#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qsf s VAL 4 N 0.00 5.27 0.11 1.61 1.01 -1.26 -2.62 120.40 124.51 1qsf s VAL 4 Ca 0.00 0.46 0.10 0.00 0.00 0.00 0.00 61.98 62.54 1qsf s VAL 4 Cb 0.00 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1qsf s VAL 4 CO 0.00 0.30 -0.25 0.42 0.00 0.00 0.00 175.10 175.56 1qsf s THR 5 N 1.19 2.09 -0.14 3.92 -4.23 -0.30 -4.41 115.64 113.76 1qsf s THR 5 Ca 0.14 -1.62 -0.23 0.00 -1.18 0.00 0.00 61.69 58.80 1qsf s THR 5 Cb -0.14 -1.85 0.06 0.00 1.34 0.00 0.00 72.50 71.91 1qsf s THR 5 CO 0.06 0.11 0.57 0.00 -0.54 0.00 0.00 174.62 174.83 1qsf s GLN 6 N -1.84 0.79 0.06 3.99 -2.07 -1.26 -1.02 119.66 118.31 1qsf s GLN 6 Ca 0.12 0.50 0.00 0.00 -1.82 0.00 0.00 55.36 54.16 1qsf s GLN 6 Cb -0.10 0.38 -0.04 0.00 -1.09 0.00 0.00 33.01 32.16 1qsf s GLN 6 CO 0.05 -0.17 -0.04 0.95 -1.32 0.00 0.00 175.29 174.76 1qsf s THR 7 N -0.37 0.36 0.90 3.63 -4.23 -1.13 -4.71 115.64 110.08 1qsf s THR 7 Ca -0.05 -1.66 -0.15 0.00 -1.18 0.00 0.00 61.69 58.64 1qsf s THR 7 Cb -0.03 -1.32 0.21 0.00 1.34 0.00 0.00 72.50 72.70 1qsf s THR 7 CO 0.04 -0.85 1.10 -0.81 -0.54 0.00 0.00 174.62 173.56 1qsf n PRO 8 N 0.38 -1.55 -0.08 3.99 -0.04 -1.26 -0.96 135.00 135.48 1qsf n PRO 8 Ca -0.16 -1.71 -0.11 0.00 -0.04 0.00 0.00 63.50 61.48 1qsf n PRO 8 Cb 0.60 -1.24 -0.07 0.00 -0.04 0.00 0.00 33.50 32.75 1qsf n PRO 8 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1qsf h LYS 9 N 0.00 0.00 -6.28 0.54 3.11 -1.86 -3.41 116.57 108.67 1qsf h LYS 9 Ca -0.37 0.00 -0.58 0.00 -2.81 0.00 0.00 60.65 56.89 1qsf h LYS 9 Cb 1.04 0.00 -0.22 0.00 -1.00 0.00 0.00 32.23 32.05 1qsf h LYS 9 CO 0.26 0.52 -0.84 -0.06 -2.81 0.00 0.00 179.45 176.52 1qsf s PHE 10 N -2.12 1.88 -0.20 1.91 0.08 -1.26 -0.76 117.98 117.52 1qsf s PHE 10 Ca -0.17 -0.41 -0.12 0.00 0.12 0.00 0.00 56.93 56.36 1qsf s PHE 10 Cb 0.02 -1.04 0.06 0.00 -0.57 0.00 0.00 43.02 41.48 1qsf s PHE 10 CO 0.39 0.21 0.48 -1.14 -0.10 0.00 0.00 175.22 175.06 1qsf s GLN 11 N -1.81 0.49 0.01 0.44 2.00 -0.14 -4.92 119.66 115.73 1qsf s GLN 11 Ca 0.08 0.86 0.02 0.00 -2.00 0.00 0.00 55.36 54.32 1qsf s GLN 11 Cb -0.10 0.06 -0.04 0.00 0.80 0.00 0.00 33.01 33.74 1qsf s GLN 11 CO 0.04 -0.14 -0.01 0.08 -0.50 0.00 0.00 175.29 174.76 1qsf s VAL 12 N 1.26 4.06 0.21 1.34 1.01 -1.26 -2.01 120.40 125.02 1qsf s VAL 12 Ca -0.08 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.13 1qsf s VAL 12 Cb -0.07 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 1qsf s VAL 12 CO -0.12 0.36 0.39 -0.76 0.00 0.00 0.00 175.10 174.97 1qsf s LEU 13 N -1.60 0.56 -0.09 3.92 1.43 0.50 -4.93 118.68 118.47 1qsf s LEU 13 Ca 0.20 -0.92 0.02 0.00 -1.03 0.00 0.00 54.13 52.40 1qsf s LEU 13 Cb -0.11 1.49 -0.02 0.00 0.03 0.00 0.00 46.19 47.58 1qsf s LEU 13 CO 0.10 -1.03 -0.16 -1.59 0.23 0.00 0.00 176.35 173.90 1qsf s LYS 14 N -4.01 2.97 -0.08 1.70 0.00 -1.26 0.44 119.74 119.51 1qsf s LYS 14 Ca 0.22 -0.74 -0.40 0.00 0.00 0.00 0.00 55.97 55.05 1qsf s LYS 14 Cb 0.01 -2.46 -0.19 0.00 0.00 0.00 0.00 37.83 35.20 1qsf s LYS 14 CO 0.06 0.36 1.29 2.41 0.00 0.00 0.00 175.35 179.47 1qsf n THR 15 N 3.07 0.03 -0.01 3.79 -1.04 -1.10 -0.84 114.28 118.18 1qsf n THR 15 Ca -0.18 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1qsf n THR 15 Cb 0.52 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 1qsf n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qsf n GLY 16 N 2.43 0.33 3.83 3.41 0.00 0.68 -4.86 105.19 111.00 1qsf n GLY 16 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 1qsf n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qsf s GLN 17 N -0.90 4.14 -0.06 1.61 -0.21 -0.02 -4.19 119.66 120.03 1qsf s GLN 17 Ca 0.00 1.02 -0.02 0.00 0.02 0.00 0.00 55.36 56.38 1qsf s GLN 17 Cb 0.00 -2.21 -0.04 0.00 1.00 0.00 0.00 33.01 31.77 1qsf s GLN 17 CO 0.00 -0.05 0.06 -1.54 -2.12 0.00 0.00 175.29 171.63 1qsf s SER 18 N -2.38 5.60 0.04 5.90 1.04 -1.10 0.26 113.70 123.05 1qsf s SER 18 Ca 0.60 0.20 -0.19 0.00 0.48 0.00 0.00 55.95 57.04 1qsf s SER 18 Cb -0.09 -1.63 0.04 0.00 0.10 0.00 0.00 66.02 64.43 1qsf s SER 18 CO 0.17 0.34 0.43 -0.32 0.98 0.00 0.00 173.24 174.85 1qsf s MET 19 N -1.25 0.93 -0.14 4.02 0.00 -0.66 -5.01 119.30 117.19 1qsf s MET 19 Ca 0.17 -0.31 -0.01 0.00 0.00 0.00 0.00 55.69 55.54 1qsf s MET 19 Cb -0.12 0.42 0.04 0.00 0.00 0.00 0.00 34.83 35.17 1qsf s MET 19 CO 0.07 -0.32 -0.03 0.95 0.00 0.00 0.00 175.02 175.69 1qsf s THR 20 N -2.36 0.84 -0.08 10.11 -4.23 -1.26 -0.37 115.64 118.28 1qsf s THR 20 Ca -0.06 -0.36 -0.29 0.00 -1.18 0.00 0.00 61.69 59.79 1qsf s THR 20 Cb -0.01 -1.02 -0.02 0.00 1.34 0.00 0.00 72.50 72.79 1qsf s THR 20 CO -0.01 0.17 0.99 -0.76 -0.54 0.00 0.00 174.62 174.47 1qsf s LEU 21 N 1.76 4.28 0.19 4.79 1.43 0.11 -4.82 118.68 126.42 1qsf s LEU 21 Ca 0.03 1.55 -0.11 0.00 -1.03 0.00 0.00 54.13 54.56 1qsf s LEU 21 Cb -0.14 -3.55 -0.07 0.00 0.03 0.00 0.00 46.19 42.46 1qsf s LEU 21 CO -0.07 -0.40 0.54 -1.10 0.23 0.00 0.00 176.35 175.55 1qsf s GLN 22 N 1.75 3.86 -0.13 1.70 -1.52 -0.13 -0.85 119.66 124.34 1qsf s GLN 22 Ca 0.49 0.34 -0.12 0.00 -1.95 0.00 0.00 55.36 54.12 1qsf s GLN 22 Cb -0.19 -2.76 0.03 0.00 -0.22 0.00 0.00 33.01 29.87 1qsf s GLN 22 CO 0.20 0.38 0.35 0.00 -0.25 0.00 0.00 175.29 175.98 1qsf s ALA 24 N 0.16 -0.19 -0.03 0.00 0.00 -0.19 -1.84 121.76 119.67 1qsf s ALA 24 Ca -0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 51.96 51.52 1qsf s ALA 24 Cb -0.02 0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.37 1qsf s ALA 24 CO 0.01 -0.33 0.06 -1.14 0.00 0.00 0.00 175.76 174.35 1qsf s GLN 25 N -2.51 0.03 -0.49 0.00 -0.44 -0.56 -1.15 119.66 114.53 1qsf s GLN 25 Ca -0.06 0.15 0.02 0.00 -2.50 0.00 0.00 55.36 52.98 1qsf s GLN 25 Cb -0.02 -0.10 0.45 0.00 -1.64 0.00 0.00 33.01 31.71 1qsf s GLN 25 CO -0.04 -0.08 1.64 -0.40 0.50 0.00 0.00 175.29 176.91 1qsf n ASP 26 N 3.60 6.39 0.00 6.67 5.68 -1.08 -4.58 116.55 133.24 1qsf n ASP 26 Ca -0.20 -3.77 0.00 0.00 -0.50 0.00 0.00 54.79 50.32 1qsf n ASP 26 Cb 0.55 -0.68 0.00 0.00 -1.14 0.00 0.00 41.12 39.86 1qsf n ASP 26 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1qsf n MET 27 N -0.82 2.25 -3.57 0.11 2.81 -1.26 -4.86 117.12 111.77 1qsf n MET 27 Ca 0.54 -1.29 -0.24 0.00 -1.81 0.00 0.00 57.70 54.90 1qsf n MET 27 Cb 0.81 -0.96 0.08 0.00 -0.71 0.00 0.00 33.22 32.43 1qsf n MET 27 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1qsf n ASN 28 N -0.40 -6.38 -4.87 7.83 3.02 -1.26 -4.98 115.26 108.21 1qsf n ASN 28 Ca 0.00 -0.53 -0.30 0.00 -0.03 0.00 0.00 54.58 53.72 1qsf n ASN 28 Cb 0.23 -5.03 -0.04 0.00 -0.61 0.00 0.00 39.78 34.34 1qsf n ASN 28 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1qsf s HIS 29 N -3.31 3.45 -0.09 3.10 3.76 -1.26 -4.87 115.29 116.07 1qsf s HIS 29 Ca 0.58 1.01 0.11 0.00 -0.15 0.00 0.00 55.06 56.61 1qsf s HIS 29 Cb -0.25 -2.40 -0.16 0.00 1.11 0.00 0.00 32.58 30.87 1qsf s HIS 29 CO 0.71 -0.02 0.11 0.39 -0.85 0.00 0.00 174.74 175.08 1qsf n GLU 30 N -1.04 1.62 -3.45 1.40 1.02 0.21 -4.83 120.64 115.56 1qsf n GLU 30 Ca 0.02 -0.04 -0.43 0.00 -0.02 0.00 0.00 57.16 56.70 1qsf n GLU 30 Cb 0.54 -1.30 -0.04 0.00 -0.02 0.00 0.00 31.44 30.62 1qsf n GLU 30 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1qsf s TYR 31 N -2.45 3.87 0.21 -0.32 6.14 0.31 -1.78 117.35 123.34 1qsf s TYR 31 Ca -0.05 -2.51 -0.04 0.00 0.64 0.00 0.00 57.07 55.11 1qsf s TYR 31 Cb 0.05 -3.61 -0.05 0.00 0.42 0.00 0.00 41.96 38.76 1qsf s TYR 31 CO 0.49 -0.91 0.44 -1.64 0.64 0.00 0.00 175.55 174.58 1qsf s MET 32 N -0.57 3.59 0.22 4.97 -1.94 -0.01 0.33 119.30 125.90 1qsf s MET 32 Ca 0.23 -0.14 -0.07 0.00 -1.71 0.00 0.00 55.69 54.00 1qsf s MET 32 Cb -0.11 -2.78 -0.02 0.00 2.01 0.00 0.00 34.83 33.93 1qsf s MET 32 CO -0.08 0.36 0.30 -1.12 -0.01 0.00 0.00 175.02 174.46 1qsf s SER 33 N -2.91 0.04 -0.02 3.03 0.01 0.14 -0.74 113.70 113.24 1qsf s SER 33 Ca 0.41 -1.13 0.00 0.00 1.31 0.00 0.00 55.95 56.54 1qsf s SER 33 Cb -0.11 0.47 0.02 0.00 0.21 0.00 0.00 66.02 66.61 1qsf s SER 33 CO 0.28 -0.98 0.00 0.26 0.41 0.00 0.00 173.24 173.21 1qsf s TRP 34 N -4.08 0.19 0.24 2.43 0.52 -1.05 -1.25 118.94 115.94 1qsf s TRP 34 Ca 0.29 0.02 0.03 0.00 0.02 0.00 0.00 56.10 56.47 1qsf s TRP 34 Cb 0.03 -0.27 -0.05 0.00 -1.15 0.00 0.00 33.47 32.03 1qsf s TRP 34 CO 0.09 -0.08 0.01 0.71 0.02 0.00 0.00 176.95 177.71 1qsf s TYR 35 N 0.68 1.59 -0.03 -1.98 1.51 -0.07 -1.45 117.35 117.60 1qsf s TYR 35 Ca -0.06 -0.95 0.01 0.00 -1.01 0.00 0.00 57.07 55.05 1qsf s TYR 35 Cb -0.09 -0.93 0.02 0.00 -0.11 0.00 0.00 41.96 40.84 1qsf s TYR 35 CO -0.01 -0.07 -0.02 -0.98 -1.11 0.00 0.00 175.55 173.36 1qsf s ARG 36 N -3.88 0.46 -0.19 -0.62 1.70 -0.87 -1.94 118.95 113.62 1qsf s ARG 36 Ca 0.30 -0.03 -0.05 0.00 -0.47 0.00 0.00 55.73 55.48 1qsf s ARG 36 Cb 0.06 -0.55 -0.03 0.00 -0.57 0.00 0.00 34.95 33.86 1qsf s ARG 36 CO 0.10 -0.07 -0.00 -1.14 -1.08 0.00 0.00 175.30 173.11 1qsf s GLN 37 N 0.73 3.67 0.03 3.89 0.74 0.39 -2.72 119.66 126.40 1qsf s GLN 37 Ca -0.08 -0.50 0.06 0.00 0.05 0.00 0.00 55.36 54.88 1qsf s GLN 37 Cb -0.11 -3.05 -0.02 0.00 1.10 0.00 0.00 33.01 30.92 1qsf s GLN 37 CO -0.01 0.10 -0.16 -0.51 -0.55 0.00 0.00 175.29 174.15 1qsf s ASP 38 N 0.78 1.96 0.30 6.67 1.11 -1.15 -3.43 116.67 122.91 1qsf s ASP 38 Ca 0.00 -0.46 0.04 0.00 0.18 0.00 0.00 52.55 52.32 1qsf s ASP 38 Cb -0.14 -0.15 0.80 0.00 1.07 0.00 0.00 42.92 44.49 1qsf s ASP 38 CO 0.02 0.10 1.63 1.55 1.18 0.00 0.00 175.17 179.64 1qsf h PRO 39 N 5.01 0.15 0.00 8.23 0.13 -1.99 0.77 132.00 144.30 1qsf h PRO 39 Ca -0.39 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1qsf h PRO 39 Cb 1.17 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1qsf h PRO 39 CO 0.44 0.10 -0.13 0.78 -0.23 0.00 0.00 178.00 178.97 1qsf h GLY 40 N 0.16 0.00 0.00 1.56 0.00 -2.04 -3.38 103.07 99.37 1qsf h GLY 40 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.93 1qsf h GLY 40 CO -0.71 0.00 -0.23 1.03 0.00 0.00 0.00 176.54 176.63 1qsf n MET 41 N -2.68 4.70 0.00 4.80 2.81 -0.71 -5.12 117.12 120.91 1qsf n MET 41 Ca 0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 1qsf n MET 41 Cb 0.49 -0.56 0.00 0.00 -0.71 0.00 0.00 33.22 32.43 1qsf n MET 41 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qsf n GLY 42 N 1.21 -0.12 3.76 3.03 0.00 0.18 -4.75 105.19 108.49 1qsf n GLY 42 Ca 0.00 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 1qsf n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qsf s LEU 43 N 0.00 4.50 -0.09 0.99 1.43 -1.26 -2.93 118.68 121.32 1qsf s LEU 43 Ca 0.00 2.29 -0.03 0.00 -1.03 0.00 0.00 54.13 55.36 1qsf s LEU 43 Cb 0.00 -3.68 0.05 0.00 0.03 0.00 0.00 46.19 42.59 1qsf s LEU 43 CO 0.00 -0.22 0.17 -0.13 0.23 0.00 0.00 176.35 176.41 1qsf s ARG 44 N -1.57 0.07 0.34 1.70 0.52 -1.10 -4.99 118.95 113.92 1qsf s ARG 44 Ca 0.46 0.53 -0.28 0.00 -0.52 0.00 0.00 55.73 55.92 1qsf s ARG 44 Cb -0.32 -0.22 -0.10 0.00 0.52 0.00 0.00 34.95 34.84 1qsf s ARG 44 CO 0.41 -0.26 1.25 -1.17 0.02 0.00 0.00 175.30 175.55 1qsf s LEU 45 N 1.98 4.39 -0.07 2.53 2.96 -1.26 -2.05 118.68 127.16 1qsf s LEU 45 Ca -0.01 2.56 -0.11 0.00 -0.22 0.00 0.00 54.13 56.36 1qsf s LEU 45 Cb -0.12 -3.73 -0.04 0.00 0.50 0.00 0.00 46.19 42.80 1qsf s LEU 45 CO -0.06 -0.53 -0.21 -0.38 -1.32 0.00 0.00 176.35 173.85 1qsf n ILE 46 N 0.67 1.37 -4.22 6.68 5.41 -0.53 -1.58 119.36 127.15 1qsf n ILE 46 Ca 0.01 0.25 -0.13 0.00 1.00 0.00 0.00 62.75 63.88 1qsf n ILE 46 Cb 0.43 -2.03 -0.10 0.00 -0.71 0.00 0.00 39.64 37.23 1qsf n ILE 46 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1qsf s HIS 47 N -2.52 1.26 -0.23 1.39 3.76 -1.24 -0.78 115.29 116.93 1qsf s HIS 47 Ca -0.17 -1.38 -0.27 0.00 -0.15 0.00 0.00 55.06 53.09 1qsf s HIS 47 Cb 0.02 -0.62 0.12 0.00 1.11 0.00 0.00 32.58 33.22 1qsf s HIS 47 CO 0.25 -0.62 1.02 1.52 -0.85 0.00 0.00 174.74 176.06 1qsf s TYR 48 N -4.05 -0.43 -0.02 1.40 1.13 -0.65 -2.54 117.35 112.19 1qsf s TYR 48 Ca 0.39 0.95 0.03 0.00 -1.41 0.00 0.00 57.07 57.03 1qsf s TYR 48 Cb 0.07 0.40 -0.00 0.00 -1.10 0.00 0.00 41.96 41.32 1qsf s TYR 48 CO 0.13 -0.27 -0.12 0.45 -2.51 0.00 0.00 175.55 173.23 1qsf s SER 49 N -0.29 1.53 0.04 -0.18 0.15 0.08 -1.64 113.70 113.39 1qsf s SER 49 Ca 0.01 -0.24 0.22 0.00 0.70 0.00 0.00 55.95 56.65 1qsf s SER 49 Cb -0.03 -0.31 -0.07 0.00 -1.71 0.00 0.00 66.02 63.89 1qsf s SER 49 CO -0.03 0.12 0.90 1.33 1.20 0.00 0.00 173.24 176.76 1qsf n VAL 50 N 3.04 0.14 -3.31 4.45 0.24 -1.25 -0.83 118.33 120.81 1qsf n VAL 50 Ca -0.16 -0.28 -0.01 0.00 -2.04 0.00 0.00 64.34 61.84 1qsf n VAL 50 Cb 0.54 0.24 0.01 0.00 -1.47 0.00 0.00 33.84 33.16 1qsf n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qsf n GLY 51 N 1.35 1.54 3.75 7.63 0.00 -0.74 -3.44 105.19 115.29 1qsf n GLY 51 Ca 0.01 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 1qsf n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qsf s ALA 52 N -1.23 3.41 0.00 4.61 0.00 -1.26 -3.06 121.76 124.23 1qsf s ALA 52 Ca 0.04 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1qsf s ALA 52 Cb -0.01 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1qsf s ALA 52 CO 0.02 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1qsf n GLY 53 N 1.43 0.58 3.48 0.00 0.00 0.14 -4.98 105.19 105.84 1qsf n GLY 53 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1qsf n GLY 53 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qsf s ILE 54 N -2.67 3.81 -0.07 -0.61 1.01 -1.17 -4.99 121.20 116.51 1qsf s ILE 54 Ca 0.00 -0.39 -0.15 0.00 0.00 0.00 0.00 60.65 60.11 1qsf s ILE 54 Cb 0.00 -2.67 0.03 0.00 0.01 0.00 0.00 42.46 39.84 1qsf s ILE 54 CO 0.00 0.50 0.36 0.28 0.00 0.00 0.00 174.94 176.08 1qsf s THR 55 N 0.37 0.03 -0.09 2.92 -1.32 -1.26 -4.33 115.64 111.96 1qsf s THR 55 Ca -0.05 -0.25 -0.25 0.00 -1.21 0.00 0.00 61.69 59.93 1qsf s THR 55 Cb -0.14 -0.61 0.06 0.00 -1.51 0.00 0.00 72.50 70.30 1qsf s THR 55 CO 0.03 -0.14 0.58 -0.62 -2.21 0.00 0.00 174.62 172.26 1qsf s ASP 56 N -0.69 -0.55 0.77 8.08 2.15 -0.65 -5.00 116.67 120.77 1qsf s ASP 56 Ca -0.08 0.71 -0.15 0.00 0.43 0.00 0.00 52.55 53.46 1qsf s ASP 56 Cb -0.04 0.67 0.01 0.00 -0.30 0.00 0.00 42.92 43.26 1qsf s ASP 56 CO 0.03 -0.47 0.83 1.67 -0.17 0.00 0.00 175.17 177.06 1qsf n GLN 57 N 1.45 0.28 0.00 4.34 7.27 -1.26 -1.64 117.38 127.83 1qsf n GLN 57 Ca -0.18 0.15 0.00 0.00 0.07 0.00 0.00 57.00 57.04 1qsf n GLN 57 Cb 0.56 -2.12 0.00 0.00 2.41 0.00 0.00 30.24 31.10 1qsf n GLN 57 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1qsf n GLY 58 N 1.17 5.15 0.18 1.69 0.00 0.04 -4.71 105.19 108.71 1qsf n GLY 58 Ca 0.12 -1.65 0.13 0.00 0.00 0.00 0.00 46.02 44.61 1qsf n GLY 58 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1qsf h GLU 59 N 0.00 0.00 -0.73 1.61 4.81 -1.48 -3.37 114.58 115.42 1qsf h GLU 59 Ca 0.00 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.91 1qsf h GLU 59 Cb 0.00 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 29.12 1qsf h GLU 59 CO 0.00 0.00 -0.76 1.33 -0.73 0.00 0.00 179.01 178.85 1qsf n VAL 60 N -2.73 0.09 1.12 0.32 0.24 -0.85 -4.99 118.33 111.53 1qsf n VAL 60 Ca 0.04 -2.64 0.10 0.00 -2.04 0.00 0.00 64.34 59.80 1qsf n VAL 60 Cb 0.43 0.77 0.55 0.00 -1.47 0.00 0.00 33.84 34.12 1qsf n VAL 60 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1qsf n PRO 61 N 0.10 0.50 -2.58 7.34 -0.04 -1.23 -4.70 135.00 134.39 1qsf n PRO 61 Ca 0.10 0.04 -0.43 0.00 -0.04 0.00 0.00 63.50 63.17 1qsf n PRO 61 Cb 0.73 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.67 1qsf n PRO 61 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1qsf s ASN 62 N -2.19 6.53 0.00 3.54 2.47 -1.26 -3.05 114.94 120.98 1qsf s ASN 62 Ca 0.26 0.29 0.00 0.00 0.42 0.00 0.00 52.86 53.83 1qsf s ASN 62 Cb 0.13 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.38 1qsf s ASN 62 CO 0.25 -1.38 0.00 0.61 -3.72 0.00 0.00 177.10 172.86 1qsf n GLY 63 N 4.97 1.22 3.02 1.21 0.00 -1.26 -5.11 105.19 109.24 1qsf n GLY 63 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 1qsf n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qsf s TYR 65 N -2.00 0.67 0.44 1.61 2.02 -1.17 -4.43 117.35 114.49 1qsf s TYR 65 Ca 0.00 -0.25 0.06 0.00 -0.37 0.00 0.00 57.07 56.50 1qsf s TYR 65 Cb 0.00 -0.41 -0.06 0.00 -0.40 0.00 0.00 41.96 41.09 1qsf s TYR 65 CO 0.00 -0.03 0.04 1.21 -1.57 0.00 0.00 175.55 175.20 1qsf s ASN 66 N -0.69 4.03 -0.24 2.29 2.47 -0.37 -4.96 114.94 117.47 1qsf s ASN 66 Ca -0.01 -1.40 -0.27 0.00 0.42 0.00 0.00 52.86 51.59 1qsf s ASN 66 Cb -0.05 -0.15 0.13 0.00 -1.45 0.00 0.00 41.25 39.72 1qsf s ASN 66 CO 0.00 -0.58 1.04 0.54 -3.72 0.00 0.00 177.10 174.38 1qsf s VAL 67 N -2.74 0.00 0.32 -5.21 0.11 -1.26 -2.00 120.40 109.62 1qsf s VAL 67 Ca 0.28 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.38 1qsf s VAL 67 Cb 0.07 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.85 1qsf s VAL 67 CO 0.15 0.00 0.02 -0.44 -3.33 0.00 0.00 175.10 171.50 1qsf s SER 68 N -0.28 2.65 -0.46 3.54 0.01 -1.22 -5.01 113.70 112.93 1qsf s SER 68 Ca 0.02 -1.33 0.06 0.00 1.31 0.00 0.00 55.95 56.01 1qsf s SER 68 Cb -0.03 -0.15 0.31 0.00 0.21 0.00 0.00 66.02 66.36 1qsf s SER 68 CO -0.04 -0.52 1.04 -1.14 0.41 0.00 0.00 173.24 173.00 1qsf n ARG 69 N -0.69 0.97 -0.10 12.44 3.00 -1.26 -4.13 116.66 126.89 1qsf n ARG 69 Ca -0.03 -2.02 -0.12 0.00 -0.00 0.00 0.00 57.85 55.67 1qsf n ARG 69 Cb 0.66 -1.16 -0.04 0.00 0.00 0.00 0.00 32.46 31.92 1qsf n ARG 69 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1qsf h SER 70 N 3.19 0.67 -1.72 6.15 4.64 -1.95 0.41 113.55 124.94 1qsf h SER 70 Ca -0.09 -0.41 -0.52 0.00 -0.47 0.00 0.00 61.79 60.30 1qsf h SER 70 Cb 1.07 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 62.93 1qsf h SER 70 CO 0.20 0.93 -0.46 -0.89 -0.87 0.00 0.00 176.83 175.74 1qsf s THR 71 N -4.59 2.96 -1.00 2.95 2.01 -1.26 -4.58 115.64 112.12 1qsf s THR 71 Ca -0.13 -1.49 0.26 0.00 0.31 0.00 0.00 61.69 60.64 1qsf s THR 71 Cb 0.09 -3.05 0.07 0.00 0.01 0.00 0.00 72.50 69.62 1qsf s THR 71 CO 0.80 -0.10 1.56 1.07 -0.69 0.00 0.00 174.62 177.27 1qsf n THR 72 N -1.35 0.00 -0.01 -0.82 5.66 -1.26 -3.96 114.28 112.55 1qsf n THR 72 Ca -0.00 -0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.06 1qsf n THR 72 Cb 0.61 0.04 -0.14 0.00 -1.55 0.00 0.00 70.33 69.29 1qsf n THR 72 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1qsf n GLU 73 N -1.50 0.65 -4.53 1.09 4.71 -1.26 -4.74 120.64 115.07 1qsf n GLU 73 Ca 0.06 -0.08 -0.30 0.00 -0.01 0.00 0.00 57.16 56.83 1qsf n GLU 73 Cb 0.34 -1.59 -0.13 0.00 -1.01 0.00 0.00 31.44 29.05 1qsf n GLU 73 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1qsf s ASP 74 N -4.92 3.56 -0.45 1.62 1.01 -1.25 -1.49 116.67 114.74 1qsf s ASP 74 Ca -0.07 -0.59 0.06 0.00 0.71 0.00 0.00 52.55 52.66 1qsf s ASP 74 Cb 0.11 -0.42 0.19 0.00 1.01 0.00 0.00 42.92 43.82 1qsf s ASP 74 CO 0.87 0.21 0.55 0.33 0.21 0.00 0.00 175.17 177.34 1qsf n PHE 75 N 1.19 -2.07 -2.19 4.23 7.35 -0.77 -4.48 117.46 120.72 1qsf n PHE 75 Ca -0.17 -2.54 -0.43 0.00 -0.76 0.00 0.00 57.45 53.56 1qsf n PHE 75 Cb 0.52 0.72 -0.02 0.00 0.35 0.00 0.00 39.48 41.05 1qsf n PHE 75 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 1qsf s PRO 76 N 0.23 3.88 -0.02 -7.13 0.02 -1.26 -4.17 135.00 126.55 1qsf s PRO 76 Ca 0.32 1.62 -0.21 0.00 0.02 0.00 0.00 61.00 62.75 1qsf s PRO 76 Cb 0.06 -3.98 -0.05 0.00 0.02 0.00 0.00 34.50 30.55 1qsf s PRO 76 CO -0.14 -1.18 0.63 -1.17 -0.33 0.00 0.00 177.00 174.81 1qsf s LEU 77 N 4.81 4.40 -0.10 -5.54 2.96 -0.03 -3.43 118.68 121.74 1qsf s LEU 77 Ca 0.67 1.18 0.03 0.00 -0.22 0.00 0.00 54.13 55.79 1qsf s LEU 77 Cb -0.24 -2.97 0.01 0.00 0.50 0.00 0.00 46.19 43.49 1qsf s LEU 77 CO 0.27 0.05 -0.20 -0.13 -1.32 0.00 0.00 176.35 175.02 1qsf s ARG 78 N 0.04 2.66 -0.32 1.98 0.52 -0.85 0.07 118.95 123.05 1qsf s ARG 78 Ca 0.33 -0.74 -0.09 0.00 -0.52 0.00 0.00 55.73 54.71 1qsf s ARG 78 Cb -0.18 -2.09 0.00 0.00 0.52 0.00 0.00 34.95 33.20 1qsf s ARG 78 CO 0.18 0.08 0.15 -0.51 0.02 0.00 0.00 175.30 175.21 1qsf s LEU 79 N 0.60 4.18 0.00 2.53 1.43 0.50 -1.24 118.68 126.67 1qsf s LEU 79 Ca -0.14 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 1qsf s LEU 79 Cb -0.17 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.06 1qsf s LEU 79 CO 0.04 -0.22 0.50 0.18 0.23 0.00 0.00 176.35 177.08 1qsf n LEU 80 N 4.97 0.17 -4.06 1.79 4.77 -1.26 -1.65 117.00 121.72 1qsf n LEU 80 Ca -0.14 0.71 -0.33 0.00 -0.03 0.00 0.00 56.01 56.23 1qsf n LEU 80 Cb 0.48 -0.44 -0.14 0.00 -2.33 0.00 0.00 43.42 40.99 1qsf n LEU 80 CO 0.34 -0.44 -0.33 -0.94 -1.33 0.00 0.00 177.39 174.69 1qsf s SER 81 N -2.35 4.81 0.76 -1.43 1.04 -1.26 -2.73 113.70 112.54 1qsf s SER 81 Ca 0.00 -1.91 -0.17 0.00 0.48 0.00 0.00 55.95 54.35 1qsf s SER 81 Cb 0.00 -1.66 -0.12 0.00 0.10 0.00 0.00 66.02 64.34 1qsf s SER 81 CO 0.00 -0.36 -0.24 0.00 0.98 0.00 0.00 173.24 173.61 1qsf n ALA 82 N 4.38 -3.71 -3.15 5.32 0.00 0.14 -4.41 120.51 119.08 1qsf n ALA 82 Ca -0.02 -0.36 -0.12 0.00 0.00 0.00 0.00 53.44 52.94 1qsf n ALA 82 Cb 0.42 -1.40 -0.10 0.00 0.00 0.00 0.00 19.45 18.36 1qsf n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qsf s ALA 83 N -2.00 -0.58 0.63 0.00 0.00 -1.26 -0.23 121.76 118.32 1qsf s ALA 83 Ca 0.52 0.37 0.29 0.00 0.00 0.00 0.00 51.96 53.14 1qsf s ALA 83 Cb -0.33 -0.14 1.56 0.00 0.00 0.00 0.00 23.12 24.21 1qsf s ALA 83 CO 0.71 -0.18 1.92 -1.35 0.00 0.00 0.00 175.76 176.86 1qsf h PRO 84 N 4.85 0.00 0.00 0.00 0.11 -1.96 0.11 132.00 135.11 1qsf h PRO 84 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1qsf h PRO 84 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1qsf h PRO 84 CO 0.38 0.00 -0.31 0.66 -0.21 0.00 0.00 178.00 178.51 1qsf h SER 85 N 0.00 0.00 0.37 -2.05 4.64 -1.96 -3.22 113.55 111.33 1qsf h SER 85 Ca 0.08 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qsf h SER 85 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1qsf h SER 85 CO -0.00 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 1qsf n GLN 86 N -2.34 0.30 -2.02 4.77 1.13 0.39 -4.70 117.38 114.91 1qsf n GLN 86 Ca 0.04 0.09 -0.43 0.00 -1.94 0.00 0.00 57.00 54.76 1qsf n GLN 86 Cb 0.45 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.28 1qsf n GLN 86 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1qsf s THR 87 N -2.55 3.50 0.00 5.09 2.01 -1.22 -4.85 115.64 117.62 1qsf s THR 87 Ca 0.20 0.51 0.00 0.00 0.31 0.00 0.00 61.69 62.70 1qsf s THR 87 Cb 0.14 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.97 1qsf s THR 87 CO 0.31 -0.44 0.00 -0.24 -0.69 0.00 0.00 174.62 173.56 1qsf n SER 88 N 10.20 0.00 -4.40 3.53 2.88 -0.95 -5.01 113.62 119.88 1qsf n SER 88 Ca 0.22 -0.72 -0.33 0.00 -1.33 0.00 0.00 58.87 56.71 1qsf n SER 88 Cb 0.47 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.79 1qsf n SER 88 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1qsf s VAL 89 N -2.40 3.29 -0.19 2.46 1.01 -1.22 -1.53 120.40 121.81 1qsf s VAL 89 Ca 0.00 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 1qsf s VAL 89 Cb 0.00 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 1qsf s VAL 89 CO 0.00 0.51 -0.00 -0.31 0.00 0.00 0.00 175.10 175.30 1qsf s TYR 90 N 0.42 3.04 -0.13 5.22 1.51 0.79 -0.46 117.35 127.73 1qsf s TYR 90 Ca -0.08 -0.43 0.01 0.00 -1.01 0.00 0.00 57.07 55.56 1qsf s TYR 90 Cb -0.15 -2.07 -0.00 0.00 -0.11 0.00 0.00 41.96 39.63 1qsf s TYR 90 CO 0.04 -0.21 -0.18 -0.06 -1.11 0.00 0.00 175.55 174.04 1qsf s PHE 91 N 0.91 2.72 -0.15 2.71 0.08 -0.82 -0.24 117.98 123.19 1qsf s PHE 91 Ca 0.01 -0.97 -0.07 0.00 0.12 0.00 0.00 56.93 56.03 1qsf s PHE 91 Cb -0.14 -1.82 -0.04 0.00 -0.57 0.00 0.00 43.02 40.44 1qsf s PHE 91 CO 0.02 -0.40 0.07 0.00 -0.10 0.00 0.00 175.22 174.81 1qsf s ALA 93 N -0.14 1.71 0.04 0.00 0.00 -0.38 0.07 121.76 123.06 1qsf s ALA 93 Ca 0.08 -1.61 -0.03 0.00 0.00 0.00 0.00 51.96 50.40 1qsf s ALA 93 Cb -0.12 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 1qsf s ALA 93 CO 0.01 -0.08 0.03 -1.54 0.00 0.00 0.00 175.76 174.18 1qsf s SER 94 N -3.25 0.28 0.02 0.00 1.04 -0.62 0.26 113.70 111.44 1qsf s SER 94 Ca 0.21 -0.66 -0.01 0.00 0.48 0.00 0.00 55.95 55.96 1qsf s SER 94 Cb 0.02 0.19 -0.02 0.00 0.10 0.00 0.00 66.02 66.32 1qsf s SER 94 CO 0.04 -0.49 -0.01 -0.60 0.98 0.00 0.00 173.24 173.16 1qsf s ARG 95 N -2.76 0.34 0.09 4.02 3.52 0.15 -2.17 118.95 122.14 1qsf s ARG 95 Ca -0.04 -0.59 -0.31 0.00 -0.13 0.00 0.00 55.73 54.66 1qsf s ARG 95 Cb -0.00 0.12 -0.14 0.00 -1.56 0.00 0.00 34.95 33.37 1qsf s ARG 95 CO -0.06 -0.06 1.62 -1.00 -0.81 0.00 0.00 175.30 174.99 1qsf h PRO 96 N 4.58 -0.72 0.00 5.12 0.13 -1.84 0.10 132.00 139.37 1qsf h PRO 96 Ca -0.32 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1qsf h PRO 96 Cb 1.21 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1qsf h PRO 96 CO 0.41 -0.48 0.00 0.41 -0.23 0.00 0.00 178.00 178.11 1qsf n GLY 97 N -1.46 1.19 0.53 1.56 0.00 -1.26 0.65 105.19 106.41 1qsf n GLY 97 Ca -0.10 -0.99 0.14 0.00 0.00 0.00 0.00 46.02 45.06 1qsf n GLY 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qsf n LEU 98 N 0.00 1.64 0.26 0.99 4.32 -1.26 -4.16 117.00 118.79 1qsf n LEU 98 Ca 0.00 -0.56 0.13 0.00 -0.02 0.00 0.00 56.01 55.56 1qsf n LEU 98 Cb 0.00 -0.01 0.64 0.00 -1.62 0.00 0.00 43.42 42.44 1qsf n LEU 98 CO 0.00 0.28 0.92 0.00 -1.22 0.00 0.00 177.39 177.37 1qsf h ALA 99 N 4.37 1.09 0.00 -1.18 0.00 -1.90 -3.49 119.26 118.15 1qsf h ALA 99 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1qsf h ALA 99 Cb 0.54 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1qsf h ALA 99 CO 0.00 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.82 1qsf n GLY 100 N -0.21 -0.79 0.00 0.00 0.00 -1.26 -5.12 105.19 97.81 1qsf n GLY 100 Ca -0.01 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1qsf n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qsf n GLY 101 N -0.36 0.05 3.67 -0.02 0.00 -1.26 -4.90 105.19 102.36 1qsf n GLY 101 Ca 0.00 -2.27 -0.45 0.00 0.00 0.00 0.00 46.02 43.30 1qsf n GLY 101 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1qsf n ARG 102 N 0.00 2.54 0.00 1.61 3.00 -1.26 -4.80 116.66 117.75 1qsf n ARG 102 Ca 0.00 0.93 0.00 0.00 -0.00 0.00 0.00 57.85 58.78 1qsf n ARG 102 Cb 0.00 -2.83 0.00 0.00 0.00 0.00 0.00 32.46 29.63 1qsf n ARG 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1qsf n PRO 103 N 7.07 0.33 -2.94 -0.14 -0.04 -1.26 -4.70 135.00 133.32 1qsf n PRO 103 Ca 0.21 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.27 1qsf n PRO 103 Cb 0.35 -1.25 -0.05 0.00 -0.04 0.00 0.00 33.50 32.51 1qsf n PRO 103 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1qsf s GLU 105 N -0.17 4.57 -0.15 0.54 2.02 -1.26 -4.98 118.70 119.27 1qsf s GLU 105 Ca 0.00 1.17 -0.06 0.00 0.02 0.00 0.00 54.97 56.10 1qsf s GLU 105 Cb 0.00 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.87 1qsf s GLU 105 CO 0.00 0.39 0.07 -1.14 0.02 0.00 0.00 175.26 174.61 1qsf s GLN 106 N -0.52 3.69 -0.09 1.61 0.74 -1.26 -4.55 119.66 119.27 1qsf s GLN 106 Ca 0.39 -0.30 0.03 0.00 0.05 0.00 0.00 55.36 55.53 1qsf s GLN 106 Cb -0.22 -3.15 -0.01 0.00 1.10 0.00 0.00 33.01 30.73 1qsf s GLN 106 CO 0.26 0.47 -0.19 0.71 -0.55 0.00 0.00 175.29 175.99 1qsf s TYR 107 N -0.18 2.64 0.24 1.67 2.02 -0.92 -4.97 117.35 117.84 1qsf s TYR 107 Ca 0.08 -0.71 -0.09 0.00 -0.37 0.00 0.00 57.07 55.99 1qsf s TYR 107 Cb -0.12 -1.72 -0.07 0.00 -0.40 0.00 0.00 41.96 39.65 1qsf s TYR 107 CO 0.01 -0.22 0.55 -0.06 -1.57 0.00 0.00 175.55 174.27 1qsf s PHE 108 N 0.08 3.44 0.41 2.71 0.40 -1.26 -1.59 117.98 122.16 1qsf s PHE 108 Ca -0.08 0.82 -0.01 0.00 -0.60 0.00 0.00 56.93 57.06 1qsf s PHE 108 Cb -0.15 -2.23 -0.03 0.00 0.51 0.00 0.00 43.02 41.12 1qsf s PHE 108 CO 0.05 0.24 0.64 0.20 0.70 0.00 0.00 175.22 177.06 1qsf s GLY 109 N -2.55 1.43 0.64 4.36 0.00 0.11 -4.74 107.32 106.58 1qsf s GLY 109 Ca 0.47 -0.85 0.29 0.00 0.00 0.00 0.00 44.72 44.62 1qsf s GLY 109 CO 0.23 -0.73 1.89 -0.56 0.00 0.00 0.00 173.10 173.93 1qsf h PRO 110 N 0.52 0.00 0.00 2.90 0.13 -1.87 -3.41 132.00 130.27 1qsf h PRO 110 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1qsf h PRO 110 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1qsf h PRO 110 CO 0.60 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.78 1qsf n GLY 111 N -1.33 -1.80 3.06 1.56 0.00 -1.26 -5.01 105.19 100.41 1qsf n GLY 111 Ca 0.02 -1.53 -0.17 0.00 0.00 0.00 0.00 46.02 44.33 1qsf n GLY 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qsf s THR 112 N -2.93 0.75 -0.11 2.61 -4.23 0.67 -4.77 115.64 107.63 1qsf s THR 112 Ca 0.00 -0.70 -0.03 0.00 -1.18 0.00 0.00 61.69 59.78 1qsf s THR 112 Cb 0.00 -0.69 -0.03 0.00 1.34 0.00 0.00 72.50 73.12 1qsf s THR 112 CO 0.00 0.00 -0.01 -0.60 -0.54 0.00 0.00 174.62 173.48 1qsf s ARG 113 N -0.78 3.27 -0.04 3.99 3.52 0.06 -0.15 118.95 128.82 1qsf s ARG 113 Ca -0.00 -0.44 -0.00 0.00 -0.13 0.00 0.00 55.73 55.16 1qsf s ARG 113 Cb -0.06 -2.86 0.03 0.00 -1.56 0.00 0.00 34.95 30.50 1qsf s ARG 113 CO 0.00 0.53 0.01 -1.17 -0.81 0.00 0.00 175.30 173.86 1qsf s LEU 114 N -0.40 0.92 -0.19 -0.88 0.20 -0.58 -0.97 118.68 116.78 1qsf s LEU 114 Ca 0.07 -0.03 0.01 0.00 0.69 0.00 0.00 54.13 54.87 1qsf s LEU 114 Cb -0.12 -0.27 0.03 0.00 -0.43 0.00 0.00 46.19 45.39 1qsf s LEU 114 CO 0.02 -0.14 -0.18 -0.89 -0.29 0.00 0.00 176.35 174.87 1qsf s THR 115 N 1.36 2.10 0.12 3.68 2.01 -0.85 -2.23 115.64 121.84 1qsf s THR 115 Ca -0.05 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 60.93 1qsf s THR 115 Cb -0.13 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 1qsf s THR 115 CO -0.02 0.46 0.27 -0.69 -0.69 0.00 0.00 174.62 173.94 1qsf s VAL 116 N 1.27 5.33 -0.21 3.82 1.01 -1.26 -0.37 120.40 129.99 1qsf s VAL 116 Ca 0.03 -0.51 -0.16 0.00 0.00 0.00 0.00 61.98 61.34 1qsf s VAL 116 Cb -0.14 -3.69 0.06 0.00 0.00 0.00 0.00 36.38 32.60 1qsf s VAL 116 CO -0.12 -0.01 0.53 -0.89 0.00 0.00 0.00 175.10 174.61 1qsf s THR 116 N -1.66 -0.01 0.20 3.92 2.01 0.17 -4.82 115.64 115.45 1qsf s THR 116 Ca 0.35 0.02 -0.12 0.00 0.31 0.00 0.00 61.69 62.26 1qsf s THR 116 Cb -0.12 -0.75 0.13 0.00 0.01 0.00 0.00 72.50 71.78 1qsf s THR 116 CO 0.28 0.01 1.71 -0.33 -0.69 0.00 0.00 174.62 175.60 1qsf h GLU 117 N 6.06 0.23 -4.84 4.92 5.08 -1.95 -2.91 114.58 121.18 1qsf h GLU 117 Ca -0.30 -0.01 -0.66 0.00 -1.00 0.00 0.00 59.36 57.38 1qsf h GLU 117 Cb 1.19 -0.05 -0.37 0.00 0.50 0.00 0.00 28.75 30.02 1qsf h GLU 117 CO 0.20 0.15 -0.81 0.34 -1.00 0.00 0.00 179.01 177.89 1qsf s ASP 118 N -5.30 4.06 -0.36 1.42 -1.08 -1.26 -4.51 116.67 109.63 1qsf s ASP 118 Ca -0.13 -1.20 -0.18 0.00 -0.52 0.00 0.00 52.55 50.53 1qsf s ASP 118 Cb 0.17 -1.48 -0.18 0.00 -1.46 0.00 0.00 42.92 39.96 1qsf s ASP 118 CO 0.73 -0.15 1.64 -0.11 0.52 0.00 0.00 175.17 177.80 1qsf n LEU 119 N 4.51 2.28 0.00 -1.34 7.94 -1.26 -3.50 117.00 125.63 1qsf n LEU 119 Ca -0.15 -2.01 0.00 0.00 -1.11 0.00 0.00 56.01 52.74 1qsf n LEU 119 Cb 0.44 -0.77 0.00 0.00 0.53 0.00 0.00 43.42 43.62 1qsf n LEU 119 CO 0.22 -0.96 -0.21 0.29 -1.11 0.00 0.00 177.39 175.62 1qsf n LYS 120 N 6.46 0.00 -0.02 1.96 4.76 -1.26 -4.81 118.16 125.25 1qsf n LYS 120 Ca 0.37 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.81 1qsf n LYS 120 Cb 0.28 -0.31 0.00 0.00 -1.84 0.00 0.00 35.03 33.16 1qsf n LYS 120 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1qsf n ASN 121 N -2.56 0.24 -1.79 4.39 3.02 -1.23 -3.98 115.26 113.36 1qsf n ASN 121 Ca 0.00 -0.67 -0.16 0.00 -0.03 0.00 0.00 54.58 53.72 1qsf n ASN 121 Cb 0.21 -0.05 0.10 0.00 -0.61 0.00 0.00 39.78 39.43 1qsf n ASN 121 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1qsf n VAL 122 N 1.56 2.44 -1.02 2.41 0.31 -1.25 -4.26 118.33 118.51 1qsf n VAL 122 Ca 0.00 -1.29 -0.47 0.00 -0.01 0.00 0.00 64.34 62.57 1qsf n VAL 122 Cb 0.03 -0.78 -0.09 0.00 -0.91 0.00 0.00 33.84 32.09 1qsf n VAL 122 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1qsf n PHE 123 N -0.41 0.97 -1.98 3.52 3.01 -0.84 -4.56 117.46 117.17 1qsf n PHE 123 Ca 0.37 0.64 -0.28 0.00 1.01 0.00 0.00 57.45 59.18 1qsf n PHE 123 Cb 1.11 -1.76 0.08 0.00 -0.01 0.00 0.00 39.48 38.91 1qsf n PHE 123 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1qsf s PRO 124 N 4.27 2.05 0.65 -1.08 0.04 -1.26 -0.57 135.00 139.10 1qsf s PRO 124 Ca 0.91 0.03 -0.11 0.00 0.04 0.00 0.00 61.00 61.87 1qsf s PRO 124 Cb -1.16 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 31.35 1qsf s PRO 124 CO 0.53 -1.49 1.04 -1.25 0.04 0.00 0.00 177.00 175.87 1qsf s PRO 125 N -5.49 3.32 -0.41 0.56 0.04 -1.26 -4.09 135.00 127.66 1qsf s PRO 125 Ca 0.61 0.84 0.04 0.00 0.04 0.00 0.00 61.00 62.53 1qsf s PRO 125 Cb -0.11 -2.04 0.11 0.00 0.04 0.00 0.00 34.50 32.50 1qsf s PRO 125 CO 0.48 -0.80 0.14 -1.21 0.04 0.00 0.00 177.00 175.66 1qsf s GLU 126 N -5.11 1.63 0.40 4.56 2.02 -0.74 -4.87 118.70 116.60 1qsf s GLU 126 Ca 0.56 -2.14 -0.23 0.00 0.02 0.00 0.00 54.97 53.18 1qsf s GLU 126 Cb -0.12 -3.16 -0.10 0.00 0.10 0.00 0.00 34.13 30.84 1qsf s GLU 126 CO 0.54 -1.02 0.96 0.08 0.02 0.00 0.00 175.26 175.84 1qsf s VAL 127 N 0.44 4.28 -0.23 2.63 1.01 -1.26 -2.68 120.40 124.60 1qsf s VAL 127 Ca 0.14 1.58 -0.11 0.00 0.00 0.00 0.00 61.98 63.59 1qsf s VAL 127 Cb -0.22 -3.73 0.09 0.00 0.00 0.00 0.00 36.38 32.51 1qsf s VAL 127 CO -0.05 -0.15 0.53 0.00 0.00 0.00 0.00 175.10 175.43 1qsf s ALA 128 N -1.97 -1.48 -0.06 5.51 0.00 -0.75 -4.68 121.76 118.33 1qsf s ALA 128 Ca 0.58 1.91 -0.10 0.00 0.00 0.00 0.00 51.96 54.35 1qsf s ALA 128 Cb -0.13 -1.32 -0.05 0.00 0.00 0.00 0.00 23.12 21.62 1qsf s ALA 128 CO 0.17 -0.55 0.26 0.08 0.00 0.00 0.00 175.76 175.73 1qsf s VAL 129 N 2.06 5.29 -0.14 0.00 1.01 -1.26 -1.19 120.40 126.17 1qsf s VAL 129 Ca -0.07 0.48 0.02 0.00 0.00 0.00 0.00 61.98 62.42 1qsf s VAL 129 Cb -0.09 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.75 1qsf s VAL 129 CO -0.16 0.59 -0.22 -0.36 0.00 0.00 0.00 175.10 174.95 1qsf s PHE 130 N -1.07 2.63 0.49 5.22 0.40 -0.07 -4.99 117.98 120.60 1qsf s PHE 130 Ca 0.20 -1.33 -0.22 0.00 -0.60 0.00 0.00 56.93 54.98 1qsf s PHE 130 Cb -0.14 -1.79 -0.07 0.00 0.51 0.00 0.00 43.02 41.53 1qsf s PHE 130 CO 0.09 -0.61 1.16 -1.21 0.70 0.00 0.00 175.22 175.35 1qsf s GLU 131 N 0.82 3.57 0.92 0.44 2.02 -1.26 -2.40 118.70 122.82 1qsf s GLU 131 Ca -0.07 1.74 -0.13 0.00 0.02 0.00 0.00 54.97 56.53 1qsf s GLU 131 Cb -0.15 -2.25 0.04 0.00 0.10 0.00 0.00 34.13 31.86 1qsf s GLU 131 CO -0.02 -0.70 0.50 -0.35 0.02 0.00 0.00 175.26 174.71 1qsf n PRO 132 N -0.81 -0.23 -3.64 0.39 -0.04 -1.20 -4.91 135.00 124.57 1qsf n PRO 132 Ca 0.09 -0.02 -0.34 0.00 -0.04 0.00 0.00 63.50 63.19 1qsf n PRO 132 Cb 0.49 -1.91 -0.05 0.00 -0.04 0.00 0.00 33.50 31.98 1qsf n PRO 132 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1qsf s SER 133 N -2.01 6.58 0.66 3.54 1.04 -1.26 -4.97 113.70 117.28 1qsf s SER 133 Ca 0.59 0.70 0.42 0.00 0.48 0.00 0.00 55.95 58.14 1qsf s SER 133 Cb -0.23 -2.14 2.31 0.00 0.10 0.00 0.00 66.02 66.06 1qsf s SER 133 CO 0.65 0.17 2.34 -0.33 0.98 0.00 0.00 173.24 177.06 1qsf h GLU 134 N 3.65 0.00 0.06 4.02 5.08 -1.98 0.79 114.58 126.20 1qsf h GLU 134 Ca -0.49 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1qsf h GLU 134 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1qsf h GLU 134 CO 0.67 0.00 -0.03 0.00 -1.00 0.00 0.00 179.01 178.66 1qsf h ALA 135 N 1.97 -0.08 -0.29 3.43 0.00 -1.97 -2.55 119.26 119.77 1qsf h ALA 135 Ca 0.00 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 1qsf h ALA 135 Cb 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1qsf h ALA 135 CO -0.00 -0.14 -0.36 1.05 0.00 0.00 0.00 179.25 179.80 1qsf h GLU 136 N -0.87 0.65 -0.46 0.00 4.11 -1.69 0.24 114.58 116.57 1qsf h GLU 136 Ca -0.01 -0.32 -0.07 0.00 0.07 0.00 0.00 59.36 59.03 1qsf h GLU 136 Cb 0.64 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1qsf h GLU 136 CO 0.01 0.91 -0.02 0.97 0.07 0.00 0.00 179.01 180.96 1qsf h ILE 137 N 0.54 1.24 0.00 -1.06 2.10 -0.81 -2.32 117.51 117.21 1qsf h ILE 137 Ca 0.05 -1.01 -0.12 0.00 1.08 0.00 0.00 64.86 64.86 1qsf h ILE 137 Cb 0.87 0.91 -0.02 0.00 -1.09 0.00 0.00 36.82 37.50 1qsf h ILE 137 CO 0.08 0.35 -0.60 0.77 -1.08 0.00 0.00 178.15 177.67 1qsf h SER 138 N 0.71 0.00 0.00 2.19 4.64 -1.19 -3.20 113.55 116.70 1qsf h SER 138 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1qsf h SER 138 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1qsf h SER 138 CO 0.02 0.58 0.00 1.57 -0.87 0.00 0.00 176.83 178.13 1qsf n HIS 139 N -3.23 0.00 0.02 4.77 -0.00 0.83 -4.47 115.22 113.14 1qsf n HIS 139 Ca 0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.20 1qsf n HIS 139 Cb 0.77 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.65 1qsf n HIS 139 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1qsf n THR 140 N 0.00 0.88 -1.95 3.57 -2.24 -0.91 -4.75 114.28 108.88 1qsf n THR 140 Ca 0.00 0.22 -0.20 0.00 -2.27 0.00 0.00 64.05 61.80 1qsf n THR 140 Cb 0.00 -1.21 -0.05 0.00 -2.10 0.00 0.00 70.33 66.96 1qsf n THR 140 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qsf n GLN 141 N -1.22 -1.57 -4.26 -0.78 6.02 -1.10 -4.96 117.38 109.51 1qsf n GLN 141 Ca 0.00 1.10 -0.19 0.00 -0.01 0.00 0.00 57.00 57.90 1qsf n GLN 141 Cb 0.00 -5.60 -0.11 0.00 1.02 0.00 0.00 30.24 25.55 1qsf n GLN 141 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1qsf s LYS 142 N -4.31 1.07 -0.19 -1.09 1.02 -1.21 -2.12 119.74 112.91 1qsf s LYS 142 Ca 0.00 -1.26 0.01 0.00 0.02 0.00 0.00 55.97 54.74 1qsf s LYS 142 Cb 0.00 -1.00 0.03 0.00 -0.52 0.00 0.00 37.83 36.34 1qsf s LYS 142 CO 0.00 0.20 -0.15 0.00 -0.92 0.00 0.00 175.35 174.48 1qsf s ALA 143 N -2.06 2.18 -0.18 5.17 0.00 1.28 -3.13 121.76 125.01 1qsf s ALA 143 Ca 0.10 -1.23 -0.07 0.00 0.00 0.00 0.00 51.96 50.75 1qsf s ALA 143 Cb -0.05 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 1qsf s ALA 143 CO 0.04 -0.62 0.06 0.95 0.00 0.00 0.00 175.76 176.20 1qsf s THR 144 N 1.33 4.80 -0.19 0.00 -4.23 -1.26 0.56 115.64 116.66 1qsf s THR 144 Ca 0.01 -0.03 -0.02 0.00 -1.18 0.00 0.00 61.69 60.47 1qsf s THR 144 Cb -0.15 -3.17 -0.01 0.00 1.34 0.00 0.00 72.50 70.52 1qsf s THR 144 CO -0.10 0.46 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.59 1qsf s LEU 145 N 0.39 2.76 -0.26 4.79 1.02 0.65 -3.23 118.68 124.79 1qsf s LEU 145 Ca 0.03 -0.41 -0.10 0.00 0.02 0.00 0.00 54.13 53.68 1qsf s LEU 145 Cb -0.12 -1.68 -0.04 0.00 0.02 0.00 0.00 46.19 44.37 1qsf s LEU 145 CO 0.00 0.03 0.15 0.68 0.02 0.00 0.00 176.35 177.23 1qsf s VAL 146 N 1.18 5.03 0.64 -1.59 -7.23 -1.01 -1.20 120.40 116.22 1qsf s VAL 146 Ca 0.02 0.07 -0.00 0.00 -1.81 0.00 0.00 61.98 60.26 1qsf s VAL 146 Cb -0.14 -3.38 0.08 0.00 0.56 0.00 0.00 36.38 33.50 1qsf s VAL 146 CO -0.03 0.29 0.89 0.00 -0.31 0.00 0.00 175.10 175.95 1qsf s LEU 148 N -4.97 -1.19 -0.20 0.00 0.20 -0.33 -3.51 118.68 108.68 1qsf s LEU 148 Ca 0.62 0.63 -0.12 0.00 0.69 0.00 0.00 54.13 55.94 1qsf s LEU 148 Cb -0.08 1.95 -0.05 0.00 -0.43 0.00 0.00 46.19 47.58 1qsf s LEU 148 CO 0.41 -0.22 0.23 0.00 -0.29 0.00 0.00 176.35 176.48 1qsf s ALA 149 N 2.88 3.62 0.04 5.97 0.00 -0.29 -1.81 121.76 132.16 1qsf s ALA 149 Ca 0.15 -0.67 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 1qsf s ALA 149 Cb -0.13 -2.36 -0.03 0.00 0.00 0.00 0.00 23.12 20.60 1qsf s ALA 149 CO -0.20 -0.06 -0.02 0.95 0.00 0.00 0.00 175.76 176.44 1qsf s THR 150 N 0.79 0.19 0.00 0.00 -4.23 -1.09 -0.05 115.64 111.25 1qsf s THR 150 Ca 0.12 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1qsf s THR 150 Cb -0.13 -1.18 0.00 0.00 1.34 0.00 0.00 72.50 72.53 1qsf s THR 150 CO 0.03 -0.85 0.00 0.61 -0.54 0.00 0.00 174.62 173.87 1qsf n GLY 151 N 0.51 0.42 3.85 3.99 0.00 -0.20 -1.79 105.19 111.96 1qsf n GLY 151 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1qsf n GLY 151 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1qsf s PHE 152 N -2.00 3.42 -0.28 1.61 -0.71 -1.13 -4.61 117.98 114.28 1qsf s PHE 152 Ca 0.00 1.17 -0.22 0.00 -1.04 0.00 0.00 56.93 56.84 1qsf s PHE 152 Cb 0.00 -2.49 0.09 0.00 -1.21 0.00 0.00 43.02 39.41 1qsf s PHE 152 CO 0.00 0.17 0.80 -0.47 -1.34 0.00 0.00 175.22 174.38 1qsf s TYR 153 N -1.88 -0.77 1.13 3.49 6.14 0.26 0.36 117.35 126.09 1qsf s TYR 153 Ca 0.51 1.74 -0.18 0.00 0.64 0.00 0.00 57.07 59.78 1qsf s TYR 153 Cb -0.11 0.39 0.26 0.00 0.42 0.00 0.00 41.96 42.91 1qsf s TYR 153 CO 0.19 -0.37 1.14 -1.25 0.64 0.00 0.00 175.55 175.89 1qsf s PRO 154 N 0.74 -0.65 0.00 4.97 0.04 -1.26 -1.98 135.00 136.85 1qsf s PRO 154 Ca -0.03 -0.02 -0.03 0.00 0.04 0.00 0.00 61.00 60.97 1qsf s PRO 154 Cb -0.05 -1.66 -0.13 0.00 0.04 0.00 0.00 34.50 32.70 1qsf s PRO 154 CO -0.07 -3.34 2.18 -0.40 0.04 0.00 0.00 177.00 175.40 1qsf n ASP 155 N -4.51 3.27 -4.08 6.66 5.75 -1.26 -4.66 116.55 117.72 1qsf n ASP 155 Ca 0.12 -2.06 -0.39 0.00 -0.01 0.00 0.00 54.79 52.46 1qsf n ASP 155 Cb 0.59 -0.84 -0.04 0.00 -1.03 0.00 0.00 41.12 39.80 1qsf n ASP 155 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1qsf n HIS 156 N 2.47 4.07 -4.10 2.11 8.25 -1.26 -5.02 115.22 121.74 1qsf n HIS 156 Ca 0.21 -3.80 -0.13 0.00 -0.26 0.00 0.00 57.72 53.74 1qsf n HIS 156 Cb 0.51 -1.24 -0.11 0.00 1.12 0.00 0.00 29.99 30.27 1qsf n HIS 156 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1qsf s VAL 157 N -1.74 0.63 -0.23 1.59 -7.23 -1.26 -2.53 120.40 109.63 1qsf s VAL 157 Ca 0.30 -1.37 -0.00 0.00 -1.81 0.00 0.00 61.98 59.10 1qsf s VAL 157 Cb -0.03 -0.99 0.06 0.00 0.56 0.00 0.00 36.38 35.98 1qsf s VAL 157 CO -0.06 -0.53 -0.03 -1.61 -0.31 0.00 0.00 175.10 172.56 1qsf s GLU 158 N -2.32 1.39 -0.09 4.82 2.02 -0.72 -4.96 118.70 118.85 1qsf s GLU 158 Ca -0.02 -0.88 -0.02 0.00 0.02 0.00 0.00 54.97 54.06 1qsf s GLU 158 Cb -0.05 -2.48 -0.03 0.00 0.10 0.00 0.00 34.13 31.66 1qsf s GLU 158 CO -0.01 -0.62 0.02 -1.17 0.02 0.00 0.00 175.26 173.50 1qsf s LEU 159 N 1.49 3.70 0.14 1.80 2.96 -1.26 0.39 118.68 127.90 1qsf s LEU 159 Ca -0.04 0.19 -0.06 0.00 -0.22 0.00 0.00 54.13 54.00 1qsf s LEU 159 Cb -0.18 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 1qsf s LEU 159 CO -0.07 0.38 0.19 -0.94 -1.32 0.00 0.00 176.35 174.59 1qsf s SER 160 N -0.93 0.15 -0.16 3.68 1.04 0.29 -4.98 113.70 112.79 1qsf s SER 160 Ca 0.14 -0.94 -0.03 0.00 0.48 0.00 0.00 55.95 55.60 1qsf s SER 160 Cb -0.11 0.37 -0.02 0.00 0.10 0.00 0.00 66.02 66.35 1qsf s SER 160 CO 0.03 -0.81 -0.05 0.26 0.98 0.00 0.00 173.24 173.65 1qsf s TRP 161 N -3.97 2.97 -0.23 5.02 0.52 -1.26 0.32 118.94 122.31 1qsf s TRP 161 Ca 0.17 -0.46 0.01 0.00 0.02 0.00 0.00 56.10 55.85 1qsf s TRP 161 Cb 0.05 -1.96 0.05 0.00 -1.15 0.00 0.00 33.47 30.46 1qsf s TRP 161 CO -0.02 -0.15 -0.09 -1.58 0.02 0.00 0.00 176.95 175.13 1qsf s TRP 162 N 0.55 2.69 -0.19 -1.98 0.52 0.23 -0.90 118.94 119.86 1qsf s TRP 162 Ca -0.04 -1.88 -0.05 0.00 0.02 0.00 0.00 56.10 54.16 1qsf s TRP 162 Cb -0.15 -1.72 -0.02 0.00 -1.15 0.00 0.00 33.47 30.43 1qsf s TRP 162 CO 0.03 -0.80 -0.01 0.14 0.02 0.00 0.00 176.95 176.33 1qsf s VAL 163 N 1.30 3.92 -1.38 4.03 -7.23 -0.03 -0.02 120.40 120.98 1qsf s VAL 163 Ca -0.05 -0.33 -0.09 0.00 -1.81 0.00 0.00 61.98 59.70 1qsf s VAL 163 Cb -0.18 -2.75 0.06 0.00 0.56 0.00 0.00 36.38 34.06 1qsf s VAL 163 CO -0.07 0.45 0.58 0.59 -0.31 0.00 0.00 175.10 176.34 1qsf n ASN 164 N 4.06 -4.42 0.00 4.85 3.02 -0.19 -2.18 115.26 120.40 1qsf n ASN 164 Ca -0.17 -0.41 0.00 0.00 -0.03 0.00 0.00 54.58 53.96 1qsf n ASN 164 Cb 0.52 -3.61 0.00 0.00 -0.61 0.00 0.00 39.78 36.08 1qsf n ASN 164 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qsf n GLY 165 N -1.32 0.55 3.16 7.41 0.00 -1.26 -5.05 105.19 108.68 1qsf n GLY 165 Ca -0.03 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 1qsf n GLY 165 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qsf s LYS 166 N -2.23 0.85 -0.04 1.61 2.47 -0.93 -5.15 119.74 116.32 1qsf s LYS 166 Ca 0.00 -1.32 -0.02 0.00 -1.56 0.00 0.00 55.97 53.07 1qsf s LYS 166 Cb 0.00 0.25 -0.04 0.00 -1.46 0.00 0.00 37.83 36.59 1qsf s LYS 166 CO 0.00 -0.23 0.09 -2.00 0.16 0.00 0.00 175.35 173.37 1qsf s GLU 167 N -3.99 3.16 0.02 4.03 2.12 -1.26 -0.85 118.70 121.92 1qsf s GLU 167 Ca 0.17 -0.39 0.06 0.00 0.36 0.00 0.00 54.97 55.18 1qsf s GLU 167 Cb 0.07 -2.93 -0.03 0.00 0.26 0.00 0.00 34.13 31.50 1qsf s GLU 167 CO -0.03 0.68 -0.18 0.14 -0.54 0.00 0.00 175.26 175.34 1qsf s VAL 168 N -1.12 2.78 0.00 3.70 -7.23 -0.08 -4.91 120.40 113.53 1qsf s VAL 168 Ca 0.20 -1.09 0.00 0.00 -1.81 0.00 0.00 61.98 59.28 1qsf s VAL 168 Cb -0.12 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.68 1qsf s VAL 168 CO 0.11 0.41 0.00 1.41 -0.31 0.00 0.00 175.10 176.71 1qsf n HIS 169 N 1.77 0.00 0.00 2.82 -0.00 -1.26 -4.46 115.22 114.08 1qsf n HIS 169 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.56 1qsf n HIS 169 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.51 1qsf n HIS 169 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1qsf n SER 170 N -0.97 0.00 -1.51 0.41 7.64 -1.26 -3.05 113.62 114.88 1qsf n SER 170 Ca 0.00 0.93 0.07 0.00 1.01 0.00 0.00 58.87 60.89 1qsf n SER 170 Cb 0.00 -0.43 0.32 0.00 -1.01 0.00 0.00 64.21 63.09 1qsf n SER 170 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qsf n GLY 171 N -0.98 2.49 3.85 0.23 0.00 -1.26 -4.96 105.19 104.56 1qsf n GLY 171 Ca 0.00 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 1qsf n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qsf s VAL 172 N -2.05 4.70 -0.48 1.61 1.01 -1.17 -2.68 120.40 121.33 1qsf s VAL 172 Ca 0.45 0.92 0.05 0.00 0.00 0.00 0.00 61.98 63.40 1qsf s VAL 172 Cb 0.31 -3.62 0.21 0.00 0.00 0.00 0.00 36.38 33.29 1qsf s VAL 172 CO 0.19 -0.17 0.84 -1.20 0.00 0.00 0.00 175.10 174.76 1qsf n SER 173 N -0.32 -2.99 -4.86 3.32 7.64 -0.61 -5.00 113.62 110.80 1qsf n SER 173 Ca 0.03 -2.84 -0.31 0.00 1.01 0.00 0.00 58.87 56.76 1qsf n SER 173 Cb 0.53 1.65 -0.03 0.00 -1.01 0.00 0.00 64.21 65.35 1qsf n SER 173 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1qsf s THR 174 N 0.78 4.66 0.42 0.44 -4.23 -1.26 -3.15 115.64 113.30 1qsf s THR 174 Ca 0.30 0.92 -0.25 0.00 -1.18 0.00 0.00 61.69 61.48 1qsf s THR 174 Cb 0.10 -3.74 -0.10 0.00 1.34 0.00 0.00 72.50 70.10 1qsf s THR 174 CO -0.13 -0.66 1.12 0.47 -0.54 0.00 0.00 174.62 174.88 1qsf n ASP 175 N -1.58 1.78 0.00 3.99 8.00 -0.34 -4.95 116.55 123.45 1qsf n ASP 175 Ca 0.05 1.06 0.00 0.00 0.71 0.00 0.00 54.79 56.61 1qsf n ASP 175 Cb 0.54 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.23 1qsf n ASP 175 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1qsf n PRO 176 N 0.06 0.00 -5.05 -0.24 -0.04 -1.26 -4.70 135.00 123.77 1qsf n PRO 176 Ca 0.08 0.51 -0.29 0.00 -0.04 0.00 0.00 63.50 63.77 1qsf n PRO 176 Cb 0.39 -1.37 -0.16 0.00 -0.04 0.00 0.00 33.50 32.32 1qsf n PRO 176 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1qsf s GLN 177 N -2.49 2.28 1.09 0.54 0.74 -1.26 -5.14 119.66 115.42 1qsf s GLN 177 Ca 0.00 -0.75 -0.12 0.00 0.05 0.00 0.00 55.36 54.54 1qsf s GLN 177 Cb 0.00 -1.90 0.24 0.00 1.10 0.00 0.00 33.01 32.45 1qsf s GLN 177 CO 0.00 0.27 1.02 -2.30 -0.55 0.00 0.00 175.29 173.73 1qsf n PRO 178 N 3.18 -1.76 -3.54 1.67 -0.02 -1.26 -5.07 135.00 128.20 1qsf n PRO 178 Ca -0.18 -0.47 -0.19 0.00 -2.02 0.00 0.00 63.50 60.63 1qsf n PRO 178 Cb 0.52 -2.22 -0.01 0.00 -0.02 0.00 0.00 33.50 31.77 1qsf n PRO 178 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1qsf s LEU 179 N -6.77 3.84 -0.25 2.45 2.96 -0.89 -4.98 118.68 115.05 1qsf s LEU 179 Ca 0.68 -0.29 -0.07 0.00 -0.22 0.00 0.00 54.13 54.23 1qsf s LEU 179 Cb -0.24 -2.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.84 1qsf s LEU 179 CO 0.63 -0.43 0.05 -1.59 -1.32 0.00 0.00 176.35 173.68 1qsf s LYS 180 N -4.13 3.56 0.24 1.98 -2.85 -1.26 -2.10 119.74 115.18 1qsf s LYS 180 Ca 0.44 -0.53 -0.04 0.00 -1.00 0.00 0.00 55.97 54.84 1qsf s LYS 180 Cb -0.08 -3.26 0.40 0.00 -2.06 0.00 0.00 37.83 32.82 1qsf s LYS 180 CO 0.30 -0.21 1.80 0.93 0.10 0.00 0.00 175.35 178.28 1qsf h GLU 181 N 8.21 0.74 -3.40 1.78 5.08 -1.59 -3.24 114.58 122.16 1qsf h GLU 181 Ca -0.39 -0.04 -0.66 0.00 -1.00 0.00 0.00 59.36 57.27 1qsf h GLU 181 Cb 1.17 -0.17 -0.39 0.00 0.50 0.00 0.00 28.75 29.86 1qsf h GLU 181 CO 0.59 0.49 -0.52 -0.65 -1.00 0.00 0.00 179.01 177.92 1qsf s GLN 182 N -6.03 2.28 0.00 2.33 -0.21 -1.26 -4.94 119.66 111.82 1qsf s GLN 182 Ca -0.12 -2.71 0.00 0.00 0.02 0.00 0.00 55.36 52.54 1qsf s GLN 182 Cb 0.19 -3.49 0.00 0.00 1.00 0.00 0.00 33.01 30.71 1qsf s GLN 182 CO 0.78 -1.16 0.00 -0.35 -2.12 0.00 0.00 175.29 172.44 1qsf n PRO 183 N 3.05 0.00 -0.02 2.91 -0.05 -1.23 -1.42 135.00 138.25 1qsf n PRO 183 Ca 0.08 0.00 -0.03 0.00 -0.05 0.00 0.00 63.50 63.50 1qsf n PRO 183 Cb 0.34 -0.99 -0.02 0.00 -0.05 0.00 0.00 33.50 32.78 1qsf n PRO 183 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1qsf n ALA 184 N 0.49 1.90 -1.78 0.55 0.00 -1.26 -5.08 120.51 115.34 1qsf n ALA 184 Ca 0.00 -0.21 -0.36 0.00 0.00 0.00 0.00 53.44 52.87 1qsf n ALA 184 Cb 0.00 0.33 -0.01 0.00 0.00 0.00 0.00 19.45 19.76 1qsf n ALA 184 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1qsf s LEU 185 N -4.97 3.90 -0.02 0.00 2.96 -0.50 -4.99 118.68 115.06 1qsf s LEU 185 Ca -0.05 2.17 -0.25 0.00 -0.22 0.00 0.00 54.13 55.79 1qsf s LEU 185 Cb 0.01 -4.41 -0.20 0.00 0.50 0.00 0.00 46.19 42.10 1qsf s LEU 185 CO 0.12 -0.96 1.23 -1.13 -1.32 0.00 0.00 176.35 174.29 1qsf h ASN 186 N 1.71 0.11 -1.11 3.68 -1.24 -1.98 -3.17 115.58 113.57 1qsf h ASN 186 Ca -0.49 -0.55 -0.66 0.00 0.71 0.00 0.00 56.30 55.31 1qsf h ASN 186 Cb 1.25 -0.03 -0.32 0.00 0.73 0.00 0.00 38.32 39.94 1qsf h ASN 186 CO 0.59 0.63 0.45 0.47 -1.29 0.00 0.00 177.43 178.28 1qsf n ASP 187 N -4.74 6.93 -4.70 1.15 8.00 -1.26 -5.02 116.55 116.91 1qsf n ASP 187 Ca -0.08 -3.78 -0.42 0.00 0.71 0.00 0.00 54.79 51.21 1qsf n ASP 187 Cb 0.31 -0.83 -0.03 0.00 -0.02 0.00 0.00 41.12 40.56 1qsf n ASP 187 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1qsf s SER 188 N -2.20 6.41 0.84 -2.24 0.15 -1.20 -4.99 113.70 110.47 1qsf s SER 188 Ca 0.59 2.80 -0.12 0.00 0.70 0.00 0.00 55.95 59.93 1qsf s SER 188 Cb 0.47 -2.58 0.10 0.00 -1.71 0.00 0.00 66.02 62.30 1qsf s SER 188 CO -0.07 -0.99 1.11 0.00 1.20 0.00 0.00 173.24 174.49 1qsf s ARG 189 N 2.11 1.70 0.54 5.44 3.03 -1.26 -4.88 118.95 125.63 1qsf s ARG 189 Ca 0.78 0.58 0.02 0.00 2.03 0.00 0.00 55.73 59.14 1qsf s ARG 189 Cb -0.47 -1.88 0.02 0.00 -1.03 0.00 0.00 34.95 31.58 1qsf s ARG 189 CO 0.35 -1.87 0.16 0.71 -1.13 0.00 0.00 175.30 173.51 1qsf s TYR 190 N -3.15 1.67 -0.14 5.89 1.51 0.16 -1.63 117.35 121.66 1qsf s TYR 190 Ca 0.62 -0.95 -0.16 0.00 -1.01 0.00 0.00 57.07 55.57 1qsf s TYR 190 Cb -0.15 -1.70 0.04 0.00 -0.11 0.00 0.00 41.96 40.04 1qsf s TYR 190 CO 0.54 -0.08 0.43 0.00 -1.11 0.00 0.00 175.55 175.33 1qsf s ALA 191 N -2.86 -1.06 0.04 3.71 0.00 -0.89 -1.03 121.76 119.66 1qsf s ALA 191 Ca 0.13 1.12 0.03 0.00 0.00 0.00 0.00 51.96 53.25 1qsf s ALA 191 Cb -0.01 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 1qsf s ALA 191 CO 0.08 -0.22 -0.09 -1.17 0.00 0.00 0.00 175.76 174.37 1qsf s LEU 192 N 0.00 2.22 0.29 0.00 2.96 0.93 -2.10 118.68 122.98 1qsf s LEU 192 Ca -0.02 -0.49 0.10 0.00 -0.22 0.00 0.00 54.13 53.50 1qsf s LEU 192 Cb -0.03 -0.27 -0.05 0.00 0.50 0.00 0.00 46.19 46.33 1qsf s LEU 192 CO 0.01 -0.13 -0.16 -0.55 -1.32 0.00 0.00 176.35 174.21 1qsf s SER 193 N -1.37 3.45 -0.08 3.68 0.15 -1.26 -1.14 113.70 117.13 1qsf s SER 193 Ca -0.06 -1.09 -0.30 0.00 0.70 0.00 0.00 55.95 55.20 1qsf s SER 193 Cb -0.09 -0.28 0.09 0.00 -1.71 0.00 0.00 66.02 64.03 1qsf s SER 193 CO 0.01 -0.08 0.79 -0.55 1.20 0.00 0.00 173.24 174.61 1qsf s SER 194 N -3.51 -0.55 0.09 5.45 0.15 -1.23 -1.20 113.70 112.90 1qsf s SER 194 Ca 0.30 0.56 0.07 0.00 0.70 0.00 0.00 55.95 57.58 1qsf s SER 194 Cb -0.02 0.46 -0.03 0.00 -1.71 0.00 0.00 66.02 64.72 1qsf s SER 194 CO 0.14 -0.54 -0.19 -0.13 1.20 0.00 0.00 173.24 173.73 1qsf s ARG 195 N -1.34 1.04 -0.18 5.44 3.00 -1.19 -0.43 118.95 125.29 1qsf s ARG 195 Ca -0.07 -1.07 -0.05 0.00 0.00 0.00 0.00 55.73 54.54 1qsf s ARG 195 Cb -0.00 -1.21 0.06 0.00 0.00 0.00 0.00 34.95 33.80 1qsf s ARG 195 CO 0.06 0.28 0.08 -1.17 0.00 0.00 0.00 175.30 174.55 1qsf s LEU 196 N -1.79 0.53 -0.05 2.53 2.96 -0.34 -1.57 118.68 120.96 1qsf s LEU 196 Ca 0.04 -0.66 -0.09 0.00 -0.22 0.00 0.00 54.13 53.19 1qsf s LEU 196 Cb -0.10 -0.32 -0.05 0.00 0.50 0.00 0.00 46.19 46.23 1qsf s LEU 196 CO 0.03 -0.34 0.26 -0.60 -1.32 0.00 0.00 176.35 174.38 1qsf s ARG 197 N 2.08 3.62 0.11 1.98 3.52 -1.09 -0.25 118.95 128.91 1qsf s ARG 197 Ca 0.01 0.04 -0.13 0.00 -0.13 0.00 0.00 55.73 55.53 1qsf s ARG 197 Cb -0.16 -3.16 0.02 0.00 -1.56 0.00 0.00 34.95 30.08 1qsf s ARG 197 CO -0.09 0.72 0.31 0.08 -0.81 0.00 0.00 175.30 175.51 1qsf s VAL 198 N -1.13 0.10 0.02 7.11 1.01 0.19 -4.63 120.40 123.07 1qsf s VAL 198 Ca 0.21 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 1qsf s VAL 198 Cb -0.14 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1qsf s VAL 198 CO 0.10 -0.45 1.05 -0.94 0.00 0.00 0.00 175.10 174.86 1qsf s SER 199 N -2.77 7.28 0.41 3.32 1.04 -1.26 0.39 113.70 122.11 1qsf s SER 199 Ca 0.03 1.77 0.26 0.00 0.48 0.00 0.00 55.95 58.49 1qsf s SER 199 Cb 0.03 -2.57 1.36 0.00 0.10 0.00 0.00 66.02 64.93 1qsf s SER 199 CO -0.11 -0.32 1.62 0.00 0.98 0.00 0.00 173.24 175.41 1qsf h ALA 200 N 6.79 2.52 -0.50 5.32 0.00 -1.72 1.10 119.26 132.76 1qsf h ALA 200 Ca -0.41 0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.70 1qsf h ALA 200 Cb 1.22 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 1qsf h ALA 200 CO 0.77 -1.17 0.33 1.79 0.00 0.00 0.00 179.25 180.97 1qsf h THR 201 N 0.11 0.99 0.18 0.00 1.35 -1.91 0.45 112.91 114.08 1qsf h THR 201 Ca 0.81 -0.16 -0.29 0.00 -0.55 0.00 0.00 66.41 66.22 1qsf h THR 201 Cb 2.37 0.48 0.02 0.00 -1.73 0.00 0.00 68.15 69.29 1qsf h THR 201 CO -0.50 0.09 -1.36 0.15 -0.25 0.00 0.00 175.52 173.64 1qsf h PHE 202 N 0.47 0.68 -0.30 4.73 3.57 0.85 -3.30 116.94 123.64 1qsf h PHE 202 Ca 0.21 -0.50 -0.14 0.00 3.53 0.00 0.00 57.97 61.07 1qsf h PHE 202 Cb 0.26 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1qsf h PHE 202 CO -0.00 1.53 -0.40 2.35 -2.23 0.00 0.00 178.31 179.56 1qsf h TRP 203 N -0.11 0.85 0.00 0.41 2.91 -1.08 -2.99 115.95 115.94 1qsf h TRP 203 Ca -0.26 -0.25 0.00 0.00 1.13 0.00 0.00 58.89 59.51 1qsf h TRP 203 Cb 1.92 -0.18 0.00 0.00 -0.51 0.00 0.00 29.16 30.39 1qsf h TRP 203 CO 0.14 1.00 0.00 1.04 -1.03 0.00 0.00 178.44 179.59 1qsf n GLN 204 N -4.04 0.74 -2.85 2.65 6.02 0.16 -4.09 117.38 115.97 1qsf n GLN 204 Ca -0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.54 1qsf n GLN 204 Cb 0.53 -1.47 -0.04 0.00 1.02 0.00 0.00 30.24 30.28 1qsf n GLN 204 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1qsf s ASN 205 N -1.95 6.26 0.55 1.08 3.84 -1.13 -3.96 114.94 119.62 1qsf s ASN 205 Ca 0.34 -0.63 0.45 0.00 0.21 0.00 0.00 52.86 53.23 1qsf s ASN 205 Cb 0.15 -2.43 1.66 0.00 -0.55 0.00 0.00 41.25 40.09 1qsf s ASN 205 CO 0.26 -1.32 1.66 -0.65 -2.79 0.00 0.00 177.10 174.26 1qsf h PRO 206 N 9.42 0.01 -0.01 0.43 0.11 -1.89 -2.73 132.00 137.34 1qsf h PRO 206 Ca -0.27 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1qsf h PRO 206 Cb 1.07 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1qsf h PRO 206 CO 1.13 0.00 -0.08 2.89 -0.21 0.00 0.00 178.00 181.73 1qsf n ARG 207 N -4.06 1.35 -3.90 1.05 -4.01 -1.26 -4.64 116.66 101.20 1qsf n ARG 207 Ca 0.38 -0.76 -0.35 0.00 -1.04 0.00 0.00 57.85 56.07 1qsf n ARG 207 Cb 1.72 -1.48 -0.09 0.00 -3.04 0.00 0.00 32.46 29.57 1qsf n ARG 207 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 1qsf s ASN 208 N -2.17 5.94 -0.14 2.89 2.20 -1.03 -5.05 114.94 117.58 1qsf s ASN 208 Ca 0.34 0.19 -0.06 0.00 -0.94 0.00 0.00 52.86 52.39 1qsf s ASN 208 Cb 0.20 -2.00 -0.04 0.00 -2.00 0.00 0.00 41.25 37.41 1qsf s ASN 208 CO 0.40 0.22 0.06 -2.28 -2.94 0.00 0.00 177.10 172.56 1qsf s HIS 209 N 0.13 3.31 -0.15 1.54 2.46 -1.26 -4.37 115.29 116.95 1qsf s HIS 209 Ca 0.07 0.22 -0.03 0.00 0.47 0.00 0.00 55.06 55.79 1qsf s HIS 209 Cb -0.12 -1.96 -0.03 0.00 -0.13 0.00 0.00 32.58 30.34 1qsf s HIS 209 CO -0.00 0.39 -0.05 -0.06 -2.47 0.00 0.00 174.74 172.55 1qsf s PHE 210 N -0.33 3.01 -0.05 3.88 0.08 -0.71 -1.02 117.98 122.83 1qsf s PHE 210 Ca 0.09 -0.31 0.02 0.00 0.12 0.00 0.00 56.93 56.85 1qsf s PHE 210 Cb -0.12 -1.94 0.02 0.00 -0.57 0.00 0.00 43.02 40.41 1qsf s PHE 210 CO 0.02 -0.03 -0.08 0.50 -0.10 0.00 0.00 175.22 175.53 1qsf s ARG 211 N 0.30 1.17 -0.35 0.44 3.52 0.97 -0.69 118.95 124.32 1qsf s ARG 211 Ca -0.04 -0.23 -0.13 0.00 -0.13 0.00 0.00 55.73 55.20 1qsf s ARG 211 Cb -0.14 -1.05 -0.01 0.00 -1.56 0.00 0.00 34.95 32.18 1qsf s ARG 211 CO 0.03 -0.03 0.26 0.00 -0.81 0.00 0.00 175.30 174.75 1qsf s GLN 213 N 1.75 3.28 -0.21 0.00 0.74 0.15 -2.13 119.66 123.25 1qsf s GLN 213 Ca 0.07 -0.36 -0.01 0.00 0.05 0.00 0.00 55.36 55.10 1qsf s GLN 213 Cb -0.17 -2.94 0.06 0.00 1.10 0.00 0.00 33.01 31.05 1qsf s GLN 213 CO 0.11 0.61 -0.00 0.08 -0.55 0.00 0.00 175.29 175.53 1qsf s VAL 214 N -0.60 0.94 0.02 1.34 1.01 -1.01 0.10 120.40 122.20 1qsf s VAL 214 Ca 0.10 -0.81 -0.26 0.00 0.00 0.00 0.00 61.98 61.02 1qsf s VAL 214 Cb -0.12 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 1qsf s VAL 214 CO 0.02 -0.14 0.80 -1.58 0.00 0.00 0.00 175.10 174.20 1qsf s GLN 215 N 1.67 4.51 0.11 2.72 2.00 0.16 -1.92 119.66 128.91 1qsf s GLN 215 Ca -0.03 1.11 0.10 0.00 -2.00 0.00 0.00 55.36 54.54 1qsf s GLN 215 Cb -0.18 -3.39 -0.04 0.00 0.80 0.00 0.00 33.01 30.20 1qsf s GLN 215 CO -0.07 0.19 -0.22 0.12 -0.50 0.00 0.00 175.29 174.80 1qsf s PHE 216 N 0.26 2.43 -0.28 1.67 5.36 0.08 -1.76 117.98 125.74 1qsf s PHE 216 Ca 0.41 -0.32 0.02 0.00 -0.96 0.00 0.00 56.93 56.08 1qsf s PHE 216 Cb -0.20 -1.32 0.07 0.00 -0.34 0.00 0.00 43.02 41.23 1qsf s PHE 216 CO 0.23 0.33 -0.04 0.71 -1.46 0.00 0.00 175.22 174.99 1qsf s TYR 217 N -1.06 3.06 0.00 10.12 2.02 -1.05 -2.93 117.35 127.51 1qsf s TYR 217 Ca 0.15 -2.30 0.00 0.00 -0.37 0.00 0.00 57.07 54.55 1qsf s TYR 217 Cb -0.10 -2.06 0.00 0.00 -0.40 0.00 0.00 41.96 39.40 1qsf s TYR 217 CO 0.07 -0.87 0.00 0.41 -1.57 0.00 0.00 175.55 173.59 1qsf n GLY 218 N 4.48 2.79 3.88 0.71 0.00 -1.21 -4.69 105.19 111.15 1qsf n GLY 218 Ca -0.08 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 1qsf n GLY 218 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qsf s LEU 219 N 0.00 3.80 0.70 0.99 1.43 -1.22 -4.68 118.68 119.70 1qsf s LEU 219 Ca 0.00 1.11 -0.11 0.00 -1.03 0.00 0.00 54.13 54.10 1qsf s LEU 219 Cb 0.00 -4.00 0.01 0.00 0.03 0.00 0.00 46.19 42.23 1qsf s LEU 219 CO 0.00 -0.43 1.07 -0.55 0.23 0.00 0.00 176.35 176.67 1qsf s SER 220 N -3.29 5.26 0.00 2.29 0.15 -1.26 -3.57 113.70 113.27 1qsf s SER 220 Ca 0.51 1.67 0.15 0.00 0.70 0.00 0.00 55.95 58.97 1qsf s SER 220 Cb -0.10 -2.50 0.75 0.00 -1.71 0.00 0.00 66.02 62.45 1qsf s SER 220 CO 0.33 -1.53 1.38 -0.62 1.20 0.00 0.00 173.24 174.01 1qsf n GLU 221 N -3.12 0.24 -1.16 5.44 1.02 -1.26 -2.15 120.64 119.65 1qsf n GLU 221 Ca 0.08 0.13 -0.08 0.00 -0.02 0.00 0.00 57.16 57.27 1qsf n GLU 221 Cb 0.53 -1.50 0.14 0.00 -0.02 0.00 0.00 31.44 30.59 1qsf n GLU 221 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1qsf n ASN 222 N -1.25 3.24 -4.51 1.62 3.02 -1.26 -5.00 115.26 111.13 1qsf n ASN 222 Ca 0.07 -3.83 -0.36 0.00 -0.03 0.00 0.00 54.58 50.44 1qsf n ASN 222 Cb 0.11 -0.51 -0.12 0.00 -0.61 0.00 0.00 39.78 38.65 1qsf n ASN 222 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1qsf s ASP 223 N -3.13 5.25 0.46 6.41 1.01 -0.92 -5.07 116.67 120.67 1qsf s ASP 223 Ca 0.45 -0.12 -0.23 0.00 0.71 0.00 0.00 52.55 53.36 1qsf s ASP 223 Cb 0.40 -1.92 -0.09 0.00 1.01 0.00 0.00 42.92 42.31 1qsf s ASP 223 CO -0.02 0.04 1.07 -1.84 0.21 0.00 0.00 175.17 174.64 1qsf n GLU 224 N 4.40 1.42 -3.60 8.23 0.28 -1.26 -4.99 120.64 125.12 1qsf n GLU 224 Ca -0.16 0.51 -0.05 0.00 -0.16 0.00 0.00 57.16 57.30 1qsf n GLU 224 Cb 0.52 -2.16 -0.02 0.00 1.43 0.00 0.00 31.44 31.20 1qsf n GLU 224 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 177.13 176.51 1qsf s TRP 225 N -1.30 -0.13 0.00 -1.84 -0.11 -1.26 -5.14 118.94 109.15 1qsf s TRP 225 Ca 0.65 0.11 0.00 0.00 1.22 0.00 0.00 56.10 58.08 1qsf s TRP 225 Cb -0.51 0.51 0.00 0.00 -1.50 0.00 0.00 33.47 31.96 1qsf s TRP 225 CO 0.55 -0.20 0.00 0.00 -4.62 0.00 0.00 176.95 172.69 1qsf n ALA 226 N 0.02 0.00 -3.26 5.86 0.00 -1.26 -5.12 120.51 116.74 1qsf n ALA 226 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.40 1qsf n ALA 226 Cb 0.58 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.98 1qsf n ALA 226 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1qsf s GLN 227 N 0.00 0.45 0.00 0.00 0.74 -1.26 -5.03 119.66 114.56 1qsf s GLN 227 Ca 0.00 0.74 0.00 0.00 0.05 0.00 0.00 55.36 56.15 1qsf s GLN 227 Cb 0.00 -0.02 0.00 0.00 1.10 0.00 0.00 33.01 34.09 1qsf s GLN 227 CO 0.00 -0.63 0.00 -0.40 -0.55 0.00 0.00 175.29 173.71 1qsf n ASP 228 N 5.39 0.00 0.00 6.67 5.75 -1.26 -4.63 116.55 128.47 1qsf n ASP 228 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.76 1qsf n ASP 228 Cb 0.51 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 1qsf n ASP 228 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1qsf n ARG 229 N 0.00 0.00 -1.45 0.11 0.63 -1.26 -5.18 116.66 109.51 1qsf n ARG 229 Ca 0.00 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.64 1qsf n ARG 229 Cb 0.00 0.00 0.15 0.00 0.45 0.00 0.00 32.46 33.06 1qsf n ARG 229 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1qsf s ALA 230 N -0.85 1.55 0.08 5.13 0.00 -1.26 -4.82 121.76 121.58 1qsf s ALA 230 Ca 0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 51.96 51.12 1qsf s ALA 230 Cb 0.00 -3.03 -0.05 0.00 0.00 0.00 0.00 23.12 20.04 1qsf s ALA 230 CO 0.00 -2.48 0.99 0.15 0.00 0.00 0.00 175.76 174.42 1qsf s LYS 231 N -5.24 4.63 0.00 0.00 1.02 -1.26 -4.88 119.74 114.02 1qsf s LYS 231 Ca 0.65 1.47 0.00 0.00 0.02 0.00 0.00 55.97 58.11 1qsf s LYS 231 Cb -0.15 -3.40 0.00 0.00 -0.52 0.00 0.00 37.83 33.76 1qsf s LYS 231 CO 0.54 0.09 0.15 -2.30 -0.92 0.00 0.00 175.35 172.92 1qsf n PRO 232 N 3.18 0.24 -1.00 -1.68 -0.02 -1.26 -4.85 135.00 129.61 1qsf n PRO 232 Ca 0.04 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.20 1qsf n PRO 232 Cb 0.49 -1.19 0.01 0.00 -0.02 0.00 0.00 33.50 32.80 1qsf n PRO 232 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1qsf n VAL 233 N 0.52 0.00 -1.52 -1.45 0.31 -1.23 -3.29 118.33 111.67 1qsf n VAL 233 Ca 0.00 -0.42 -0.40 0.00 -0.01 0.00 0.00 64.34 63.51 1qsf n VAL 233 Cb 0.08 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.93 1qsf n VAL 233 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1qsf n THR 234 N -1.45 -0.00 -3.60 2.52 -2.24 -1.25 -4.48 114.28 103.78 1qsf n THR 234 Ca 0.05 -0.46 -0.23 0.00 -2.27 0.00 0.00 64.05 61.14 1qsf n THR 234 Cb 0.41 -1.90 0.00 0.00 -2.10 0.00 0.00 70.33 66.75 1qsf n THR 234 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1qsf s GLN 235 N 8.09 2.33 -0.51 -0.78 -0.21 -1.15 -4.90 119.66 122.54 1qsf s GLN 235 Ca 1.12 -1.81 0.06 0.00 0.02 0.00 0.00 55.36 54.74 1qsf s GLN 235 Cb -0.63 -2.30 0.20 0.00 1.00 0.00 0.00 33.01 31.29 1qsf s GLN 235 CO 0.37 -0.58 0.48 -0.89 -2.12 0.00 0.00 175.29 172.56 1qsf n ILE 236 N -1.83 0.08 -2.30 1.08 5.41 -1.26 -0.74 119.36 119.80 1qsf n ILE 236 Ca 0.04 -4.17 -0.43 0.00 1.00 0.00 0.00 62.75 59.20 1qsf n ILE 236 Cb 0.63 -1.92 -0.02 0.00 -0.71 0.00 0.00 39.64 37.62 1qsf n ILE 236 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1qsf s VAL 237 N -0.99 4.02 0.44 1.39 1.01 -0.81 -4.79 120.40 120.67 1qsf s VAL 237 Ca 0.33 1.28 0.06 0.00 0.00 0.00 0.00 61.98 63.65 1qsf s VAL 237 Cb 0.07 -3.83 -0.06 0.00 0.00 0.00 0.00 36.38 32.57 1qsf s VAL 237 CO -0.14 -0.08 0.05 -0.44 0.00 0.00 0.00 175.10 174.48 1qsf s SER 238 N 2.21 4.04 -0.06 3.32 0.01 -1.26 -2.41 113.70 119.55 1qsf s SER 238 Ca 0.61 -1.39 -0.09 0.00 1.31 0.00 0.00 55.95 56.38 1qsf s SER 238 Cb -0.26 -0.18 0.02 0.00 0.21 0.00 0.00 66.02 65.81 1qsf s SER 238 CO 0.21 -0.57 0.24 0.00 0.41 0.00 0.00 173.24 173.52 1qsf s ALA 239 N -2.73 -0.59 0.15 1.44 0.00 -0.90 -4.69 121.76 114.43 1qsf s ALA 239 Ca 0.29 0.48 0.02 0.00 0.00 0.00 0.00 51.96 52.76 1qsf s ALA 239 Cb 0.07 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1qsf s ALA 239 CO 0.15 -0.16 -0.03 -1.83 0.00 0.00 0.00 175.76 173.89 1qsf s GLU 240 N -0.39 1.03 -0.00 0.00 -1.05 -1.26 -0.66 118.70 116.36 1qsf s GLU 240 Ca -0.05 -1.47 -0.22 0.00 -0.15 0.00 0.00 54.97 53.08 1qsf s GLU 240 Cb -0.03 -0.31 0.05 0.00 -0.44 0.00 0.00 34.13 33.39 1qsf s GLU 240 CO 0.01 -0.07 0.50 0.00 0.95 0.00 0.00 175.26 176.65 1qsf s ALA 241 N -3.59 -1.27 0.31 -0.84 0.00 0.14 -4.83 121.76 111.67 1qsf s ALA 241 Ca 0.19 0.72 0.10 0.00 0.00 0.00 0.00 51.96 52.97 1qsf s ALA 241 Cb 0.05 0.16 -0.06 0.00 0.00 0.00 0.00 23.12 23.28 1qsf s ALA 241 CO 0.01 -0.38 -0.13 -1.58 0.00 0.00 0.00 175.76 173.68 1qsf s TRP 242 N -1.71 2.27 0.78 0.00 0.52 -1.26 -1.74 118.94 117.81 1qsf s TRP 242 Ca -0.10 -0.47 -0.12 0.00 0.02 0.00 0.00 56.10 55.44 1qsf s TRP 242 Cb -0.02 -1.19 0.06 0.00 -1.15 0.00 0.00 33.47 31.18 1qsf s TRP 242 CO 0.04 0.58 1.10 0.20 0.02 0.00 0.00 176.95 178.89 1qsf s GLY 243 N -3.54 1.62 -0.39 0.98 0.00 -1.26 -5.05 107.32 99.68 1qsf s GLY 243 Ca 0.31 -0.27 0.01 0.00 0.00 0.00 0.00 44.72 44.76 1qsf s GLY 243 CO 0.15 0.15 0.20 0.50 0.00 0.00 0.00 173.10 174.10 1qsf s ARG 244 N -5.23 1.02 0.11 2.90 0.52 -1.26 -4.85 118.95 112.16 1qsf s ARG 244 Ca 0.60 -1.67 0.05 0.00 -0.52 0.00 0.00 55.73 54.19 1qsf s ARG 244 Cb -0.14 -2.07 0.25 0.00 0.52 0.00 0.00 34.95 33.52 1qsf s ARG 244 CO 0.53 -1.13 1.00 0.00 0.02 0.00 0.00 175.30 175.72 1qsf n ALA 245 N 3.93 0.66 0.00 2.13 0.00 -1.25 -4.78 120.51 121.20 1qsf n ALA 245 Ca 0.07 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1qsf n ALA 245 Cb 0.37 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.10 1qsf n ALA 245 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25