#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fbl n GLU 3 N 0.00 1.43 -4.34 -2.82 0.00 -1.26 -4.99 120.64 108.66 2fbl n GLU 3 Ca 0.00 0.53 -0.34 0.00 0.00 0.00 0.00 57.16 57.35 2fbl n GLU 3 Cb 0.00 -2.36 -0.13 0.00 0.00 0.00 0.00 31.44 28.95 2fbl n GLU 3 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.13 175.63 2fbl s ILE 4 N -1.34 3.74 -0.08 3.84 1.10 -1.26 -5.05 121.20 122.16 2fbl s ILE 4 Ca 0.71 -0.40 -0.17 0.00 -0.51 0.00 0.00 60.65 60.28 2fbl s ILE 4 Cb -0.45 -2.65 0.04 0.00 0.15 0.00 0.00 42.46 39.55 2fbl s ILE 4 CO 0.50 0.48 0.40 -1.83 -2.11 0.00 0.00 174.94 172.38 2fbl s GLU 5 N 0.60 0.64 0.09 3.50 -1.05 -1.26 0.33 118.70 121.55 2fbl s GLU 5 Ca -0.03 0.17 0.08 0.00 -0.15 0.00 0.00 54.97 55.04 2fbl s GLU 5 Cb -0.14 0.30 -0.03 0.00 -0.44 0.00 0.00 34.13 33.81 2fbl s GLU 5 CO 0.03 -0.15 -0.20 1.03 0.95 0.00 0.00 175.26 176.92 2fbl s ARG 6 N -0.69 1.13 0.00 -4.83 0.52 -0.55 -4.96 118.95 109.57 2fbl s ARG 6 Ca -0.08 -1.08 0.05 0.00 -0.52 0.00 0.00 55.73 54.10 2fbl s ARG 6 Cb -0.04 -1.33 -0.02 0.00 0.52 0.00 0.00 34.95 34.09 2fbl s ARG 6 CO 0.03 0.31 -0.16 0.21 0.02 0.00 0.00 175.30 175.72 2fbl s LYS 7 N -1.73 1.26 0.08 3.54 2.20 -1.26 -0.76 119.74 123.07 2fbl s LYS 7 Ca 0.05 -0.65 0.03 0.00 -0.36 0.00 0.00 55.97 55.05 2fbl s LYS 7 Cb -0.10 -1.24 -0.03 0.00 -1.51 0.00 0.00 37.83 34.94 2fbl s LYS 7 CO 0.03 0.33 -0.09 -0.06 -0.36 0.00 0.00 175.35 175.21 2fbl s PHE 8 N -0.50 0.93 1.07 4.03 0.08 0.35 -0.17 117.98 123.77 2fbl s PHE 8 Ca 0.06 -0.65 -0.12 0.00 0.12 0.00 0.00 56.93 56.34 2fbl s PHE 8 Cb -0.07 -0.52 0.23 0.00 -0.57 0.00 0.00 43.02 42.09 2fbl s PHE 8 CO -0.00 -0.05 1.07 -0.51 -0.10 0.00 0.00 175.22 175.63 2fbl s LEU 9 N -2.29 1.62 -0.15 -0.37 1.43 0.02 -0.11 118.68 118.83 2fbl s LEU 9 Ca 0.02 1.83 0.01 0.00 -1.03 0.00 0.00 54.13 54.96 2fbl s LEU 9 Cb -0.04 -3.91 0.00 0.00 0.03 0.00 0.00 46.19 42.28 2fbl s LEU 9 CO -0.01 -3.84 -0.18 -0.69 0.23 0.00 0.00 176.35 171.87 2fbl s VAL 10 N -2.51 2.44 -0.10 -1.59 1.01 -1.07 0.17 120.40 118.74 2fbl s VAL 10 Ca 0.68 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.70 2fbl s VAL 10 Cb -0.24 -2.01 -0.27 0.00 0.00 0.00 0.00 36.38 33.85 2fbl s VAL 10 CO 0.62 0.53 0.49 0.00 0.00 0.00 0.00 175.10 176.74 2fbl h ALA 11 N 7.34 0.28 -3.49 5.51 0.00 -0.78 -3.44 119.26 124.68 2fbl h ALA 11 Ca -0.33 -1.24 -0.36 0.00 0.00 0.00 0.00 54.91 52.98 2fbl h ALA 11 Cb 1.19 0.59 -0.34 0.00 0.00 0.00 0.00 17.79 19.23 2fbl h ALA 11 CO 0.57 1.09 -0.75 0.99 0.00 0.00 0.00 179.25 181.14 2fbl s THR 12 N -2.54 0.26 0.23 0.00 2.01 -0.76 -5.03 115.64 109.80 2fbl s THR 12 Ca -0.20 0.03 -0.32 0.00 0.31 0.00 0.00 61.69 61.52 2fbl s THR 12 Cb 0.06 -0.34 -0.12 0.00 0.01 0.00 0.00 72.50 72.11 2fbl s THR 12 CO 0.78 0.16 1.68 0.33 -0.69 0.00 0.00 174.62 176.88 2fbl n PHE 13 N 4.10 2.73 -1.67 4.92 7.35 -1.26 -4.77 117.46 128.86 2fbl n PHE 13 Ca -0.26 0.12 -0.31 0.00 -0.76 0.00 0.00 57.45 56.24 2fbl n PHE 13 Cb 0.50 -2.64 0.05 0.00 0.35 0.00 0.00 39.48 37.74 2fbl n PHE 13 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2fbl s PRO 14 N 0.70 2.91 0.18 -7.13 0.04 -1.26 -5.09 135.00 125.36 2fbl s PRO 14 Ca 0.72 0.79 0.01 0.00 0.04 0.00 0.00 61.00 62.56 2fbl s PRO 14 Cb -0.52 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.06 2fbl s PRO 14 CO 0.37 -1.08 0.25 -0.40 0.04 0.00 0.00 177.00 176.19 2fbl n ASP 15 N -3.09 0.42 0.00 6.66 5.68 -1.26 -5.04 116.55 119.92 2fbl n ASP 15 Ca 0.07 -1.33 0.00 0.00 -0.50 0.00 0.00 54.79 53.03 2fbl n ASP 15 Cb 0.55 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 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 2.99 -3.50 3.65 6.12 0.00 -1.26 -4.91 105.19 108.28 2fbl n GLY 16 Ca 0.04 -2.14 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.87 4.19 -0.05 1.61 2.12 -1.26 -5.02 118.70 119.43 2fbl s GLU 17 Ca 0.00 1.36 0.04 0.00 0.36 0.00 0.00 54.97 56.74 2fbl s GLU 17 Cb 0.00 -3.70 -0.00 0.00 0.26 0.00 0.00 34.13 30.68 2fbl s GLU 17 CO 0.00 -0.74 -0.18 -0.51 -0.54 0.00 0.00 175.26 173.30 2fbl s LEU 18 N 3.44 1.93 -0.19 2.70 1.43 -1.26 -4.51 118.68 122.21 2fbl s LEU 18 Ca 0.48 -0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 53.15 2fbl s LEU 18 Cb -0.16 -1.01 -0.03 0.00 0.03 0.00 0.00 46.19 45.02 2fbl s LEU 18 CO 0.11 0.16 0.03 -2.28 0.23 0.00 0.00 176.35 174.59 2fbl s HIS 19 N 0.03 3.11 -0.15 0.29 5.65 -0.35 -4.90 115.29 118.98 2fbl s HIS 19 Ca -0.04 -0.24 -0.07 0.00 0.25 0.00 0.00 55.06 54.96 2fbl s HIS 19 Cb -0.12 -2.09 -0.04 0.00 -1.18 0.00 0.00 32.58 29.16 2fbl s HIS 19 CO 0.02 -0.09 0.09 0.00 -0.65 0.00 0.00 174.74 174.11 2fbl s ALA 20 N 0.78 3.61 -0.08 1.58 0.00 -1.26 -0.78 121.76 125.61 2fbl s ALA 20 Ca 0.02 -0.71 -0.01 0.00 0.00 0.00 0.00 51.96 51.26 2fbl s ALA 20 Cb -0.14 -1.91 0.03 0.00 0.00 0.00 0.00 23.12 21.10 2fbl s ALA 20 CO 0.02 0.40 -0.02 0.08 0.00 0.00 0.00 175.76 176.24 2fbl s VAL 21 N -0.34 0.57 0.27 0.00 1.01 0.03 -4.98 120.40 116.96 2fbl s VAL 21 Ca 0.10 -0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 2fbl s VAL 21 Cb -0.12 -0.69 -0.09 0.00 0.00 0.00 0.00 36.38 35.48 2fbl s VAL 21 CO 0.01 0.29 0.98 -2.16 0.00 0.00 0.00 175.10 174.23 2fbl s PRO 22 N 1.89 4.72 -0.00 2.72 0.04 -1.26 -1.13 135.00 141.98 2fbl s PRO 22 Ca 0.05 1.53 0.02 0.00 0.04 0.00 0.00 61.00 62.64 2fbl s PRO 22 Cb -0.12 -3.12 -0.01 0.00 0.04 0.00 0.00 34.50 31.29 2fbl s PRO 22 CO -0.06 0.37 -0.07 -0.51 0.04 0.00 0.00 177.00 176.77 2fbl s LEU 23 N -1.50 2.03 -0.04 -3.56 1.43 -0.04 -2.37 118.68 114.63 2fbl s LEU 23 Ca 0.45 -0.14 -0.00 0.00 -1.03 0.00 0.00 54.13 53.40 2fbl s LEU 23 Cb -0.26 -0.33 0.03 0.00 0.03 0.00 0.00 46.19 45.66 2fbl s LEU 23 CO 0.32 0.07 0.01 -0.13 0.23 0.00 0.00 176.35 176.85 2fbl s ARG 24 N -0.23 0.25 0.08 1.70 0.52 -1.01 -1.61 118.95 118.64 2fbl s ARG 24 Ca 0.02 0.14 0.00 0.00 -0.52 0.00 0.00 55.73 55.37 2fbl s ARG 24 Cb -0.03 -0.54 -0.04 0.00 0.52 0.00 0.00 34.95 34.86 2fbl s ARG 24 CO -0.00 -0.20 -0.04 1.14 0.02 0.00 0.00 175.30 176.22 2fbl s GLN 25 N 1.38 0.72 -0.18 3.54 1.03 -0.65 0.49 119.66 126.00 2fbl s GLN 25 Ca -0.05 -1.28 -0.31 0.00 0.04 0.00 0.00 55.36 53.76 2fbl s GLN 25 Cb -0.13 0.05 0.14 0.00 0.03 0.00 0.00 33.01 33.10 2fbl s GLN 25 CO -0.03 -0.08 1.12 0.20 -2.54 0.00 0.00 175.29 173.96 2fbl s GLY 26 N -2.98 -0.22 -0.21 2.60 0.00 -0.26 -1.95 107.32 104.29 2fbl s GLY 26 Ca 0.10 1.97 -0.08 0.00 0.00 0.00 0.00 44.72 46.71 2fbl s GLY 26 CO -0.07 0.83 0.09 -0.19 0.00 0.00 0.00 173.10 173.77 2fbl s TYR 27 N -1.67 3.23 0.09 1.90 2.02 -0.36 -0.35 117.35 122.20 2fbl s TYR 27 Ca 0.04 0.01 0.12 0.00 -0.37 0.00 0.00 57.07 56.88 2fbl s TYR 27 Cb -0.01 -2.17 0.14 0.00 -0.40 0.00 0.00 41.96 39.52 2fbl s TYR 27 CO -0.03 0.01 1.47 -0.07 -1.57 0.00 0.00 175.55 175.36 2fbl h LEU 28 N 7.28 0.00-10.36 -1.29 3.38 -0.91 -3.41 115.31 110.01 2fbl h LEU 28 Ca -0.37 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.16 2fbl h LEU 28 Cb 1.17 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.94 2fbl h LEU 28 CO 0.66 0.68 -0.26 0.42 0.09 0.00 0.00 178.44 180.03 2fbl s THR 29 N -3.11 3.79 0.03 0.22 -4.23 -1.23 -4.94 115.64 106.16 2fbl s THR 29 Ca 0.01 -0.88 0.03 0.00 -1.18 0.00 0.00 61.69 59.67 2fbl s THR 29 Cb 0.10 -3.33 -0.04 0.00 1.34 0.00 0.00 72.50 70.57 2fbl s THR 29 CO 0.76 -0.15 -0.01 -0.89 -0.54 0.00 0.00 174.62 173.79 2fbl s THR 30 N -2.32 4.02 0.64 3.99 2.01 -1.26 -4.91 115.64 117.81 2fbl s THR 30 Ca 0.48 -0.76 0.29 0.00 0.31 0.00 0.00 61.69 62.01 2fbl s THR 30 Cb -0.10 -2.83 0.32 0.00 0.01 0.00 0.00 72.50 69.91 2fbl s THR 30 CO 0.33 0.29 1.90 -0.65 -0.69 0.00 0.00 174.62 175.81 2fbl h PRO 31 N 4.06 0.00 -0.00 4.92 0.11 -2.01 0.15 132.00 139.24 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 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2fbl h PRO 31 CO 0.57 0.00 -0.03 0.25 -0.21 0.00 0.00 178.00 178.58 2fbl n THR 32 N -3.18 0.00 -1.12 -1.15 -2.24 -1.26 -4.90 114.28 100.44 2fbl n THR 32 Ca 0.01 -0.02 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 2fbl n THR 32 Cb 0.48 -0.38 0.12 0.00 -2.10 0.00 0.00 70.33 68.45 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 -2.46 3.78 0.43 3.42 1.01 0.52 -4.93 116.67 118.44 2fbl s ASP 33 Ca 0.31 1.78 0.24 0.00 0.71 0.00 0.00 52.55 55.59 2fbl s ASP 33 Cb 0.20 -2.42 0.84 0.00 1.01 0.00 0.00 42.92 42.56 2fbl s ASP 33 CO 0.45 -2.49 1.79 0.77 0.21 0.00 0.00 175.17 175.91 2fbl h SER 34 N -1.44 0.00 -3.91 0.27 4.64 -1.90 -3.44 113.55 107.77 2fbl h SER 34 Ca -0.46 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.49 2fbl h SER 34 Cb 1.26 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.20 2fbl h SER 34 CO 0.50 0.22 -0.66 0.27 -0.87 0.00 0.00 176.83 176.30 2fbl s ILE 35 N -3.57 1.04 -0.19 0.95 -4.36 -1.26 -4.73 121.20 109.08 2fbl s ILE 35 Ca 0.01 -2.04 -0.03 0.00 -0.26 0.00 0.00 60.65 58.34 2fbl s ILE 35 Cb 0.10 -2.28 -0.01 0.00 1.25 0.00 0.00 42.46 41.51 2fbl s ILE 35 CO 0.64 -0.38 -0.06 -0.70 0.24 0.00 0.00 174.94 174.68 2fbl s GLU 36 N -3.85 3.44 -0.16 0.37 2.12 0.57 -4.81 118.70 116.38 2fbl s GLU 36 Ca 0.27 -0.61 0.01 0.00 0.36 0.00 0.00 54.97 54.99 2fbl s GLU 36 Cb 0.05 -2.91 0.02 0.00 0.26 0.00 0.00 34.13 31.55 2fbl s GLU 36 CO 0.08 -0.01 -0.17 -1.17 -0.54 0.00 0.00 175.26 173.44 2fbl s LEU 37 N 1.00 1.90 0.04 2.70 2.96 -1.26 -0.98 118.68 125.04 2fbl s LEU 37 Ca -0.00 -0.56 0.07 0.00 -0.22 0.00 0.00 54.13 53.42 2fbl s LEU 37 Cb -0.15 -1.32 -0.02 0.00 0.50 0.00 0.00 46.19 45.20 2fbl s LEU 37 CO 0.00 -0.02 -0.21 -0.60 -1.32 0.00 0.00 176.35 174.21 2fbl s ARG 38 N 1.33 1.41 -0.09 1.98 3.52 -0.28 -0.30 118.95 126.53 2fbl s ARG 38 Ca 0.03 -0.92 0.01 0.00 -0.13 0.00 0.00 55.73 54.72 2fbl s ARG 38 Cb -0.13 -1.51 -0.03 0.00 -1.56 0.00 0.00 34.95 31.72 2fbl s ARG 38 CO -0.11 0.39 -0.10 -0.51 -0.81 0.00 0.00 175.30 174.16 2fbl s LEU 39 N -1.11 2.96 -0.03 -0.88 1.43 0.53 -0.90 118.68 120.68 2fbl s LEU 39 Ca 0.07 -0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 52.99 2fbl s LEU 39 Cb -0.09 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.49 2fbl s LEU 39 CO 0.02 0.29 0.08 0.00 0.23 0.00 0.00 176.35 176.96 2fbl s ARG 40 N -0.38 0.12 -0.16 1.70 1.70 -0.18 -1.10 118.95 120.65 2fbl s ARG 40 Ca 0.05 0.05 -0.03 0.00 -0.47 0.00 0.00 55.73 55.33 2fbl s ARG 40 Cb -0.12 0.06 -0.02 0.00 -0.57 0.00 0.00 34.95 34.29 2fbl s ARG 40 CO 0.02 -0.02 -0.07 -1.14 -1.08 0.00 0.00 175.30 173.02 2fbl s GLN 41 N -0.11 3.53 -0.46 3.89 0.74 0.18 -0.39 119.66 127.05 2fbl s GLN 41 Ca -0.02 -0.59 0.03 0.00 0.05 0.00 0.00 55.36 54.84 2fbl s GLN 41 Cb -0.01 -2.84 0.12 0.00 1.10 0.00 0.00 33.01 31.38 2fbl s GLN 41 CO 0.00 0.15 0.21 -0.65 -0.55 0.00 0.00 175.29 174.45 2fbl s GLN 42 N 0.56 1.69 3.11 1.67 -0.21 -0.60 -2.42 119.66 123.47 2fbl s GLN 42 Ca -0.05 -2.29 0.00 0.00 0.02 0.00 0.00 55.36 53.05 2fbl s GLN 42 Cb -0.15 -3.05 0.00 0.00 1.00 0.00 0.00 33.01 30.81 2fbl s GLN 42 CO 0.03 -1.08 0.00 0.41 -2.12 0.00 0.00 175.29 172.53 2fbl n GLY 43 N 3.50 0.66 0.74 3.09 0.00 -1.00 -2.31 105.19 109.87 2fbl n GLY 43 Ca 0.05 0.65 0.12 0.00 0.00 0.00 0.00 46.02 46.84 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 0.00 -4.31 2.61 5.66 -1.26 -4.98 114.28 112.00 2fbl n THR 44 Ca 0.00 -0.38 -0.17 0.00 -3.05 0.00 0.00 64.05 60.44 2fbl n THR 44 Cb 0.00 1.33 -0.10 0.00 -1.55 0.00 0.00 70.33 70.01 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 -2.21 1.22 -0.00 1.09 2.02 -0.98 -5.02 118.70 114.83 2fbl s GLU 45 Ca 0.24 -1.51 0.00 0.00 0.02 0.00 0.00 54.97 53.73 2fbl s GLU 45 Cb 0.19 -0.98 -0.00 0.00 0.10 0.00 0.00 34.13 33.44 2fbl s GLU 45 CO 0.42 0.16 -0.01 0.71 0.02 0.00 0.00 175.26 176.55 2fbl s TYR 46 N -2.93 0.14 0.03 1.61 2.02 -1.26 -1.56 117.35 115.40 2fbl s TYR 46 Ca 0.19 -0.02 0.01 0.00 -0.37 0.00 0.00 57.07 56.88 2fbl s TYR 46 Cb -0.01 -0.09 -0.02 0.00 -0.40 0.00 0.00 41.96 41.44 2fbl s TYR 46 CO 0.05 -0.01 -0.06 -0.06 -1.57 0.00 0.00 175.55 173.90 2fbl s PHE 47 N -0.01 0.52 -0.09 2.71 0.08 0.48 -1.05 117.98 120.63 2fbl s PHE 47 Ca 0.00 -0.47 0.04 0.00 0.12 0.00 0.00 56.93 56.63 2fbl s PHE 47 Cb -0.01 -0.32 -0.01 0.00 -0.57 0.00 0.00 43.02 42.11 2fbl s PHE 47 CO -0.00 -0.11 -0.23 1.41 -0.10 0.00 0.00 175.22 176.19 2fbl s MET 48 N -1.42 2.89 -0.09 0.44 -2.45 -0.05 -1.01 119.30 117.62 2fbl s MET 48 Ca -0.11 -0.86 0.04 0.00 -1.25 0.00 0.00 55.69 53.51 2fbl s MET 48 Cb -0.09 -2.29 -0.01 0.00 1.25 0.00 0.00 34.83 33.69 2fbl s MET 48 CO -0.00 0.27 -0.22 0.99 1.05 0.00 0.00 175.02 177.11 2fbl s THR 49 N 0.12 2.29 -0.14 10.11 2.01 -0.08 -1.19 115.64 128.77 2fbl s THR 49 Ca -0.12 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 60.93 2fbl s THR 49 Cb -0.16 -1.87 -0.00 0.00 0.01 0.00 0.00 72.50 70.47 2fbl s THR 49 CO 0.06 0.56 -0.17 -0.22 -0.69 0.00 0.00 174.62 174.17 2fbl s LEU 50 N 0.09 2.44 0.01 4.42 0.20 0.35 -1.12 118.68 125.07 2fbl s LEU 50 Ca -0.10 -0.46 0.07 0.00 0.69 0.00 0.00 54.13 54.33 2fbl s LEU 50 Cb -0.16 -1.54 -0.02 0.00 -0.43 0.00 0.00 46.19 44.04 2fbl s LEU 50 CO 0.06 0.12 -0.21 -0.54 -0.29 0.00 0.00 176.35 175.48 2fbl s LYS 51 N 0.62 1.56 0.11 1.98 1.02 -0.15 0.28 119.74 125.17 2fbl s LYS 51 Ca -0.09 -0.85 0.00 0.00 0.02 0.00 0.00 55.97 55.05 2fbl s LYS 51 Cb -0.16 -1.60 0.00 0.00 -0.52 0.00 0.00 37.83 35.55 2fbl s LYS 51 CO 0.03 0.42 0.00 -1.13 -0.92 0.00 0.00 175.35 173.75 2fbl n SER 52 N 2.20 0.34 -1.22 2.83 3.41 -1.26 -0.32 113.62 119.60 2fbl n SER 52 Ca -0.16 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2fbl n SER 52 Cb 0.53 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 2fbl n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2fbl n GLN 59 N -3.22 -1.48 -4.33 4.33 6.02 -1.26 -5.04 117.38 112.39 2fbl n GLN 59 Ca 0.00 1.12 -0.19 0.00 -0.01 0.00 0.00 57.00 57.92 2fbl n GLN 59 Cb 0.11 -1.66 -0.15 0.00 1.02 0.00 0.00 30.24 29.56 2fbl n GLN 59 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2fbl s GLU 60 N -3.68 0.80 -0.02 -1.09 2.12 -1.26 -5.01 118.70 110.56 2fbl s GLU 60 Ca 0.00 -0.27 0.05 0.00 0.36 0.00 0.00 54.97 55.11 2fbl s GLU 60 Cb 0.00 -0.77 -0.01 0.00 0.26 0.00 0.00 34.13 33.61 2fbl s GLU 60 CO 0.00 0.12 -0.17 0.71 -0.54 0.00 0.00 175.26 175.38 2fbl s TYR 61 N 0.11 1.55 -0.07 5.30 2.02 0.14 -4.98 117.35 121.42 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 -0.07 -1.01 0.02 0.00 -0.40 0.00 0.00 41.96 40.50 2fbl s TYR 61 CO 0.00 -0.07 -0.10 -2.00 -1.57 0.00 0.00 175.55 171.82 2fbl s GLU 62 N -0.26 1.49 -0.06 -0.62 2.12 -1.26 -0.50 118.70 119.62 2fbl s GLU 62 Ca 0.03 -0.32 0.06 0.00 0.36 0.00 0.00 54.97 55.11 2fbl s GLU 62 Cb -0.08 -1.34 -0.01 0.00 0.26 0.00 0.00 34.13 32.96 2fbl s GLU 62 CO 0.00 -0.06 -0.25 0.96 -0.54 0.00 0.00 175.26 175.37 2fbl s ILE 63 N 0.95 2.08 0.22 -3.70 -4.36 -0.33 -5.01 121.20 111.04 2fbl s ILE 63 Ca -0.10 -1.06 -0.30 0.00 -0.26 0.00 0.00 60.65 58.94 2fbl s ILE 63 Cb -0.15 -1.75 -0.08 0.00 1.25 0.00 0.00 42.46 41.73 2fbl s ILE 63 CO 0.00 0.57 1.10 -1.58 0.24 0.00 0.00 174.94 175.28 2fbl s GLN 64 N -0.18 4.61 0.27 0.37 0.74 -1.26 -0.87 119.66 123.34 2fbl s GLN 64 Ca -0.03 1.75 0.06 0.00 0.05 0.00 0.00 55.36 57.19 2fbl s GLN 64 Cb -0.14 -3.24 -0.06 0.00 1.10 0.00 0.00 33.01 30.67 2fbl s GLN 64 CO 0.04 0.13 -0.05 0.96 -0.55 0.00 0.00 175.29 175.81 2fbl s ILE 65 N -0.59 1.55 0.74 -2.34 -4.36 -0.22 -4.92 121.20 111.06 2fbl s ILE 65 Ca 0.48 -2.11 -0.05 0.00 -0.26 0.00 0.00 60.65 58.70 2fbl s ILE 65 Cb -0.30 -2.41 0.11 0.00 1.25 0.00 0.00 42.46 41.10 2fbl s ILE 65 CO 0.37 -0.32 1.03 1.51 0.24 0.00 0.00 174.94 177.77 2fbl s ASP 66 N -3.41 4.37 0.42 4.36 1.47 -1.26 -4.04 116.67 118.57 2fbl s ASP 66 Ca 0.29 0.01 0.08 0.00 1.18 0.00 0.00 52.55 54.11 2fbl s ASP 66 Cb 0.04 -0.47 0.90 0.00 -0.34 0.00 0.00 42.92 43.05 2fbl s ASP 66 CO 0.11 -1.85 2.06 1.62 0.68 0.00 0.00 175.17 177.79 2fbl h VAL 67 N -0.67 1.08 -0.01 2.11 3.04 -1.96 -0.42 116.25 119.44 2fbl h VAL 67 Ca -0.41 -0.17 -0.18 0.00 -1.01 0.00 0.00 66.70 64.93 2fbl h VAL 67 Cb 1.28 0.53 0.01 0.00 -2.01 0.00 0.00 31.29 31.11 2fbl h VAL 67 CO 0.47 0.09 -0.71 0.74 -1.01 0.00 0.00 177.57 177.15 2fbl h THR 68 N 0.51 1.38 -0.71 3.17 2.02 -1.98 -0.53 112.91 116.77 2fbl h THR 68 Ca 0.15 -2.11 0.06 0.00 0.77 0.00 0.00 66.41 65.28 2fbl h THR 68 Cb -0.02 2.51 -0.05 0.00 -1.74 0.00 0.00 68.15 68.85 2fbl h THR 68 CO -0.03 0.62 0.41 1.56 0.37 0.00 0.00 175.52 178.45 2fbl h GLN 69 N 0.04 0.74 0.04 6.66 4.20 -1.81 -0.69 115.11 124.29 2fbl h GLN 69 Ca -0.09 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 2fbl h GLN 69 Cb 1.40 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 29.02 2fbl h GLN 69 CO 0.14 0.49 -0.02 0.35 -0.67 0.00 0.00 178.83 179.12 2fbl h PHE 70 N 0.76 -0.05 0.00 2.96 3.57 -0.92 -2.06 116.94 121.20 2fbl h PHE 70 Ca 0.31 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.74 2fbl h PHE 70 Cb 0.16 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 2fbl h PHE 70 CO -0.06 0.10 -0.34 0.93 -2.23 0.00 0.00 178.31 176.71 2fbl h GLU 71 N -0.19 0.00 -0.51 1.11 4.39 -0.97 0.46 114.58 118.87 2fbl h GLU 71 Ca -0.01 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 2fbl h GLU 71 Cb 0.18 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 2fbl h GLU 71 CO 0.01 0.34 -0.08 0.52 -1.16 0.00 0.00 179.01 178.64 2fbl h MET 72 N 0.00 0.92 0.00 2.33 2.86 -1.03 -3.31 114.93 116.70 2fbl h MET 72 Ca -0.00 -0.31 -0.19 0.00 -2.06 0.00 0.00 59.70 57.14 2fbl h MET 72 Cb 0.95 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.50 2fbl h MET 72 CO 0.04 0.96 -1.22 -0.07 1.06 0.00 0.00 176.91 177.69 2fbl h LEU 73 N 0.83 0.00 -0.99 1.22 3.38 -0.76 -3.39 115.31 115.60 2fbl h LEU 73 Ca 0.14 0.00 0.28 0.00 0.09 0.00 0.00 57.88 58.39 2fbl h LEU 73 Cb 0.60 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.17 2fbl h LEU 73 CO 0.04 0.73 0.06 -0.25 0.09 0.00 0.00 178.44 179.10 2fbl h TRP 74 N 0.00 -0.00 0.00 1.13 2.91 -0.19 0.15 115.95 119.96 2fbl h TRP 74 Ca -0.13 0.07 0.00 0.00 1.13 0.00 0.00 58.89 59.96 2fbl h TRP 74 Cb 1.67 0.16 0.00 0.00 -0.51 0.00 0.00 29.16 30.48 2fbl h TRP 74 CO 0.00 -0.44 0.05 -1.35 -1.03 0.00 0.00 178.44 175.67 2fbl h PRO 75 N 0.01 0.00 -0.15 2.65 0.11 -1.76 0.11 132.00 132.97 2fbl h PRO 75 Ca 0.62 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.73 2fbl h PRO 75 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2fbl h PRO 75 CO -0.92 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 176.87 2fbl n ALA 76 N -1.93 2.52 0.78 -0.75 0.00 0.53 -2.99 120.51 118.67 2fbl n ALA 76 Ca -0.02 -0.40 0.12 0.00 0.00 0.00 0.00 53.44 53.14 2fbl n ALA 76 Cb 0.10 -1.11 0.21 0.00 0.00 0.00 0.00 19.45 18.65 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 0.02 0.23 -1.69 0.00 -2.24 0.40 -4.60 114.28 106.41 2fbl n THR 77 Ca 0.13 -0.57 -0.45 0.00 -2.27 0.00 0.00 64.05 60.90 2fbl n THR 77 Cb 0.23 1.11 -0.04 0.00 -2.10 0.00 0.00 70.33 69.53 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 1.23 2.42 -0.10 -0.78 2.13 -1.16 -0.52 120.64 123.85 2fbl n GLU 78 Ca 0.17 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.86 2fbl n GLU 78 Cb 0.56 -2.69 0.00 0.00 0.27 0.00 0.00 31.44 29.58 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 3.79 1.22 2.57 8.31 0.00 -1.26 -4.89 105.19 114.92 2fbl n GLY 79 Ca 0.17 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 2.13 -4.27 1.61 1.74 0.32 -4.61 116.66 111.58 2fbl n ARG 80 Ca 0.00 -3.83 -0.19 0.00 -0.77 0.00 0.00 57.85 53.06 2fbl n ARG 80 Cb 0.00 -1.72 -0.11 0.00 -1.02 0.00 0.00 32.46 29.61 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 -3.25 1.10 -0.09 5.56 0.52 -1.19 -1.23 118.95 120.37 2fbl s ARG 81 Ca 0.37 -1.29 0.01 0.00 -0.52 0.00 0.00 55.73 54.31 2fbl s ARG 81 Cb 0.42 -1.02 0.02 0.00 0.52 0.00 0.00 34.95 34.88 2fbl s ARG 81 CO -0.07 0.20 -0.12 0.08 0.02 0.00 0.00 175.30 175.42 2fbl s VAL 82 N -2.13 1.17 -0.05 3.52 1.01 -0.82 -4.43 120.40 118.67 2fbl s VAL 82 Ca 0.11 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.68 2fbl s VAL 82 Cb -0.05 -1.10 -0.00 0.00 0.00 0.00 0.00 36.38 35.23 2fbl s VAL 82 CO 0.04 0.37 -0.18 -1.61 0.00 0.00 0.00 175.10 173.72 2fbl s GLU 83 N 0.99 1.93 0.09 2.72 2.02 -1.26 -1.64 118.70 123.55 2fbl s GLU 83 Ca -0.08 -0.66 -0.26 0.00 0.02 0.00 0.00 54.97 53.99 2fbl s GLU 83 Cb -0.15 -1.66 0.08 0.00 0.10 0.00 0.00 34.13 32.50 2fbl s GLU 83 CO -0.00 0.26 0.81 -1.59 0.02 0.00 0.00 175.26 174.75 2fbl s LYS 84 N 0.02 1.09 -0.18 1.61 -2.85 -0.64 -0.86 119.74 117.93 2fbl s LYS 84 Ca -0.04 -0.46 -0.05 0.00 -1.00 0.00 0.00 55.97 54.41 2fbl s LYS 84 Cb -0.12 0.46 -0.03 0.00 -2.06 0.00 0.00 37.83 36.08 2fbl s LYS 84 CO 0.03 -0.48 0.01 0.99 0.10 0.00 0.00 175.35 175.99 2fbl s THR 85 N -3.39 4.18 -0.22 3.79 2.01 -0.32 -0.86 115.64 120.84 2fbl s THR 85 Ca 0.06 -0.24 -0.10 0.00 0.31 0.00 0.00 61.69 61.72 2fbl s THR 85 Cb -0.01 -2.88 -0.05 0.00 0.01 0.00 0.00 72.50 69.57 2fbl s THR 85 CO -0.07 0.45 0.13 -0.60 -0.69 0.00 0.00 174.62 173.84 2fbl s ARG 86 N 0.67 4.05 -0.16 4.92 3.52 -0.28 -0.52 118.95 131.14 2fbl s ARG 86 Ca 0.00 -0.29 -0.03 0.00 -0.13 0.00 0.00 55.73 55.28 2fbl s ARG 86 Cb -0.14 -3.44 -0.02 0.00 -1.56 0.00 0.00 34.95 29.79 2fbl s ARG 86 CO 0.02 0.14 -0.06 0.71 -0.81 0.00 0.00 175.30 175.30 2fbl s TYR 87 N 0.81 2.96 -0.19 5.12 2.02 0.70 -0.79 117.35 128.00 2fbl s TYR 87 Ca 0.07 -0.50 -0.09 0.00 -0.37 0.00 0.00 57.07 56.17 2fbl s TYR 87 Cb -0.13 -1.97 -0.05 0.00 -0.40 0.00 0.00 41.96 39.41 2fbl s TYR 87 CO 0.02 -0.18 0.13 -1.12 -1.57 0.00 0.00 175.55 172.83 2fbl s SER 88 N 0.61 6.20 0.00 2.29 0.01 0.04 -0.04 113.70 122.81 2fbl s SER 88 Ca -0.04 0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.48 2fbl s SER 88 Cb -0.15 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 64.01 2fbl s SER 88 CO 0.03 0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.50 2fbl n GLY 89 N 3.27 3.45 3.19 3.44 0.00 -0.88 -1.21 105.19 116.45 2fbl n GLY 89 Ca -0.17 -1.35 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.37 0.33 0.71 1.61 2.20 -1.26 -1.47 119.74 120.50 2fbl s LYS 90 Ca 0.00 0.61 -0.11 0.00 -0.36 0.00 0.00 55.97 56.11 2fbl s LYS 90 Cb 0.00 0.01 0.02 0.00 -1.51 0.00 0.00 37.83 36.35 2fbl s LYS 90 CO 0.00 -0.13 1.07 -0.51 -0.36 0.00 0.00 175.35 175.42 2fbl s LEU 91 N 0.99 3.13 0.50 5.43 1.43 -0.06 -4.90 118.68 125.20 2fbl s LEU 91 Ca -0.07 1.70 0.27 0.00 -1.03 0.00 0.00 54.13 55.01 2fbl s LEU 91 Cb -0.07 -4.51 1.36 0.00 0.03 0.00 0.00 46.19 43.01 2fbl s LEU 91 CO -0.07 -1.62 1.88 -0.65 0.23 0.00 0.00 176.35 176.12 2fbl h PRO 92 N -0.77 0.11 -0.00 1.29 0.11 -2.02 0.38 132.00 131.10 2fbl h PRO 92 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2fbl h PRO 92 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2fbl h PRO 92 CO 0.55 0.08 -0.00 -0.25 -0.21 0.00 0.00 178.00 178.16 2fbl n ASP 93 N -4.35 0.17 0.00 -2.05 8.00 -1.26 -4.93 116.55 112.13 2fbl n ASP 93 Ca 0.18 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.68 2fbl n ASP 93 Cb 0.87 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.96 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 1.04 0.89 3.75 0.44 0.00 0.13 -5.07 105.19 106.37 2fbl n GLY 94 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.59 4.40 0.36 1.61 1.11 -1.26 -4.69 119.66 120.61 2fbl s GLN 95 Ca 0.00 2.08 -0.24 0.00 0.01 0.00 0.00 55.36 57.21 2fbl s GLN 95 Cb 0.00 -3.16 -0.10 0.00 -1.01 0.00 0.00 33.01 28.73 2fbl s GLN 95 CO 0.00 -0.21 0.95 -0.51 0.01 0.00 0.00 175.29 175.53 2fbl s LEU 96 N -0.56 4.19 0.13 2.90 1.43 -1.26 -0.88 118.68 124.63 2fbl s LEU 96 Ca 0.54 1.79 0.04 0.00 -1.03 0.00 0.00 54.13 55.47 2fbl s LEU 96 Cb -0.37 -4.21 -0.04 0.00 0.03 0.00 0.00 46.19 41.60 2fbl s LEU 96 CO 0.42 -0.18 -0.09 0.72 0.23 0.00 0.00 176.35 177.44 2fbl s PHE 97 N -1.82 1.16 -0.09 0.29 -0.12 -0.54 -3.22 117.98 113.64 2fbl s PHE 97 Ca 0.55 -0.80 0.01 0.00 -0.05 0.00 0.00 56.93 56.63 2fbl s PHE 97 Cb -0.15 -0.61 0.02 0.00 -0.63 0.00 0.00 43.02 41.65 2fbl s PHE 97 CO 0.20 0.02 -0.10 -1.21 -0.05 0.00 0.00 175.22 174.07 2fbl s GLU 98 N -3.77 1.65 -0.19 1.99 0.41 -0.45 -2.07 118.70 116.27 2fbl s GLU 98 Ca 0.15 -0.35 0.00 0.00 -0.41 0.00 0.00 54.97 54.37 2fbl s GLU 98 Cb 0.03 -1.51 0.02 0.00 -1.78 0.00 0.00 34.13 30.89 2fbl s GLU 98 CO -0.01 -0.11 -0.17 -1.17 -0.49 0.00 0.00 175.26 173.31 2fbl s LEU 99 N 1.15 2.33 -0.18 1.80 0.20 0.94 -0.61 118.68 124.30 2fbl s LEU 99 Ca -0.05 -0.66 -0.08 0.00 0.69 0.00 0.00 54.13 54.03 2fbl s LEU 99 Cb -0.14 -1.52 -0.04 0.00 -0.43 0.00 0.00 46.19 44.05 2fbl s LEU 99 CO -0.02 -0.02 0.08 -1.81 -0.29 0.00 0.00 176.35 174.29 2fbl s ASP 100 N 1.31 5.79 -0.31 3.68 1.01 0.55 -0.21 116.67 128.49 2fbl s ASP 100 Ca 0.04 0.14 -0.05 0.00 0.71 0.00 0.00 52.55 53.40 2fbl s ASP 100 Cb -0.14 -1.98 0.03 0.00 1.01 0.00 0.00 42.92 41.85 2fbl s ASP 100 CO -0.11 0.20 0.06 -0.69 0.21 0.00 0.00 175.17 174.84 2fbl s VAL 101 N 0.21 3.53 0.33 -1.27 1.01 0.32 -1.27 120.40 123.27 2fbl s VAL 101 Ca 0.05 -1.08 -0.14 0.00 0.00 0.00 0.00 61.98 60.82 2fbl s VAL 101 Cb -0.12 -2.94 -0.08 0.00 0.00 0.00 0.00 36.38 33.24 2fbl s VAL 101 CO -0.00 -0.06 0.73 -0.36 0.00 0.00 0.00 175.10 175.41 2fbl s PHE 102 N 1.38 3.40 0.50 5.22 0.08 -0.97 -1.17 117.98 126.41 2fbl s PHE 102 Ca -0.01 1.15 0.04 0.00 0.12 0.00 0.00 56.93 58.23 2fbl s PHE 102 Cb -0.19 -2.50 -0.00 0.00 -0.57 0.00 0.00 43.02 39.76 2fbl s PHE 102 CO 0.01 0.06 0.19 0.00 -0.10 0.00 0.00 175.22 175.38 2fbl s ALA 103 N -2.06 4.09 0.00 5.36 0.00 -0.04 -3.89 121.76 125.23 2fbl s ALA 103 Ca 0.53 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 51.36 2fbl s ALA 103 Cb -0.10 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.68 2fbl s ALA 103 CO 0.21 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.16 2fbl n GLY 104 N -1.43 2.39 0.09 0.00 0.00 -1.26 -3.10 105.19 101.87 2fbl n GLY 104 Ca -0.08 -0.33 0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 14.00 0.61 0.50 1.61 1.44 -1.26 -1.47 115.22 130.65 2fbl n HIS 105 Ca 0.00 0.22 0.13 0.00 -2.01 0.00 0.00 57.72 56.06 2fbl n HIS 105 Cb 0.00 -0.86 0.35 0.00 0.12 0.00 0.00 29.99 29.59 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 -9.63 2.39 3.38 -1.88 -3.45 115.31 106.13 2fbl h LEU 106 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 2fbl h LEU 106 Cb 0.41 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.29 2fbl h LEU 106 CO 0.00 0.00 0.19 -0.24 0.09 0.00 0.00 178.44 178.48 2fbl n SER 107 N -2.51 1.39 -1.35 -0.43 2.88 -0.54 -0.37 113.62 112.69 2fbl n SER 107 Ca 0.05 1.07 -0.02 0.00 -1.33 0.00 0.00 58.87 58.64 2fbl n SER 107 Cb 0.45 -1.36 0.16 0.00 -0.75 0.00 0.00 64.21 62.72 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 0.26 2.45 -1.70 -1.46 -0.04 -1.26 -5.03 135.00 128.22 2fbl n PRO 108 Ca 0.09 -1.54 -0.43 0.00 -0.04 0.00 0.00 63.50 61.58 2fbl n PRO 108 Cb 0.38 -1.77 -0.02 0.00 -0.04 0.00 0.00 33.50 32.05 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 0.08 3.66 -3.96 1.53 7.94 0.50 -4.88 117.00 121.88 2fbl n LEU 109 Ca 0.20 1.17 -0.16 0.00 -1.11 0.00 0.00 56.01 56.11 2fbl n LEU 109 Cb 0.86 -1.50 -0.14 0.00 0.53 0.00 0.00 43.42 43.17 2fbl n LEU 109 CO 0.21 -0.27 -0.40 -0.04 -1.11 0.00 0.00 177.39 175.78 2fbl s MET 110 N -0.91 0.40 0.06 1.96 -1.94 -1.26 -2.30 119.30 115.32 2fbl s MET 110 Ca 0.63 -0.19 0.05 0.00 -1.71 0.00 0.00 55.69 54.47 2fbl s MET 110 Cb -0.58 -0.39 -0.03 0.00 2.01 0.00 0.00 34.83 35.85 2fbl s MET 110 CO 0.53 0.11 -0.14 -0.51 -0.01 0.00 0.00 175.02 175.00 2fbl s LEU 111 N -0.14 2.24 -0.07 -0.03 1.43 -0.40 -2.60 118.68 119.10 2fbl s LEU 111 Ca 0.02 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.58 2fbl s LEU 111 Cb -0.02 -0.54 0.01 0.00 0.03 0.00 0.00 46.19 45.67 2fbl s LEU 111 CO -0.00 -0.04 -0.12 0.54 0.23 0.00 0.00 176.35 176.96 2fbl s VAL 112 N -1.11 1.15 -0.11 -1.59 0.11 0.85 -0.33 120.40 119.37 2fbl s VAL 112 Ca -0.01 -0.47 0.01 0.00 -2.93 0.00 0.00 61.98 58.58 2fbl s VAL 112 Cb -0.09 -1.06 -0.02 0.00 -1.53 0.00 0.00 36.38 33.68 2fbl s VAL 112 CO 0.02 0.36 -0.15 -0.70 -3.33 0.00 0.00 175.10 171.31 2fbl s GLU 113 N 0.80 3.16 -0.03 1.54 2.12 0.22 -0.50 118.70 126.00 2fbl s GLU 113 Ca -0.12 -0.71 0.05 0.00 0.36 0.00 0.00 54.97 54.55 2fbl s GLU 113 Cb -0.15 -2.54 -0.02 0.00 0.26 0.00 0.00 34.13 31.67 2fbl s GLU 113 CO 0.02 0.30 -0.18 0.14 -0.54 0.00 0.00 175.26 175.00 2fbl s VAL 114 N 0.11 2.78 0.04 3.70 -7.23 0.06 -1.34 120.40 118.52 2fbl s VAL 114 Ca -0.07 -0.87 0.06 0.00 -1.81 0.00 0.00 61.98 59.29 2fbl s VAL 114 Cb -0.15 -2.07 -0.03 0.00 0.56 0.00 0.00 36.38 34.69 2fbl s VAL 114 CO 0.05 0.56 -0.14 -1.83 -0.31 0.00 0.00 175.10 173.43 2fbl s GLU 115 N -0.77 2.20 0.12 4.82 -1.05 -1.20 -1.48 118.70 121.34 2fbl s GLU 115 Ca 0.11 -0.92 0.07 0.00 -0.15 0.00 0.00 54.97 54.08 2fbl s GLU 115 Cb -0.10 -2.28 -0.04 0.00 -0.44 0.00 0.00 34.13 31.27 2fbl s GLU 115 CO 0.01 0.55 -0.16 -0.06 0.95 0.00 0.00 175.26 176.55 2fbl s PHE 116 N -0.98 1.50 0.01 4.83 0.40 0.15 -4.41 117.98 119.48 2fbl s PHE 116 Ca 0.16 -0.50 -0.02 0.00 -0.60 0.00 0.00 56.93 55.97 2fbl s PHE 116 Cb -0.11 -0.79 -0.27 0.00 0.51 0.00 0.00 43.02 42.36 2fbl s PHE 116 CO 0.07 0.17 0.88 -0.07 0.70 0.00 0.00 175.22 176.97 2fbl h LEU 117 N 3.72 0.37 -8.84 -0.37 4.07 -1.97 -3.37 115.31 108.91 2fbl h LEU 117 Ca -0.41 -0.50 -0.66 0.00 0.08 0.00 0.00 57.88 56.38 2fbl h LEU 117 Cb 1.19 -0.12 -0.22 0.00 1.08 0.00 0.00 40.66 42.59 2fbl h LEU 117 CO 0.47 1.41 -0.86 -0.94 -1.08 0.00 0.00 178.44 177.44 2fbl s SER 118 N -6.95 3.14 0.00 -0.43 1.04 -1.26 -5.01 113.70 104.23 2fbl s SER 118 Ca -0.08 -0.72 0.17 0.00 0.48 0.00 0.00 55.95 55.80 2fbl s SER 118 Cb 0.07 -0.21 0.76 0.00 0.10 0.00 0.00 66.02 66.74 2fbl s SER 118 CO 0.85 0.16 1.54 1.21 0.98 0.00 0.00 173.24 177.99 2fbl n GLU 119 N 1.05 0.05 -0.00 4.02 2.13 -1.26 -1.85 120.64 124.77 2fbl n GLU 119 Ca -0.18 0.19 0.10 0.00 0.66 0.00 0.00 57.16 57.93 2fbl n GLU 119 Cb 0.53 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.60 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 -1.46 0.55 -0.22 4.31 5.68 -1.26 -1.85 116.55 122.30 2fbl n ASP 120 Ca 0.05 -0.53 -0.08 0.00 -0.50 0.00 0.00 54.79 53.73 2fbl n ASP 120 Cb 0.19 1.46 0.03 0.00 -1.14 0.00 0.00 41.12 41.66 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 2.51 0.80 -0.28 2.12 0.00 -1.81 0.56 119.26 123.17 2fbl h ALA 121 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2fbl h ALA 121 Cb 0.73 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2fbl h ALA 121 CO 0.00 0.46 0.15 0.00 0.00 0.00 0.00 179.25 179.86 2fbl h ALA 122 N 1.07 0.35 -0.02 0.00 0.00 -1.42 -0.57 119.26 118.67 2fbl h ALA 122 Ca 0.20 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 2fbl h ALA 122 Cb 0.26 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2fbl h ALA 122 CO -0.01 -0.11 -0.60 1.96 0.00 0.00 0.00 179.25 180.48 2fbl h GLN 123 N 0.33 0.09 0.00 0.00 4.20 -1.39 -2.96 115.11 115.37 2fbl h GLN 123 Ca 0.10 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2fbl h GLN 123 Cb 0.07 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.86 2fbl h GLN 123 CO -0.02 0.66 -0.09 0.00 -0.67 0.00 0.00 178.83 178.71 2fbl h ALA 124 N 1.33 0.95 -1.54 3.87 0.00 -0.76 -3.47 119.26 119.63 2fbl h ALA 124 Ca -0.01 0.00 -0.72 0.00 0.00 0.00 0.00 54.91 54.18 2fbl h ALA 124 Cb 1.08 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.91 2fbl h ALA 124 CO 0.08 0.00 0.61 0.34 0.00 0.00 0.00 179.25 180.28 2fbl n PHE 125 N -2.71 1.66 -3.57 0.00 7.35 -0.23 -4.95 117.46 115.02 2fbl n PHE 125 Ca 0.04 0.66 -0.41 0.00 -0.76 0.00 0.00 57.45 56.98 2fbl n PHE 125 Cb 0.49 -2.36 -0.11 0.00 0.35 0.00 0.00 39.48 37.85 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 1.73 4.74 0.41 -2.13 -1.09 -1.26 -5.07 121.20 118.53 2fbl s ILE 126 Ca 0.91 -0.79 -0.27 0.00 -2.23 0.00 0.00 60.65 58.27 2fbl s ILE 126 Cb -1.05 -3.64 -0.10 0.00 -1.58 0.00 0.00 42.46 36.09 2fbl s ILE 126 CO 0.56 -0.24 1.46 -2.65 -1.23 0.00 0.00 174.94 172.84 2fbl n PRO 127 N 5.04 2.47 -1.16 2.79 -0.02 -1.26 -4.98 135.00 137.88 2fbl n PRO 127 Ca -0.12 0.87 -0.30 0.00 -2.02 0.00 0.00 63.50 61.94 2fbl n PRO 127 Cb 0.46 -2.64 0.14 0.00 -0.02 0.00 0.00 33.50 31.44 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 -2.24 1.31 0.49 0.52 0.04 -1.26 -4.91 135.00 128.94 2fbl s PRO 128 Ca 0.57 0.91 0.15 0.00 0.04 0.00 0.00 61.00 62.66 2fbl s PRO 128 Cb -0.47 -1.81 1.15 0.00 0.04 0.00 0.00 34.50 33.41 2fbl s PRO 128 CO 0.61 -2.23 2.09 -1.35 0.04 0.00 0.00 177.00 176.17 2fbl h PRO 129 N -1.54 0.05 0.00 0.56 0.11 -2.02 -2.46 132.00 126.70 2fbl h PRO 129 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2fbl h PRO 129 Cb 1.28 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2fbl h PRO 129 CO 0.53 0.09 0.00 0.11 -0.21 0.00 0.00 178.00 178.52 2fbl h TRP 130 N 0.05 0.00 -4.11 0.65 5.08 -1.91 -3.44 115.95 112.27 2fbl h TRP 130 Ca 0.01 0.00 -0.48 0.00 1.08 0.00 0.00 58.89 59.50 2fbl h TRP 130 Cb 0.10 0.00 0.05 0.00 -3.00 0.00 0.00 29.16 26.31 2fbl h TRP 130 CO 0.00 0.00 0.39 -0.06 -1.28 0.00 0.00 178.44 177.49 2fbl s PHE 131 N -3.45 2.90 0.00 0.12 0.40 -0.93 -0.21 117.98 116.81 2fbl s PHE 131 Ca 0.02 1.55 0.00 0.00 -0.60 0.00 0.00 56.93 57.91 2fbl s PHE 131 Cb 0.09 -3.11 0.00 0.00 0.51 0.00 0.00 43.02 40.51 2fbl s PHE 131 CO 0.40 -1.11 0.00 0.41 0.70 0.00 0.00 175.22 175.61 2fbl n GLY 132 N -0.31 2.74 3.76 4.36 0.00 0.13 -4.34 105.19 111.53 2fbl n GLY 132 Ca 0.10 -2.00 -0.37 0.00 0.00 0.00 0.00 46.02 43.75 2fbl n GLY 132 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2fbl s GLU 133 N 2.95 3.37 0.29 1.61 2.02 -1.26 -4.42 118.70 123.27 2fbl s GLU 133 Ca 0.00 1.87 -0.28 0.00 0.02 0.00 0.00 54.97 56.58 2fbl s GLU 133 Cb 0.00 -2.20 -0.09 0.00 0.10 0.00 0.00 34.13 31.94 2fbl s GLU 133 CO 0.00 -0.89 0.99 -2.00 0.02 0.00 0.00 175.26 173.38 2fbl s GLU 134 N -2.98 4.65 -0.03 1.61 2.12 -1.26 -0.80 118.70 122.01 2fbl s GLU 134 Ca 0.70 1.52 0.04 0.00 0.36 0.00 0.00 54.97 57.60 2fbl s GLU 134 Cb -0.31 -3.04 0.07 0.00 0.26 0.00 0.00 34.13 31.11 2fbl s GLU 134 CO 0.36 0.30 0.91 1.33 -0.54 0.00 0.00 175.26 177.62 2fbl n VAL 135 N 0.97 0.79 -0.31 3.70 0.24 0.76 -4.86 118.33 119.62 2fbl n VAL 135 Ca 0.00 -0.88 0.16 0.00 -2.04 0.00 0.00 64.34 61.59 2fbl n VAL 135 Cb 0.48 0.45 0.34 0.00 -1.47 0.00 0.00 33.84 33.64 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 1.93 0.27 -0.02 3.34 2.02 -1.83 -0.20 112.91 118.42 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 0.89 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 2fbl h THR 136 CO 0.00 0.04 -0.05 -0.62 0.37 0.00 0.00 175.52 175.26 2fbl n GLU 137 N -5.21 1.84 -2.89 6.66 4.71 -1.26 -4.86 120.64 119.63 2fbl n GLU 137 Ca 0.24 -1.32 -0.42 0.00 -0.01 0.00 0.00 57.16 55.66 2fbl n GLU 137 Cb 0.78 -1.47 -0.04 0.00 -1.01 0.00 0.00 31.44 29.70 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 -2.07 6.91 0.47 1.62 -1.08 -0.09 -4.87 116.67 117.57 2fbl s ASP 138 Ca 0.32 1.13 0.20 0.00 -0.52 0.00 0.00 52.55 53.68 2fbl s ASP 138 Cb 0.20 -2.45 1.17 0.00 -1.46 0.00 0.00 42.92 40.39 2fbl s ASP 138 CO 0.35 -0.45 2.01 0.11 0.52 0.00 0.00 175.17 177.71 2fbl h LYS 139 N 7.46 0.00 0.00 4.34 1.57 -1.89 -2.87 116.57 125.18 2fbl h LYS 139 Ca -0.27 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2fbl h LYS 139 Cb 1.11 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 2fbl h LYS 139 CO 0.85 0.18 -0.01 0.00 -0.57 0.00 0.00 179.45 179.91 2fbl h ARG 140 N 0.00 0.00 -0.07 3.15 3.08 -1.94 -2.84 114.38 115.76 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 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2fbl h ARG 140 CO 0.02 0.01 0.00 0.66 -1.07 0.00 0.00 179.97 179.59 2fbl n TYR 141 N -3.12 0.07 -1.88 3.04 4.01 -1.08 -4.17 117.16 114.03 2fbl n TYR 141 Ca -0.02 -0.05 -0.37 0.00 -0.16 0.00 0.00 57.90 57.30 2fbl n TYR 141 Cb 0.16 -0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.23 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 -1.36 3.04 0.21 -0.72 -0.14 -1.07 -4.83 119.74 114.87 2fbl s LYS 142 Ca 0.21 2.05 -0.11 0.00 -1.36 0.00 0.00 55.97 56.77 2fbl s LYS 142 Cb 0.14 -2.11 0.30 0.00 -1.68 0.00 0.00 37.83 34.48 2fbl s LYS 142 CO 0.21 -1.21 1.66 -0.97 -0.76 0.00 0.00 175.35 174.28 2fbl h ASN 143 N 1.19 -0.31 0.05 2.83 -0.73 -1.92 -0.91 115.58 115.77 2fbl h ASN 143 Ca -0.51 0.16 -0.17 0.00 1.87 0.00 0.00 56.30 57.65 2fbl h ASN 143 Cb 1.30 0.29 -0.00 0.00 0.27 0.00 0.00 38.32 40.18 2fbl h ASN 143 CO 0.56 -0.13 -0.60 0.50 -0.37 0.00 0.00 177.43 177.39 2fbl h LYS 144 N 0.10 0.56 -0.69 6.67 3.64 -1.95 0.50 116.57 125.40 2fbl h LYS 144 Ca 0.33 -0.38 0.06 0.00 -1.27 0.00 0.00 60.65 59.39 2fbl h LYS 144 Cb 0.53 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.35 2fbl h LYS 144 CO -0.55 0.99 0.39 0.00 -2.27 0.00 0.00 179.45 178.01 2fbl h ALA 145 N 0.92 0.93 -0.11 5.00 0.00 -1.78 0.19 119.26 124.40 2fbl h ALA 145 Ca -0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2fbl h ALA 145 Cb 1.16 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2fbl h ALA 145 CO 0.11 0.07 0.01 -0.07 0.00 0.00 0.00 179.25 179.37 2fbl h LEU 146 N 0.71 0.19 -0.86 0.00 3.38 -0.89 -1.58 115.31 116.26 2fbl h LEU 146 Ca 0.31 -0.28 0.09 0.00 0.09 0.00 0.00 57.88 58.08 2fbl h LEU 146 Cb 0.19 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 2fbl h LEU 146 CO -0.18 0.42 0.51 0.00 0.09 0.00 0.00 178.44 179.29 2fbl h ALA 147 N 0.77 1.23 0.00 1.53 0.00 -0.61 -2.90 119.26 119.28 2fbl h ALA 147 Ca 0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2fbl h ALA 147 Cb 0.32 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2fbl h ALA 147 CO 0.00 0.18 -0.21 1.28 0.00 0.00 0.00 179.25 180.50 2fbl n LEU 148 N -4.68 0.31 -4.74 0.00 4.77 0.65 -3.18 117.00 110.13 2fbl n LEU 148 Ca 0.14 0.33 -0.30 0.00 -0.03 0.00 0.00 56.01 56.14 2fbl n LEU 148 Cb 0.25 -0.37 0.12 0.00 -2.33 0.00 0.00 43.42 41.09 2fbl n LEU 148 CO 0.28 0.01 0.68 -0.94 -1.33 0.00 0.00 177.39 176.10 2fbl s SER 149 N -3.29 3.90 0.05 -1.43 1.04 -0.61 -4.96 113.70 108.41 2fbl s SER 149 Ca 0.12 1.65 0.05 0.00 0.48 0.00 0.00 55.95 58.25 2fbl s SER 149 Cb 0.17 -2.33 -0.03 0.00 0.10 0.00 0.00 66.02 63.93 2fbl s SER 149 CO 0.61 -2.39 -0.15 -0.63 0.98 0.00 0.00 173.24 171.66 2fbl s ILE 150 N -2.91 1.15 -1.67 -1.02 1.01 -1.26 -4.89 121.20 111.61 2fbl s ILE 150 Ca 0.62 -1.15 0.00 0.00 0.00 0.00 0.00 60.65 60.13 2fbl s ILE 150 Cb -0.18 -1.07 0.00 0.00 0.01 0.00 0.00 42.46 41.23 2fbl s ILE 150 CO 0.57 -0.08 0.42 -2.65 0.00 0.00 0.00 174.94 173.19