VAL 24 Ca 0.12 -1.80 -0.01 0.00 -1.81 0.00 0.00 61.98 58.49 1fkr s VAL 24 Cb -0.20 -1.95 0.04 0.00 0.56 0.00 0.00 36.38 34.83 1fkr s VAL 24 CO -0.12 -0.01 -0.05 -2.28 -0.31 0.00 0.00 175.10 172.34 1fkr s HIS 25 N -1.27 1.49 0.39 2.82 2.46 -1.05 -1.65 115.29 118.48 1fkr s HIS 25 Ca 0.14 -0.89 0.05 0.00 0.47 0.00 0.00 55.06 54.84 1fkr s HIS 25 Cb -0.09 -1.22 -0.02 0.00 -0.13 0.00 0.00 32.58 31.11 1fkr s HIS 25 CO 0.07 -0.56 0.20 1.52 -2.47 0.00 0.00 174.74 173.49 1fkr s TYR 26 N 1.70 1.77 -0.05 3.88 1.13 -1.26 -1.96 117.35 122.56 1fkr s TYR 26 Ca 0.02 -1.46 -0.02 0.00 -1.41 0.00 0.00 57.07 54.20 1fkr s TYR 26 Cb -0.14 -0.98 0.04 0.00 -1.10 0.00 0.00 41.96 39.77 1fkr s TYR 26 CO -0.08 -0.55 0.10 0.99 -2.51 0.00 0.00 175.55 173.51 1fkr s THR 27 N -3.28 -0.11 -0.18 -3.49 2.01 -1.12 -2.92 115.64 106.54 1fkr s THR 27 Ca 0.29 0.27 -0.08 0.00 0.31 0.00 0.00 61.69 62.49 1fkr s THR 27 Cb 0.02 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 72.29 1fkr s THR 27 CO 0.20 0.11 0.07 -0.83 -0.69 0.00 0.00 174.62 173.48 1fkr s GLY 28 N 1.56 1.93 0.32 4.40 0.00 0.12 -2.54 107.32 113.11 1fkr s GLY 28 Ca -0.04 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 43.98 1fkr s GLY 28 CO -0.05 0.07 0.07 -0.29 0.00 0.00 0.00 173.10 172.91 1fkr s MET 29 N 0.36 1.62 0.46 2.90 1.75 -0.48 -3.32 119.30 122.59 1fkr s MET 29 Ca 0.04 -1.90 0.05 0.00 -1.25 0.00 0.00 55.69 52.63 1fkr s MET 29 Cb -0.12 -0.72 -0.03 0.00 2.84 0.00 0.00 34.83 36.80 1fkr s MET 29 CO -0.00 -0.23 0.14 -0.51 -0.65 0.00 0.00 175.02 173.76 1fkr s LEU 30 N -3.46 2.79 0.06 4.11 1.43 -0.91 -1.97 118.68 120.75 1fkr s LEU 30 Ca 0.36 -1.31 -0.12 0.00 -1.03 0.00 0.00 54.13 52.03 1fkr s LEU 30 Cb 0.08 -1.11 -0.03 0.00 0.03 0.00 0.00 46.19 45.16 1fkr s LEU 30 CO 0.15 -0.69 0.67 -0.62 0.23 0.00 0.00 176.35 176.09 1fkr n GLU 31 N -1.28 -0.17 -2.64 1.70 -0.58 -1.26 -3.85 120.64 112.56 1fkr n GLU 31 Ca -0.07 0.66 -0.03 0.00 -0.42 0.00 0.00 57.16 57.31 1fkr n GLU 31 Cb 0.66 -0.98 0.12 0.00 -0.57 0.00 0.00 31.44 30.67 1fkr n GLU 31 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1fkr n ASP 32 N -4.21 -1.48 0.00 1.62 5.75 -1.26 -5.05 116.55 111.92 1fkr n ASP 32 Ca 0.01 -2.21 0.00 0.00 -0.01 0.00 0.00 54.79 52.58 1fkr n ASP 32 Cb 0.10 0.71 0.00 0.00 -1.03 0.00 0.00 41.12 40.90 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 -1.40 0.23 0.00 6.12 0.00 -1.25 -5.17 105.19 103.71 1fkr n GLY 33 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.13 0.00 -3.35 1.61 0.00 -1.26 -4.97 118.16 109.06 1fkr n LYS 34 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.93 1fkr n LYS 34 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 34.97 1fkr n LYS 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1fkr s LYS 35 N -1.31 4.11 0.00 -1.58 -2.85 -1.26 -2.13 119.74 114.71 1fkr s LYS 35 Ca 0.00 0.61 0.00 0.00 -1.00 0.00 0.00 55.97 55.58 1fkr s LYS 35 Cb 0.00 -3.24 0.00 0.00 -2.06 0.00 0.00 37.83 32.53 1fkr s LYS 35 CO 0.00 0.63 0.00 1.97 0.10 0.00 0.00 175.35 178.05 1fkr n PHE 36 N 1.87 0.00 -3.72 1.78 -1.74 -1.21 -4.96 117.46 109.48 1fkr n PHE 36 Ca -0.11 0.00 -0.29 0.00 -0.56 0.00 0.00 57.45 56.49 1fkr n PHE 36 Cb 0.51 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 41.39 1fkr n PHE 36 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1fkr s ASP 37 N -3.45 3.60 0.31 5.98 1.11 -1.25 -5.02 116.67 117.94 1fkr s ASP 37 Ca 0.00 -2.90 0.08 0.00 0.18 0.00 0.00 52.55 49.91 1fkr s ASP 37 Cb 0.00 -1.09 -0.03 0.00 1.07 0.00 0.00 42.92 42.86 1fkr s ASP 37 CO 0.00 -0.22 0.23 -0.44 1.18 0.00 0.00 175.17 175.92 1fkr s SER 38 N -0.01 5.24 -0.44 0.27 0.01 -1.26 0.15 113.70 117.65 1fkr s SER 38 Ca 0.21 -0.47 0.07 0.00 1.31 0.00 0.00 55.95 57.06 1fkr s SER 38 Cb -0.18 -1.05 0.41 0.00 0.21 0.00 0.00 66.02 65.41 1fkr s SER 38 CO -0.05 -0.25 1.06 -1.54 0.41 0.00 0.00 173.24 172.87 1fkr n SER 39 N -1.27 4.14 -1.73 2.44 3.41 -1.15 -4.89 113.62 114.57 1fkr n SER 39 Ca -0.04 -3.56 0.00 0.00 -0.26 0.00 0.00 58.87 55.01 1fkr n SER 39 Cb 0.59 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 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 -0.37 0.00 0.00 4.33 3.00 -1.26 -4.53 116.66 117.82 1fkr n ARG 40 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.19 1fkr n ARG 40 Cb 0.64 -0.43 0.00 0.00 0.00 0.00 0.00 32.46 32.67 1fkr n ARG 40 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1fkr n ASP 41 N 1.67 0.00 0.00 6.15 -0.08 -1.26 -1.60 116.55 121.43 1fkr n ASP 41 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1fkr n ASP 41 Cb 0.15 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.61 1fkr n ASP 41 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1fkr n ARG 42 N -3.80 0.00 -2.65 -0.67 0.63 -1.26 0.21 116.66 109.12 1fkr n ARG 42 Ca 0.00 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.58 1fkr n ARG 42 Cb 0.00 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 32.91 1fkr n ARG 42 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1fkr n ASN 43 N -3.46 6.16 -1.91 6.15 3.02 -0.63 -5.00 115.26 119.60 1fkr n ASN 43 Ca 0.00 -3.71 0.00 0.00 -0.03 0.00 0.00 54.58 50.84 1fkr n ASN 43 Cb 0.00 -0.89 0.00 0.00 -0.61 0.00 0.00 39.78 38.28 1fkr n ASN 43 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1fkr n LYS 44 N -0.21 -4.56 0.00 3.52 4.81 0.57 -4.96 118.16 117.32 1fkr n LYS 44 Ca 0.42 3.26 0.00 0.00 -0.87 0.00 0.00 58.31 61.12 1fkr n LYS 44 Cb 0.34 -3.67 0.00 0.00 0.02 0.00 0.00 35.03 31.72 1fkr n LYS 44 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1fkr n PRO 45 N 0.95 2.99 -4.44 1.64 -0.02 -1.24 -4.70 135.00 130.17 1fkr n PRO 45 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.16 1fkr n PRO 45 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.38 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 2.88 -0.06 6.00 5.36 -0.66 -5.01 117.98 126.49 1fkr s PHE 46 Ca 0.00 -0.05 -0.01 0.00 -0.96 0.00 0.00 56.93 55.91 1fkr s PHE 46 Cb 0.00 -1.59 0.03 0.00 -0.34 0.00 0.00 43.02 41.11 1fkr s PHE 46 CO 0.00 0.38 0.01 0.15 -1.46 0.00 0.00 175.22 174.30 1fkr s LYS 47 N -1.48 0.39 0.31 10.12 1.02 -1.26 -1.66 119.74 127.18 1fkr s LYS 47 Ca 0.17 0.16 0.05 0.00 0.02 0.00 0.00 55.97 56.38 1fkr s LYS 47 Cb -0.11 -0.77 -0.03 0.00 -0.52 0.00 0.00 37.83 36.40 1fkr s LYS 47 CO 0.08 -0.27 0.23 -0.59 -0.92 0.00 0.00 175.35 173.88 1fkr s PHE 48 N 1.82 1.64 0.22 3.18 -0.71 -0.79 -4.95 117.98 118.40 1fkr s PHE 48 Ca 0.02 -1.56 0.11 0.00 -1.04 0.00 0.00 56.93 54.45 1fkr s PHE 48 Cb -0.12 -0.73 -0.05 0.00 -1.21 0.00 0.00 43.02 40.91 1fkr s PHE 48 CO -0.04 -0.76 -0.21 1.41 -1.34 0.00 0.00 175.22 174.28 1fkr s MET 49 N -3.63 1.52 -0.25 1.99 -2.45 -1.26 0.11 119.30 115.34 1fkr s MET 49 Ca 0.39 -1.60 -0.19 0.00 -1.25 0.00 0.00 55.69 53.04 1fkr s MET 49 Cb 0.03 -1.68 -0.02 0.00 1.25 0.00 0.00 34.83 34.41 1fkr s MET 49 CO 0.23 0.34 0.57 -1.17 1.05 0.00 0.00 175.02 176.04 1fkr s LEU 50 N -3.03 4.06 0.00 4.11 2.96 -1.24 -4.16 118.68 121.38 1fkr s LEU 50 Ca 0.23 0.63 0.00 0.00 -0.22 0.00 0.00 54.13 54.77 1fkr s LEU 50 Cb -0.06 -2.76 0.00 0.00 0.50 0.00 0.00 46.19 43.87 1fkr s LEU 50 CO 0.11 -0.32 0.00 0.61 -1.32 0.00 0.00 176.35 175.43 1fkr n GLY 51 N 4.24 1.10 2.47 7.98 0.00 -1.26 -4.57 105.19 115.15 1fkr n GLY 51 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.68 2.64 -0.75 1.61 4.81 -1.26 -5.01 118.16 118.51 1fkr n LYS 52 Ca 0.00 -3.95 0.00 0.00 -0.87 0.00 0.00 58.31 53.49 1fkr n LYS 52 Cb 0.00 -1.91 0.00 0.00 0.02 0.00 0.00 35.03 33.14 1fkr n LYS 52 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1fkr n GLN 53 N -0.46 -0.20 -0.08 1.64 10.64 -1.26 -4.63 117.38 123.04 1fkr n GLN 53 Ca 0.28 -0.10 -0.08 0.00 -1.83 0.00 0.00 57.00 55.26 1fkr n GLN 53 Cb 0.80 0.17 -0.14 0.00 -0.86 0.00 0.00 30.24 30.22 1fkr n GLN 53 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1fkr n GLU 54 N -0.18 1.18 -4.31 2.61 -0.58 -1.26 -4.97 120.64 113.12 1fkr n GLU 54 Ca 0.00 -0.01 -0.26 0.00 -0.42 0.00 0.00 57.16 56.47 1fkr n GLU 54 Cb 0.00 -1.44 -0.09 0.00 -0.57 0.00 0.00 31.44 29.34 1fkr n GLU 54 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1fkr s VAL 55 N -2.42 3.14 1.08 2.62 -7.23 -1.26 -5.12 120.40 111.21 1fkr s VAL 55 Ca -0.09 -1.78 -0.15 0.00 -1.81 0.00 0.00 61.98 58.16 1fkr s VAL 55 Cb 0.05 -2.58 0.23 0.00 0.56 0.00 0.00 36.38 34.64 1fkr s VAL 55 CO 0.71 -0.18 0.51 2.30 -0.31 0.00 0.00 175.10 178.13 1fkr n ILE 56 N -0.15 0.00 -0.05 -0.62 -5.35 -1.26 -4.76 119.36 107.16 1fkr n ILE 56 Ca -0.10 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.36 1fkr n ILE 56 Cb 0.56 -0.58 -0.02 0.00 -1.74 0.00 0.00 39.64 37.86 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 0.00 0.00 -0.58 6.28 1.12 -1.74 -3.18 114.38 116.27 1fkr h ARG 57 Ca -0.23 0.00 0.20 0.00 -1.11 0.00 0.00 59.98 58.84 1fkr h ARG 57 Cb 0.79 0.00 -0.06 0.00 -0.01 0.00 0.00 29.97 30.69 1fkr h ARG 57 CO 0.14 0.14 0.38 0.41 -3.11 0.00 0.00 179.97 177.93 1fkr n GLY 58 N 1.75 -0.35 0.00 2.80 0.00 -1.26 0.15 105.19 108.28 1fkr n GLY 58 Ca -0.02 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -3.48 0.00 -0.11 1.61 7.02 -1.25 -0.74 117.44 120.48 1fkr n TRP 59 Ca 0.17 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.64 1fkr n TRP 59 Cb 0.66 -0.21 0.01 0.00 -2.42 0.00 0.00 31.31 29.34 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 -1.14 -0.08 0.02 -0.99 2.13 0.12 0.26 120.64 120.96 1fkr n GLU 60 Ca 0.00 0.45 -0.10 0.00 0.66 0.00 0.00 57.16 58.18 1fkr n GLU 60 Cb 0.00 -0.67 -0.07 0.00 0.27 0.00 0.00 31.44 30.97 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 -0.15 0.00 5.31 4.81 -1.31 -2.62 114.58 120.63 1fkr h GLU 61 Ca 0.09 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1fkr h GLU 61 Cb 0.17 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1fkr h GLU 61 CO -0.29 0.31 0.00 0.41 -0.73 0.00 0.00 179.01 178.71 1fkr n GLY 62 N 0.97 -3.03 0.33 1.92 0.00 0.74 -1.57 105.19 104.55 1fkr n GLY 62 Ca -0.07 0.31 0.05 0.00 0.00 0.00 0.00 46.02 46.31 1fkr n GLY 62 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1fkr h VAL 63 N 0.00 0.08 -0.38 1.61 2.07 0.34 -0.12 116.25 119.86 1fkr h VAL 63 Ca 0.00 -0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1fkr h VAL 63 Cb 0.00 0.08 -0.08 0.00 -1.52 0.00 0.00 31.29 29.77 1fkr h VAL 63 CO 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 177.57 177.06 1fkr h ALA 64 N 1.92 -0.76 0.00 1.67 0.00 -1.22 0.52 119.26 121.39 1fkr h ALA 64 Ca 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1fkr h ALA 64 Cb 0.69 1.10 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1fkr h ALA 64 CO -0.95 -1.01 0.32 0.94 0.00 0.00 0.00 179.25 178.55 1fkr n GLN 65 N -5.22 0.02 -3.89 0.00 7.27 -0.08 -4.41 117.38 111.07 1fkr n GLN 65 Ca -0.03 0.30 -0.21 0.00 0.07 0.00 0.00 57.00 57.13 1fkr n GLN 65 Cb 0.32 -1.88 -0.02 0.00 2.41 0.00 0.00 30.24 31.08 1fkr n GLN 65 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 1fkr s MET 66 N -2.64 3.40 0.12 3.69 -1.94 0.18 -5.08 119.30 117.03 1fkr s MET 66 Ca -0.00 -0.78 0.09 0.00 -1.71 0.00 0.00 55.69 53.29 1fkr s MET 66 Cb 0.01 -2.87 -0.04 0.00 2.01 0.00 0.00 34.83 33.93 1fkr s MET 66 CO 0.02 0.38 -0.15 -1.54 -0.01 0.00 0.00 175.02 173.72 1fkr s SER 67 N -4.01 4.04 -0.77 3.03 1.04 -1.26 -4.38 113.70 111.39 1fkr s SER 67 Ca 0.36 -0.53 -0.28 0.00 0.48 0.00 0.00 55.95 55.97 1fkr s SER 67 Cb -0.09 -0.63 -0.15 0.00 0.10 0.00 0.00 66.02 65.25 1fkr s SER 67 CO 0.29 0.17 2.56 0.52 0.98 0.00 0.00 173.24 177.76 1fkr n VAL 68 N 0.67 -0.04 0.00 5.02 0.31 -0.55 0.02 118.33 123.75 1fkr n VAL 68 Ca -0.14 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 1fkr n VAL 68 Cb 0.53 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.92 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 6.27 1.31 3.74 2.92 0.00 -0.97 -4.11 105.19 114.35 1fkr n GLY 69 Ca 0.53 0.00 -0.27 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 -0.30 2.69 -0.01 1.61 0.74 0.10 -4.17 119.66 120.33 1fkr s GLN 70 Ca 0.00 -0.94 0.03 0.00 0.05 0.00 0.00 55.36 54.50 1fkr s GLN 70 Cb 0.00 -2.54 -0.01 0.00 1.10 0.00 0.00 33.01 31.56 1fkr s GLN 70 CO 0.00 0.48 -0.11 0.50 -0.55 0.00 0.00 175.29 175.61 1fkr s ARG 71 N -2.94 0.90 0.33 1.67 3.52 -0.96 -1.88 118.95 119.59 1fkr s ARG 71 Ca 0.29 -0.40 -0.04 0.00 -0.13 0.00 0.00 55.73 55.45 1fkr s ARG 71 Cb -0.10 -0.87 0.00 0.00 -1.56 0.00 0.00 34.95 32.42 1fkr s ARG 71 CO 0.21 0.24 0.47 0.00 -0.81 0.00 0.00 175.30 175.41 1fkr s ALA 72 N -0.27 0.66 -0.27 6.12 0.00 -0.10 -2.00 121.76 125.90 1fkr s ALA 72 Ca 0.04 -1.45 0.01 0.00 0.00 0.00 0.00 51.96 50.56 1fkr s ALA 72 Cb -0.04 1.14 0.08 0.00 0.00 0.00 0.00 23.12 24.30 1fkr s ALA 72 CO -0.00 -0.80 0.01 0.21 0.00 0.00 0.00 175.76 175.18 1fkr s LYS 73 N -3.14 1.31 0.11 0.00 2.20 -0.39 -1.47 119.74 118.37 1fkr s LYS 73 Ca 0.30 -1.18 0.01 0.00 -0.36 0.00 0.00 55.97 54.74 1fkr s LYS 73 Cb -0.00 -2.55 -0.04 0.00 -1.51 0.00 0.00 37.83 33.73 1fkr s LYS 73 CO 0.19 -0.77 0.26 -0.51 -0.36 0.00 0.00 175.35 174.15 1fkr s LEU 74 N 1.37 4.34 -0.15 5.43 1.43 0.17 -1.70 118.68 129.57 1fkr s LEU 74 Ca 0.02 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 1fkr s LEU 74 Cb -0.18 -2.95 0.02 0.00 0.03 0.00 0.00 46.19 43.11 1fkr s LEU 74 CO -0.12 0.10 -0.14 -0.89 0.23 0.00 0.00 176.35 175.54 1fkr s THR 75 N -1.64 1.57 -0.05 5.49 2.01 -1.01 -2.28 115.64 119.72 1fkr s THR 75 Ca 0.35 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 61.73 1fkr s THR 75 Cb -0.12 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.88 1fkr s THR 75 CO 0.28 0.45 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.93 1fkr s ILE 76 N 1.49 3.41 0.19 1.82 1.01 -0.58 -1.74 121.20 126.79 1fkr s ILE 76 Ca 0.05 -0.61 0.08 0.00 0.00 0.00 0.00 60.65 60.17 1fkr s ILE 76 Cb -0.13 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 1fkr s ILE 76 CO -0.11 0.58 0.00 -0.94 0.00 0.00 0.00 174.94 174.48 1fkr s SER 77 N -0.82 4.74 0.23 3.58 1.04 -1.20 -2.21 113.70 119.06 1fkr s SER 77 Ca 0.12 -0.43 -0.10 0.00 0.48 0.00 0.00 55.95 56.02 1fkr s SER 77 Cb -0.11 -0.99 0.34 0.00 0.10 0.00 0.00 66.02 65.36 1fkr s SER 77 CO 0.01 0.07 1.39 -0.81 0.98 0.00 0.00 173.24 174.89 1fkr n PRO 78 N -0.25 -0.13 -0.31 4.02 -0.04 -1.26 -0.65 135.00 136.38 1fkr n PRO 78 Ca -0.09 1.39 0.28 0.00 -0.04 0.00 0.00 63.50 65.03 1fkr n PRO 78 Cb 0.56 -2.06 0.51 0.00 -0.04 0.00 0.00 33.50 32.47 1fkr n PRO 78 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1fkr n ASP 79 N -5.40 0.25 -0.13 3.54 5.75 -1.01 -1.26 116.55 118.30 1fkr n ASP 79 Ca 0.12 1.61 -0.27 0.00 -0.01 0.00 0.00 54.79 56.24 1fkr n ASP 79 Cb 0.41 -0.74 -0.09 0.00 -1.03 0.00 0.00 41.12 39.67 1fkr n ASP 79 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1fkr n TYR 80 N -5.23 0.00 0.00 2.11 4.02 0.18 -4.45 117.16 113.79 1fkr n TYR 80 Ca 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.23 1fkr n TYR 80 Cb 1.15 -0.92 0.00 0.00 -0.02 0.00 0.00 39.34 39.55 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 -4.22 0.00 -0.58 -0.72 0.00 -0.50 -3.17 120.51 111.31 1fkr n ALA 81 Ca -0.50 0.00 0.02 0.00 0.00 0.00 0.00 53.44 52.97 1fkr n ALA 81 Cb 0.84 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.32 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 0.00 0.00 0.00 0.00 4.01 -1.23 -4.36 117.16 115.57 1fkr n TYR 82 Ca 0.00 -0.48 0.00 0.00 -0.16 0.00 0.00 57.90 57.26 1fkr n TYR 82 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 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 -0.58 1.22 1.33 2.72 0.00 -0.38 -4.64 105.19 104.85 1fkr n GLY 83 Ca 0.04 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 0.14 3.00 -2.63 4.61 0.00 -1.26 -2.40 120.51 121.97 1fkr n ALA 84 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1fkr n ALA 84 Cb 0.00 0.30 -0.08 0.00 0.00 0.00 0.00 19.45 19.67 1fkr n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1fkr s THR 85 N -2.00 3.43 0.00 0.00 2.01 -1.26 -3.15 115.64 114.66 1fkr s THR 85 Ca 0.00 -1.82 0.00 0.00 0.31 0.00 0.00 61.69 60.18 1fkr s THR 85 Cb 0.00 -2.80 0.00 0.00 0.01 0.00 0.00 72.50 69.71 1fkr s THR 85 CO 0.00 -0.30 0.00 0.61 -0.69 0.00 0.00 174.62 174.24 1fkr n GLY 86 N -0.66 3.59 3.68 4.40 0.00 -1.24 -4.91 105.19 110.05 1fkr n GLY 86 Ca -0.07 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 1fkr n GLY 86 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1fkr s HIS 87 N 4.00 2.72 -0.39 1.61 3.76 0.63 -4.87 115.29 122.76 1fkr s HIS 87 Ca 0.00 -0.26 0.01 0.00 -0.15 0.00 0.00 55.06 54.66 1fkr s HIS 87 Cb 0.00 -1.32 0.41 0.00 1.11 0.00 0.00 32.58 32.78 1fkr s HIS 87 CO 0.00 0.55 1.81 -0.35 -0.85 0.00 0.00 174.74 175.90 1fkr n PRO 88 N -0.98 2.02 0.03 8.40 -0.04 -1.26 0.04 135.00 143.22 1fkr n PRO 88 Ca -0.06 -2.22 0.00 0.00 -0.04 0.00 0.00 63.50 61.18 1fkr n PRO 88 Cb 0.60 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 1fkr n PRO 88 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fkr n GLY 89 N -0.48 -0.06 0.63 0.55 0.00 -1.26 -4.94 105.19 99.64 1fkr n GLY 89 Ca 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.41 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 -2.96 0.24 -3.61 -0.61 5.41 -1.26 -4.89 119.36 111.69 1fkr n ILE 90 Ca 0.00 -0.07 -0.33 0.00 1.00 0.00 0.00 62.75 63.35 1fkr n ILE 90 Cb 0.16 -1.31 -0.08 0.00 -0.71 0.00 0.00 39.64 37.70 1fkr n ILE 90 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1fkr n ILE 91 N -3.04 2.73 -0.81 1.39 2.08 -1.25 -4.91 119.36 115.55 1fkr n ILE 91 Ca -0.08 -5.15 -0.29 0.00 0.56 0.00 0.00 62.75 57.79 1fkr n ILE 91 Cb 0.57 -2.24 0.03 0.00 -0.75 0.00 0.00 39.64 37.24 1fkr n ILE 91 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 1fkr n PRO 92 N 1.80 0.00 -0.54 0.38 -0.02 0.11 0.23 135.00 136.96 1fkr n PRO 92 Ca 0.23 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.42 1fkr n PRO 92 Cb 0.37 -0.79 0.23 0.00 -0.02 0.00 0.00 33.50 33.29 1fkr n PRO 92 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1fkr n PRO 93 N 1.86 -2.08 -1.80 0.52 -0.04 -1.26 -3.85 135.00 128.35 1fkr n PRO 93 Ca -0.01 -0.58 0.00 0.00 -0.04 0.00 0.00 63.50 62.88 1fkr n PRO 93 Cb 0.43 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 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 -4.78 0.00 -3.85 0.54 8.25 -1.19 -4.80 115.22 109.40 1fkr n HIS 94 Ca 0.03 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.20 1fkr n HIS 94 Cb 0.55 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.55 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 -2.41 3.89 0.17 -1.41 0.00 -1.25 -5.08 121.76 115.68 1fkr s ALA 95 Ca 0.00 -3.83 -0.11 0.00 0.00 0.00 0.00 51.96 48.02 1fkr s ALA 95 Cb 0.00 -2.29 -0.07 0.00 0.00 0.00 0.00 23.12 20.75 1fkr s ALA 95 CO 0.00 -2.11 0.09 2.41 0.00 0.00 0.00 175.76 176.16 1fkr n THR 96 N 2.06 0.46 -4.19 0.00 -1.04 -1.26 -4.95 114.28 105.35 1fkr n THR 96 Ca 0.20 -0.23 -0.29 0.00 -2.04 0.00 0.00 64.05 61.69 1fkr n THR 96 Cb 0.35 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.78 1fkr n THR 96 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1fkr s LEU 97 N 1.88 3.25 -0.06 -4.42 1.43 -0.94 -4.40 118.68 115.43 1fkr s LEU 97 Ca 0.28 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1fkr s LEU 97 Cb -0.33 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 43.94 1fkr s LEU 97 CO 0.29 0.14 -0.03 -0.69 0.23 0.00 0.00 176.35 176.29 1fkr s VAL 98 N -1.44 0.55 -0.02 -1.59 1.01 -0.83 -1.53 120.40 116.55 1fkr s VAL 98 Ca 0.25 -0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.24 1fkr s VAL 98 Cb -0.11 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 1fkr s VAL 98 CO 0.17 0.26 -0.26 -0.36 0.00 0.00 0.00 175.10 174.91 1fkr s PHE 99 N 1.36 2.30 -0.39 5.22 0.40 -0.97 -1.38 117.98 124.52 1fkr s PHE 99 Ca -0.04 -0.45 0.02 0.00 -0.60 0.00 0.00 56.93 55.86 1fkr s PHE 99 Cb -0.13 -1.48 0.11 0.00 0.51 0.00 0.00 43.02 42.02 1fkr s PHE 99 CO -0.03 -0.05 0.13 0.16 0.70 0.00 0.00 175.22 176.14 1fkr s ASP 100 N -0.58 4.90 0.15 1.36 -4.77 -1.05 -0.65 116.67 116.02 1fkr s ASP 100 Ca 0.09 -2.22 0.06 0.00 -3.30 0.00 0.00 52.55 47.19 1fkr s ASP 100 Cb -0.10 -1.70 -0.04 0.00 -1.09 0.00 0.00 42.92 39.99 1fkr s ASP 100 CO -0.01 -0.42 0.05 -0.69 0.70 0.00 0.00 175.17 174.80 1fkr s VAL 101 N 0.84 4.07 -0.28 2.11 1.01 -0.54 -2.81 120.40 124.80 1fkr s VAL 101 Ca 0.11 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 60.89 1fkr s VAL 101 Cb -0.21 -3.03 0.08 0.00 0.00 0.00 0.00 36.38 33.22 1fkr s VAL 101 CO -0.06 -0.05 0.03 -0.70 0.00 0.00 0.00 175.10 174.32 1fkr s GLU 102 N -2.85 1.14 -0.14 2.72 2.12 -0.83 -0.92 118.70 119.95 1fkr s GLU 102 Ca 0.28 -1.12 -0.29 0.00 0.36 0.00 0.00 54.97 54.20 1fkr s GLU 102 Cb -0.10 -2.42 -0.02 0.00 0.26 0.00 0.00 34.13 31.85 1fkr s GLU 102 CO 0.20 -0.81 1.24 -1.17 -0.54 0.00 0.00 175.26 174.18 1fkr s LEU 103 N 1.44 4.20 -0.17 2.70 2.96 -0.79 -2.53 118.68 126.50 1fkr s LEU 103 Ca 0.04 1.71 -0.13 0.00 -0.22 0.00 0.00 54.13 55.53 1fkr s LEU 103 Cb -0.18 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.90 1fkr s LEU 103 CO -0.14 -0.71 -0.18 0.18 -1.32 0.00 0.00 176.35 174.19 1fkr n LEU 104 N 6.21 1.86 -3.88 -0.68 4.77 0.56 -2.28 117.00 123.56 1fkr n LEU 104 Ca 0.13 0.51 -0.09 0.00 -0.03 0.00 0.00 56.01 56.54 1fkr n LEU 104 Cb 0.45 -0.85 -0.01 0.00 -2.33 0.00 0.00 43.42 40.68 1fkr n LEU 104 CO 0.55 -0.24 0.43 -0.75 -1.33 0.00 0.00 177.39 176.05 1fkr s LYS 105 N -2.44 1.93 0.02 3.23 2.20 -1.04 -4.36 119.74 119.28 1fkr s LYS 105 Ca -0.22 -1.25 0.07 0.00 -0.36 0.00 0.00 55.97 54.22 1fkr s LYS 105 Cb 0.04 0.58 -0.03 0.00 -1.51 0.00 0.00 37.83 36.92 1fkr s LYS 105 CO 0.34 -0.88 -0.21 -0.51 -0.36 0.00 0.00 175.35 173.73 1fkr s LEU 106 N -3.01 2.41 0.00 5.43 1.43 -1.26 -0.25 118.68 123.43 1fkr s LEU 106 Ca 0.16 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1fkr s LEU 106 Cb -0.05 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.75 1fkr s LEU 106 CO 0.10 0.28 0.13 -0.62 0.23 0.00 0.00 176.35 176.48