#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fbl s GLU 3 N 0.00 2.85 -0.14 -2.82 1.03 -1.26 -5.02 118.70 113.34 2fbl s GLU 3 Ca 0.00 1.79 -0.00 0.00 0.03 0.00 0.00 54.97 56.79 2fbl s GLU 3 Cb 0.00 -1.92 -0.01 0.00 -0.80 0.00 0.00 34.13 31.40 2fbl s GLU 3 CO 0.00 -1.29 -0.13 -1.50 -1.33 0.00 0.00 175.26 171.01 2fbl s ILE 4 N -1.69 3.00 -0.02 1.83 1.10 -1.26 -5.06 121.20 119.10 2fbl s ILE 4 Ca 0.76 -0.67 -0.23 0.00 -0.51 0.00 0.00 60.65 60.01 2fbl s ILE 4 Cb -0.30 -2.27 0.05 0.00 0.15 0.00 0.00 42.46 40.09 2fbl s ILE 4 CO 0.35 0.52 0.49 -1.83 -2.11 0.00 0.00 174.94 172.36 2fbl s GLU 5 N 0.50 0.89 0.07 3.50 -1.05 -1.26 0.01 118.70 121.36 2fbl s GLU 5 Ca -0.09 -0.01 0.05 0.00 -0.15 0.00 0.00 54.97 54.77 2fbl s GLU 5 Cb -0.16 0.41 -0.03 0.00 -0.44 0.00 0.00 34.13 33.91 2fbl s GLU 5 CO 0.04 -0.27 -0.14 1.03 0.95 0.00 0.00 175.26 176.86 2fbl s ARG 6 N -1.45 0.85 -0.01 -4.83 0.52 -0.94 -4.96 118.95 108.14 2fbl s ARG 6 Ca -0.11 -0.93 0.05 0.00 -0.52 0.00 0.00 55.73 54.23 2fbl s ARG 6 Cb -0.02 -0.88 -0.01 0.00 0.52 0.00 0.00 34.95 34.56 2fbl s ARG 6 CO 0.06 0.20 -0.18 0.21 0.02 0.00 0.00 175.30 175.61 2fbl s LYS 7 N -1.63 1.40 0.07 3.54 2.20 -1.26 -0.37 119.74 123.67 2fbl s LYS 7 Ca -0.01 -0.65 0.03 0.00 -0.36 0.00 0.00 55.97 54.98 2fbl s LYS 7 Cb -0.10 -1.36 -0.03 0.00 -1.51 0.00 0.00 37.83 34.83 2fbl s LYS 7 CO 0.02 0.37 -0.10 -0.06 -0.36 0.00 0.00 175.35 175.23 2fbl s PHE 8 N -0.45 0.91 1.10 4.03 0.08 0.35 0.03 117.98 124.02 2fbl s PHE 8 Ca 0.07 -0.57 -0.14 0.00 0.12 0.00 0.00 56.93 56.40 2fbl s PHE 8 Cb -0.07 -0.52 0.19 0.00 -0.57 0.00 0.00 43.02 42.05 2fbl s PHE 8 CO -0.00 -0.04 0.71 1.28 -0.10 0.00 0.00 175.22 177.07 2fbl n LEU 9 N 1.04 -0.74 -4.19 -0.37 4.77 -0.03 -0.14 117.00 117.33 2fbl n LEU 9 Ca -0.20 -0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.45 2fbl n LEU 9 Cb 0.56 -1.21 -0.16 0.00 -2.33 0.00 0.00 43.42 40.28 2fbl n LEU 9 CO 0.23 -3.10 -0.49 -0.69 -1.33 0.00 0.00 177.39 172.01 2fbl s VAL 10 N -2.40 2.43 -0.04 4.08 1.01 -1.08 -0.12 120.40 124.28 2fbl s VAL 10 Ca 0.64 -0.83 -0.15 0.00 0.00 0.00 0.00 61.98 61.64 2fbl s VAL 10 Cb -0.21 -2.03 -0.32 0.00 0.00 0.00 0.00 36.38 33.82 2fbl s VAL 10 CO 0.65 0.51 0.77 0.00 0.00 0.00 0.00 175.10 177.03 2fbl h ALA 11 N 7.76 0.04 -3.50 5.51 0.00 -0.58 -3.43 119.26 125.06 2fbl h ALA 11 Ca -0.41 -1.00 -0.33 0.00 0.00 0.00 0.00 54.91 53.17 2fbl h ALA 11 Cb 1.16 0.34 -0.34 0.00 0.00 0.00 0.00 17.79 18.95 2fbl h ALA 11 CO 0.61 0.81 -0.74 0.99 0.00 0.00 0.00 179.25 180.92 2fbl s THR 12 N -2.55 0.09 0.25 0.00 2.01 -0.76 -5.02 115.64 109.66 2fbl s THR 12 Ca -0.15 0.14 -0.31 0.00 0.31 0.00 0.00 61.69 61.69 2fbl s THR 12 Cb 0.04 -0.20 -0.12 0.00 0.01 0.00 0.00 72.50 72.23 2fbl s THR 12 CO 0.86 0.13 1.66 0.12 -0.69 0.00 0.00 174.62 176.70 2fbl s PHE 13 N 1.09 2.82 0.65 4.92 5.36 -1.26 -4.79 117.98 126.78 2fbl s PHE 13 Ca -0.09 0.57 -0.11 0.00 -0.96 0.00 0.00 56.93 56.34 2fbl s PHE 13 Cb -0.13 -4.10 -0.02 0.00 -0.34 0.00 0.00 43.02 38.42 2fbl s PHE 13 CO -0.02 -3.95 1.04 -1.25 -1.46 0.00 0.00 175.22 169.58 2fbl s PRO 14 N 0.31 3.31 0.13 10.12 0.04 -1.26 -5.08 135.00 142.57 2fbl s PRO 14 Ca 0.69 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.58 2fbl s PRO 14 Cb -0.49 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.04 2fbl s PRO 14 CO 0.40 -0.80 0.18 -0.40 0.04 0.00 0.00 177.00 176.42 2fbl n ASP 15 N -2.89 0.29 0.00 6.66 5.68 -1.26 -5.02 116.55 120.01 2fbl n ASP 15 Ca 0.07 -1.23 0.00 0.00 -0.50 0.00 0.00 54.79 53.12 2fbl n ASP 15 Cb 0.54 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 2fbl n ASP 15 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2fbl n GLY 16 N 3.58 -3.22 3.62 6.12 0.00 -1.26 -4.91 105.19 109.11 2fbl n GLY 16 Ca 0.03 -2.06 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 2fbl n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2fbl s GLU 17 N -0.59 3.91 -0.03 1.61 2.12 -1.26 -5.03 118.70 119.43 2fbl s GLU 17 Ca 0.00 0.84 0.07 0.00 0.36 0.00 0.00 54.97 56.24 2fbl s GLU 17 Cb 0.00 -3.81 -0.02 0.00 0.26 0.00 0.00 34.13 30.56 2fbl s GLU 17 CO 0.00 -1.11 -0.25 -0.51 -0.54 0.00 0.00 175.26 172.85 2fbl s LEU 18 N 4.00 2.09 -0.20 2.70 1.43 -1.26 -4.53 118.68 122.91 2fbl s LEU 18 Ca 0.46 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 53.04 2fbl s LEU 18 Cb -0.10 -1.36 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 2fbl s LEU 18 CO 0.23 0.30 -0.00 -2.28 0.23 0.00 0.00 176.35 174.82 2fbl s HIS 19 N -0.47 3.04 -0.17 0.29 5.65 -0.39 -4.90 115.29 118.33 2fbl s HIS 19 Ca 0.06 -0.47 -0.09 0.00 0.25 0.00 0.00 55.06 54.80 2fbl s HIS 19 Cb -0.11 -2.09 -0.05 0.00 -1.18 0.00 0.00 32.58 29.16 2fbl s HIS 19 CO 0.01 -0.25 0.13 0.00 -0.65 0.00 0.00 174.74 173.98 2fbl s ALA 20 N 1.02 3.76 -0.09 1.58 0.00 -1.26 -0.84 121.76 125.94 2fbl s ALA 20 Ca 0.02 -0.67 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 2fbl s ALA 20 Cb -0.14 -2.09 0.03 0.00 0.00 0.00 0.00 23.12 20.91 2fbl s ALA 20 CO 0.02 0.34 -0.01 0.08 0.00 0.00 0.00 175.76 176.18 2fbl s VAL 21 N -0.18 0.49 0.30 0.00 1.01 -0.03 -4.98 120.40 117.02 2fbl s VAL 21 Ca 0.11 0.02 -0.28 0.00 0.00 0.00 0.00 61.98 61.82 2fbl s VAL 21 Cb -0.11 -0.65 -0.09 0.00 0.00 0.00 0.00 36.38 35.53 2fbl s VAL 21 CO 0.00 0.25 1.03 -2.16 0.00 0.00 0.00 175.10 174.23 2fbl s PRO 22 N 1.92 4.59 0.01 2.72 0.04 -1.26 -1.23 135.00 141.79 2fbl s PRO 22 Ca 0.05 1.61 0.03 0.00 0.04 0.00 0.00 61.00 62.73 2fbl s PRO 22 Cb -0.13 -3.03 -0.01 0.00 0.04 0.00 0.00 34.50 31.37 2fbl s PRO 22 CO -0.06 0.23 -0.10 -0.51 0.04 0.00 0.00 177.00 176.60 2fbl s LEU 23 N -1.69 2.07 -0.03 -3.56 1.43 0.05 -2.63 118.68 114.32 2fbl s LEU 23 Ca 0.47 -0.25 -0.00 0.00 -1.03 0.00 0.00 54.13 53.31 2fbl s LEU 23 Cb -0.27 -0.47 0.03 0.00 0.03 0.00 0.00 46.19 45.51 2fbl s LEU 23 CO 0.34 0.07 0.03 -0.13 0.23 0.00 0.00 176.35 176.89 2fbl s ARG 24 N -0.51 0.02 -0.01 1.70 0.52 -1.07 -1.66 118.95 117.94 2fbl s ARG 24 Ca 0.02 0.21 -0.10 0.00 -0.52 0.00 0.00 55.73 55.34 2fbl s ARG 24 Cb -0.05 -0.36 0.01 0.00 0.52 0.00 0.00 34.95 35.07 2fbl s ARG 24 CO 0.00 -0.20 0.21 1.14 0.02 0.00 0.00 175.30 176.47 2fbl s GLN 25 N 1.34 0.53 -0.10 3.54 -2.07 -0.50 -0.10 119.66 122.30 2fbl s GLN 25 Ca -0.06 -0.24 -0.30 0.00 -1.82 0.00 0.00 55.36 52.94 2fbl s GLN 25 Cb -0.13 0.23 0.08 0.00 -1.09 0.00 0.00 33.01 32.10 2fbl s GLN 25 CO -0.03 -0.13 0.77 0.20 -1.32 0.00 0.00 175.29 174.78 2fbl s GLY 26 N -1.19 -0.49 -0.20 2.60 0.00 0.21 -1.08 107.32 107.16 2fbl s GLY 26 Ca -0.13 1.58 -0.10 0.00 0.00 0.00 0.00 44.72 46.08 2fbl s GLY 26 CO 0.02 1.06 0.12 -0.19 0.00 0.00 0.00 173.10 174.12 2fbl s TYR 27 N -1.01 3.36 -0.04 1.90 2.02 -0.42 -0.43 117.35 122.73 2fbl s TYR 27 Ca -0.08 0.26 0.12 0.00 -0.37 0.00 0.00 57.07 57.00 2fbl s TYR 27 Cb -0.01 -2.17 -0.05 0.00 -0.40 0.00 0.00 41.96 39.34 2fbl s TYR 27 CO 0.07 0.22 1.37 -0.07 -1.57 0.00 0.00 175.55 175.57 2fbl h LEU 28 N 6.84 0.00-10.41 -1.29 3.38 -0.92 -3.41 115.31 109.50 2fbl h LEU 28 Ca -0.40 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.14 2fbl h LEU 28 Cb 1.16 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.93 2fbl h LEU 28 CO 0.73 0.71 -0.22 0.42 0.09 0.00 0.00 178.44 180.17 2fbl s THR 29 N -2.85 3.36 0.14 0.22 -4.23 -1.24 -4.94 115.64 106.10 2fbl s THR 29 Ca 0.03 -0.87 0.09 0.00 -1.18 0.00 0.00 61.69 59.75 2fbl s THR 29 Cb 0.09 -3.17 -0.04 0.00 1.34 0.00 0.00 72.50 70.71 2fbl s THR 29 CO 0.78 -0.08 -0.13 0.42 -0.54 0.00 0.00 174.62 175.06 2fbl s THR 30 N -2.40 3.07 0.61 3.99 -4.23 -1.26 -4.92 115.64 110.50 2fbl s THR 30 Ca 0.52 -1.52 0.29 0.00 -1.18 0.00 0.00 61.69 59.79 2fbl s THR 30 Cb -0.10 -2.46 0.36 0.00 1.34 0.00 0.00 72.50 71.64 2fbl s THR 30 CO 0.34 0.02 1.89 -0.65 -0.54 0.00 0.00 174.62 175.68 2fbl h PRO 31 N 3.39 0.00 -0.00 3.99 0.11 -2.01 0.82 132.00 138.30 2fbl h PRO 31 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2fbl h PRO 31 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2fbl h PRO 31 CO 0.50 0.00 -0.14 0.25 -0.21 0.00 0.00 178.00 178.40 2fbl n THR 32 N -3.53 0.00 -0.79 -1.15 -2.24 -1.26 -4.89 114.28 100.42 2fbl n THR 32 Ca 0.06 -0.05 -0.30 0.00 -2.27 0.00 0.00 64.05 61.49 2fbl n THR 32 Cb 0.61 -0.10 0.17 0.00 -2.10 0.00 0.00 70.33 68.91 2fbl n THR 32 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2fbl s ASP 33 N -2.61 2.75 0.41 3.42 1.01 0.28 -4.91 116.67 117.02 2fbl s ASP 33 Ca 0.25 1.92 0.22 0.00 0.71 0.00 0.00 52.55 55.65 2fbl s ASP 33 Cb 0.20 -2.46 0.73 0.00 1.01 0.00 0.00 42.92 42.39 2fbl s ASP 33 CO 0.51 -3.16 1.74 0.77 0.21 0.00 0.00 175.17 175.24 2fbl h SER 34 N -1.91 0.00 -3.97 0.27 4.64 -1.90 -3.44 113.55 107.24 2fbl h SER 34 Ca -0.48 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.49 2fbl h SER 34 Cb 1.28 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.22 2fbl h SER 34 CO 0.46 0.26 -0.68 0.27 -0.87 0.00 0.00 176.83 176.28 2fbl s ILE 35 N -3.50 1.05 -0.21 0.95 -4.36 -1.26 -4.49 121.20 109.38 2fbl s ILE 35 Ca 0.02 -2.04 -0.05 0.00 -0.26 0.00 0.00 60.65 58.32 2fbl s ILE 35 Cb 0.09 -2.15 -0.02 0.00 1.25 0.00 0.00 42.46 41.64 2fbl s ILE 35 CO 0.66 -0.49 -0.01 -0.70 0.24 0.00 0.00 174.94 174.64 2fbl s GLU 36 N -3.83 3.52 -0.18 0.37 2.12 0.73 -4.82 118.70 116.61 2fbl s GLU 36 Ca 0.24 -0.56 0.01 0.00 0.36 0.00 0.00 54.97 55.02 2fbl s GLU 36 Cb 0.05 -3.07 0.03 0.00 0.26 0.00 0.00 34.13 31.39 2fbl s GLU 36 CO 0.05 -0.10 -0.18 -1.17 -0.54 0.00 0.00 175.26 173.33 2fbl s LEU 37 N 1.27 2.21 0.00 2.70 2.96 -1.26 -0.74 118.68 125.83 2fbl s LEU 37 Ca 0.04 -0.72 0.06 0.00 -0.22 0.00 0.00 54.13 53.29 2fbl s LEU 37 Cb -0.15 -1.43 -0.02 0.00 0.50 0.00 0.00 46.19 45.10 2fbl s LEU 37 CO 0.00 -0.04 -0.18 -0.60 -1.32 0.00 0.00 176.35 174.22 2fbl s ARG 38 N 1.30 1.34 -0.11 1.98 3.52 -0.46 -0.32 118.95 126.21 2fbl s ARG 38 Ca 0.03 -0.69 -0.02 0.00 -0.13 0.00 0.00 55.73 54.92 2fbl s ARG 38 Cb -0.14 -1.33 -0.03 0.00 -1.56 0.00 0.00 34.95 31.89 2fbl s ARG 38 CO -0.12 0.36 -0.05 -0.51 -0.81 0.00 0.00 175.30 174.17 2fbl s LEU 39 N -0.63 3.23 0.01 -0.88 1.43 0.43 -0.54 118.68 121.73 2fbl s LEU 39 Ca 0.06 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 2fbl s LEU 39 Cb -0.07 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 2fbl s LEU 39 CO 0.00 0.27 -0.02 0.00 0.23 0.00 0.00 176.35 176.82 2fbl s ARG 40 N -0.23 0.21 -0.14 1.70 1.70 -0.28 -0.62 118.95 121.28 2fbl s ARG 40 Ca 0.04 -0.34 -0.00 0.00 -0.47 0.00 0.00 55.73 54.96 2fbl s ARG 40 Cb -0.13 -0.02 -0.01 0.00 -0.57 0.00 0.00 34.95 34.22 2fbl s ARG 40 CO 0.02 -0.01 -0.13 -1.14 -1.08 0.00 0.00 175.30 172.96 2fbl s GLN 41 N -0.75 3.32 -0.45 3.89 0.74 0.86 -0.65 119.66 126.62 2fbl s GLN 41 Ca -0.07 -0.71 0.04 0.00 0.05 0.00 0.00 55.36 54.66 2fbl s GLN 41 Cb -0.05 -2.65 0.12 0.00 1.10 0.00 0.00 33.01 31.53 2fbl s GLN 41 CO -0.00 0.12 0.20 -1.14 -0.55 0.00 0.00 175.29 173.91 2fbl s GLN 42 N 0.58 1.70 4.50 1.67 2.00 -0.61 -2.59 119.66 126.92 2fbl s GLN 42 Ca -0.08 -2.28 0.00 0.00 -2.00 0.00 0.00 55.36 51.00 2fbl s GLN 42 Cb -0.16 -3.09 0.00 0.00 0.80 0.00 0.00 33.01 30.56 2fbl s GLN 42 CO 0.03 -1.07 0.00 0.41 -0.50 0.00 0.00 175.29 174.16 2fbl n GLY 43 N 3.53 0.80 0.76 2.59 0.00 -1.08 -2.10 105.19 109.69 2fbl n GLY 43 Ca 0.05 0.56 0.08 0.00 0.00 0.00 0.00 46.02 46.70 2fbl n GLY 43 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2fbl n THR 44 N 0.00 0.45 -4.36 2.61 5.66 -1.26 -4.98 114.28 112.40 2fbl n THR 44 Ca 0.00 -0.72 -0.21 0.00 -3.05 0.00 0.00 64.05 60.06 2fbl n THR 44 Cb 0.00 0.96 -0.11 0.00 -1.55 0.00 0.00 70.33 69.63 2fbl n THR 44 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2fbl s GLU 45 N -1.18 1.37 -0.00 1.09 2.02 -0.89 -5.02 118.70 116.09 2fbl s GLU 45 Ca 0.25 -1.54 0.01 0.00 0.02 0.00 0.00 54.97 53.71 2fbl s GLU 45 Cb 0.15 -1.34 -0.00 0.00 0.10 0.00 0.00 34.13 33.04 2fbl s GLU 45 CO 0.21 0.25 -0.03 0.71 0.02 0.00 0.00 175.26 176.42 2fbl s TYR 46 N -2.46 0.30 0.03 1.61 2.02 -1.26 -1.57 117.35 116.02 2fbl s TYR 46 Ca 0.21 -0.07 0.01 0.00 -0.37 0.00 0.00 57.07 56.85 2fbl s TYR 46 Cb -0.04 -0.19 -0.02 0.00 -0.40 0.00 0.00 41.96 41.31 2fbl s TYR 46 CO 0.08 -0.01 -0.05 -0.06 -1.57 0.00 0.00 175.55 173.95 2fbl s PHE 47 N -0.11 0.46 -0.07 2.71 0.08 0.18 -0.67 117.98 120.55 2fbl s PHE 47 Ca 0.01 -0.59 0.05 0.00 0.12 0.00 0.00 56.93 56.52 2fbl s PHE 47 Cb -0.01 -0.30 -0.00 0.00 -0.57 0.00 0.00 43.02 42.13 2fbl s PHE 47 CO -0.00 -0.17 -0.22 1.41 -0.10 0.00 0.00 175.22 176.13 2fbl s MET 48 N -1.86 2.53 -0.06 0.44 -2.45 0.18 -1.13 119.30 116.94 2fbl s MET 48 Ca -0.10 -0.81 0.05 0.00 -1.25 0.00 0.00 55.69 53.58 2fbl s MET 48 Cb -0.07 -2.05 -0.01 0.00 1.25 0.00 0.00 34.83 33.94 2fbl s MET 48 CO -0.02 0.27 -0.23 0.99 1.05 0.00 0.00 175.02 177.09 2fbl s THR 49 N 0.09 2.27 -0.15 10.11 2.01 0.30 -0.98 115.64 129.30 2fbl s THR 49 Ca -0.09 -0.99 0.02 0.00 0.31 0.00 0.00 61.69 60.93 2fbl s THR 49 Cb -0.15 -1.84 0.01 0.00 0.01 0.00 0.00 72.50 70.53 2fbl s THR 49 CO 0.05 0.57 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.13 2fbl s LEU 50 N -0.20 2.20 -0.02 4.42 0.20 0.47 -1.35 118.68 124.39 2fbl s LEU 50 Ca -0.02 -0.57 0.08 0.00 0.69 0.00 0.00 54.13 54.30 2fbl s LEU 50 Cb -0.13 -1.48 -0.02 0.00 -0.43 0.00 0.00 46.19 44.13 2fbl s LEU 50 CO 0.03 0.08 -0.26 -0.54 -0.29 0.00 0.00 176.35 175.37 2fbl s LYS 51 N 0.84 2.10 -0.03 1.98 1.02 0.09 0.22 119.74 125.96 2fbl s LYS 51 Ca -0.06 -0.92 0.00 0.00 0.02 0.00 0.00 55.97 55.01 2fbl s LYS 51 Cb -0.15 -2.03 0.02 0.00 -0.52 0.00 0.00 37.83 35.15 2fbl s LYS 51 CO -0.02 0.55 -0.00 -1.54 -0.92 0.00 0.00 175.35 173.42 2fbl s SER 52 N -0.60 0.42 -0.20 2.83 1.04 -0.86 -0.19 113.70 116.14 2fbl s SER 52 Ca 0.10 -0.03 0.17 0.00 0.48 0.00 0.00 55.95 56.67 2fbl s SER 52 Cb -0.10 -0.21 -0.24 0.00 0.10 0.00 0.00 66.02 65.57 2fbl s SER 52 CO -0.01 -0.09 0.06 1.21 0.98 0.00 0.00 173.24 175.39 2fbl n GLU 53 N 4.05 0.79 -2.10 4.02 4.07 -1.26 -3.94 120.64 126.26 2fbl n GLU 53 Ca -0.26 -0.01 -0.38 0.00 -0.06 0.00 0.00 57.16 56.45 2fbl n GLU 53 Cb 0.51 -1.50 0.01 0.00 -0.06 0.00 0.00 31.44 30.39 2fbl n GLU 53 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2fbl n GLY 54 N 1.80 5.45 0.00 8.31 0.00 -1.26 -5.16 105.19 114.34 2fbl n GLY 54 Ca -0.32 -2.31 0.00 0.00 0.00 0.00 0.00 46.02 43.38 2fbl n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fbl n GLY 55 N 0.36 -3.29 2.62 -0.02 0.00 -1.25 -5.07 105.19 98.53 2fbl n GLY 55 Ca 0.53 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 2fbl n GLY 55 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2fbl n ARG 58 N 0.00 0.42 0.00 1.61 1.85 -1.26 -5.12 116.66 114.16 2fbl n ARG 58 Ca 0.00 -2.46 0.00 0.00 -1.00 0.00 0.00 57.85 54.39 2fbl n ARG 58 Cb 0.00 -1.54 0.00 0.00 -1.05 0.00 0.00 32.46 29.87 2fbl n ARG 58 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 2fbl n GLN 59 N 2.85 0.75 -4.51 2.89 7.27 -1.26 -4.99 117.38 120.38 2fbl n GLN 59 Ca 0.22 0.00 -0.21 0.00 0.07 0.00 0.00 57.00 57.08 2fbl n GLN 59 Cb 0.53 -0.06 -0.15 0.00 2.41 0.00 0.00 30.24 32.97 2fbl n GLN 59 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 2fbl s GLU 60 N 0.00 1.10 0.02 3.69 2.12 -1.26 -2.03 118.70 122.34 2fbl s GLU 60 Ca 0.00 -0.40 0.06 0.00 0.36 0.00 0.00 54.97 54.99 2fbl s GLU 60 Cb 0.00 -1.02 -0.02 0.00 0.26 0.00 0.00 34.13 33.35 2fbl s GLU 60 CO 0.00 0.18 -0.18 0.71 -0.54 0.00 0.00 175.26 175.43 2fbl s TYR 61 N 0.00 1.63 -0.06 5.30 2.02 0.13 -4.97 117.35 121.41 2fbl s TYR 61 Ca -0.01 -0.34 0.01 0.00 -0.37 0.00 0.00 57.07 56.36 2fbl s TYR 61 Cb -0.08 -1.01 0.02 0.00 -0.40 0.00 0.00 41.96 40.50 2fbl s TYR 61 CO 0.00 0.03 -0.05 -2.00 -1.57 0.00 0.00 175.55 171.96 2fbl s GLU 62 N -0.82 0.98 -0.04 -0.62 2.12 -1.26 -0.40 118.70 118.67 2fbl s GLU 62 Ca 0.06 -0.13 0.07 0.00 0.36 0.00 0.00 54.97 55.33 2fbl s GLU 62 Cb -0.08 -1.01 -0.01 0.00 0.26 0.00 0.00 34.13 33.29 2fbl s GLU 62 CO 0.01 -0.11 -0.25 0.96 -0.54 0.00 0.00 175.26 175.33 2fbl s ILE 63 N 1.10 1.98 0.24 -3.70 -4.36 -0.15 -5.00 121.20 111.31 2fbl s ILE 63 Ca -0.08 -1.05 -0.30 0.00 -0.26 0.00 0.00 60.65 58.97 2fbl s ILE 63 Cb -0.14 -1.66 -0.09 0.00 1.25 0.00 0.00 42.46 41.82 2fbl s ILE 63 CO -0.01 0.55 0.95 -1.58 0.24 0.00 0.00 174.94 175.10 2fbl s GLN 64 N -0.34 4.84 0.23 0.37 0.74 -1.26 -0.65 119.66 123.58 2fbl s GLN 64 Ca 0.02 1.52 0.04 0.00 0.05 0.00 0.00 55.36 56.99 2fbl s GLN 64 Cb -0.12 -3.27 -0.05 0.00 1.10 0.00 0.00 33.01 30.68 2fbl s GLN 64 CO 0.02 0.49 -0.02 0.96 -0.55 0.00 0.00 175.29 176.18 2fbl s ILE 65 N -1.18 1.12 0.72 -2.34 -4.36 0.15 -4.92 121.20 110.39 2fbl s ILE 65 Ca 0.41 -2.05 -0.04 0.00 -0.26 0.00 0.00 60.65 58.72 2fbl s ILE 65 Cb -0.26 -2.30 0.11 0.00 1.25 0.00 0.00 42.46 41.25 2fbl s ILE 65 CO 0.33 -0.37 1.00 1.51 0.24 0.00 0.00 174.94 177.65 2fbl s ASP 66 N -3.31 4.45 0.33 4.36 1.47 -1.26 -4.00 116.67 118.70 2fbl s ASP 66 Ca 0.27 -0.06 0.03 0.00 1.18 0.00 0.00 52.55 53.97 2fbl s ASP 66 Cb 0.05 -0.42 0.56 0.00 -0.34 0.00 0.00 42.92 42.77 2fbl s ASP 66 CO 0.08 -1.79 1.89 1.62 0.68 0.00 0.00 175.17 177.64 2fbl h VAL 67 N -0.58 1.20 -0.20 2.11 3.04 -1.96 -0.51 116.25 119.35 2fbl h VAL 67 Ca -0.40 -0.71 -0.07 0.00 -1.01 0.00 0.00 66.70 64.51 2fbl h VAL 67 Cb 1.28 0.77 -0.00 0.00 -2.01 0.00 0.00 31.29 31.33 2fbl h VAL 67 CO 0.46 0.26 -0.16 0.74 -1.01 0.00 0.00 177.57 177.85 2fbl h THR 68 N 0.62 1.32 -0.61 3.17 2.02 -1.98 0.55 112.91 118.00 2fbl h THR 68 Ca 0.14 -1.30 0.04 0.00 0.77 0.00 0.00 66.41 66.06 2fbl h THR 68 Cb 0.25 1.73 -0.04 0.00 -1.74 0.00 0.00 68.15 68.35 2fbl h THR 68 CO -0.00 0.39 0.36 1.56 0.37 0.00 0.00 175.52 178.20 2fbl h GLN 69 N 0.14 0.68 0.00 6.66 4.20 -1.85 -0.77 115.11 124.16 2fbl h GLN 69 Ca 0.04 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2fbl h GLN 69 Cb 0.69 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.32 2fbl h GLN 69 CO 0.04 0.45 -0.00 0.35 -0.67 0.00 0.00 178.83 179.00 2fbl h PHE 70 N 0.70 -0.00 0.00 2.96 3.57 -0.83 -2.30 116.94 121.04 2fbl h PHE 70 Ca 0.26 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.70 2fbl h PHE 70 Cb 0.07 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 2fbl h PHE 70 CO -0.06 0.04 -0.28 0.93 -2.23 0.00 0.00 178.31 176.70 2fbl h GLU 71 N -0.04 0.00 -0.29 1.11 4.39 -0.69 0.32 114.58 119.38 2fbl h GLU 71 Ca -0.00 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.55 2fbl h GLU 71 Cb 0.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2fbl h GLU 71 CO 0.00 0.28 -0.43 0.52 -1.16 0.00 0.00 179.01 178.23 2fbl h MET 72 N 0.00 0.73 0.00 2.33 2.86 -1.02 -3.29 114.93 116.54 2fbl h MET 72 Ca -0.00 -0.39 -0.20 0.00 -2.06 0.00 0.00 59.70 57.05 2fbl h MET 72 Cb 0.87 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.52 2fbl h MET 72 CO 0.04 1.01 -1.29 -0.07 1.06 0.00 0.00 176.91 177.66 2fbl h LEU 73 N 0.59 0.00 -0.97 1.22 3.38 -0.85 -3.40 115.31 115.29 2fbl h LEU 73 Ca 0.04 0.00 0.30 0.00 0.09 0.00 0.00 57.88 58.31 2fbl h LEU 73 Cb 0.98 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.55 2fbl h LEU 73 CO 0.09 0.73 0.20 -0.25 0.09 0.00 0.00 178.44 179.31 2fbl h TRP 74 N 0.00 0.26 0.00 1.13 2.91 -0.44 -0.77 115.95 119.03 2fbl h TRP 74 Ca -0.15 0.06 0.00 0.00 1.13 0.00 0.00 58.89 59.93 2fbl h TRP 74 Cb 1.69 0.04 0.00 0.00 -0.51 0.00 0.00 29.16 30.38 2fbl h TRP 74 CO 0.00 -0.39 0.08 -1.35 -1.03 0.00 0.00 178.44 175.74 2fbl h PRO 75 N 0.05 0.00 -0.02 2.65 0.11 -1.77 0.15 132.00 133.18 2fbl h PRO 75 Ca 0.65 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.76 2fbl h PRO 75 Cb 1.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.57 2fbl h PRO 75 CO -0.83 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 176.96 2fbl n ALA 76 N -2.02 2.63 1.18 -0.75 0.00 -0.30 -2.97 120.51 118.28 2fbl n ALA 76 Ca -0.03 -0.27 0.13 0.00 0.00 0.00 0.00 53.44 53.27 2fbl n ALA 76 Cb 0.14 -1.35 0.29 0.00 0.00 0.00 0.00 19.45 18.53 2fbl n ALA 76 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2fbl n THR 77 N -0.55 0.03 -1.68 0.00 -2.24 0.04 -4.59 114.28 105.28 2fbl n THR 77 Ca 0.20 -0.40 -0.45 0.00 -2.27 0.00 0.00 64.05 61.12 2fbl n THR 77 Cb 0.18 1.03 -0.04 0.00 -2.10 0.00 0.00 70.33 69.40 2fbl n THR 77 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2fbl n GLU 78 N 0.84 2.34 -0.02 -0.78 2.13 -1.16 -0.53 120.64 123.47 2fbl n GLU 78 Ca 0.16 0.85 0.00 0.00 0.66 0.00 0.00 57.16 58.83 2fbl n GLU 78 Cb 0.49 -2.66 0.00 0.00 0.27 0.00 0.00 31.44 29.54 2fbl n GLU 78 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2fbl n GLY 79 N 3.76 0.85 2.57 8.31 0.00 -1.26 -4.90 105.19 114.53 2fbl n GLY 79 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 2fbl n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fbl n ARG 80 N -2.00 2.20 -4.24 1.61 1.74 0.31 -4.60 116.66 111.69 2fbl n ARG 80 Ca 0.00 -3.86 -0.19 0.00 -0.77 0.00 0.00 57.85 53.03 2fbl n ARG 80 Cb 0.00 -1.73 -0.11 0.00 -1.02 0.00 0.00 32.46 29.59 2fbl n ARG 80 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2fbl s ARG 81 N -3.28 1.01 -0.09 5.56 0.52 -1.19 -1.30 118.95 120.18 2fbl s ARG 81 Ca 0.37 -1.20 0.01 0.00 -0.52 0.00 0.00 55.73 54.39 2fbl s ARG 81 Cb 0.42 -0.95 0.02 0.00 0.52 0.00 0.00 34.95 34.97 2fbl s ARG 81 CO -0.07 0.19 -0.09 0.08 0.02 0.00 0.00 175.30 175.43 2fbl s VAL 82 N -1.93 1.02 -0.05 3.52 1.01 -0.24 -4.48 120.40 119.25 2fbl s VAL 82 Ca 0.07 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 61.77 2fbl s VAL 82 Cb -0.06 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 2fbl s VAL 82 CO 0.03 0.35 -0.24 -1.61 0.00 0.00 0.00 175.10 173.64 2fbl s GLU 83 N 1.28 2.33 0.10 2.72 2.02 -1.26 -1.42 118.70 124.47 2fbl s GLU 83 Ca -0.03 -0.85 -0.25 0.00 0.02 0.00 0.00 54.97 53.85 2fbl s GLU 83 Cb -0.14 -2.02 0.08 0.00 0.10 0.00 0.00 34.13 32.15 2fbl s GLU 83 CO -0.03 0.38 0.80 -1.59 0.02 0.00 0.00 175.26 174.84 2fbl s LYS 84 N -0.20 1.13 -0.15 1.61 -2.85 -0.66 -0.55 119.74 118.07 2fbl s LYS 84 Ca -0.01 -0.49 -0.05 0.00 -1.00 0.00 0.00 55.97 54.42 2fbl s LYS 84 Cb -0.13 0.47 -0.03 0.00 -2.06 0.00 0.00 37.83 36.08 2fbl s LYS 84 CO 0.03 -0.50 0.00 0.99 0.10 0.00 0.00 175.35 175.97 2fbl s THR 85 N -3.43 4.27 -0.21 3.79 2.01 -0.18 -0.77 115.64 121.13 2fbl s THR 85 Ca 0.06 -0.23 -0.07 0.00 0.31 0.00 0.00 61.69 61.76 2fbl s THR 85 Cb -0.02 -2.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.59 2fbl s THR 85 CO -0.06 0.51 0.04 -0.60 -0.69 0.00 0.00 174.62 173.82 2fbl s ARG 86 N 0.11 3.77 -0.19 4.92 3.52 -0.37 -0.54 118.95 130.17 2fbl s ARG 86 Ca 0.02 -0.44 -0.04 0.00 -0.13 0.00 0.00 55.73 55.13 2fbl s ARG 86 Cb -0.13 -3.20 -0.02 0.00 -1.56 0.00 0.00 34.95 30.03 2fbl s ARG 86 CO 0.02 0.06 -0.02 0.71 -0.81 0.00 0.00 175.30 175.26 2fbl s TYR 87 N 0.93 3.03 -0.16 5.12 2.02 0.10 -0.85 117.35 127.54 2fbl s TYR 87 Ca 0.03 -0.43 -0.09 0.00 -0.37 0.00 0.00 57.07 56.21 2fbl s TYR 87 Cb -0.14 -2.04 -0.05 0.00 -0.40 0.00 0.00 41.96 39.33 2fbl s TYR 87 CO 0.02 -0.19 0.14 -1.12 -1.57 0.00 0.00 175.55 172.84 2fbl s SER 88 N 0.80 6.29 0.00 2.29 0.01 -0.02 -0.06 113.70 123.02 2fbl s SER 88 Ca -0.00 0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.60 2fbl s SER 88 Cb -0.14 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.00 2fbl s SER 88 CO 0.02 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.55 2fbl n GLY 89 N 2.89 3.51 3.19 3.44 0.00 -0.71 -1.26 105.19 116.25 2fbl n GLY 89 Ca -0.17 -1.18 -0.12 0.00 0.00 0.00 0.00 46.02 44.55 2fbl n GLY 89 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2fbl s LYS 90 N -0.42 0.33 0.78 1.61 2.20 -1.26 -1.54 119.74 121.45 2fbl s LYS 90 Ca 0.00 0.64 -0.11 0.00 -0.36 0.00 0.00 55.97 56.14 2fbl s LYS 90 Cb 0.00 -0.01 0.06 0.00 -1.51 0.00 0.00 37.83 36.37 2fbl s LYS 90 CO 0.00 -0.14 1.08 -0.51 -0.36 0.00 0.00 175.35 175.43 2fbl s LEU 91 N 1.10 2.77 0.35 5.43 1.43 0.04 -4.91 118.68 124.89 2fbl s LEU 91 Ca -0.07 1.50 0.12 0.00 -1.03 0.00 0.00 54.13 54.64 2fbl s LEU 91 Cb -0.08 -4.18 0.91 0.00 0.03 0.00 0.00 46.19 42.88 2fbl s LEU 91 CO -0.09 -1.92 1.79 -0.65 0.23 0.00 0.00 176.35 175.71 2fbl h PRO 92 N -1.05 0.57 0.00 1.29 0.11 -2.02 0.11 132.00 131.01 2fbl h PRO 92 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2fbl h PRO 92 Cb 1.25 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2fbl h PRO 92 CO 0.57 0.38 0.00 -0.25 -0.21 0.00 0.00 178.00 178.48 2fbl n ASP 93 N -4.68 0.00 0.00 -2.05 8.00 -1.26 -4.91 116.55 111.64 2fbl n ASP 93 Ca 0.23 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.61 2fbl n ASP 93 Cb 0.68 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 2fbl n ASP 93 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2fbl n GLY 94 N 0.52 0.67 3.74 0.44 0.00 0.39 -5.07 105.19 105.87 2fbl n GLY 94 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2fbl n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2fbl s GLN 95 N -0.69 4.38 0.29 1.61 1.11 -1.26 -4.72 119.66 120.39 2fbl s GLN 95 Ca 0.00 2.09 -0.28 0.00 0.01 0.00 0.00 55.36 57.18 2fbl s GLN 95 Cb 0.00 -3.18 -0.09 0.00 -1.01 0.00 0.00 33.01 28.73 2fbl s GLN 95 CO 0.00 -0.26 0.99 -0.51 0.01 0.00 0.00 175.29 175.52 2fbl s LEU 96 N -0.23 4.47 0.10 2.90 1.43 -1.26 -0.78 118.68 125.32 2fbl s LEU 96 Ca 0.57 2.01 0.04 0.00 -1.03 0.00 0.00 54.13 55.71 2fbl s LEU 96 Cb -0.37 -3.80 -0.04 0.00 0.03 0.00 0.00 46.19 42.01 2fbl s LEU 96 CO 0.39 -0.06 -0.11 0.72 0.23 0.00 0.00 176.35 177.52 2fbl s PHE 97 N -1.36 1.16 -0.08 0.29 -0.12 -0.59 -2.75 117.98 114.53 2fbl s PHE 97 Ca 0.47 -0.61 0.04 0.00 -0.05 0.00 0.00 56.93 56.77 2fbl s PHE 97 Cb -0.25 -0.63 -0.01 0.00 -0.63 0.00 0.00 43.02 41.50 2fbl s PHE 97 CO 0.31 0.04 -0.21 -1.21 -0.05 0.00 0.00 175.22 174.11 2fbl s GLU 98 N -2.66 2.87 -0.17 1.99 2.02 -0.56 -1.73 118.70 120.46 2fbl s GLU 98 Ca 0.06 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.23 2fbl s GLU 98 Cb -0.04 -2.34 0.03 0.00 0.10 0.00 0.00 34.13 31.89 2fbl s GLU 98 CO 0.01 0.32 -0.11 -1.17 0.02 0.00 0.00 175.26 174.33 2fbl s LEU 99 N 0.01 1.91 -0.20 1.80 0.20 0.92 -0.30 118.68 123.01 2fbl s LEU 99 Ca -0.07 -0.67 -0.10 0.00 0.69 0.00 0.00 54.13 53.98 2fbl s LEU 99 Cb -0.15 -1.15 -0.05 0.00 -0.43 0.00 0.00 46.19 44.41 2fbl s LEU 99 CO 0.05 -0.11 0.14 -1.81 -0.29 0.00 0.00 176.35 174.32 2fbl s ASP 100 N 1.48 6.22 -0.35 3.68 1.01 0.62 0.02 116.67 129.36 2fbl s ASP 100 Ca 0.02 0.24 -0.05 0.00 0.71 0.00 0.00 52.55 53.47 2fbl s ASP 100 Cb -0.15 -2.09 0.05 0.00 1.01 0.00 0.00 42.92 41.74 2fbl s ASP 100 CO -0.09 0.18 0.11 -0.69 0.21 0.00 0.00 175.17 174.89 2fbl s VAL 101 N 0.34 3.62 0.35 -1.27 1.01 0.30 -1.33 120.40 123.42 2fbl s VAL 101 Ca 0.08 -1.30 -0.23 0.00 0.00 0.00 0.00 61.98 60.53 2fbl s VAL 101 Cb -0.11 -3.11 -0.10 0.00 0.00 0.00 0.00 36.38 33.06 2fbl s VAL 101 CO -0.02 -0.25 0.92 -0.36 0.00 0.00 0.00 175.10 175.40 2fbl s PHE 102 N 1.35 3.54 0.51 5.22 0.08 -1.06 -1.01 117.98 126.61 2fbl s PHE 102 Ca -0.01 1.67 0.07 0.00 0.12 0.00 0.00 56.93 58.78 2fbl s PHE 102 Cb -0.20 -2.86 0.03 0.00 -0.57 0.00 0.00 43.02 39.42 2fbl s PHE 102 CO 0.01 0.10 0.44 0.00 -0.10 0.00 0.00 175.22 175.67 2fbl s ALA 103 N -1.83 4.35 0.00 5.36 0.00 0.29 -3.92 121.76 126.01 2fbl s ALA 103 Ca 0.54 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.95 2fbl s ALA 103 Cb -0.15 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.10 2fbl s ALA 103 CO 0.19 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.92 2fbl n GLY 104 N -1.76 2.52 0.08 0.00 0.00 -1.26 -2.94 105.19 101.83 2fbl n GLY 104 Ca 0.02 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.77 2fbl n GLY 104 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2fbl n HIS 105 N 12.24 0.55 0.47 1.61 1.44 -1.26 -1.63 115.22 128.64 2fbl n HIS 105 Ca 0.00 0.20 0.13 0.00 -2.01 0.00 0.00 57.72 56.04 2fbl n HIS 105 Cb 0.00 -0.83 0.32 0.00 0.12 0.00 0.00 29.99 29.60 2fbl n HIS 105 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 2fbl h LEU 106 N 0.00 0.00 -9.78 2.39 3.38 -1.87 -3.45 115.31 105.99 2fbl h LEU 106 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 2fbl h LEU 106 Cb 0.39 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.27 2fbl h LEU 106 CO 0.00 0.00 0.33 -0.24 0.09 0.00 0.00 178.44 178.62 2fbl n SER 107 N -2.58 1.87 -1.20 -0.43 2.88 -0.65 -0.74 113.62 112.77 2fbl n SER 107 Ca 0.05 1.03 0.02 0.00 -1.33 0.00 0.00 58.87 58.64 2fbl n SER 107 Cb 0.47 -1.44 0.18 0.00 -0.75 0.00 0.00 64.21 62.67 2fbl n SER 107 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2fbl n PRO 108 N -0.14 2.70 -1.65 -1.46 -0.04 -1.26 -5.03 135.00 128.12 2fbl n PRO 108 Ca 0.09 -1.47 -0.44 0.00 -0.04 0.00 0.00 63.50 61.64 2fbl n PRO 108 Cb 0.41 -1.83 -0.02 0.00 -0.04 0.00 0.00 33.50 32.02 2fbl n PRO 108 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2fbl n LEU 109 N 0.23 2.75 -3.86 1.53 7.94 0.08 -4.89 117.00 120.78 2fbl n LEU 109 Ca 0.15 1.18 -0.13 0.00 -1.11 0.00 0.00 56.01 56.10 2fbl n LEU 109 Cb 0.73 -1.39 -0.14 0.00 0.53 0.00 0.00 43.42 43.15 2fbl n LEU 109 CO 0.17 -0.84 -0.36 -0.04 -1.11 0.00 0.00 177.39 175.20 2fbl s MET 110 N -1.38 0.05 0.06 1.96 -1.94 -1.26 -2.57 119.30 114.22 2fbl s MET 110 Ca 0.60 0.01 0.06 0.00 -1.71 0.00 0.00 55.69 54.66 2fbl s MET 110 Cb -0.65 -0.10 -0.03 0.00 2.01 0.00 0.00 34.83 36.07 2fbl s MET 110 CO 0.58 -0.02 -0.18 -0.51 -0.01 0.00 0.00 175.02 174.89 2fbl s LEU 111 N 0.19 2.21 -0.09 -0.03 1.43 -0.44 -2.64 118.68 119.30 2fbl s LEU 111 Ca -0.02 -0.54 0.03 0.00 -1.03 0.00 0.00 54.13 52.57 2fbl s LEU 111 Cb -0.03 -0.78 0.01 0.00 0.03 0.00 0.00 46.19 45.43 2fbl s LEU 111 CO -0.01 0.07 -0.17 0.54 0.23 0.00 0.00 176.35 177.02 2fbl s VAL 112 N -0.94 1.53 -0.10 -1.59 0.11 0.80 -0.27 120.40 119.93 2fbl s VAL 112 Ca 0.04 -0.69 0.01 0.00 -2.93 0.00 0.00 61.98 58.41 2fbl s VAL 112 Cb -0.09 -1.37 -0.02 0.00 -1.53 0.00 0.00 36.38 33.37 2fbl s VAL 112 CO 0.02 0.44 -0.14 -0.70 -3.33 0.00 0.00 175.10 171.40 2fbl s GLU 113 N 0.68 3.05 -0.05 1.54 2.12 0.58 -0.50 118.70 126.13 2fbl s GLU 113 Ca -0.13 -0.69 0.05 0.00 0.36 0.00 0.00 54.97 54.56 2fbl s GLU 113 Cb -0.16 -2.53 -0.02 0.00 0.26 0.00 0.00 34.13 31.68 2fbl s GLU 113 CO 0.03 0.37 -0.20 0.14 -0.54 0.00 0.00 175.26 175.06 2fbl s VAL 114 N -0.06 2.58 -0.06 3.70 -7.23 0.50 -1.50 120.40 118.34 2fbl s VAL 114 Ca -0.03 -0.90 -0.01 0.00 -1.81 0.00 0.00 61.98 59.24 2fbl s VAL 114 Cb -0.14 -1.97 -0.03 0.00 0.56 0.00 0.00 36.38 34.79 2fbl s VAL 114 CO 0.04 0.58 0.00 -1.83 -0.31 0.00 0.00 175.10 173.58 2fbl s GLU 115 N -0.53 2.93 0.08 4.82 -1.05 -1.11 -2.22 118.70 121.62 2fbl s GLU 115 Ca 0.07 -0.46 0.08 0.00 -0.15 0.00 0.00 54.97 54.51 2fbl s GLU 115 Cb -0.11 -2.76 -0.03 0.00 -0.44 0.00 0.00 34.13 30.79 2fbl s GLU 115 CO 0.01 0.68 -0.21 -0.06 0.95 0.00 0.00 175.26 176.63 2fbl s PHE 116 N -0.94 1.80 0.01 4.83 0.40 0.10 -4.39 117.98 119.79 2fbl s PHE 116 Ca 0.15 -0.40 -0.00 0.00 -0.60 0.00 0.00 56.93 56.08 2fbl s PHE 116 Cb -0.11 -1.02 -0.26 0.00 0.51 0.00 0.00 43.02 42.13 2fbl s PHE 116 CO 0.04 0.16 0.88 -0.07 0.70 0.00 0.00 175.22 176.94 2fbl h LEU 117 N 4.39 0.30 -8.60 -0.37 3.38 -1.97 -3.38 115.31 109.06 2fbl h LEU 117 Ca -0.45 -0.42 -0.69 0.00 0.09 0.00 0.00 57.88 56.41 2fbl h LEU 117 Cb 1.17 -0.10 -0.29 0.00 0.09 0.00 0.00 40.66 41.53 2fbl h LEU 117 CO 0.41 1.35 -0.85 -0.94 0.09 0.00 0.00 178.44 178.50 2fbl s SER 118 N -6.85 3.33 0.00 -0.43 1.04 -1.26 -5.01 113.70 104.51 2fbl s SER 118 Ca -0.08 -0.43 -0.04 0.00 0.48 0.00 0.00 55.95 55.88 2fbl s SER 118 Cb 0.07 -0.82 -0.20 0.00 0.10 0.00 0.00 66.02 65.17 2fbl s SER 118 CO 0.84 0.27 3.05 1.21 0.98 0.00 0.00 173.24 179.60 2fbl n GLU 119 N 2.79 1.64 0.00 4.02 2.13 -1.26 -1.03 120.64 128.94 2fbl n GLU 119 Ca -0.17 -0.74 0.00 0.00 0.66 0.00 0.00 57.16 56.91 2fbl n GLU 119 Cb 0.52 -1.79 0.00 0.00 0.27 0.00 0.00 31.44 30.44 2fbl n GLU 119 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 2fbl n ASP 120 N 2.37 0.00 0.01 4.31 5.68 -1.26 -4.64 116.55 123.03 2fbl n ASP 120 Ca 0.32 0.00 -0.03 0.00 -0.50 0.00 0.00 54.79 54.58 2fbl n ASP 120 Cb 0.76 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.97 2fbl n ASP 120 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2fbl h ALA 121 N 0.00 1.16 -0.43 2.12 0.00 -1.49 -0.60 119.26 120.02 2fbl h ALA 121 Ca 0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 2fbl h ALA 121 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2fbl h ALA 121 CO 0.00 0.53 0.09 0.00 0.00 0.00 0.00 179.25 179.87 2fbl h ALA 122 N 1.35 0.57 0.00 0.00 0.00 -1.73 -0.32 119.26 119.14 2fbl h ALA 122 Ca 0.07 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 2fbl h ALA 122 Cb 0.59 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2fbl h ALA 122 CO 0.04 0.27 -0.61 0.37 0.00 0.00 0.00 179.25 179.32 2fbl h GLN 123 N 0.57 0.00 0.00 0.00 4.15 -1.81 -3.09 115.11 114.92 2fbl h GLN 123 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.55 2fbl h GLN 123 Cb 0.34 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.03 2fbl h GLN 123 CO 0.00 0.61 -0.12 0.00 -1.93 0.00 0.00 178.83 177.39 2fbl n ALA 124 N -2.29 2.50 -1.64 3.38 0.00 -0.24 -4.92 120.51 117.30 2fbl n ALA 124 Ca 0.01 -0.11 -0.52 0.00 0.00 0.00 0.00 53.44 52.81 2fbl n ALA 124 Cb 0.72 -1.40 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 2fbl n ALA 124 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2fbl n PHE 125 N -1.88 1.83 -3.59 0.00 7.35 -0.14 -4.96 117.46 116.07 2fbl n PHE 125 Ca 0.06 0.50 -0.40 0.00 -0.76 0.00 0.00 57.45 56.85 2fbl n PHE 125 Cb 0.39 -2.42 -0.11 0.00 0.35 0.00 0.00 39.48 37.68 2fbl n PHE 125 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 2fbl s ILE 126 N 1.59 4.62 0.38 -2.13 -1.09 -1.26 -5.07 121.20 118.23 2fbl s ILE 126 Ca 0.88 -0.81 -0.27 0.00 -2.23 0.00 0.00 60.65 58.21 2fbl s ILE 126 Cb -0.92 -3.56 -0.11 0.00 -1.58 0.00 0.00 42.46 36.29 2fbl s ILE 126 CO 0.50 -0.22 1.39 -2.65 -1.23 0.00 0.00 174.94 172.74 2fbl n PRO 127 N 5.01 2.37 -1.27 2.79 -0.02 -1.26 -4.97 135.00 137.64 2fbl n PRO 127 Ca -0.12 0.83 -0.30 0.00 -2.02 0.00 0.00 63.50 61.89 2fbl n PRO 127 Cb 0.46 -2.52 0.12 0.00 -0.02 0.00 0.00 33.50 31.54 2fbl n PRO 127 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2fbl s PRO 128 N -2.08 1.65 0.52 0.52 0.04 -1.26 -4.92 135.00 129.46 2fbl s PRO 128 Ca 0.56 0.89 0.17 0.00 0.04 0.00 0.00 61.00 62.66 2fbl s PRO 128 Cb -0.51 -1.85 1.27 0.00 0.04 0.00 0.00 34.50 33.45 2fbl s PRO 128 CO 0.62 -1.99 2.12 -1.35 0.04 0.00 0.00 177.00 176.44 2fbl h PRO 129 N -1.37 0.03 0.00 0.56 0.11 -2.02 -1.95 132.00 127.37 2fbl h PRO 129 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2fbl h PRO 129 Cb 1.27 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2fbl h PRO 129 CO 0.54 0.02 0.00 -2.67 -0.21 0.00 0.00 178.00 175.68 2fbl n TRP 130 N -4.51 0.73 -2.45 0.65 4.27 -1.26 -4.72 117.44 110.14 2fbl n TRP 130 Ca -0.01 0.29 -0.37 0.00 -3.89 0.00 0.00 57.50 53.53 2fbl n TRP 130 Cb 0.17 -0.97 -0.03 0.00 -1.36 0.00 0.00 31.31 29.11 2fbl n TRP 130 CO 0.00 0.00 0.00 -0.06 -2.29 0.00 0.00 177.69 175.34 2fbl s PHE 131 N -3.31 3.15 0.00 -2.67 0.40 -0.73 0.04 117.98 114.86 2fbl s PHE 131 Ca 0.04 1.61 0.00 0.00 -0.60 0.00 0.00 56.93 57.98 2fbl s PHE 131 Cb 0.09 -3.21 0.00 0.00 0.51 0.00 0.00 43.02 40.41 2fbl s PHE 131 CO 0.36 -0.90 0.00 0.41 0.70 0.00 0.00 175.22 175.79 2fbl n GLY 132 N 0.38 1.49 3.76 4.36 0.00 0.83 -4.31 105.19 111.69 2fbl n GLY 132 Ca 0.06 -1.94 -0.39 0.00 0.00 0.00 0.00 46.02 43.75 2fbl n GLY 132 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2fbl s GLU 133 N 2.61 3.38 0.30 1.61 2.56 -1.26 -4.42 118.70 123.47 2fbl s GLU 133 Ca 0.00 2.21 -0.28 0.00 0.00 0.00 0.00 54.97 56.90 2fbl s GLU 133 Cb 0.00 -2.39 -0.09 0.00 2.00 0.00 0.00 34.13 33.65 2fbl s GLU 133 CO 0.00 -1.00 1.05 -2.00 -0.56 0.00 0.00 175.26 172.75 2fbl s GLU 134 N -2.75 4.60 -0.03 4.30 2.12 -1.26 -0.85 118.70 124.83 2fbl s GLU 134 Ca 0.68 1.66 0.05 0.00 0.36 0.00 0.00 54.97 57.71 2fbl s GLU 134 Cb -0.40 -3.07 0.07 0.00 0.26 0.00 0.00 34.13 30.99 2fbl s GLU 134 CO 0.48 0.21 0.91 1.33 -0.54 0.00 0.00 175.26 177.65 2fbl n VAL 135 N 0.99 0.75 -0.27 3.70 0.24 0.10 -4.87 118.33 118.97 2fbl n VAL 135 Ca -0.00 -0.84 0.08 0.00 -2.04 0.00 0.00 64.34 61.54 2fbl n VAL 135 Cb 0.46 0.45 0.22 0.00 -1.47 0.00 0.00 33.84 33.50 2fbl n VAL 135 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2fbl h THR 136 N 2.21 0.40 -0.00 3.34 2.02 -1.86 -0.93 112.91 118.09 2fbl h THR 136 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.11 2fbl h THR 136 Cb 0.93 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2fbl h THR 136 CO 0.00 0.04 -0.19 -0.62 0.37 0.00 0.00 175.52 175.12 2fbl n GLU 137 N -5.23 0.46 -2.91 6.66 4.71 -1.26 -4.87 120.64 118.21 2fbl n GLU 137 Ca 0.17 -0.18 -0.41 0.00 -0.01 0.00 0.00 57.16 56.72 2fbl n GLU 137 Cb 0.55 -1.50 -0.04 0.00 -1.01 0.00 0.00 31.44 29.44 2fbl n GLU 137 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2fbl s ASP 138 N -2.66 6.89 0.41 1.62 -1.08 -0.36 -4.88 116.67 116.61 2fbl s ASP 138 Ca 0.23 1.10 0.16 0.00 -0.52 0.00 0.00 52.55 53.51 2fbl s ASP 138 Cb 0.19 -2.44 0.89 0.00 -1.46 0.00 0.00 42.92 40.11 2fbl s ASP 138 CO 0.53 -0.43 1.90 0.07 0.52 0.00 0.00 175.17 177.75 2fbl h LYS 139 N 7.47 0.00 0.00 4.34 2.10 -1.89 -2.82 116.57 125.77 2fbl h LYS 139 Ca -0.27 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.38 2fbl h LYS 139 Cb 1.12 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.45 2fbl h LYS 139 CO 0.85 0.29 -0.00 0.00 -2.00 0.00 0.00 179.45 178.58 2fbl h ARG 140 N 0.00 0.00 -0.14 0.07 3.08 -1.94 -3.00 114.38 112.45 2fbl h ARG 140 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2fbl h ARG 140 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2fbl h ARG 140 CO 0.04 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.60 2fbl n TYR 141 N -3.11 0.17 -2.16 3.04 4.01 -1.06 -4.05 117.16 113.99 2fbl n TYR 141 Ca -0.02 -0.10 -0.36 0.00 -0.16 0.00 0.00 57.90 57.26 2fbl n TYR 141 Cb 0.16 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.20 2fbl n TYR 141 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2fbl s LYS 142 N -1.51 3.29 0.24 -0.72 -0.14 -1.13 -4.83 119.74 114.94 2fbl s LYS 142 Ca 0.27 1.73 -0.06 0.00 -1.36 0.00 0.00 55.97 56.54 2fbl s LYS 142 Cb 0.17 -2.05 0.44 0.00 -1.68 0.00 0.00 37.83 34.71 2fbl s LYS 142 CO 0.25 -0.93 1.65 -0.97 -0.76 0.00 0.00 175.35 174.59 2fbl h ASN 143 N 1.24 -0.23 -0.19 2.83 -1.24 -1.91 -0.79 115.58 115.29 2fbl h ASN 143 Ca -0.50 0.18 -0.19 0.00 0.71 0.00 0.00 56.30 56.50 2fbl h ASN 143 Cb 1.27 0.30 0.00 0.00 0.73 0.00 0.00 38.32 40.62 2fbl h ASN 143 CO 0.57 -0.14 -0.59 0.50 -1.29 0.00 0.00 177.43 176.48 2fbl h LYS 144 N 0.15 0.80 -0.50 6.67 3.64 -1.95 -0.30 116.57 125.08 2fbl h LYS 144 Ca 0.41 -0.53 0.08 0.00 -1.27 0.00 0.00 60.65 59.33 2fbl h LYS 144 Cb 0.72 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.55 2fbl h LYS 144 CO -0.61 1.16 0.13 0.00 -2.27 0.00 0.00 179.45 177.86 2fbl h ALA 145 N 0.72 0.58 -0.41 5.00 0.00 -1.76 0.12 119.26 123.51 2fbl h ALA 145 Ca 0.00 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2fbl h ALA 145 Cb 1.20 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 2fbl h ALA 145 CO 0.13 -0.27 0.09 -0.07 0.00 0.00 0.00 179.25 179.13 2fbl h LEU 146 N 0.28 0.63 -0.97 0.00 3.38 -0.78 -1.37 115.31 116.49 2fbl h LEU 146 Ca 0.25 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2fbl h LEU 146 Cb 0.30 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2fbl h LEU 146 CO -0.29 0.70 0.32 0.00 0.09 0.00 0.00 178.44 179.26 2fbl h ALA 147 N 0.95 1.19 0.00 1.53 0.00 -0.56 -2.88 119.26 119.49 2fbl h ALA 147 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2fbl h ALA 147 Cb 0.32 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2fbl h ALA 147 CO 0.00 0.60 -0.13 1.28 0.00 0.00 0.00 179.25 181.01 2fbl n LEU 148 N -4.31 0.49 -4.74 0.00 4.77 0.37 -3.14 117.00 110.45 2fbl n LEU 148 Ca 0.07 0.45 -0.31 0.00 -0.03 0.00 0.00 56.01 56.19 2fbl n LEU 148 Cb 0.16 -0.36 0.11 0.00 -2.33 0.00 0.00 43.42 41.00 2fbl n LEU 148 CO 0.39 -0.07 0.69 -0.94 -1.33 0.00 0.00 177.39 176.13 2fbl s SER 149 N -3.83 4.09 0.01 -1.43 1.04 -0.54 -4.96 113.70 108.08 2fbl s SER 149 Ca 0.11 1.89 0.06 0.00 0.48 0.00 0.00 55.95 58.50 2fbl s SER 149 Cb 0.15 -2.52 -0.02 0.00 0.10 0.00 0.00 66.02 63.74 2fbl s SER 149 CO 0.60 -2.31 -0.19 -0.63 0.98 0.00 0.00 173.24 171.69 2fbl s ILE 150 N -2.85 1.53 -1.63 -1.02 1.01 -1.26 -4.88 121.20 112.10 2fbl s ILE 150 Ca 0.62 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 60.32 2fbl s ILE 150 Cb -0.18 -1.30 0.00 0.00 0.01 0.00 0.00 42.46 40.99 2fbl s ILE 150 CO 0.57 0.33 0.41 -2.65 0.00 0.00 0.00 174.94 173.59