#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qfc s ALA 2 N 0.00 -0.05 0.00 2.41 0.00 -1.25 -4.84 121.76 118.03 1qfc s ALA 2 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1qfc s ALA 2 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.85 1qfc s ALA 2 CO 0.00 -0.10 0.00 -2.30 0.00 0.00 0.00 175.76 173.36 1qfc n PRO 3 N 3.97 0.00 -2.90 0.00 -0.02 -1.26 -4.80 135.00 129.99 1qfc n PRO 3 Ca -0.24 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.82 1qfc n PRO 3 Cb 0.52 -1.45 -0.04 0.00 -0.02 0.00 0.00 33.50 32.51 1qfc n PRO 3 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qfc s ALA 4 N 1.64 3.65 0.00 3.55 0.00 -1.26 -4.95 121.76 124.39 1qfc s ALA 4 Ca 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 51.96 51.78 1qfc s ALA 4 Cb 0.00 -3.28 -0.18 0.00 0.00 0.00 0.00 23.12 19.67 1qfc s ALA 4 CO 0.00 -0.92 2.72 0.45 0.00 0.00 0.00 175.76 178.02 1qfc n SER 5 N 5.98 4.13 -4.27 0.00 2.88 -1.26 -4.84 113.62 116.25 1qfc n SER 5 Ca 0.05 -2.24 -0.19 0.00 -1.33 0.00 0.00 58.87 55.16 1qfc n SER 5 Cb 0.48 -1.08 -0.11 0.00 -0.75 0.00 0.00 64.21 62.75 1qfc n SER 5 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1qfc s THR 6 N 1.26 1.45 -0.21 2.46 -4.23 -1.26 -3.94 115.64 111.16 1qfc s THR 6 Ca 0.44 -1.80 -0.29 0.00 -1.18 0.00 0.00 61.69 58.86 1qfc s THR 6 Cb 0.21 -1.63 0.00 0.00 1.34 0.00 0.00 72.50 72.42 1qfc s THR 6 CO 0.00 -0.41 1.08 -0.22 -0.54 0.00 0.00 174.62 174.53 1qfc s LEU 7 N -2.56 4.12 0.20 4.79 2.96 -0.41 -4.81 118.68 122.96 1qfc s LEU 7 Ca 0.11 1.45 0.11 0.00 -0.22 0.00 0.00 54.13 55.57 1qfc s LEU 7 Cb -0.05 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 1qfc s LEU 7 CO 0.04 -0.68 -0.22 -0.13 -1.32 0.00 0.00 176.35 174.04 1qfc s ARG 8 N 3.24 1.47 -0.27 1.98 0.52 -1.26 -0.90 118.95 123.72 1qfc s ARG 8 Ca 0.46 -1.53 -0.28 0.00 -0.52 0.00 0.00 55.73 53.86 1qfc s ARG 8 Cb -0.16 -1.67 0.18 0.00 0.52 0.00 0.00 34.95 33.82 1qfc s ARG 8 CO 0.08 0.35 1.31 -0.59 0.02 0.00 0.00 175.30 176.46 1qfc s PHE 9 N -1.93 -0.11 0.17 -0.53 -0.12 -0.80 -1.17 117.98 113.50 1qfc s PHE 9 Ca 0.21 0.21 -0.04 0.00 -0.05 0.00 0.00 56.93 57.25 1qfc s PHE 9 Cb -0.07 0.48 -0.05 0.00 -0.63 0.00 0.00 43.02 42.75 1qfc s PHE 9 CO 0.10 -0.09 0.41 0.08 -0.05 0.00 0.00 175.22 175.66 1qfc s VAL 10 N -0.79 5.14 -0.27 -2.49 1.01 -1.05 -1.35 120.40 120.61 1qfc s VAL 10 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 1qfc s VAL 10 Cb -0.02 -3.65 0.09 0.00 0.00 0.00 0.00 36.38 32.79 1qfc s VAL 10 CO -0.08 -0.04 0.07 0.00 0.00 0.00 0.00 175.10 175.05 1qfc s ALA 11 N -1.75 1.39 0.31 5.51 0.00 -0.68 -1.99 121.76 124.55 1qfc s ALA 11 Ca 0.41 -1.35 0.08 0.00 0.00 0.00 0.00 51.96 51.10 1qfc s ALA 11 Cb -0.12 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 1qfc s ALA 11 CO 0.26 -1.49 0.18 0.14 0.00 0.00 0.00 175.76 174.85 1qfc s VAL 12 N 1.69 3.50 0.04 0.00 -7.23 -0.85 -3.08 120.40 114.46 1qfc s VAL 12 Ca 0.05 -1.57 -0.20 0.00 -1.81 0.00 0.00 61.98 58.46 1qfc s VAL 12 Cb -0.17 -3.10 0.04 0.00 0.56 0.00 0.00 36.38 33.71 1qfc s VAL 12 CO -0.19 -0.24 0.45 -0.83 -0.31 0.00 0.00 175.10 173.98 1qfc s GLY 13 N -3.87 -0.32 -1.27 2.32 0.00 -1.16 0.16 107.32 103.17 1qfc s GLY 13 Ca 0.37 0.43 -0.01 0.00 0.00 0.00 0.00 44.72 45.50 1qfc s GLY 13 CO 0.24 0.15 0.90 1.22 0.00 0.00 0.00 173.10 175.62 1qfc n ASP 14 N 0.51 -2.20 -4.81 1.64 9.92 0.20 -2.14 116.55 119.68 1qfc n ASP 14 Ca -0.19 -0.69 -0.22 0.00 -0.53 0.00 0.00 54.79 53.16 1qfc n ASP 14 Cb 0.60 -4.67 -0.05 0.00 -0.64 0.00 0.00 41.12 36.36 1qfc n ASP 14 CO 0.00 0.00 0.00 -1.66 0.13 0.00 0.00 177.20 175.67 1qfc s TRP 15 N -3.47 2.83 0.00 1.24 1.48 -1.18 -2.30 118.94 117.54 1qfc s TRP 15 Ca 0.08 -0.34 0.00 0.00 -1.06 0.00 0.00 56.10 54.78 1qfc s TRP 15 Cb -0.04 -1.76 0.00 0.00 -1.16 0.00 0.00 33.47 30.51 1qfc s TRP 15 CO 0.76 0.22 0.00 0.41 -4.06 0.00 0.00 176.95 174.29 1qfc n GLY 16 N -1.30 0.58 1.16 3.67 0.00 -1.26 -4.11 105.19 103.92 1qfc n GLY 16 Ca -0.02 -0.85 0.01 0.00 0.00 0.00 0.00 46.02 45.15 1qfc n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qfc n GLY 17 N 1.27 2.27 3.86 -0.02 0.00 0.14 -2.33 105.19 110.38 1qfc n GLY 17 Ca 0.00 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 1qfc n GLY 17 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qfc s VAL 18 N -1.69 3.14 0.00 1.61 -7.23 -1.20 -4.61 120.40 110.42 1qfc s VAL 18 Ca 0.23 0.37 0.00 0.00 -1.81 0.00 0.00 61.98 60.77 1qfc s VAL 18 Cb 0.18 -3.29 0.00 0.00 0.56 0.00 0.00 36.38 33.83 1qfc s VAL 18 CO 0.06 -0.48 0.00 -2.65 -0.31 0.00 0.00 175.10 171.72 1qfc n PRO 19 N -3.19 1.26 -0.04 4.82 -0.02 -1.26 -2.65 135.00 133.92 1qfc n PRO 19 Ca 0.07 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.56 1qfc n PRO 19 Cb 0.57 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 34.05 1qfc n PRO 19 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1qfc n ASN 20 N 0.00 -0.91 -4.17 2.55 3.02 -1.26 -4.84 115.26 109.66 1qfc n ASN 20 Ca 0.00 0.05 -0.31 0.00 -0.03 0.00 0.00 54.58 54.29 1qfc n ASN 20 Cb 0.00 -0.13 -0.17 0.00 -0.61 0.00 0.00 39.78 38.87 1qfc n ASN 20 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qfc s ALA 21 N -1.15 1.99 0.35 5.41 0.00 -1.26 -4.31 121.76 122.79 1qfc s ALA 21 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.08 1qfc s ALA 21 Cb 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.32 1qfc s ALA 21 CO 0.00 0.18 0.00 -2.30 0.00 0.00 0.00 175.76 173.64 1qfc n PRO 22 N 3.72 3.55 -0.11 0.00 -0.02 -1.26 -5.00 135.00 135.87 1qfc n PRO 22 Ca -0.20 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.37 1qfc n PRO 22 Cb 0.52 0.00 0.14 0.00 -0.02 0.00 0.00 33.50 34.14 1qfc n PRO 22 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1qfc n PHE 23 N 0.00 0.29 -4.44 6.00 7.35 -1.26 -4.57 117.46 120.83 1qfc n PHE 23 Ca 0.00 -0.21 -0.22 0.00 -0.76 0.00 0.00 57.45 56.26 1qfc n PHE 23 Cb 0.00 -0.01 -0.10 0.00 0.35 0.00 0.00 39.48 39.72 1qfc n PHE 23 CO 0.00 0.00 0.00 -3.38 -0.76 0.00 0.00 176.76 172.62 1qfc s HIS 24 N -1.23 2.03 0.25 -5.13 -3.43 -1.26 0.26 115.29 106.78 1qfc s HIS 24 Ca 0.26 -0.60 0.12 0.00 -0.80 0.00 0.00 55.06 54.03 1qfc s HIS 24 Cb 0.16 -1.10 -0.05 0.00 -1.43 0.00 0.00 32.58 30.16 1qfc s HIS 24 CO 0.22 0.40 -0.19 0.95 -2.00 0.00 0.00 174.74 174.11 1qfc s THR 25 N -2.88 2.53 0.32 -5.38 -4.23 -1.26 -4.74 115.64 100.00 1qfc s THR 25 Ca 0.29 -2.25 0.10 0.00 -1.18 0.00 0.00 61.69 58.64 1qfc s THR 25 Cb 0.02 -2.30 0.33 0.00 1.34 0.00 0.00 72.50 71.89 1qfc s THR 25 CO 0.12 -0.31 1.65 0.00 -0.54 0.00 0.00 174.62 175.54 1qfc h ALA 26 N 2.51 1.68 -0.21 3.99 0.00 -2.00 -0.83 119.26 124.41 1qfc h ALA 26 Ca -0.42 0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1qfc h ALA 26 Cb 1.24 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1qfc h ALA 26 CO 0.57 -0.55 -0.09 0.00 0.00 0.00 0.00 179.25 179.18 1qfc h ARG 27 N 0.26 0.42 -0.14 0.00 3.08 -1.90 -1.85 114.38 114.26 1qfc h ARG 27 Ca 0.67 -0.18 0.02 0.00 0.07 0.00 0.00 59.98 60.56 1qfc h ARG 27 Cb 1.47 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.48 1qfc h ARG 27 CO -0.64 0.70 -0.02 1.49 -1.07 0.00 0.00 179.97 180.43 1qfc h GLU 28 N 0.13 0.02 -0.50 0.04 4.81 -1.11 -0.57 114.58 117.40 1qfc h GLU 28 Ca 0.05 -0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.38 1qfc h GLU 28 Cb 0.57 -0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.85 1qfc h GLU 28 CO 0.03 0.01 -0.16 0.52 -0.73 0.00 0.00 179.01 178.68 1qfc h MET 29 N 0.02 -0.05 -0.31 1.92 2.86 -1.41 0.15 114.93 118.11 1qfc h MET 29 Ca 0.06 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.76 1qfc h MET 29 Cb 0.09 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.71 1qfc h MET 29 CO -0.13 -0.03 -0.02 0.00 1.06 0.00 0.00 176.91 177.79 1qfc h ALA 30 N 1.39 0.26 -0.44 6.32 0.00 -0.45 -0.09 119.26 126.25 1qfc h ALA 30 Ca 0.24 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 1qfc h ALA 30 Cb 0.41 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1qfc h ALA 30 CO -0.54 -0.42 0.00 -0.91 0.00 0.00 0.00 179.25 177.38 1qfc h ASN 31 N 0.07 0.68 -0.20 0.00 4.21 -0.30 -1.38 115.58 118.66 1qfc h ASN 31 Ca 0.15 -0.15 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1qfc h ASN 31 Cb 0.21 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.22 1qfc h ASN 31 CO -0.27 0.75 0.13 0.00 -1.29 0.00 0.00 177.43 176.75 1qfc h ALA 32 N 1.33 0.26 -0.70 -0.83 0.00 0.12 0.41 119.26 119.84 1qfc h ALA 32 Ca 0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1qfc h ALA 32 Cb 0.42 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1qfc h ALA 32 CO 0.02 -0.26 0.32 -0.22 0.00 0.00 0.00 179.25 179.11 1qfc h LYS 33 N 0.27 1.02 -0.03 0.00 3.64 -0.75 -1.66 116.57 119.06 1qfc h LYS 33 Ca 0.07 -0.16 -0.24 0.00 -1.27 0.00 0.00 60.65 59.06 1qfc h LYS 33 Cb -0.02 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1qfc h LYS 33 CO -0.02 0.81 -0.93 1.49 -2.27 0.00 0.00 179.45 178.54 1qfc h GLU 34 N 0.98 0.59 0.00 1.90 4.57 -0.96 -2.14 114.58 119.53 1qfc h GLU 34 Ca 0.24 -0.59 -0.04 0.00 -1.18 0.00 0.00 59.36 57.79 1qfc h GLU 34 Cb 0.14 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1qfc h GLU 34 CO -0.03 1.20 -0.18 0.82 -1.18 0.00 0.00 179.01 179.64 1qfc h ILE 35 N 0.35 0.72 -0.03 2.32 2.04 -0.13 0.22 117.51 123.00 1qfc h ILE 35 Ca -0.09 -0.75 -0.17 0.00 1.00 0.00 0.00 64.86 64.85 1qfc h ILE 35 Cb 1.57 1.46 0.01 0.00 -0.74 0.00 0.00 36.82 39.12 1qfc h ILE 35 CO 0.17 0.18 -0.63 0.00 0.00 0.00 0.00 178.15 177.87 1qfc h ALA 36 N 1.82 0.12 -0.12 1.87 0.00 -1.15 -3.02 119.26 118.78 1qfc h ALA 36 Ca -0.00 -0.57 -0.06 0.00 0.00 0.00 0.00 54.91 54.28 1qfc h ALA 36 Cb 0.45 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1qfc h ALA 36 CO 0.02 0.40 -0.17 -0.09 0.00 0.00 0.00 179.25 179.41 1qfc h ARG 37 N 0.03 0.33 -1.01 0.00 2.43 -0.87 -2.73 114.38 112.56 1qfc h ARG 37 Ca -0.07 -0.19 0.23 0.00 -0.81 0.00 0.00 59.98 59.14 1qfc h ARG 37 Cb 1.32 0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 30.77 1qfc h ARG 37 CO 0.13 0.77 0.61 1.15 -1.51 0.00 0.00 179.97 181.12 1qfc h THR 38 N -0.08 0.58 0.00 0.20 2.02 -0.69 0.27 112.91 115.22 1qfc h THR 38 Ca 0.01 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1qfc h THR 38 Cb 0.73 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1qfc h THR 38 CO 0.04 0.11 -0.16 0.55 0.37 0.00 0.00 175.52 176.43 1qfc n VAL 39 N -4.80 0.49 -0.02 3.16 3.14 -1.14 -1.04 118.33 118.12 1qfc n VAL 39 Ca 0.26 -0.26 -0.16 0.00 -2.96 0.00 0.00 64.34 61.22 1qfc n VAL 39 Cb 0.72 -0.45 -0.11 0.00 -1.06 0.00 0.00 33.84 32.94 1qfc n VAL 39 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 1qfc h GLN 40 N 0.00 0.28 0.16 1.45 4.20 -0.17 -1.25 115.11 119.78 1qfc h GLN 40 Ca 0.00 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 1qfc h GLN 40 Cb 0.72 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.58 1qfc h GLN 40 CO 0.00 0.98 -0.08 0.82 -0.67 0.00 0.00 178.83 179.88 1qfc h ILE 41 N -0.30 0.00 0.03 2.54 2.04 -1.36 0.48 117.51 120.95 1qfc h ILE 41 Ca -0.04 -0.28 -0.22 0.00 1.00 0.00 0.00 64.86 65.32 1qfc h ILE 41 Cb 1.10 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1qfc h ILE 41 CO 0.08 0.00 -0.99 0.24 0.00 0.00 0.00 178.15 177.47 1qfc h MET 42 N -0.49 0.16 0.00 2.37 2.86 -1.27 -2.96 114.93 115.59 1qfc h MET 42 Ca -0.02 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1qfc h MET 42 Cb 0.16 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1qfc h MET 42 CO 0.04 1.02 0.00 0.41 1.06 0.00 0.00 176.91 179.44 1qfc n GLY 43 N 1.14 -1.54 2.96 8.32 0.00 -0.49 -3.76 105.19 111.83 1qfc n GLY 43 Ca -0.04 -1.37 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 1qfc n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qfc s ALA 44 N -2.91 -0.27 -0.02 4.61 0.00 -1.26 -4.75 121.76 117.16 1qfc s ALA 44 Ca 0.00 0.47 -0.23 0.00 0.00 0.00 0.00 51.96 52.20 1qfc s ALA 44 Cb 0.00 -0.30 -0.20 0.00 0.00 0.00 0.00 23.12 22.62 1qfc s ALA 44 CO 0.00 -0.10 1.16 -0.44 0.00 0.00 0.00 175.76 176.38 1qfc h ASP 45 N 6.48 0.26 -3.22 0.00 3.32 -1.53 -3.48 116.42 118.26 1qfc h ASP 45 Ca -0.32 -0.65 -0.17 0.00 0.02 0.00 0.00 57.03 55.91 1qfc h ASP 45 Cb 1.18 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.61 1qfc h ASP 45 CO 0.43 0.87 -0.04 2.22 -1.72 0.00 0.00 179.24 181.00 1qfc n PHE 46 N -4.55 -1.42 -3.80 4.55 1.16 -1.22 -4.08 117.46 108.11 1qfc n PHE 46 Ca -0.08 -1.72 -0.15 0.00 -1.87 0.00 0.00 57.45 53.62 1qfc n PHE 46 Cb 0.44 0.49 -0.16 0.00 -1.61 0.00 0.00 39.48 38.64 1qfc n PHE 46 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1qfc s ILE 47 N -2.63 -0.01 -0.14 1.97 1.01 0.31 -2.52 121.20 119.18 1qfc s ILE 47 Ca 0.20 0.19 -0.01 0.00 0.00 0.00 0.00 60.65 61.03 1qfc s ILE 47 Cb -0.01 -0.12 -0.02 0.00 0.01 0.00 0.00 42.46 42.32 1qfc s ILE 47 CO 0.14 0.10 -0.12 0.00 0.00 0.00 0.00 174.94 175.07 1qfc s MET 48 N 1.05 3.41 -0.10 2.79 0.23 -0.84 0.91 119.30 126.75 1qfc s MET 48 Ca -0.09 -0.67 -0.23 0.00 -1.03 0.00 0.00 55.69 53.67 1qfc s MET 48 Cb -0.13 -2.68 -0.03 0.00 -1.53 0.00 0.00 34.83 30.46 1qfc s MET 48 CO -0.03 0.19 0.70 0.45 -2.03 0.00 0.00 175.02 174.30 1qfc s SER 49 N 0.43 6.93 -0.01 -1.18 0.15 -0.21 -2.00 113.70 117.82 1qfc s SER 49 Ca -0.09 1.13 0.14 0.00 0.70 0.00 0.00 55.95 57.83 1qfc s SER 49 Cb -0.16 -2.41 0.41 0.00 -1.71 0.00 0.00 66.02 62.16 1qfc s SER 49 CO 0.05 -0.17 1.34 0.18 1.20 0.00 0.00 173.24 175.83 1qfc n LEU 50 N 4.13 2.52 0.00 3.45 4.77 0.41 -2.59 117.00 129.69 1qfc n LEU 50 Ca -0.01 -1.26 0.00 0.00 -0.03 0.00 0.00 56.01 54.71 1qfc n LEU 50 Cb 0.51 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1qfc n LEU 50 CO 0.47 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.75 1qfc n GLY 51 N 1.20 3.37 3.19 -0.72 0.00 -1.26 -4.16 105.19 106.81 1qfc n GLY 51 Ca 0.15 -1.90 -0.15 0.00 0.00 0.00 0.00 46.02 44.12 1qfc n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qfc n ASP 52 N 0.00 -3.43 0.02 1.61 8.00 -1.26 0.60 116.55 122.09 1qfc n ASP 52 Ca 0.00 -0.60 0.01 0.00 0.71 0.00 0.00 54.79 54.91 1qfc n ASP 52 Cb 0.00 -4.78 0.32 0.00 -0.02 0.00 0.00 41.12 36.64 1qfc n ASP 52 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1qfc h ASN 53 N -1.50 0.44 -2.61 -2.24 2.35 -1.86 -3.12 115.58 107.04 1qfc h ASN 53 Ca -0.55 -0.08 -0.55 0.00 -0.55 0.00 0.00 56.30 54.57 1qfc h ASN 53 Cb 1.30 -0.11 -0.39 0.00 0.05 0.00 0.00 38.32 39.17 1qfc h ASN 53 CO 0.44 0.51 -0.82 -0.36 -1.65 0.00 0.00 177.43 175.56 1qfc s PHE 54 N -4.96 0.51 0.19 1.19 0.08 -1.26 -4.44 117.98 109.29 1qfc s PHE 54 Ca -0.07 -1.31 0.05 0.00 0.12 0.00 0.00 56.93 55.72 1qfc s PHE 54 Cb 0.16 -0.87 0.55 0.00 -0.57 0.00 0.00 43.02 42.29 1qfc s PHE 54 CO 0.76 -0.84 0.92 0.66 -0.10 0.00 0.00 175.22 176.62 1qfc n TYR 55 N 4.47 0.47 -0.09 0.36 4.02 -0.98 -3.25 117.16 122.17 1qfc n TYR 55 Ca 0.06 0.70 -0.20 0.00 -0.01 0.00 0.00 57.90 58.45 1qfc n TYR 55 Cb 0.39 -1.00 -0.12 0.00 -0.02 0.00 0.00 39.34 38.59 1qfc n TYR 55 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1qfc n PHE 56 N -4.61 0.46 -3.61 -0.72 3.72 -1.08 -4.78 117.46 106.84 1qfc n PHE 56 Ca 0.16 0.11 -0.15 0.00 -0.05 0.00 0.00 57.45 57.52 1qfc n PHE 56 Cb 0.55 -1.06 -0.13 0.00 -0.94 0.00 0.00 39.48 37.89 1qfc n PHE 56 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1qfc s THR 57 N -2.52 -0.37 -1.15 4.37 2.01 -1.24 -4.86 115.64 111.88 1qfc s THR 57 Ca -0.31 0.19 -0.20 0.00 0.31 0.00 0.00 61.69 61.68 1qfc s THR 57 Cb 0.09 -0.48 0.07 0.00 0.01 0.00 0.00 72.50 72.18 1qfc s THR 57 CO 0.65 0.04 1.57 -0.83 -0.69 0.00 0.00 174.62 175.35 1qfc s GLY 58 N 2.37 1.50 0.03 4.40 0.00 -0.53 -4.84 107.32 110.26 1qfc s GLY 58 Ca 0.03 -2.62 0.00 0.00 0.00 0.00 0.00 44.72 42.13 1qfc s GLY 58 CO -0.09 2.66 0.00 -0.62 0.00 0.00 0.00 173.10 175.05 1qfc n VAL 59 N 6.52 -3.93 0.00 1.40 0.31 -1.26 -3.51 118.33 117.86 1qfc n VAL 59 Ca 0.40 0.57 0.00 0.00 -0.01 0.00 0.00 64.34 65.30 1qfc n VAL 59 Cb 0.48 -2.66 0.00 0.00 -0.91 0.00 0.00 33.84 30.75 1qfc n VAL 59 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1qfc n HIS 60 N 0.32 0.00 -1.70 3.52 8.25 -1.26 -1.27 115.22 123.08 1qfc n HIS 60 Ca 0.00 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.02 1qfc n HIS 60 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 1qfc n HIS 60 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1qfc n ASP 61 N -0.13 3.34 -4.55 0.41 8.00 -1.26 -4.58 116.55 117.78 1qfc n ASP 61 Ca 0.00 1.12 -0.37 0.00 0.71 0.00 0.00 54.79 56.25 1qfc n ASP 61 Cb 0.00 -1.50 -0.03 0.00 -0.02 0.00 0.00 41.12 39.57 1qfc n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qfc s ALA 62 N 0.26 1.91 0.00 2.24 0.00 -1.26 -2.18 121.76 122.73 1qfc s ALA 62 Ca 0.69 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1qfc s ALA 62 Cb -0.58 -4.31 0.00 0.00 0.00 0.00 0.00 23.12 18.23 1qfc s ALA 62 CO 0.45 -4.13 0.00 0.09 0.00 0.00 0.00 175.76 172.17 1qfc n ASN 63 N 14.38 0.00 0.15 0.00 3.02 -1.22 -4.70 115.26 126.89 1qfc n ASN 63 Ca 0.30 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.98 1qfc n ASN 63 Cb 0.53 0.00 0.45 0.00 -0.61 0.00 0.00 39.78 40.15 1qfc n ASN 63 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1qfc h ASP 64 N 0.00 0.00 -1.82 6.41 3.32 -1.92 -3.46 116.42 118.95 1qfc h ASP 64 Ca 0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 1qfc h ASP 64 Cb 0.00 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.60 1qfc h ASP 64 CO 0.00 0.00 0.61 1.17 -1.72 0.00 0.00 179.24 179.30 1qfc n LYS 65 N -2.48 1.43 0.31 3.56 0.00 -0.92 -4.82 118.16 115.23 1qfc n LYS 65 Ca 0.03 0.52 0.21 0.00 0.00 0.00 0.00 58.31 59.07 1qfc n LYS 65 Cb 0.35 -2.21 1.05 0.00 0.00 0.00 0.00 35.03 34.23 1qfc n LYS 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1qfc h ARG 66 N 5.37 0.00 0.00 1.64 3.08 -1.92 -2.62 114.38 119.94 1qfc h ARG 66 Ca -0.47 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.47 1qfc h ARG 66 Cb 1.31 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.35 1qfc h ARG 66 CO 0.83 0.00 -0.53 0.74 -1.07 0.00 0.00 179.97 179.94 1qfc h PHE 67 N 0.00 0.00 -0.16 3.04 0.04 -1.96 -2.07 116.94 115.83 1qfc h PHE 67 Ca 0.00 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.82 1qfc h PHE 67 Cb 0.09 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 1qfc h PHE 67 CO 0.00 0.53 0.23 1.96 -0.60 0.00 0.00 178.31 180.43 1qfc h GLN 68 N 0.00 0.00 0.08 1.51 1.08 -1.80 -2.25 115.11 113.73 1qfc h GLN 68 Ca -0.01 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.97 1qfc h GLN 68 Cb 0.96 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.38 1qfc h GLN 68 CO 0.07 0.00 -1.12 0.93 -0.95 0.00 0.00 178.83 177.75 1qfc h GLU 69 N 0.00 0.17 0.00 1.46 4.39 -1.54 -3.22 114.58 115.84 1qfc h GLU 69 Ca 0.08 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.48 1qfc h GLU 69 Cb 0.54 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1qfc h GLU 69 CO -0.00 1.14 0.00 2.41 -1.16 0.00 0.00 179.01 181.40 1qfc n THR 70 N -4.13 0.90 -0.02 1.13 -1.04 -0.86 -0.37 114.28 109.89 1qfc n THR 70 Ca -0.23 0.23 -0.20 0.00 -2.04 0.00 0.00 64.05 61.80 1qfc n THR 70 Cb 0.80 -1.10 -0.13 0.00 -1.82 0.00 0.00 70.33 68.07 1qfc n THR 70 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 1qfc h PHE 71 N 0.00 0.32 -0.95 -1.42 3.57 -1.62 -2.47 116.94 114.37 1qfc h PHE 71 Ca 0.00 -0.23 0.09 0.00 3.53 0.00 0.00 57.97 61.36 1qfc h PHE 71 Cb 0.07 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.73 1qfc h PHE 71 CO 0.00 1.44 0.61 1.49 -2.23 0.00 0.00 178.31 179.62 1qfc h GLU 72 N -0.52 0.98 0.01 1.11 4.57 -0.80 -0.66 114.58 119.26 1qfc h GLU 72 Ca -0.25 -0.06 -0.19 0.00 -1.18 0.00 0.00 59.36 57.68 1qfc h GLU 72 Cb 1.57 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 29.91 1qfc h GLU 72 CO 0.02 0.65 -0.87 -0.44 -1.18 0.00 0.00 179.01 177.18 1qfc h ASP 73 N 1.01 0.07 -0.06 1.04 5.19 -0.80 -3.26 116.42 119.60 1qfc h ASP 73 Ca 0.43 -0.06 -0.06 0.00 -0.62 0.00 0.00 57.03 56.72 1qfc h ASP 73 Cb 0.33 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.82 1qfc h ASP 73 CO -0.19 0.91 -0.19 0.58 -3.12 0.00 0.00 179.24 177.23 1qfc h VAL 74 N 0.03 1.43 -1.23 -1.35 2.07 -0.85 -3.24 116.25 113.12 1qfc h VAL 74 Ca -0.02 -1.58 -0.63 0.00 0.82 0.00 0.00 66.70 65.29 1qfc h VAL 74 Cb 1.53 2.30 -0.17 0.00 -1.52 0.00 0.00 31.29 33.43 1qfc h VAL 74 CO 0.12 0.44 1.27 0.49 0.02 0.00 0.00 177.57 179.91 1qfc n PHE 75 N -4.56 2.14 -3.83 1.57 3.01 -0.33 -4.84 117.46 110.62 1qfc n PHE 75 Ca -0.08 -2.35 -0.36 0.00 1.01 0.00 0.00 57.45 55.67 1qfc n PHE 75 Cb 0.42 -1.54 -0.13 0.00 -0.01 0.00 0.00 39.48 38.22 1qfc n PHE 75 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1qfc s SER 76 N 0.18 5.10 -0.30 4.37 1.04 -1.23 -4.79 113.70 118.08 1qfc s SER 76 Ca 0.55 -1.44 -0.16 0.00 0.48 0.00 0.00 55.95 55.39 1qfc s SER 76 Cb 0.30 -1.79 0.17 0.00 0.10 0.00 0.00 66.02 64.80 1qfc s SER 76 CO -0.18 -0.35 1.04 -0.62 0.98 0.00 0.00 173.24 174.10 1qfc s ASP 77 N 1.46 -0.47 0.49 7.02 -1.08 -1.26 -5.03 116.67 117.79 1qfc s ASP 77 Ca -0.01 0.67 0.35 0.00 -0.52 0.00 0.00 52.55 53.04 1qfc s ASP 77 Cb -0.21 1.44 1.18 0.00 -1.46 0.00 0.00 42.92 43.88 1qfc s ASP 77 CO -0.01 -0.10 1.24 -2.11 0.52 0.00 0.00 175.17 174.71 1qfc n ARG 78 N 4.48 0.01 -0.05 4.34 1.85 -1.26 0.15 116.66 126.18 1qfc n ARG 78 Ca -0.12 0.90 -0.12 0.00 -1.00 0.00 0.00 57.85 57.52 1qfc n ARG 78 Cb 0.54 -2.15 -0.06 0.00 -1.05 0.00 0.00 32.46 29.75 1qfc n ARG 78 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1qfc h ALA 79 N 0.68 0.21 -0.00 2.89 0.00 -1.96 -2.99 119.26 118.08 1qfc h ALA 79 Ca 0.64 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1qfc h ALA 79 Cb 2.93 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 20.66 1qfc h ALA 79 CO -0.01 -0.09 -0.40 1.28 0.00 0.00 0.00 179.25 180.03 1qfc n LEU 80 N -4.75 0.60 0.17 0.00 4.77 0.12 -4.40 117.00 113.50 1qfc n LEU 80 Ca -0.05 -0.04 0.01 0.00 -0.03 0.00 0.00 56.01 55.90 1qfc n LEU 80 Cb 0.21 -0.23 0.04 0.00 -2.33 0.00 0.00 43.42 41.11 1qfc n LEU 80 CO 0.36 0.13 0.76 -0.09 -1.33 0.00 0.00 177.39 177.22 1qfc h ARG 81 N 0.30 0.00 0.00 3.23 2.43 -0.90 -1.40 114.38 118.05 1qfc h ARG 81 Ca 0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1qfc h ARG 81 Cb 0.50 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 29.90 1qfc h ARG 81 CO 0.00 0.00 -0.53 -1.71 -1.51 0.00 0.00 179.97 176.22 1qfc n ASN 82 N -1.78 0.12 -4.61 -3.80 5.15 -1.26 -5.05 115.26 104.03 1qfc n ASN 82 Ca -0.00 -1.81 -0.39 0.00 -0.60 0.00 0.00 54.58 51.78 1qfc n ASN 82 Cb 0.71 -0.10 -0.09 0.00 -0.53 0.00 0.00 39.78 39.77 1qfc n ASN 82 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1qfc s ILE 83 N 0.00 5.17 0.44 -1.44 -1.09 -0.53 -5.06 121.20 118.70 1qfc s ILE 83 Ca 0.10 0.59 -0.23 0.00 -2.23 0.00 0.00 60.65 58.88 1qfc s ILE 83 Cb 0.12 -3.71 -0.10 0.00 -1.58 0.00 0.00 42.46 37.19 1qfc s ILE 83 CO -0.05 0.15 0.99 -2.65 -1.23 0.00 0.00 174.94 172.15 1qfc n PRO 84 N 5.33 1.28 -4.95 2.79 -0.02 -1.26 -4.79 135.00 133.38 1qfc n PRO 84 Ca -0.08 0.46 -0.28 0.00 -2.02 0.00 0.00 63.50 61.58 1qfc n PRO 84 Cb 0.51 -2.04 -0.16 0.00 -0.02 0.00 0.00 33.50 31.78 1qfc n PRO 84 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1qfc s TRP 85 N -1.32 1.97 -0.26 6.00 0.52 0.73 -0.53 118.94 126.05 1qfc s TRP 85 Ca 0.65 -0.65 -0.02 0.00 0.02 0.00 0.00 56.10 56.09 1qfc s TRP 85 Cb -0.54 -1.33 0.03 0.00 -1.15 0.00 0.00 33.47 30.48 1qfc s TRP 85 CO 0.56 -0.24 -0.03 0.71 0.02 0.00 0.00 176.95 177.96 1qfc s TYR 86 N 0.16 3.10 0.22 -1.98 2.02 0.26 -1.00 117.35 120.13 1qfc s TYR 86 Ca -0.08 -1.50 0.00 0.00 -0.37 0.00 0.00 57.07 55.12 1qfc s TYR 86 Cb -0.14 -2.09 -0.04 0.00 -0.40 0.00 0.00 41.96 39.29 1qfc s TYR 86 CO 0.04 -0.71 0.40 0.08 -1.57 0.00 0.00 175.55 173.79 1qfc s VAL 87 N 1.34 5.20 0.11 0.71 1.01 -0.44 -1.04 120.40 127.29 1qfc s VAL 87 Ca -0.00 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.58 1qfc s VAL 87 Cb -0.17 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1qfc s VAL 87 CO -0.03 -0.24 -0.14 -0.76 0.00 0.00 0.00 175.10 173.93 1qfc s LEU 88 N -3.52 2.37 -0.17 3.92 1.43 -1.07 -4.84 118.68 116.81 1qfc s LEU 88 Ca 0.38 -0.76 -0.25 0.00 -1.03 0.00 0.00 54.13 52.47 1qfc s LEU 88 Cb -0.11 -0.52 -0.01 0.00 0.03 0.00 0.00 46.19 45.58 1qfc s LEU 88 CO 0.30 -0.14 0.83 0.00 0.23 0.00 0.00 176.35 177.57 1qfc s ALA 89 N -1.93 3.52 0.17 4.21 0.00 -1.26 -4.12 121.76 122.35 1qfc s ALA 89 Ca 0.06 0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.06 1qfc s ALA 89 Cb -0.06 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.85 1qfc s ALA 89 CO 0.02 -0.65 0.15 0.41 0.00 0.00 0.00 175.76 175.70 1qfc n GLY 90 N 3.46 1.68 0.17 0.00 0.00 -1.26 -4.42 105.19 104.82 1qfc n GLY 90 Ca 0.04 -2.11 -0.21 0.00 0.00 0.00 0.00 46.02 43.75 1qfc n GLY 90 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1qfc h ASN 91 N -0.01 0.84 0.54 1.61 -1.07 -1.95 -3.22 115.58 112.32 1qfc h ASN 91 Ca -0.05 -0.74 -0.06 0.00 0.07 0.00 0.00 56.30 55.52 1qfc h ASN 91 Cb 0.22 -0.26 -0.01 0.00 -2.07 0.00 0.00 38.32 36.20 1qfc h ASN 91 CO 0.07 1.55 -0.30 0.45 0.07 0.00 0.00 177.43 179.26 1qfc h HIS 92 N 0.29 0.00 0.00 4.14 3.86 -1.89 -1.74 115.15 119.82 1qfc h HIS 92 Ca -0.16 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 1qfc h HIS 92 Cb 1.83 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.30 1qfc h HIS 92 CO 0.10 0.30 0.00 -0.44 0.86 0.00 0.00 177.93 178.75 1qfc h ASP 93 N 0.00 0.00 -0.18 2.45 3.32 -1.84 -1.27 116.42 118.90 1qfc h ASP 93 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qfc h ASP 93 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1qfc h ASP 93 CO 0.04 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.97 1qfc n HIS 94 N -2.38 0.23 1.13 4.55 8.25 -0.66 -3.11 115.22 123.22 1qfc n HIS 94 Ca 0.03 -0.11 0.12 0.00 -0.26 0.00 0.00 57.72 57.50 1qfc n HIS 94 Cb 0.33 0.00 0.19 0.00 1.12 0.00 0.00 29.99 31.62 1qfc n HIS 94 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1qfc n LEU 95 N 0.67 1.76 0.00 2.41 4.77 -0.90 -4.92 117.00 120.79 1qfc n LEU 95 Ca 0.17 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 1qfc n LEU 95 Cb 0.42 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1qfc n LEU 95 CO 0.14 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1qfc n GLY 96 N 1.36 5.21 3.56 -0.72 0.00 -1.18 -4.69 105.19 108.73 1qfc n GLY 96 Ca 0.12 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 1qfc n GLY 96 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qfc s ASN 97 N -0.24 6.42 0.08 1.61 3.84 -0.39 -4.89 114.94 121.37 1qfc s ASN 97 Ca 0.00 -0.04 -0.14 0.00 0.21 0.00 0.00 52.86 52.89 1qfc s ASN 97 Cb 0.00 -2.50 -0.21 0.00 -0.55 0.00 0.00 41.25 37.98 1qfc s ASN 97 CO 0.00 -1.35 1.22 0.58 -2.79 0.00 0.00 177.10 174.76 1qfc h VAL 98 N 6.11 1.28 -0.23 -5.21 2.07 -1.83 -2.94 116.25 115.50 1qfc h VAL 98 Ca -0.25 -2.15 0.07 0.00 0.82 0.00 0.00 66.70 65.18 1qfc h VAL 98 Cb 1.06 2.28 -0.01 0.00 -1.52 0.00 0.00 31.29 33.10 1qfc h VAL 98 CO 1.14 0.67 0.31 0.28 0.02 0.00 0.00 177.57 179.98 1qfc h SER 99 N 0.41 0.00 0.20 0.57 0.02 -1.94 0.44 113.55 113.24 1qfc h SER 99 Ca -0.11 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1qfc h SER 99 Cb 1.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.14 1qfc h SER 99 CO 0.19 0.00 -0.09 0.00 -1.14 0.00 0.00 176.83 175.78 1qfc h ALA 100 N 1.61 -0.26 0.00 3.77 0.00 -1.87 -0.49 119.26 122.01 1qfc h ALA 100 Ca 0.11 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1qfc h ALA 100 Cb 0.72 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1qfc h ALA 100 CO -0.00 -0.51 -0.28 1.96 0.00 0.00 0.00 179.25 180.42 1qfc h GLN 101 N -0.53 0.00 0.08 0.00 4.20 -1.02 0.15 115.11 118.00 1qfc h GLN 101 Ca -0.03 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1qfc h GLN 101 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1qfc h GLN 101 CO 0.04 0.28 -0.04 0.82 -0.67 0.00 0.00 178.83 179.26 1qfc h ILE 102 N 0.00 1.12 0.00 2.54 2.04 -1.06 -3.02 117.51 119.13 1qfc h ILE 102 Ca -0.00 -0.74 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 1qfc h ILE 102 Cb 0.50 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1qfc h ILE 102 CO 0.04 0.18 -0.19 0.00 0.00 0.00 0.00 178.15 178.17 1qfc h ALA 103 N 0.43 1.38 0.00 1.87 0.00 -0.81 -2.64 119.26 119.50 1qfc h ALA 103 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1qfc h ALA 103 Cb 0.38 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1qfc h ALA 103 CO 0.02 0.24 0.16 -0.92 0.00 0.00 0.00 179.25 178.75 1qfc h TYR 104 N 0.00 0.00 0.00 0.00 3.20 -0.83 0.91 116.97 120.25 1qfc h TYR 104 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1qfc h TYR 104 Cb 0.43 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.70 1qfc h TYR 104 CO 0.00 0.00 0.00 -1.13 -1.64 0.00 0.00 178.16 175.39 1qfc n SER 105 N -2.73 0.00 -0.01 -2.11 3.41 -1.00 -1.63 113.62 109.55 1qfc n SER 105 Ca -0.02 -1.38 0.05 0.00 -0.26 0.00 0.00 58.87 57.25 1qfc n SER 105 Cb 0.21 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.07 1qfc n SER 105 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1qfc n LYS 106 N -0.54 0.60 -0.02 4.33 4.76 0.31 -4.49 118.16 123.11 1qfc n LYS 106 Ca 0.02 -0.10 -0.05 0.00 -2.87 0.00 0.00 58.31 55.30 1qfc n LYS 106 Cb 0.01 -1.29 -0.13 0.00 -1.84 0.00 0.00 35.03 31.78 1qfc n LYS 106 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1qfc n ILE 107 N -1.98 1.37 -4.78 -0.18 5.41 -0.64 -4.87 119.36 113.68 1qfc n ILE 107 Ca -0.04 -0.77 -0.31 0.00 1.00 0.00 0.00 62.75 62.63 1qfc n ILE 107 Cb 0.39 -0.78 -0.17 0.00 -0.71 0.00 0.00 39.64 38.37 1qfc n ILE 107 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1qfc s SER 108 N -5.80 2.82 0.15 4.38 0.15 -0.82 -5.02 113.70 109.56 1qfc s SER 108 Ca -0.05 -0.52 -0.10 0.00 0.70 0.00 0.00 55.95 55.98 1qfc s SER 108 Cb 0.08 -1.29 -0.00 0.00 -1.71 0.00 0.00 66.02 63.09 1qfc s SER 108 CO 0.83 0.08 1.50 0.07 1.20 0.00 0.00 173.24 176.92 1qfc h LYS 109 N 7.13 0.91 0.00 5.44 2.10 -1.89 -3.07 116.57 127.19 1qfc h LYS 109 Ca -0.28 -0.46 -0.06 0.00 -2.00 0.00 0.00 60.65 57.85 1qfc h LYS 109 Cb 1.20 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.53 1qfc h LYS 109 CO 0.51 1.12 -0.28 0.07 -2.00 0.00 0.00 179.45 178.86 1qfc h ARG 110 N 0.75 0.00 -6.16 0.07 0.11 -1.94 -3.42 114.38 103.79 1qfc h ARG 110 Ca 0.07 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.56 1qfc h ARG 110 Cb 0.94 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.94 1qfc h ARG 110 CO 0.09 0.28 0.69 -0.46 0.10 0.00 0.00 179.97 180.67 1qfc s TRP 111 N -3.61 3.11 -0.19 4.08 -0.11 -1.16 -0.19 118.94 120.87 1qfc s TRP 111 Ca 0.01 0.95 -0.01 0.00 1.22 0.00 0.00 56.10 58.27 1qfc s TRP 111 Cb 0.10 -3.64 0.01 0.00 -1.50 0.00 0.00 33.47 28.44 1qfc s TRP 111 CO 0.66 -0.78 -0.13 -0.80 -4.62 0.00 0.00 176.95 171.27 1qfc s ASN 112 N 1.77 3.66 -0.48 5.86 -0.87 -0.17 -4.23 114.94 120.48 1qfc s ASN 112 Ca 0.41 -0.52 0.05 0.00 -1.57 0.00 0.00 52.86 51.22 1qfc s ASN 112 Cb -0.12 -1.59 0.21 0.00 -0.02 0.00 0.00 41.25 39.73 1qfc s ASN 112 CO 0.17 0.01 0.84 0.33 -2.57 0.00 0.00 177.10 175.89 1qfc n PHE 113 N 4.56 -3.17 -0.09 2.20 -0.00 -1.26 -1.32 117.46 118.37 1qfc n PHE 113 Ca -0.20 -1.35 -0.11 0.00 -0.00 0.00 0.00 57.45 55.80 1qfc n PHE 113 Cb 0.51 1.44 -0.04 0.00 -0.00 0.00 0.00 39.48 41.39 1qfc n PHE 113 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1qfc h PRO 114 N 4.54 0.49 -4.17 -7.13 0.13 -1.93 -3.38 132.00 120.54 1qfc h PRO 114 Ca -0.02 -0.16 -0.15 0.00 -0.87 0.00 0.00 66.00 64.80 1qfc h PRO 114 Cb 1.10 -0.04 -0.13 0.00 0.13 0.00 0.00 31.00 32.06 1qfc h PRO 114 CO 0.07 0.65 -0.44 0.45 -0.23 0.00 0.00 178.00 178.50 1qfc s SER 115 N -6.00 0.10 0.43 1.44 0.15 -1.26 -4.96 113.70 103.59 1qfc s SER 115 Ca -0.13 -1.12 0.09 0.00 0.70 0.00 0.00 55.95 55.48 1qfc s SER 115 Cb 0.08 0.42 0.93 0.00 -1.71 0.00 0.00 66.02 65.74 1qfc s SER 115 CO 0.76 -0.90 2.06 -0.65 1.20 0.00 0.00 173.24 175.71 1qfc h PRO 116 N 2.56 0.46 -3.86 5.44 0.11 -1.95 -3.41 132.00 131.36 1qfc h PRO 116 Ca -0.33 -0.03 -0.24 0.00 0.11 0.00 0.00 66.00 65.51 1qfc h PRO 116 Cb 1.24 -0.10 -0.27 0.00 0.11 0.00 0.00 31.00 31.97 1qfc h PRO 116 CO 0.49 0.31 -0.72 1.52 -0.21 0.00 0.00 178.00 179.38 1qfc s TYR 117 N -5.44 0.11 0.34 0.65 -0.85 -1.26 -3.81 117.35 107.10 1qfc s TYR 117 Ca -0.08 -0.06 -0.17 0.00 -0.52 0.00 0.00 57.07 56.24 1qfc s TYR 117 Cb 0.18 -0.07 0.04 0.00 0.38 0.00 0.00 41.96 42.48 1qfc s TYR 117 CO 0.73 -0.02 0.74 1.52 -1.52 0.00 0.00 175.55 177.00 1qfc s TYR 118 N -0.15 0.08 -0.11 -3.49 1.13 0.92 -4.97 117.35 110.76 1qfc s TYR 118 Ca -0.01 -0.64 -0.00 0.00 -1.41 0.00 0.00 57.07 55.00 1qfc s TYR 118 Cb -0.01 0.72 -0.02 0.00 -1.10 0.00 0.00 41.96 41.54 1qfc s TYR 118 CO -0.00 -1.41 -0.09 0.50 -2.51 0.00 0.00 175.55 172.03 1qfc s ARG 119 N -2.96 3.20 0.15 -3.49 3.52 -1.26 -0.77 118.95 117.33 1qfc s ARG 119 Ca 0.15 -0.61 0.08 0.00 -0.13 0.00 0.00 55.73 55.22 1qfc s ARG 119 Cb -0.05 -2.66 -0.04 0.00 -1.56 0.00 0.00 34.95 30.64 1qfc s ARG 119 CO 0.10 0.38 -0.09 -0.51 -0.81 0.00 0.00 175.30 174.37 1qfc s LEU 120 N -0.06 3.01 -0.20 -0.88 1.43 0.93 -4.99 118.68 117.92 1qfc s LEU 120 Ca -0.01 -0.50 -0.04 0.00 -1.03 0.00 0.00 54.13 52.55 1qfc s LEU 120 Cb -0.14 -1.74 0.09 0.00 0.03 0.00 0.00 46.19 44.43 1qfc s LEU 120 CO 0.03 0.13 0.20 -0.60 0.23 0.00 0.00 176.35 176.35 1qfc s ARG 121 N -2.59 0.17 0.44 1.70 3.52 -1.26 -1.37 118.95 119.56 1qfc s ARG 121 Ca 0.23 0.17 0.03 0.00 -0.13 0.00 0.00 55.73 56.03 1qfc s ARG 121 Cb -0.10 -1.29 0.03 0.00 -1.56 0.00 0.00 34.95 32.04 1qfc s ARG 121 CO 0.15 -0.66 0.27 1.19 -0.81 0.00 0.00 175.30 175.44 1qfc n PHE 122 N 5.31 -0.46 -3.71 5.12 3.01 -0.26 -4.99 117.46 121.49 1qfc n PHE 122 Ca -0.06 -1.90 -0.12 0.00 1.01 0.00 0.00 57.45 56.38 1qfc n PHE 122 Cb 0.49 -0.35 -0.10 0.00 -0.01 0.00 0.00 39.48 39.52 1qfc n PHE 122 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1qfc s LYS 123 N -3.76 0.46 0.39 -1.08 2.20 -1.26 -1.81 119.74 114.88 1qfc s LYS 123 Ca 0.21 0.71 -0.25 0.00 -0.36 0.00 0.00 55.97 56.28 1qfc s LYS 123 Cb -0.02 0.12 -0.09 0.00 -1.51 0.00 0.00 37.83 36.34 1qfc s LYS 123 CO 0.13 -0.11 1.07 0.14 -0.36 0.00 0.00 175.35 176.23 1qfc s VAL 124 N 0.81 3.60 -0.86 4.02 -7.23 0.16 -4.82 120.40 116.08 1qfc s VAL 124 Ca -0.05 1.29 0.00 0.00 -1.81 0.00 0.00 61.98 61.41 1qfc s VAL 124 Cb -0.06 -3.69 0.00 0.00 0.56 0.00 0.00 36.38 33.19 1qfc s VAL 124 CO -0.06 0.06 0.73 -2.65 -0.31 0.00 0.00 175.10 172.87 1qfc n PRO 125 N 0.09 0.00 -1.60 4.82 -0.02 -1.25 -1.30 135.00 135.73 1qfc n PRO 125 Ca 0.04 0.27 -0.37 0.00 -2.02 0.00 0.00 63.50 61.42 1qfc n PRO 125 Cb 0.49 -1.62 0.06 0.00 -0.02 0.00 0.00 33.50 32.41 1qfc n PRO 125 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1qfc n ARG 126 N -1.23 2.69 0.00 -0.52 5.12 -1.26 -5.01 116.66 116.45 1qfc n ARG 126 Ca 0.00 -3.34 0.00 0.00 -1.93 0.00 0.00 57.85 52.58 1qfc n ARG 126 Cb 0.12 -2.26 0.00 0.00 -1.16 0.00 0.00 32.46 29.15 1qfc n ARG 126 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1qfc n SER 127 N -0.68 0.00 0.00 0.55 7.64 -0.42 -3.51 113.62 117.19 1qfc n SER 127 Ca 0.58 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.46 1qfc n SER 127 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1qfc n SER 127 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1qfc n ASN 128 N 3.20 0.00 -4.56 6.43 3.02 -1.26 -4.04 115.26 118.05 1qfc n ASN 128 Ca 0.00 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.16 1qfc n ASN 128 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1qfc n ASN 128 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1qfc s ILE 129 N -3.88 3.29 0.09 2.41 -1.09 -1.23 -4.83 121.20 115.96 1qfc s ILE 129 Ca 0.00 0.20 0.07 0.00 -2.23 0.00 0.00 60.65 58.69 1qfc s ILE 129 Cb 0.00 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.17 1qfc s ILE 129 CO 0.00 -0.61 -0.11 0.42 -1.23 0.00 0.00 174.94 173.41 1qfc s THR 130 N 9.40 3.30 0.05 2.92 -4.23 -1.26 -0.66 115.64 125.16 1qfc s THR 130 Ca 0.77 -1.22 0.09 0.00 -1.18 0.00 0.00 61.69 60.14 1qfc s THR 130 Cb -0.16 -2.51 -0.03 0.00 1.34 0.00 0.00 72.50 71.14 1qfc s THR 130 CO 0.24 0.17 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.56 1qfc s VAL 131 N -1.15 1.97 -0.07 2.29 1.01 -0.75 -0.66 120.40 123.04 1qfc s VAL 131 Ca 0.20 -1.35 0.05 0.00 0.00 0.00 0.00 61.98 60.88 1qfc s VAL 131 Cb -0.11 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 1qfc s VAL 131 CO 0.12 0.28 -0.22 0.00 0.00 0.00 0.00 175.10 175.28 1qfc s ALA 132 N -0.83 2.29 -0.12 5.51 0.00 -0.55 -1.10 121.76 126.97 1qfc s ALA 132 Ca 0.10 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 51.07 1qfc s ALA 132 Cb -0.10 -0.79 0.01 0.00 0.00 0.00 0.00 23.12 22.25 1qfc s ALA 132 CO 0.02 0.41 -0.19 0.42 0.00 0.00 0.00 175.76 176.42 1qfc s ILE 133 N -0.15 1.81 -0.39 0.00 1.01 -0.47 -0.55 121.20 122.47 1qfc s ILE 133 Ca -0.03 -0.84 -0.05 0.00 0.00 0.00 0.00 60.65 59.72 1qfc s ILE 133 Cb -0.14 -1.61 0.08 0.00 0.01 0.00 0.00 42.46 40.80 1qfc s ILE 133 CO 0.04 0.50 0.18 -0.36 0.00 0.00 0.00 174.94 175.30 1qfc s PHE 134 N 0.79 3.41 -0.25 3.97 0.40 -0.37 -0.05 117.98 125.89 1qfc s PHE 134 Ca -0.09 -1.90 -0.24 0.00 -0.60 0.00 0.00 56.93 54.10 1qfc s PHE 134 Cb -0.16 -2.86 -0.01 0.00 0.51 0.00 0.00 43.02 40.51 1qfc s PHE 134 CO 0.00 -0.88 0.78 -1.64 0.70 0.00 0.00 175.22 174.19 1qfc s MET 135 N 1.29 4.16 0.35 0.44 -1.94 0.05 -1.87 119.30 121.78 1qfc s MET 135 Ca 0.03 0.85 0.09 0.00 -1.71 0.00 0.00 55.69 54.94 1qfc s MET 135 Cb -0.22 -3.65 -0.05 0.00 2.01 0.00 0.00 34.83 32.92 1qfc s MET 135 CO -0.01 -0.50 0.06 -0.51 -0.01 0.00 0.00 175.02 174.06 1qfc s LEU 136 N 2.77 3.07 -0.37 -0.03 1.43 -0.56 -0.05 118.68 124.94 1qfc s LEU 136 Ca 0.33 -0.95 -0.06 0.00 -1.03 0.00 0.00 54.13 52.42 1qfc s LEU 136 Cb -0.15 -1.46 0.06 0.00 0.03 0.00 0.00 46.19 44.67 1qfc s LEU 136 CO 0.08 -0.29 0.15 -0.62 0.23 0.00 0.00 176.35 175.90 1qfc s ASP 137 N -3.77 5.36 0.20 2.29 -1.08 -1.25 -4.54 116.67 113.87 1qfc s ASP 137 Ca 0.36 -1.38 0.00 0.00 -0.52 0.00 0.00 52.55 51.01 1qfc s ASP 137 Cb -0.00 -1.88 0.12 0.00 -1.46 0.00 0.00 42.92 39.70 1qfc s ASP 137 CO 0.21 -0.41 1.48 0.71 0.52 0.00 0.00 175.17 177.68 1qfc h THR 138 N 6.20 1.37 -0.68 1.71 1.35 -1.93 -1.79 112.91 119.14 1qfc h THR 138 Ca -0.21 -2.04 -0.03 0.00 -0.55 0.00 0.00 66.41 63.58 1qfc h THR 138 Cb 1.08 2.02 -0.03 0.00 -1.73 0.00 0.00 68.15 69.48 1qfc h THR 138 CO 0.65 0.61 0.32 0.58 -0.25 0.00 0.00 175.52 177.43 1qfc h VAL 139 N 0.27 1.22 0.00 6.82 2.07 -1.89 0.20 116.25 124.95 1qfc h VAL 139 Ca -0.02 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 1qfc h VAL 139 Cb 1.21 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1qfc h VAL 139 CO 0.11 0.27 -0.01 0.24 0.02 0.00 0.00 177.57 178.20 1qfc h MET 140 N 0.97 0.00 0.00 1.57 2.86 -1.90 -3.22 114.93 115.21 1qfc h MET 140 Ca 0.24 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.79 1qfc h MET 140 Cb 0.11 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1qfc h MET 140 CO -0.03 0.01 -1.55 -0.11 1.06 0.00 0.00 176.91 176.29 1qfc n LEU 141 N -3.10 0.53 0.00 1.22 7.94 -0.69 -1.98 117.00 120.93 1qfc n LEU 141 Ca 0.03 0.22 0.00 0.00 -1.11 0.00 0.00 56.01 55.15 1qfc n LEU 141 Cb 0.46 0.05 0.00 0.00 0.53 0.00 0.00 43.42 44.46 1qfc n LEU 141 CO 0.32 0.03 0.00 0.00 -1.11 0.00 0.00 177.39 176.63 1qfc n GLY 143 N 3.56 0.14 3.60 0.00 0.00 -1.26 -4.78 105.19 106.46 1qfc n GLY 143 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1qfc n GLY 143 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qfc n ASN 144 N 0.00 0.04 -0.91 1.61 3.02 -1.26 -5.13 115.26 112.63 1qfc n ASN 144 Ca 0.00 0.53 0.01 0.00 -0.03 0.00 0.00 54.58 55.08 1qfc n ASN 144 Cb 0.00 -1.40 -0.00 0.00 -0.61 0.00 0.00 39.78 37.77 1qfc n ASN 144 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1qfc n SER 145 N -2.51 0.23 -3.66 6.41 2.88 -1.26 -5.09 113.62 110.62 1qfc n SER 145 Ca 0.12 -1.86 -0.41 0.00 -1.33 0.00 0.00 58.87 55.38 1qfc n SER 145 Cb 0.51 -0.15 -0.01 0.00 -0.75 0.00 0.00 64.21 63.82 1qfc n SER 145 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1qfc n VAL 161 N 0.17 3.46 -2.73 2.46 0.31 -1.05 -4.92 118.33 116.04 1qfc n VAL 161 Ca -0.01 -2.86 -0.08 0.00 -0.01 0.00 0.00 64.34 61.38 1qfc n VAL 161 Cb 0.83 -2.59 0.07 0.00 -0.91 0.00 0.00 33.84 31.24 1qfc n VAL 161 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1qfc n ALA 162 N 5.82 -1.50 0.72 3.52 0.00 -0.83 -4.92 120.51 123.32 1qfc n ALA 162 Ca 0.55 -1.26 0.12 0.00 0.00 0.00 0.00 53.44 52.86 1qfc n ALA 162 Cb 0.37 -1.56 0.29 0.00 0.00 0.00 0.00 19.45 18.55 1qfc n ALA 162 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1qfc n ARG 163 N 1.11 0.19 0.04 0.00 0.63 -1.26 -3.06 116.66 114.31 1qfc n ARG 163 Ca 0.06 0.08 0.06 0.00 -0.92 0.00 0.00 57.85 57.14 1qfc n ARG 163 Cb 0.67 -1.65 -0.07 0.00 0.45 0.00 0.00 32.46 31.86 1qfc n ARG 163 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1qfc n THR 164 N -1.94 0.71 -0.01 5.15 -1.04 -1.26 -3.07 114.28 112.82 1qfc n THR 164 Ca 0.05 -0.60 -0.13 0.00 -2.04 0.00 0.00 64.05 61.33 1qfc n THR 164 Cb 0.40 -0.40 -0.08 0.00 -1.82 0.00 0.00 70.33 68.43 1qfc n THR 164 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1qfc h GLN 165 N 0.00 0.08 -0.16 -2.82 4.15 -1.91 1.08 115.11 115.53 1qfc h GLN 165 Ca -0.09 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.27 1qfc h GLN 165 Cb 1.26 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.93 1qfc h GLN 165 CO 0.02 0.41 -0.04 1.25 -1.93 0.00 0.00 178.83 178.54 1qfc h LEU 166 N -0.25 0.22 -0.16 -2.39 5.85 -1.69 0.49 115.31 117.38 1qfc h LEU 166 Ca 0.01 -0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.58 1qfc h LEU 166 Cb 0.38 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1qfc h LEU 166 CO 0.00 0.30 -0.57 -1.28 -0.34 0.00 0.00 178.44 176.55 1qfc h SER 167 N 0.24 0.00 -0.04 1.25 0.87 -1.40 -3.01 113.55 111.46 1qfc h SER 167 Ca 0.05 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 1qfc h SER 167 Cb 0.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1qfc h SER 167 CO 0.01 0.57 -0.12 -0.25 -0.53 0.00 0.00 176.83 176.51 1qfc h TRP 168 N 0.00 0.20 -0.42 2.24 7.01 0.27 -3.10 115.95 122.15 1qfc h TRP 168 Ca -0.01 -0.08 0.01 0.00 2.11 0.00 0.00 58.89 60.93 1qfc h TRP 168 Cb 1.37 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 28.38 1qfc h TRP 168 CO 0.00 0.74 0.28 1.25 -2.79 0.00 0.00 178.44 177.92 1qfc h LEU 169 N -0.40 0.45 0.61 0.65 5.85 -1.03 -0.63 115.31 120.81 1qfc h LEU 169 Ca -0.00 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1qfc h LEU 169 Cb 0.74 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1qfc h LEU 169 CO 0.03 0.32 -0.33 0.50 -0.34 0.00 0.00 178.44 178.62 1qfc h LYS 170 N 0.53 -0.83 -0.38 1.25 1.63 -1.52 0.32 116.57 117.57 1qfc h LYS 170 Ca 0.16 0.06 0.07 0.00 -0.85 0.00 0.00 60.65 60.09 1qfc h LYS 170 Cb -0.00 0.19 -0.06 0.00 -0.60 0.00 0.00 32.23 31.75 1qfc h LYS 170 CO -0.04 -0.55 -0.02 -0.22 -3.45 0.00 0.00 179.45 175.17 1qfc h LYS 171 N -0.86 0.08 -0.08 1.90 3.64 -1.44 0.19 116.57 120.00 1qfc h LYS 171 Ca -0.08 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1qfc h LYS 171 Cb 0.68 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.43 1qfc h LYS 171 CO 0.11 0.05 -0.39 1.96 -2.27 0.00 0.00 179.45 178.91 1qfc h GLN 172 N 0.08 -0.42 -0.23 1.90 1.08 -1.03 0.32 115.11 116.82 1qfc h GLN 172 Ca 0.18 0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 1qfc h GLN 172 Cb 0.26 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 1qfc h GLN 172 CO -0.33 -0.28 0.11 -0.07 -0.95 0.00 0.00 178.83 177.32 1qfc h LEU 173 N -0.43 0.27 -0.06 1.46 3.38 -0.75 0.71 115.31 119.88 1qfc h LEU 173 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qfc h LEU 173 Cb 0.50 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1qfc h LEU 173 CO -0.31 0.24 0.00 0.00 0.09 0.00 0.00 178.44 178.46 1qfc h ALA 174 N 1.81 1.00 0.00 1.53 0.00 -0.40 -3.29 119.26 119.91 1qfc h ALA 174 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1qfc h ALA 174 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1qfc h ALA 174 CO -0.01 0.00 -1.27 0.00 0.00 0.00 0.00 179.25 177.97 1qfc n ALA 175 N -1.98 2.88 -1.78 0.00 0.00 0.11 -5.00 120.51 114.75 1qfc n ALA 175 Ca 0.04 -0.33 -0.41 0.00 0.00 0.00 0.00 53.44 52.75 1qfc n ALA 175 Cb 0.48 -0.46 -0.01 0.00 0.00 0.00 0.00 19.45 19.46 1qfc n ALA 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qfc s ALA 176 N -2.68 3.54 0.00 0.00 0.00 0.23 -4.93 121.76 117.92 1qfc s ALA 176 Ca -0.02 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1qfc s ALA 176 Cb 0.09 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1qfc s ALA 176 CO 0.54 -0.83 0.73 1.63 0.00 0.00 0.00 175.76 177.83 1qfc n LYS 177 N 0.69 1.36 -0.53 0.00 4.76 -1.26 -4.99 118.16 118.20 1qfc n LYS 177 Ca 0.01 -0.99 -0.30 0.00 -2.87 0.00 0.00 58.31 54.16 1qfc n LYS 177 Cb 0.41 -0.87 0.23 0.00 -1.84 0.00 0.00 35.03 32.96 1qfc n LYS 177 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1qfc n GLU 178 N -0.26 -2.33 0.06 1.97 -0.58 -1.26 -4.93 120.64 113.31 1qfc n GLU 178 Ca 0.00 -0.66 -0.05 0.00 -0.42 0.00 0.00 57.16 56.03 1qfc n GLU 178 Cb 0.24 -1.97 -0.09 0.00 -0.57 0.00 0.00 31.44 29.05 1qfc n GLU 178 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1qfc h ASP 179 N -2.53 0.00 -4.06 1.62 3.32 -1.21 -3.46 116.42 110.10 1qfc h ASP 179 Ca -0.60 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.03 1qfc h ASP 179 Cb 1.35 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.71 1qfc h ASP 179 CO 0.45 0.88 -0.76 -0.31 -1.72 0.00 0.00 179.24 177.78 1qfc s TYR 180 N -2.75 1.42 -0.16 4.55 1.51 -0.85 -5.00 117.35 116.08 1qfc s TYR 180 Ca 0.00 -0.54 -0.04 0.00 -1.01 0.00 0.00 57.07 55.48 1qfc s TYR 180 Cb 0.09 -0.75 0.07 0.00 -0.11 0.00 0.00 41.96 41.27 1qfc s TYR 180 CO 0.81 0.15 0.19 0.08 -1.11 0.00 0.00 175.55 175.66 1qfc s VAL 181 N -2.04 -0.28 0.15 0.71 1.01 -1.26 -1.48 120.40 117.22 1qfc s VAL 181 Ca 0.08 0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.17 1qfc s VAL 181 Cb -0.05 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 1qfc s VAL 181 CO 0.03 -0.09 0.00 -0.76 0.00 0.00 0.00 175.10 174.28 1qfc s LEU 182 N 2.30 3.36 -0.02 3.92 1.43 0.29 -0.60 118.68 129.36 1qfc s LEU 182 Ca 0.05 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1qfc s LEU 182 Cb -0.14 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.06 1qfc s LEU 182 CO -0.10 0.11 -0.02 -0.69 0.23 0.00 0.00 176.35 175.88 1qfc s VAL 183 N -1.62 0.25 0.10 -1.59 1.01 -0.95 -1.24 120.40 116.36 1qfc s VAL 183 Ca 0.27 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.25 1qfc s VAL 183 Cb -0.10 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 1qfc s VAL 183 CO 0.19 0.12 -0.09 0.00 0.00 0.00 0.00 175.10 175.32 1qfc s ALA 184 N 0.55 1.07 0.21 5.51 0.00 -0.78 -1.12 121.76 127.20 1qfc s ALA 184 Ca -0.06 -1.23 -0.15 0.00 0.00 0.00 0.00 51.96 50.52 1qfc s ALA 184 Cb -0.09 0.07 0.05 0.00 0.00 0.00 0.00 23.12 23.16 1qfc s ALA 184 CO -0.01 -0.10 0.74 0.41 0.00 0.00 0.00 175.76 176.81 1qfc n GLY 185 N 0.38 0.92 0.13 0.00 0.00 -1.00 -1.49 105.19 104.13 1qfc n GLY 185 Ca -0.15 -1.14 -0.20 0.00 0.00 0.00 0.00 46.02 44.54 1qfc n GLY 185 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1qfc n HIS 186 N -0.51 0.82 -2.78 1.61 -0.00 -1.26 -3.93 115.22 109.16 1qfc n HIS 186 Ca -0.04 0.18 -0.35 0.00 0.46 0.00 0.00 57.72 57.97 1qfc n HIS 186 Cb 0.46 -1.11 -0.07 0.00 -0.12 0.00 0.00 29.99 29.16 1qfc n HIS 186 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 1qfc s TYR 187 N -2.55 3.51 0.47 1.57 2.02 -1.26 -2.69 117.35 118.42 1qfc s TYR 187 Ca -0.26 1.71 -0.19 0.00 -0.37 0.00 0.00 57.07 57.96 1qfc s TYR 187 Cb 0.07 -2.90 -0.10 0.00 -0.40 0.00 0.00 41.96 38.63 1qfc s TYR 187 CO 0.72 0.04 0.97 -2.14 -1.57 0.00 0.00 175.55 173.57 1qfc s PRO 188 N -2.53 4.07 -0.12 -1.71 0.02 -1.26 -4.77 135.00 128.69 1qfc s PRO 188 Ca 0.55 1.10 -0.09 0.00 0.02 0.00 0.00 61.00 62.58 1qfc s PRO 188 Cb -0.15 -2.15 -0.03 0.00 0.02 0.00 0.00 34.50 32.19 1qfc s PRO 188 CO 0.20 -0.17 -0.18 -0.89 -0.33 0.00 0.00 177.00 175.62 1qfc n ILE 189 N -1.01 1.12 -4.38 2.83 5.41 -1.26 -2.53 119.36 119.53 1qfc n ILE 189 Ca 0.07 0.26 -0.34 0.00 1.00 0.00 0.00 62.75 63.74 1qfc n ILE 189 Cb 0.54 -2.19 -0.10 0.00 -0.71 0.00 0.00 39.64 37.18 1qfc n ILE 189 CO 0.00 0.00 0.00 0.26 0.00 0.00 0.00 176.55 176.81 1qfc s TRP 190 N -2.13 3.11 -0.30 1.39 0.23 -1.26 -2.92 118.94 117.06 1qfc s TRP 190 Ca -0.15 0.05 -0.20 0.00 -2.03 0.00 0.00 56.10 53.78 1qfc s TRP 190 Cb 0.02 -1.84 0.19 0.00 0.03 0.00 0.00 33.47 31.87 1qfc s TRP 190 CO 0.22 0.31 1.27 0.45 0.96 0.00 0.00 176.95 180.16 1qfc s SER 191 N -0.49 -0.15 0.03 2.95 0.15 -1.26 -4.84 113.70 110.09 1qfc s SER 191 Ca 0.08 0.25 0.24 0.00 0.70 0.00 0.00 55.95 57.22 1qfc s SER 191 Cb -0.12 0.72 0.25 0.00 -1.71 0.00 0.00 66.02 65.16 1qfc s SER 191 CO 0.02 -0.04 1.22 2.30 1.20 0.00 0.00 173.24 177.94 1qfc n ILE 192 N 2.58 0.10 -0.16 6.45 -5.35 -1.26 -2.83 119.36 118.90 1qfc n ILE 192 Ca -0.15 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 1qfc n ILE 192 Cb 0.57 0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.75 1qfc n ILE 192 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1qfc n ALA 193 N -1.64 0.00 -0.13 -1.28 0.00 -1.26 -0.62 120.51 115.59 1qfc n ALA 193 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.42 1qfc n ALA 193 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1qfc n ALA 193 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1qfc h GLU 194 N 0.00 -0.17 -0.02 0.00 9.09 -1.91 -3.03 114.58 118.54 1qfc h GLU 194 Ca 0.00 0.01 -0.06 0.00 0.05 0.00 0.00 59.36 59.36 1qfc h GLU 194 Cb 0.00 0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.14 1qfc h GLU 194 CO 0.00 -0.11 -0.23 0.45 0.05 0.00 0.00 179.01 179.17 1qfc h HIS 195 N -0.18 0.27 0.00 2.06 3.86 -1.91 -3.46 115.15 115.79 1qfc h HIS 195 Ca 0.20 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1qfc h HIS 195 Cb 0.49 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.92 1qfc h HIS 195 CO -0.49 0.89 0.00 0.41 0.86 0.00 0.00 177.93 179.60 1qfc n GLY 196 N 0.88 -2.34 3.53 2.45 0.00 -1.15 -4.90 105.19 103.67 1qfc n GLY 196 Ca -0.09 -1.56 -0.39 0.00 0.00 0.00 0.00 46.02 43.98 1qfc n GLY 196 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1qfc n PRO 197 N -0.68 0.80 -3.73 1.61 -0.02 -1.13 -4.68 135.00 127.17 1qfc n PRO 197 Ca 0.00 0.30 -0.38 0.00 -2.02 0.00 0.00 63.50 61.41 1qfc n PRO 197 Cb 0.00 -1.86 -0.12 0.00 -0.02 0.00 0.00 33.50 31.49 1qfc n PRO 197 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1qfc s THR 198 N -1.53 4.18 0.21 3.45 -4.23 -1.05 -5.00 115.64 111.67 1qfc s THR 198 Ca 0.68 -0.59 -0.19 0.00 -1.18 0.00 0.00 61.69 60.41 1qfc s THR 198 Cb -0.49 -3.14 0.18 0.00 1.34 0.00 0.00 72.50 70.39 1qfc s THR 198 CO 0.54 0.08 1.56 0.03 -0.54 0.00 0.00 174.62 176.29 1qfc h ARG 199 N 8.27 -0.06 -0.44 3.99 3.08 -1.90 -1.26 114.38 126.06 1qfc h ARG 199 Ca -0.32 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 1qfc h ARG 199 Cb 1.13 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.18 1qfc h ARG 199 CO 0.61 -0.04 0.24 0.00 -1.07 0.00 0.00 179.97 179.70 1qfc h LEU 201 N 0.61 0.54 -1.84 0.00 3.38 -1.61 0.25 115.31 116.64 1qfc h LEU 201 Ca 0.16 -0.69 0.07 0.00 0.09 0.00 0.00 57.88 57.51 1qfc h LEU 201 Cb 0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1qfc h LEU 201 CO -0.03 1.15 0.25 0.58 0.09 0.00 0.00 178.44 180.49 1qfc h VAL 202 N -0.02 0.92 0.07 1.22 2.07 -1.04 0.29 116.25 119.76 1qfc h VAL 202 Ca -0.05 -0.07 -0.27 0.00 0.82 0.00 0.00 66.70 67.13 1qfc h VAL 202 Cb 1.17 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1qfc h VAL 202 CO 0.10 0.04 -1.47 0.50 0.02 0.00 0.00 177.57 176.76 1qfc h LYS 203 N 0.20 0.15 0.02 1.57 3.64 -1.16 -3.38 116.57 117.61 1qfc h LYS 203 Ca 0.17 -0.26 -0.35 0.00 -1.27 0.00 0.00 60.65 58.94 1qfc h LYS 203 Cb 0.41 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.27 1qfc h LYS 203 CO -0.03 1.12 -2.11 0.09 -2.27 0.00 0.00 179.45 176.25 1qfc n ASN 204 N -4.02 0.97 -0.08 4.20 4.13 0.88 -4.58 115.26 116.76 1qfc n ASN 204 Ca -0.29 0.15 -0.09 0.00 1.68 0.00 0.00 54.58 56.03 1qfc n ASN 204 Cb 0.85 0.11 -0.04 0.00 -1.54 0.00 0.00 39.78 39.16 1qfc n ASN 204 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1qfc n LEU 205 N -3.05 1.85 -0.28 3.41 7.94 0.88 -4.48 117.00 123.27 1qfc n LEU 205 Ca -0.30 0.54 0.17 0.00 -1.11 0.00 0.00 56.01 55.31 1qfc n LEU 205 Cb 1.08 -0.86 0.32 0.00 0.53 0.00 0.00 43.42 44.49 1qfc n LEU 205 CO 0.41 -0.29 0.73 -1.14 -1.11 0.00 0.00 177.39 175.99 1qfc n ARG 206 N -4.55 -0.06 0.26 1.96 0.00 -0.32 0.15 116.66 114.10 1qfc n ARG 206 Ca -0.14 1.22 0.11 0.00 -0.00 0.00 0.00 57.85 59.04 1qfc n ARG 206 Cb 0.40 -2.01 0.71 0.00 0.00 0.00 0.00 32.46 31.55 1qfc n ARG 206 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 1qfc h PRO 207 N 0.00 0.00 0.00 -0.14 0.11 -1.80 -2.92 132.00 127.25 1qfc h PRO 207 Ca 0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.68 1qfc h PRO 207 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1qfc h PRO 207 CO -0.74 0.11 0.00 -0.07 -0.21 0.00 0.00 178.00 177.09 1qfc h LEU 208 N 0.00 0.00 0.19 2.35 3.38 0.11 -2.98 115.31 118.35 1qfc h LEU 208 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1qfc h LEU 208 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1qfc h LEU 208 CO 0.01 0.00 -0.09 -0.07 0.09 0.00 0.00 178.44 178.39 1qfc h LEU 209 N 0.00 -0.21 -1.62 1.67 3.38 -1.50 -3.04 115.31 113.98 1qfc h LEU 209 Ca 0.00 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1qfc h LEU 209 Cb 0.88 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1qfc h LEU 209 CO 0.00 0.21 -0.21 0.00 0.09 0.00 0.00 178.44 178.53 1qfc h ALA 210 N -1.17 1.42 0.01 1.53 0.00 -1.73 0.38 119.26 119.70 1qfc h ALA 210 Ca -0.03 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1qfc h ALA 210 Cb 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1qfc h ALA 210 CO 0.04 0.26 -0.04 0.00 0.00 0.00 0.00 179.25 179.51 1qfc h ALA 211 N 1.79 -0.05 -0.39 0.00 0.00 -1.61 -3.11 119.26 115.88 1qfc h ALA 211 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qfc h ALA 211 Cb 0.44 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1qfc h ALA 211 CO 0.03 -0.54 0.00 0.66 0.00 0.00 0.00 179.25 179.40 1qfc n TYR 212 N -5.15 0.93 -2.87 0.00 4.01 -1.15 -5.00 117.16 107.93 1qfc n TYR 212 Ca -0.06 -0.68 -0.10 0.00 -0.16 0.00 0.00 57.90 56.89 1qfc n TYR 212 Cb 0.08 -0.20 0.05 0.00 -0.31 0.00 0.00 39.34 38.96 1qfc n TYR 212 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qfc n GLY 213 N 0.26 0.00 3.73 2.72 0.00 0.06 -5.00 105.19 106.96 1qfc n GLY 213 Ca 0.19 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1qfc n GLY 213 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qfc s VAL 214 N -3.20 3.70 0.14 1.61 1.01 0.11 -4.71 120.40 119.06 1qfc s VAL 214 Ca 0.06 1.39 -0.13 0.00 0.00 0.00 0.00 61.98 63.30 1qfc s VAL 214 Cb -0.03 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 1qfc s VAL 214 CO 0.42 0.20 1.56 0.74 0.00 0.00 0.00 175.10 178.02 1qfc h THR 215 N 3.88 1.27 -2.42 3.92 2.02 -1.18 -3.43 112.91 116.96 1qfc h THR 215 Ca -0.44 -1.13 0.13 0.00 0.77 0.00 0.00 66.41 65.73 1qfc h THR 215 Cb 1.21 1.12 -0.11 0.00 -1.74 0.00 0.00 68.15 68.63 1qfc h THR 215 CO 0.75 0.39 0.45 0.00 0.37 0.00 0.00 175.52 177.48 1qfc s ALA 216 N -4.89 -1.68 -0.23 6.16 0.00 -1.25 -1.72 121.76 118.15 1qfc s ALA 216 Ca -0.12 0.46 0.02 0.00 0.00 0.00 0.00 51.96 52.31 1qfc s ALA 216 Cb 0.11 0.59 0.05 0.00 0.00 0.00 0.00 23.12 23.87 1qfc s ALA 216 CO 0.82 -0.89 -0.10 -0.47 0.00 0.00 0.00 175.76 175.13 1qfc s TYR 217 N -3.31 2.70 0.13 0.00 5.04 -0.60 -2.23 117.35 119.07 1qfc s TYR 217 Ca 0.08 -1.88 -0.11 0.00 -2.44 0.00 0.00 57.07 52.72 1qfc s TYR 217 Cb -0.02 -1.73 -0.06 0.00 0.35 0.00 0.00 41.96 40.50 1qfc s TYR 217 CO -0.03 -0.80 0.48 -0.51 -1.34 0.00 0.00 175.55 173.35 1qfc s LEU 218 N 1.30 4.32 0.22 6.97 1.02 -0.27 -1.54 118.68 130.69 1qfc s LEU 218 Ca -0.05 0.92 -0.22 0.00 0.02 0.00 0.00 54.13 54.80 1qfc s LEU 218 Cb -0.18 -3.20 0.06 0.00 0.02 0.00 0.00 46.19 42.90 1qfc s LEU 218 CO -0.07 0.11 0.94 0.00 0.02 0.00 0.00 176.35 177.35 1qfc n GLY 220 N -0.56 3.93 4.92 0.00 0.00 -1.10 -1.10 105.19 111.27 1qfc n GLY 220 Ca -0.05 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1qfc n GLY 220 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1qfc n HIS 221 N 0.00 0.00 -3.01 1.61 -0.00 -1.19 -4.31 115.22 108.32 1qfc n HIS 221 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.30 1qfc n HIS 221 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 29.94 1qfc n HIS 221 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1qfc s ASP 222 N 0.00 6.58 -0.80 0.26 1.01 -1.26 -4.95 116.67 117.51 1qfc s ASP 222 Ca 0.00 0.51 -0.25 0.00 0.71 0.00 0.00 52.55 53.52 1qfc s ASP 222 Cb 0.00 -2.38 -0.20 0.00 1.01 0.00 0.00 42.92 41.35 1qfc s ASP 222 CO 0.00 -0.59 1.90 1.41 0.21 0.00 0.00 175.17 178.09 1qfc n HIS 223 N 6.13 1.53 -3.95 4.23 8.25 -1.25 -4.21 115.22 125.96 1qfc n HIS 223 Ca 0.02 -1.07 0.02 0.00 -0.26 0.00 0.00 57.72 56.42 1qfc n HIS 223 Cb 0.48 -1.98 0.01 0.00 1.12 0.00 0.00 29.99 29.63 1qfc n HIS 223 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1qfc n ASN 224 N 12.62 -0.99 -4.25 0.41 0.23 -1.08 0.17 115.26 122.36 1qfc n ASN 224 Ca 0.46 -1.27 -0.33 0.00 -0.53 0.00 0.00 54.58 52.91 1qfc n ASN 224 Cb 0.44 1.55 -0.15 0.00 -2.08 0.00 0.00 39.78 39.54 1qfc n ASN 224 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1qfc s LEU 225 N 0.00 2.43 -0.04 -4.53 1.43 0.52 -2.80 118.68 115.68 1qfc s LEU 225 Ca 0.23 -0.49 -0.24 0.00 -1.03 0.00 0.00 54.13 52.59 1qfc s LEU 225 Cb -0.01 -1.55 0.05 0.00 0.03 0.00 0.00 46.19 44.71 1qfc s LEU 225 CO 0.00 0.08 0.53 0.00 0.23 0.00 0.00 176.35 177.19 1qfc s GLN 226 N 0.87 0.89 -0.10 1.70 -2.07 0.21 0.10 119.66 121.26 1qfc s GLN 226 Ca -0.04 0.09 0.02 0.00 -1.82 0.00 0.00 55.36 53.61 1qfc s GLN 226 Cb -0.15 0.41 0.01 0.00 -1.09 0.00 0.00 33.01 32.20 1qfc s GLN 226 CO -0.01 -0.27 -0.15 -0.47 -1.32 0.00 0.00 175.29 173.07 1qfc s TYR 227 N -1.21 1.89 0.33 9.60 5.04 0.05 -0.54 117.35 132.51 1qfc s TYR 227 Ca -0.12 -0.84 0.07 0.00 -2.44 0.00 0.00 57.07 53.74 1qfc s TYR 227 Cb -0.02 -1.36 -0.06 0.00 0.35 0.00 0.00 41.96 40.86 1qfc s TYR 227 CO 0.08 -0.42 -0.04 -0.51 -1.34 0.00 0.00 175.55 173.31 1qfc s LEU 228 N 0.86 2.58 -0.30 6.97 2.01 0.84 -1.71 118.68 129.94 1qfc s LEU 228 Ca -0.09 -1.25 -0.11 0.00 0.01 0.00 0.00 54.13 52.69 1qfc s LEU 228 Cb -0.15 -0.75 0.13 0.00 0.01 0.00 0.00 46.19 45.42 1qfc s LEU 228 CO 0.01 -0.35 0.68 -1.58 1.01 0.00 0.00 176.35 176.11 1qfc s GLN 229 N -3.71 0.58 0.69 1.70 0.74 0.29 0.54 119.66 120.49 1qfc s GLN 229 Ca 0.32 1.38 -0.10 0.00 0.05 0.00 0.00 55.36 57.00 1qfc s GLN 229 Cb 0.05 0.75 0.02 0.00 1.10 0.00 0.00 33.01 34.93 1qfc s GLN 229 CO 0.15 -0.19 1.07 0.16 -0.55 0.00 0.00 175.29 175.93 1qfc s ASP 230 N 2.70 5.39 0.00 6.67 1.47 -1.03 -4.21 116.67 127.65 1qfc s ASP 230 Ca -0.06 1.02 0.01 0.00 1.18 0.00 0.00 52.55 54.70 1qfc s ASP 230 Cb -0.11 -1.82 0.08 0.00 -0.34 0.00 0.00 42.92 40.74 1qfc s ASP 230 CO -0.19 -1.34 0.33 -1.84 0.68 0.00 0.00 175.17 172.81 1qfc n GLU 231 N -2.96 0.18 0.00 2.11 0.00 -1.26 -1.04 120.64 117.67 1qfc n GLU 231 Ca 0.07 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.29 1qfc n GLU 231 Cb 0.58 -1.12 -0.05 0.00 0.00 0.00 0.00 31.44 30.84 1qfc n GLU 231 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1qfc n ASN 232 N -0.62 0.96 0.00 -1.84 3.02 -1.26 -4.98 115.26 110.54 1qfc n ASN 232 Ca 0.01 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 1qfc n ASN 232 Cb 0.00 0.83 0.00 0.00 -0.61 0.00 0.00 39.78 40.00 1qfc n ASN 232 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qfc n GLY 233 N 1.26 0.80 3.73 7.41 0.00 -0.21 -5.03 105.19 113.14 1qfc n GLY 233 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1qfc n GLY 233 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qfc s VAL 234 N -2.28 3.06 0.32 1.61 1.01 -1.26 -4.89 120.40 117.98 1qfc s VAL 234 Ca 0.00 0.80 0.01 0.00 0.00 0.00 0.00 61.98 62.79 1qfc s VAL 234 Cb 0.00 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 1qfc s VAL 234 CO 0.00 0.09 0.51 -0.83 0.00 0.00 0.00 175.10 174.87 1qfc s GLY 235 N 0.83 1.34 -0.32 4.51 0.00 -0.70 -2.46 107.32 110.52 1qfc s GLY 235 Ca 0.63 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 44.40 1qfc s GLY 235 CO 0.34 -0.91 0.09 -0.19 0.00 0.00 0.00 173.10 172.43 1qfc s TYR 236 N -2.24 2.08 -0.51 1.90 1.51 0.19 -1.56 117.35 118.71 1qfc s TYR 236 Ca 0.39 -1.97 -0.19 0.00 -1.01 0.00 0.00 57.07 54.29 1qfc s TYR 236 Cb -0.10 -1.94 0.06 0.00 -0.11 0.00 0.00 41.96 39.88 1qfc s TYR 236 CO 0.34 -0.89 0.61 0.08 -1.11 0.00 0.00 175.55 174.59 1qfc s VAL 237 N 1.48 4.90 -0.43 0.71 1.01 -0.59 -0.11 120.40 127.37 1qfc s VAL 237 Ca 0.10 -0.61 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 1qfc s VAL 237 Cb -0.18 -4.30 0.10 0.00 0.00 0.00 0.00 36.38 32.00 1qfc s VAL 237 CO -0.22 -0.82 0.26 -0.22 0.00 0.00 0.00 175.10 174.10 1qfc s LEU 238 N 2.53 5.27 -0.41 3.92 0.20 0.30 -0.87 118.68 129.63 1qfc s LEU 238 Ca 0.14 -1.72 0.08 0.00 0.69 0.00 0.00 54.13 53.31 1qfc s LEU 238 Cb -0.20 -1.95 0.43 0.00 -0.43 0.00 0.00 46.19 44.04 1qfc s LEU 238 CO 0.11 -0.57 1.08 -1.54 -0.29 0.00 0.00 176.35 175.13 1qfc n SER 239 N 4.83 4.05 -4.01 3.68 3.41 -0.26 -0.62 113.62 124.69 1qfc n SER 239 Ca -0.08 -3.51 -0.43 0.00 -0.26 0.00 0.00 58.87 54.59 1qfc n SER 239 Cb 0.42 -0.47 0.01 0.00 -0.26 0.00 0.00 64.21 63.90 1qfc n SER 239 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qfc n GLY 240 N -0.40 5.11 2.50 5.00 0.00 -1.12 -2.98 105.19 113.30 1qfc n GLY 240 Ca 0.33 -2.64 -0.14 0.00 0.00 0.00 0.00 46.02 43.57 1qfc n GLY 240 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qfc n ALA 241 N 1.52 3.11 0.92 4.61 0.00 -1.16 -2.63 120.51 126.88 1qfc n ALA 241 Ca 0.27 -3.38 0.11 0.00 0.00 0.00 0.00 53.44 50.44 1qfc n ALA 241 Cb 0.34 -0.90 0.02 0.00 0.00 0.00 0.00 19.45 18.90 1qfc n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qfc n GLY 242 N 0.02 -1.11 0.00 0.00 0.00 -0.91 -1.75 105.19 101.45 1qfc n GLY 242 Ca 0.17 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1qfc n GLY 242 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qfc n ASN 243 N -1.57 1.11 -4.53 1.61 5.15 -0.97 -3.12 115.26 112.94 1qfc n ASN 243 Ca 0.04 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.77 1qfc n ASN 243 Cb 0.35 0.01 -0.10 0.00 -0.53 0.00 0.00 39.78 39.51 1qfc n ASN 243 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1qfc s PHE 244 N -1.27 2.38 -0.14 1.20 0.08 -1.26 -4.55 117.98 114.43 1qfc s PHE 244 Ca 0.00 -0.45 -0.04 0.00 0.12 0.00 0.00 56.93 56.56 1qfc s PHE 244 Cb 0.00 -1.27 0.06 0.00 -0.57 0.00 0.00 43.02 41.24 1qfc s PHE 244 CO 0.00 0.62 0.11 1.41 -0.10 0.00 0.00 175.22 177.27 1qfc s MET 245 N -3.58 0.05 -0.21 0.44 1.75 -1.26 -4.51 119.30 111.98 1qfc s MET 245 Ca 0.32 0.16 -0.03 0.00 -1.25 0.00 0.00 55.69 54.89 1qfc s MET 245 Cb 0.00 -1.22 0.00 0.00 2.84 0.00 0.00 34.83 36.45 1qfc s MET 245 CO 0.16 -0.54 -0.08 0.34 -0.65 0.00 0.00 175.02 174.24 1qfc s ASP 246 N 2.20 4.00 0.00 1.11 -1.08 0.44 -4.82 116.67 118.52 1qfc s ASP 246 Ca 0.04 -0.47 0.27 0.00 -0.52 0.00 0.00 52.55 51.86 1qfc s ASP 246 Cb -0.15 -1.67 1.55 0.00 -1.46 0.00 0.00 42.92 41.20 1qfc s ASP 246 CO -0.08 -0.02 1.94 -0.81 0.52 0.00 0.00 175.17 176.72 1qfc n PRO 247 N 4.75 0.76 -2.18 4.34 -0.04 -0.65 -4.63 135.00 137.35 1qfc n PRO 247 Ca -0.19 0.01 -0.37 0.00 -0.04 0.00 0.00 63.50 62.91 1qfc n PRO 247 Cb 0.50 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1qfc n PRO 247 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1qfc s SER 248 N -2.10 6.04 0.00 3.54 0.15 -1.26 -4.95 113.70 115.12 1qfc s SER 248 Ca 0.38 2.38 0.20 0.00 0.70 0.00 0.00 55.95 59.61 1qfc s SER 248 Cb 0.18 -2.61 0.33 0.00 -1.71 0.00 0.00 66.02 62.22 1qfc s SER 248 CO 0.33 -1.01 1.13 1.33 1.20 0.00 0.00 173.24 176.21 1qfc n VAL 249 N -0.55 0.00 0.21 4.45 0.24 -1.25 -3.91 118.33 117.52 1qfc n VAL 249 Ca 0.08 -0.77 0.15 0.00 -2.04 0.00 0.00 64.34 61.76 1qfc n VAL 249 Cb 0.47 0.88 0.62 0.00 -1.47 0.00 0.00 33.84 34.34 1qfc n VAL 249 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1qfc h ARG 250 N 0.77 0.00 -0.42 7.34 2.43 -1.70 -1.08 114.38 121.72 1qfc h ARG 250 Ca -0.29 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.77 1qfc h ARG 250 Cb 1.78 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 31.27 1qfc h ARG 250 CO 0.02 0.00 0.06 0.72 -1.51 0.00 0.00 179.97 179.26 1qfc n HIS 251 N -3.08 1.42 -0.06 2.20 8.25 0.21 -4.57 115.22 119.59 1qfc n HIS 251 Ca 0.04 -1.15 -0.08 0.00 -0.26 0.00 0.00 57.72 56.27 1qfc n HIS 251 Cb 0.68 -0.47 -0.01 0.00 1.12 0.00 0.00 29.99 31.31 1qfc n HIS 251 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1qfc h GLN 252 N 1.86 0.11 -0.34 -0.41 4.20 -1.18 -1.07 115.11 118.28 1qfc h GLN 252 Ca 0.13 -0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.91 1qfc h GLN 252 Cb 1.76 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.50 1qfc h GLN 252 CO 0.41 0.07 0.24 0.00 -0.67 0.00 0.00 178.83 178.89 1qfc h ARG 253 N 0.11 0.11 0.00 1.46 2.47 -1.83 -2.04 114.38 114.66 1qfc h ARG 253 Ca 0.12 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1qfc h ARG 253 Cb 0.14 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 1qfc h ARG 253 CO -0.18 0.07 0.00 1.63 0.56 0.00 0.00 179.97 182.05 1qfc n LYS 254 N -4.46 0.17 -3.71 0.04 4.01 -0.41 -4.68 118.16 109.11 1qfc n LYS 254 Ca 0.05 0.05 -0.38 0.00 -0.51 0.00 0.00 58.31 57.52 1qfc n LYS 254 Cb 0.34 -1.50 -0.12 0.00 -0.51 0.00 0.00 35.03 33.24 1qfc n LYS 254 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1qfc s VAL 255 N -2.81 4.37 -0.35 -0.18 1.01 -0.77 -4.92 120.40 116.75 1qfc s VAL 255 Ca 0.18 -0.40 -0.34 0.00 0.00 0.00 0.00 61.98 61.43 1qfc s VAL 255 Cb 0.17 -3.17 -0.10 0.00 0.00 0.00 0.00 36.38 33.28 1qfc s VAL 255 CO 0.44 0.16 2.22 -0.81 0.00 0.00 0.00 175.10 177.11 1qfc n PRO 256 N 4.94 1.18 -0.78 2.72 -0.04 -1.26 -4.79 135.00 136.96 1qfc n PRO 256 Ca -0.15 0.31 -0.31 0.00 -0.04 0.00 0.00 63.50 63.31 1qfc n PRO 256 Cb 0.50 -2.60 -0.04 0.00 -0.04 0.00 0.00 33.50 31.32 1qfc n PRO 256 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1qfc n ASN 257 N 10.40 0.09 0.00 3.54 4.13 -1.26 -2.58 115.26 129.57 1qfc n ASN 257 Ca 0.40 0.59 0.00 0.00 1.68 0.00 0.00 54.58 57.25 1qfc n ASN 257 Cb 0.27 -0.46 0.00 0.00 -1.54 0.00 0.00 39.78 38.04 1qfc n ASN 257 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1qfc n GLY 258 N 0.95 2.80 0.19 7.41 0.00 -1.26 -4.94 105.19 110.33 1qfc n GLY 258 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 1qfc n GLY 258 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1qfc h TYR 259 N 0.00 0.82 -2.84 1.61 -1.99 -1.67 -3.44 116.97 109.47 1qfc h TYR 259 Ca 0.00 -0.35 -0.53 0.00 2.00 0.00 0.00 58.73 59.85 1qfc h TYR 259 Cb 0.00 -0.13 0.02 0.00 2.00 0.00 0.00 36.73 38.62 1qfc h TYR 259 CO 0.00 1.14 0.87 -1.17 -0.00 0.00 0.00 178.16 179.00 1qfc s LEU 260 N -8.58 4.35 0.00 3.88 2.96 -1.26 -0.55 118.68 119.48 1qfc s LEU 260 Ca -0.12 2.36 0.00 0.00 -0.22 0.00 0.00 54.13 56.15 1qfc s LEU 260 Cb 0.07 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.19 1qfc s LEU 260 CO 0.85 -0.78 0.00 0.54 -1.32 0.00 0.00 176.35 175.64 1qfc n ARG 261 N 4.96 2.43 -3.66 1.98 5.12 -0.69 -4.95 116.66 121.84 1qfc n ARG 261 Ca 0.14 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.95 1qfc n ARG 261 Cb 0.42 -0.91 -0.08 0.00 -1.16 0.00 0.00 32.46 30.72 1qfc n ARG 261 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1qfc s PHE 262 N -1.76 -0.78 -0.14 -1.55 5.36 -0.85 -4.97 117.98 113.28 1qfc s PHE 262 Ca 0.00 1.73 -0.09 0.00 -0.96 0.00 0.00 56.93 57.61 1qfc s PHE 262 Cb 0.00 0.36 0.05 0.00 -0.34 0.00 0.00 43.02 43.09 1qfc s PHE 262 CO 0.00 -0.39 0.35 -1.58 -1.46 0.00 0.00 175.22 172.14 1qfc s HIS 263 N 0.89 -0.47 -0.08 10.12 5.65 -1.26 -0.77 115.29 129.38 1qfc s HIS 263 Ca -0.05 1.05 -0.03 0.00 0.25 0.00 0.00 55.06 56.28 1qfc s HIS 263 Cb -0.05 0.17 0.05 0.00 -1.18 0.00 0.00 32.58 31.56 1qfc s HIS 263 CO -0.08 -0.27 0.16 -0.47 -0.65 0.00 0.00 174.74 173.44 1qfc s TYR 264 N 0.99 -0.18 -0.11 3.88 5.04 0.29 -4.99 117.35 122.27 1qfc s TYR 264 Ca -0.07 0.60 0.11 0.00 -2.44 0.00 0.00 57.07 55.28 1qfc s TYR 264 Cb -0.07 -0.25 0.25 0.00 0.35 0.00 0.00 41.96 42.23 1qfc s TYR 264 CO -0.08 -0.26 1.18 0.41 -1.34 0.00 0.00 175.55 175.46 1qfc n GLY 265 N 5.26 1.12 3.65 8.97 0.00 -1.26 -0.36 105.19 122.56 1qfc n GLY 265 Ca -0.06 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 1qfc n GLY 265 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qfc n SER 266 N -0.33 1.07 0.20 1.61 3.41 -1.26 -1.63 113.62 116.68 1qfc n SER 266 Ca -0.15 0.77 -0.14 0.00 -0.26 0.00 0.00 58.87 59.10 1qfc n SER 266 Cb 0.85 -1.44 -0.08 0.00 -0.26 0.00 0.00 64.21 63.28 1qfc n SER 266 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1qfc h GLU 267 N 0.28 -0.51 0.00 4.33 4.57 -1.95 -3.23 114.58 118.08 1qfc h GLU 267 Ca -0.49 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 1qfc h GLU 267 Cb 1.35 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 30.06 1qfc h GLU 267 CO 0.50 -0.20 0.00 -0.25 -1.18 0.00 0.00 179.01 177.88 1qfc n ASP 268 N -5.20 0.00 -4.85 1.04 8.00 -1.26 -4.76 116.55 109.52 1qfc n ASP 268 Ca -0.10 0.12 -0.36 0.00 0.71 0.00 0.00 54.79 55.17 1qfc n ASP 268 Cb 0.28 -0.23 -0.06 0.00 -0.02 0.00 0.00 41.12 41.09 1qfc n ASP 268 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1qfc s SER 269 N -2.47 6.74 0.00 -2.24 0.15 -1.22 -5.09 113.70 109.57 1qfc s SER 269 Ca 0.07 0.91 0.00 0.00 0.70 0.00 0.00 55.95 57.63 1qfc s SER 269 Cb 0.04 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 1qfc s SER 269 CO 0.09 0.19 0.00 0.18 1.20 0.00 0.00 173.24 174.90 1qfc n LEU 270 N 1.08 0.00 0.00 3.45 4.77 -1.26 -4.89 117.00 120.15 1qfc n LEU 270 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1qfc n LEU 270 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1qfc n LEU 270 CO 0.41 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1qfc n GLY 271 N 4.10 -3.12 0.00 -0.72 0.00 -1.26 -4.76 105.19 99.42 1qfc n GLY 271 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1qfc n GLY 271 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qfc n GLY 272 N 0.20 2.68 0.61 -0.02 0.00 -0.72 -2.46 105.19 105.48 1qfc n GLY 272 Ca 0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 46.02 45.43 1qfc n GLY 272 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1qfc n PHE 273 N -0.70 -1.04 -4.35 1.61 -1.74 0.78 -4.07 117.46 107.94 1qfc n PHE 273 Ca 0.00 -0.34 -0.27 0.00 -0.56 0.00 0.00 57.45 56.28 1qfc n PHE 273 Cb 0.00 0.14 -0.13 0.00 1.52 0.00 0.00 39.48 41.01 1qfc n PHE 273 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 1qfc s THR 274 N -2.75 2.07 -0.07 1.97 -4.23 -1.18 -0.81 115.64 110.65 1qfc s THR 274 Ca 0.03 -1.69 0.05 0.00 -1.18 0.00 0.00 61.69 58.90 1qfc s THR 274 Cb -0.01 -1.85 -0.00 0.00 1.34 0.00 0.00 72.50 71.98 1qfc s THR 274 CO 0.02 0.04 -0.22 -0.47 -0.54 0.00 0.00 174.62 173.45 1qfc s TYR 275 N -1.10 2.23 -0.02 3.99 5.04 -0.04 -1.68 117.35 125.76 1qfc s TYR 275 Ca 0.11 -0.77 0.07 0.00 -2.44 0.00 0.00 57.07 54.04 1qfc s TYR 275 Cb -0.10 -1.49 -0.02 0.00 0.35 0.00 0.00 41.96 40.70 1qfc s TYR 275 CO 0.05 -0.28 -0.22 0.08 -1.34 0.00 0.00 175.55 173.84 1qfc s VAL 276 N 0.14 1.75 -0.21 3.14 1.01 -0.45 -1.42 120.40 124.34 1qfc s VAL 276 Ca -0.10 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 60.90 1qfc s VAL 276 Cb -0.15 -1.45 0.08 0.00 0.00 0.00 0.00 36.38 34.85 1qfc s VAL 276 CO 0.05 0.49 0.12 -0.70 0.00 0.00 0.00 175.10 175.07 1qfc s GLU 277 N -0.46 0.12 -0.26 2.72 2.12 -0.71 -1.90 118.70 120.33 1qfc s GLU 277 Ca 0.07 -0.19 -0.11 0.00 0.36 0.00 0.00 54.97 55.10 1qfc s GLU 277 Cb -0.09 -1.53 -0.05 0.00 0.26 0.00 0.00 34.13 32.72 1qfc s GLU 277 CO -0.00 -0.78 0.21 0.42 -0.54 0.00 0.00 175.26 174.56 1qfc s ILE 278 N 2.15 5.31 0.00 -3.70 1.01 -0.08 -1.15 121.20 124.75 1qfc s ILE 278 Ca 0.05 0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.94 1qfc s ILE 278 Cb -0.16 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.76 1qfc s ILE 278 CO -0.18 0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.64 1qfc n GLY 279 N 4.68 4.34 0.32 6.18 0.00 -0.16 -1.29 105.19 119.26 1qfc n GLY 279 Ca -0.13 -2.17 0.05 0.00 0.00 0.00 0.00 46.02 43.76 1qfc n GLY 279 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1qfc h SER 280 N 0.00 0.52 0.00 1.61 0.87 -1.95 -3.35 113.55 111.25 1qfc h SER 280 Ca 0.00 -0.01 -0.29 0.00 -1.23 0.00 0.00 61.79 60.26 1qfc h SER 280 Cb 0.00 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 61.79 1qfc h SER 280 CO 0.00 0.37 -1.93 0.29 -0.53 0.00 0.00 176.83 175.02 1qfc n LYS 281 N -4.47 0.53 -4.30 2.24 4.76 -1.26 -4.99 118.16 110.67 1qfc n LYS 281 Ca 0.05 0.23 -0.16 0.00 -2.87 0.00 0.00 58.31 55.56 1qfc n LYS 281 Cb 0.11 -1.40 -0.10 0.00 -1.84 0.00 0.00 35.03 31.80 1qfc n LYS 281 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1qfc s GLU 282 N -2.60 1.38 -0.18 1.97 1.03 -1.26 -2.92 118.70 116.12 1qfc s GLU 282 Ca -0.33 -1.74 -0.04 0.00 0.03 0.00 0.00 54.97 52.89 1qfc s GLU 282 Cb 0.10 -0.18 -0.02 0.00 -0.80 0.00 0.00 34.13 33.23 1qfc s GLU 282 CO 0.44 -0.31 -0.03 1.41 -1.33 0.00 0.00 175.26 175.43 1qfc s MET 283 N -4.05 3.56 0.01 -4.83 -2.45 0.09 -0.99 119.30 110.63 1qfc s MET 283 Ca 0.38 -0.56 0.02 0.00 -1.25 0.00 0.00 55.69 54.29 1qfc s MET 283 Cb 0.08 -2.97 -0.04 0.00 1.25 0.00 0.00 34.83 33.15 1qfc s MET 283 CO 0.13 0.06 -0.03 -1.12 1.05 0.00 0.00 175.02 175.12 1qfc s SER 284 N 0.84 4.90 -0.34 1.11 0.01 -0.30 0.11 113.70 120.04 1qfc s SER 284 Ca -0.01 -0.08 -0.00 0.00 1.31 0.00 0.00 55.95 57.17 1qfc s SER 284 Cb -0.14 -1.21 0.11 0.00 0.21 0.00 0.00 66.02 64.98 1qfc s SER 284 CO 0.02 0.27 0.13 -0.63 0.41 0.00 0.00 173.24 173.43 1qfc s ILE 285 N -1.07 1.00 -0.16 1.44 1.09 -0.24 -1.74 121.20 121.53 1qfc s ILE 285 Ca 0.19 -1.66 -0.07 0.00 -1.10 0.00 0.00 60.65 58.01 1qfc s ILE 285 Cb -0.11 -1.75 -0.04 0.00 -1.06 0.00 0.00 42.46 39.50 1qfc s ILE 285 CO 0.10 -0.73 0.09 0.28 -0.10 0.00 0.00 174.94 174.58 1qfc s THR 286 N 1.34 5.03 -0.27 2.92 -1.32 -0.51 -2.84 115.64 119.99 1qfc s THR 286 Ca 0.12 0.04 -0.15 0.00 -1.21 0.00 0.00 61.69 60.49 1qfc s THR 286 Cb -0.19 -3.24 -0.04 0.00 -1.51 0.00 0.00 72.50 67.53 1qfc s THR 286 CO -0.19 0.52 0.38 -0.31 -2.21 0.00 0.00 174.62 172.81 1qfc s TYR 287 N -0.17 3.25 -0.20 9.09 1.51 0.29 -0.86 117.35 130.26 1qfc s TYR 287 Ca 0.08 0.42 -0.04 0.00 -1.01 0.00 0.00 57.07 56.52 1qfc s TYR 287 Cb -0.12 -2.58 -0.02 0.00 -0.11 0.00 0.00 41.96 39.13 1qfc s TYR 287 CO 0.01 -0.24 -0.02 0.08 -1.11 0.00 0.00 175.55 174.27 1qfc s VAL 288 N 2.09 3.71 0.73 0.71 1.01 0.01 -1.26 120.40 127.40 1qfc s VAL 288 Ca 0.15 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 1qfc s VAL 288 Cb -0.16 -2.67 0.03 0.00 0.00 0.00 0.00 36.38 33.58 1qfc s VAL 288 CO 0.10 0.44 1.07 -0.70 0.00 0.00 0.00 175.10 176.01 1qfc s GLU 289 N 1.06 2.67 0.22 2.72 2.12 -0.88 -0.16 118.70 126.45 1qfc s GLU 289 Ca 0.01 0.94 -0.08 0.00 0.36 0.00 0.00 54.97 56.20 1qfc s GLU 289 Cb -0.14 -1.96 0.34 0.00 0.26 0.00 0.00 34.13 32.62 1qfc s GLU 289 CO 0.01 -1.29 1.71 0.00 -0.54 0.00 0.00 175.26 175.15 1qfc h ALA 290 N -0.86 0.80 -1.11 6.30 0.00 -1.78 -2.00 119.26 120.61 1qfc h ALA 290 Ca -0.44 0.13 0.30 0.00 0.00 0.00 0.00 54.91 54.90 1qfc h ALA 290 Cb 1.22 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 19.09 1qfc h ALA 290 CO 0.56 -0.29 0.73 0.77 0.00 0.00 0.00 179.25 181.03 1qfc h SER 291 N 0.30 0.32 0.00 0.00 0.02 -1.91 -3.42 113.55 108.85 1qfc h SER 291 Ca 0.34 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 1qfc h SER 291 Cb 0.52 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1qfc h SER 291 CO -0.41 0.03 0.00 0.61 -1.14 0.00 0.00 176.83 175.92 1qfc n GLY 292 N -1.55 1.61 3.74 -3.77 0.00 -0.75 -5.08 105.19 99.38 1qfc n GLY 292 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 1qfc n GLY 292 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qfc s LYS 293 N 0.00 4.37 -0.25 1.61 1.02 -1.26 -4.80 119.74 120.43 1qfc s LYS 293 Ca 0.00 2.08 -0.26 0.00 0.02 0.00 0.00 55.97 57.80 1qfc s LYS 293 Cb 0.00 -3.19 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 1qfc s LYS 293 CO 0.00 -0.29 0.91 -1.12 -0.92 0.00 0.00 175.35 173.93 1qfc s SER 294 N 0.42 6.90 0.00 2.83 0.01 -1.26 -2.08 113.70 120.52 1qfc s SER 294 Ca 0.58 1.10 0.17 0.00 1.31 0.00 0.00 55.95 59.10 1qfc s SER 294 Cb -0.37 -2.47 0.08 0.00 0.21 0.00 0.00 66.02 63.47 1qfc s SER 294 CO 0.38 -0.60 0.97 0.00 0.41 0.00 0.00 173.24 174.40 1qfc n LEU 295 N 6.19 2.13 -3.65 2.44 -0.00 -0.39 -4.99 117.00 118.74 1qfc n LEU 295 Ca 0.08 -0.91 -0.02 0.00 -0.00 0.00 0.00 56.01 55.15 1qfc n LEU 295 Cb 0.47 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.83 1qfc n LEU 295 CO 0.50 0.39 0.90 0.12 -0.00 0.00 0.00 177.39 179.29 1qfc s PHE 296 N -1.61 -0.28 0.04 1.47 5.36 -1.22 -5.00 117.98 116.74 1qfc s PHE 296 Ca 0.18 0.60 -0.02 0.00 -0.96 0.00 0.00 56.93 56.73 1qfc s PHE 296 Cb 0.14 0.28 -0.02 0.00 -0.34 0.00 0.00 43.02 43.07 1qfc s PHE 296 CO 0.29 -0.14 0.01 0.21 -1.46 0.00 0.00 175.22 174.13 1qfc s LYS 297 N 0.79 0.50 0.07 10.12 2.20 -1.26 0.10 119.74 132.25 1qfc s LYS 297 Ca -0.03 -0.85 -0.27 0.00 -0.36 0.00 0.00 55.97 54.47 1qfc s LYS 297 Cb -0.04 0.18 0.09 0.00 -1.51 0.00 0.00 37.83 36.55 1qfc s LYS 297 CO -0.12 -0.10 0.82 -0.08 -0.36 0.00 0.00 175.35 175.50 1qfc s THR 298 N -2.61 0.00 0.15 3.43 -1.32 -1.13 -5.00 115.64 109.15 1qfc s THR 298 Ca -0.05 -0.11 0.06 0.00 -1.21 0.00 0.00 61.69 60.37 1qfc s THR 298 Cb -0.01 -1.15 -0.04 0.00 -1.51 0.00 0.00 72.50 69.79 1qfc s THR 298 CO -0.05 0.00 -0.13 -0.94 -2.21 0.00 0.00 174.62 171.29 1qfc s SER 299 N -2.62 2.01 -0.05 8.08 1.04 -1.26 -1.08 113.70 119.83 1qfc s SER 299 Ca 0.05 -0.92 0.06 0.00 0.48 0.00 0.00 55.95 55.62 1qfc s SER 299 Cb -0.01 -0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.04 1qfc s SER 299 CO -0.08 -0.22 -0.23 -0.76 0.98 0.00 0.00 173.24 172.92 1qfc s LEU 300 N -2.87 2.04 0.92 2.42 1.43 0.31 -4.95 118.68 117.97 1qfc s LEU 300 Ca 0.14 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.67 1qfc s LEU 300 Cb -0.01 -1.27 0.14 0.00 0.03 0.00 0.00 46.19 45.08 1qfc s LEU 300 CO 0.03 0.24 1.11 -2.16 0.23 0.00 0.00 176.35 175.80 1qfc s PRO 301 N -0.21 1.04 0.00 1.29 0.04 -1.26 -0.73 135.00 135.17 1qfc s PRO 301 Ca -0.01 1.27 0.14 0.00 0.04 0.00 0.00 61.00 62.44 1qfc s PRO 301 Cb -0.12 -1.75 0.84 0.00 0.04 0.00 0.00 34.50 33.51 1qfc s PRO 301 CO 0.02 -2.52 1.26 -2.13 0.04 0.00 0.00 177.00 173.67