#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fqo h GLU 5 N 0.00 0.06 -0.96 1.45 4.22 -2.00 -1.65 114.58 115.71 2fqo h GLU 5 Ca 0.00 -0.00 0.06 0.00 0.08 0.00 0.00 59.36 59.50 2fqo h GLU 5 Cb 0.00 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.17 2fqo h GLU 5 CO 0.00 0.04 0.62 1.03 -2.18 0.00 0.00 179.01 178.52 2fqo h SER 6 N 0.06 0.98 0.29 1.04 0.87 -1.97 -1.09 113.55 113.72 2fqo h SER 6 Ca 0.27 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 2fqo h SER 6 Cb 0.42 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2fqo h SER 6 CO -0.50 0.63 -0.04 -0.26 -0.53 0.00 0.00 176.83 176.13 2fqo h PHE 7 N 1.11 0.00 -0.01 2.24 0.04 -1.81 -2.31 116.94 116.20 2fqo h PHE 7 Ca 0.41 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.18 2fqo h PHE 7 Cb 0.18 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.33 2fqo h PHE 7 CO -0.00 0.04 -0.19 0.39 -0.60 0.00 0.00 178.31 177.95 2fqo n GLU 8 N -3.40 1.14 -2.70 1.51 -0.58 -0.42 -4.88 120.64 111.30 2fqo n GLU 8 Ca -0.02 -0.70 -0.41 0.00 -0.42 0.00 0.00 57.16 55.61 2fqo n GLU 8 Cb 0.17 -1.49 -0.04 0.00 -0.57 0.00 0.00 31.44 29.51 2fqo n GLU 8 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2fqo s LEU 9 N -2.35 4.46 -0.89 -4.62 2.96 -0.87 -4.97 118.68 112.41 2fqo s LEU 9 Ca 0.28 1.79 -0.25 0.00 -0.22 0.00 0.00 54.13 55.72 2fqo s LEU 9 Cb 0.20 -3.58 0.04 0.00 0.50 0.00 0.00 46.19 43.34 2fqo s LEU 9 CO 0.47 -0.13 1.37 -0.62 -1.32 0.00 0.00 176.35 176.11 2fqo s ASP 10 N 0.27 6.34 0.56 3.68 -1.08 -1.26 -4.82 116.67 120.37 2fqo s ASP 10 Ca 0.49 -0.99 0.37 0.00 -0.52 0.00 0.00 52.55 51.89 2fqo s ASP 10 Cb -0.23 -2.57 1.80 0.00 -1.46 0.00 0.00 42.92 40.46 2fqo s ASP 10 CO 0.30 -1.66 2.11 0.45 0.52 0.00 0.00 175.17 176.89 2fqo h HIS 11 N 9.91 0.00 0.00 -5.34 3.86 -1.93 -1.90 115.15 119.75 2fqo h HIS 11 Ca -0.02 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 2fqo h HIS 11 Cb 1.03 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.50 2fqo h HIS 11 CO 1.21 0.00 -0.07 -0.91 0.86 0.00 0.00 177.93 179.03 2fqo h ASN 12 N 0.00 0.00 0.35 2.45 2.35 -1.92 -3.34 115.58 115.47 2fqo h ASN 12 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2fqo h ASN 12 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2fqo h ASN 12 CO 0.00 0.07 -1.45 0.00 -1.65 0.00 0.00 177.43 174.40 2fqo n ALA 13 N -2.12 3.03 -1.50 -0.83 0.00 -0.72 -4.97 120.51 113.40 2fqo n ALA 13 Ca 0.04 -0.43 -0.30 0.00 0.00 0.00 0.00 53.44 52.74 2fqo n ALA 13 Cb 0.55 -0.89 0.08 0.00 0.00 0.00 0.00 19.45 19.19 2fqo n ALA 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2fqo s VAL 14 N -3.37 3.40 -0.28 0.00 -7.23 -1.17 -4.61 120.40 107.15 2fqo s VAL 14 Ca -0.02 0.46 -0.02 0.00 -1.81 0.00 0.00 61.98 60.58 2fqo s VAL 14 Cb 0.13 -3.16 0.09 0.00 0.56 0.00 0.00 36.38 34.01 2fqo s VAL 14 CO 0.85 -0.60 0.10 -0.69 -0.31 0.00 0.00 175.10 174.45 2fqo s VAL 15 N -3.08 0.50 0.61 1.32 1.01 0.26 -4.91 120.40 116.10 2fqo s VAL 15 Ca 0.60 -1.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.46 2fqo s VAL 15 Cb -0.15 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 2fqo s VAL 15 CO 0.55 -0.60 0.99 0.00 0.00 0.00 0.00 175.10 176.04 2fqo s ALA 16 N 1.82 3.13 0.47 5.51 0.00 -1.26 -4.44 121.76 126.99 2fqo s ALA 16 Ca 0.07 -0.22 -0.20 0.00 0.00 0.00 0.00 51.96 51.62 2fqo s ALA 16 Cb -0.17 -2.97 -0.09 0.00 0.00 0.00 0.00 23.12 19.89 2fqo s ALA 16 CO -0.25 -0.69 0.99 -2.14 0.00 0.00 0.00 175.76 173.66 2fqo s PRO 17 N -5.12 3.99 0.25 0.00 0.02 -1.26 -4.86 135.00 128.02 2fqo s PRO 17 Ca 0.54 1.19 -0.20 0.00 0.02 0.00 0.00 61.00 62.54 2fqo s PRO 17 Cb -0.11 -2.13 0.03 0.00 0.02 0.00 0.00 34.50 32.30 2fqo s PRO 17 CO 0.52 -0.25 0.66 1.52 -0.33 0.00 0.00 177.00 179.12 2fqo s TYR 18 N -2.19 -0.19 -0.18 6.54 -0.85 -0.31 -4.45 117.35 115.72 2fqo s TYR 18 Ca 0.63 -0.21 0.01 0.00 -0.52 0.00 0.00 57.07 56.99 2fqo s TYR 18 Cb -0.12 0.62 0.03 0.00 0.38 0.00 0.00 41.96 42.87 2fqo s TYR 18 CO 0.19 -1.13 -0.14 0.08 -1.52 0.00 0.00 175.55 173.03 2fqo s VAL 19 N -3.90 1.77 -0.13 -3.49 1.01 -0.28 -1.36 120.40 114.03 2fqo s VAL 19 Ca 0.10 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.17 2fqo s VAL 19 Cb -0.04 -1.73 -0.00 0.00 0.00 0.00 0.00 36.38 34.61 2fqo s VAL 19 CO 0.03 0.33 -0.20 -0.60 0.00 0.00 0.00 175.10 174.67 2fqo s ARG 20 N 1.37 3.14 -0.93 2.72 3.52 -0.39 -4.73 118.95 123.65 2fqo s ARG 20 Ca 0.02 -0.81 -0.22 0.00 -0.13 0.00 0.00 55.73 54.59 2fqo s ARG 20 Cb -0.15 -2.46 0.08 0.00 -1.56 0.00 0.00 34.95 30.86 2fqo s ARG 20 CO -0.10 0.11 1.29 -1.58 -0.81 0.00 0.00 175.30 174.21 2fqo s HIS 21 N 0.55 2.71 -0.24 5.12 5.65 -1.26 0.23 115.29 128.05 2fqo s HIS 21 Ca -0.12 -0.93 0.21 0.00 0.25 0.00 0.00 55.06 54.47 2fqo s HIS 21 Cb -0.17 -4.52 0.04 0.00 -1.18 0.00 0.00 32.58 26.75 2fqo s HIS 21 CO 0.04 -1.78 1.14 0.00 -0.65 0.00 0.00 174.74 173.49 2fqo s GLY 23 N -4.44 -0.52 -0.02 0.00 0.00 -1.13 -4.98 107.32 96.23 2fqo s GLY 23 Ca 0.01 0.58 -0.02 0.00 0.00 0.00 0.00 44.72 45.29 2fqo s GLY 23 CO 0.77 0.26 0.05 0.54 0.00 0.00 0.00 173.10 174.72 2fqo s VAL 24 N -3.01 -0.00 -0.01 1.40 0.11 -1.26 -0.38 120.40 117.24 2fqo s VAL 24 Ca -0.02 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.04 2fqo s VAL 24 Cb -0.00 -0.08 0.00 0.00 -1.53 0.00 0.00 36.38 34.76 2fqo s VAL 24 CO -0.06 0.00 -0.05 -1.00 -3.33 0.00 0.00 175.10 170.66 2fqo s HIS 25 N 0.04 0.46 0.15 1.54 3.76 0.42 -4.97 115.29 116.70 2fqo s HIS 25 Ca -0.00 -0.09 -0.30 0.00 -0.15 0.00 0.00 55.06 54.52 2fqo s HIS 25 Cb -0.01 -0.33 -0.07 0.00 1.11 0.00 0.00 32.58 33.29 2fqo s HIS 25 CO 0.00 -0.03 1.07 0.21 -0.85 0.00 0.00 174.74 175.14 2fqo s LYS 26 N 0.05 4.60 -0.05 1.40 2.47 -1.26 -0.86 119.74 126.09 2fqo s LYS 26 Ca -0.00 1.65 -0.01 0.00 -1.56 0.00 0.00 55.97 56.05 2fqo s LYS 26 Cb -0.04 -3.31 0.03 0.00 -1.46 0.00 0.00 37.83 33.05 2fqo s LYS 26 CO -0.00 0.08 0.00 0.08 0.16 0.00 0.00 175.35 175.67 2fqo s VAL 27 N -0.04 0.25 0.00 4.02 1.01 -0.76 -4.90 120.40 119.98 2fqo s VAL 27 Ca 0.50 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.60 2fqo s VAL 27 Cb -0.28 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 35.71 2fqo s VAL 27 CO 0.33 0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.24 2fqo n GLY 28 N 4.69 -0.09 0.10 4.51 0.00 -1.26 -1.37 105.19 111.77 2fqo n GLY 28 Ca -0.15 -1.03 0.03 0.00 0.00 0.00 0.00 46.02 44.87 2fqo n GLY 28 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2fqo n THR 29 N -0.04 0.99 -1.04 2.61 -2.24 -1.26 -4.52 114.28 108.79 2fqo n THR 29 Ca 0.00 -0.65 0.02 0.00 -2.27 0.00 0.00 64.05 61.15 2fqo n THR 29 Cb 0.00 -0.59 0.02 0.00 -2.10 0.00 0.00 70.33 67.66 2fqo n THR 29 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2fqo n ASP 30 N -2.80 0.80 -4.79 3.42 5.68 -1.26 -5.09 116.55 112.51 2fqo n ASP 30 Ca -0.07 -1.79 -0.23 0.00 -0.50 0.00 0.00 54.79 52.20 2fqo n ASP 30 Cb 0.75 -0.11 -0.05 0.00 -1.14 0.00 0.00 41.12 40.57 2fqo n ASP 30 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2fqo s GLY 31 N -0.91 2.11 -0.00 6.12 0.00 -0.47 -5.02 107.32 109.15 2fqo s GLY 31 Ca 0.05 -1.92 -0.15 0.00 0.00 0.00 0.00 44.72 42.70 2fqo s GLY 31 CO 0.00 -1.77 0.31 -1.34 0.00 0.00 0.00 173.10 170.30 2fqo s VAL 32 N -2.48 0.06 -0.09 1.40 -7.23 -1.26 -1.83 120.40 108.97 2fqo s VAL 32 Ca 0.42 -0.52 0.04 0.00 -1.81 0.00 0.00 61.98 60.11 2fqo s VAL 32 Cb -0.01 -0.69 -0.01 0.00 0.56 0.00 0.00 36.38 36.24 2fqo s VAL 32 CO 0.25 -0.29 -0.23 -0.69 -0.31 0.00 0.00 175.10 173.84 2fqo s VAL 33 N -1.60 2.22 0.03 1.32 1.01 -0.04 -1.16 120.40 122.17 2fqo s VAL 33 Ca -0.12 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 60.95 2fqo s VAL 33 Cb -0.04 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 2fqo s VAL 33 CO 0.03 0.56 -0.18 0.20 0.00 0.00 0.00 175.10 175.70 2fqo s ASN 34 N 0.16 3.77 0.03 3.32 0.01 0.14 -0.44 114.94 121.95 2fqo s ASN 34 Ca -0.13 -0.40 0.08 0.00 -0.71 0.00 0.00 52.86 51.71 2fqo s ASN 34 Cb -0.16 -0.62 -0.03 0.00 0.41 0.00 0.00 41.25 40.85 2fqo s ASN 34 CO 0.07 0.27 -0.24 -0.54 -1.51 0.00 0.00 177.10 175.15 2fqo s LYS 35 N -1.29 1.94 -0.01 -0.60 1.02 0.48 -1.16 119.74 120.11 2fqo s LYS 35 Ca 0.14 -1.04 0.05 0.00 0.02 0.00 0.00 55.97 55.14 2fqo s LYS 35 Cb -0.10 -2.06 -0.01 0.00 -0.52 0.00 0.00 37.83 35.14 2fqo s LYS 35 CO 0.04 0.53 -0.15 -0.06 -0.92 0.00 0.00 175.35 174.79 2fqo s PHE 36 N -0.81 1.36 -0.49 3.18 0.40 0.39 -2.08 117.98 119.93 2fqo s PHE 36 Ca 0.12 -0.27 -0.19 0.00 -0.60 0.00 0.00 56.93 56.00 2fqo s PHE 36 Cb -0.10 -0.88 0.05 0.00 0.51 0.00 0.00 43.02 42.60 2fqo s PHE 36 CO 0.02 -0.03 0.59 0.34 0.70 0.00 0.00 175.22 176.84 2fqo s ASP 37 N -0.31 6.22 -0.76 1.36 -1.08 0.14 -1.19 116.67 121.05 2fqo s ASP 37 Ca 0.05 -0.87 -0.16 0.00 -0.52 0.00 0.00 52.55 51.05 2fqo s ASP 37 Cb -0.06 -2.28 0.17 0.00 -1.46 0.00 0.00 42.92 39.29 2fqo s ASP 37 CO -0.00 -0.83 0.78 -0.63 0.52 0.00 0.00 175.17 175.01 2fqo s ILE 38 N 2.51 5.22 -0.36 4.11 -1.09 0.56 -1.26 121.20 130.90 2fqo s ILE 38 Ca 0.14 -1.85 -0.18 0.00 -2.23 0.00 0.00 60.65 56.53 2fqo s ILE 38 Cb -0.19 -4.51 -0.00 0.00 -1.58 0.00 0.00 42.46 36.18 2fqo s ILE 38 CO 0.12 -1.12 0.49 -0.60 -1.23 0.00 0.00 174.94 172.60 2fqo s ARG 39 N 1.37 3.54 -0.20 2.79 6.06 -0.46 -0.70 118.95 131.36 2fqo s ARG 39 Ca 0.17 -0.27 -0.21 0.00 -2.50 0.00 0.00 55.73 52.92 2fqo s ARG 39 Cb -0.15 -3.83 -0.18 0.00 0.06 0.00 0.00 34.95 30.85 2fqo s ARG 39 CO -0.04 -0.66 0.23 0.74 -2.50 0.00 0.00 175.30 173.07 2fqo h PHE 40 N 8.51 0.00 -2.84 5.12 -1.00 -1.10 -0.80 116.94 124.83 2fqo h PHE 40 Ca -0.28 0.00 -0.60 0.00 2.81 0.00 0.00 57.97 59.90 2fqo h PHE 40 Cb 1.12 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.64 2fqo h PHE 40 CO 0.71 1.31 -0.51 0.00 -1.61 0.00 0.00 178.31 178.20 2fqo s GLN 42 N -2.74 4.05 -0.13 0.00 2.00 -1.26 -4.80 119.66 116.77 2fqo s GLN 42 Ca 0.33 1.61 -0.40 0.00 -2.00 0.00 0.00 55.36 54.90 2fqo s GLN 42 Cb -0.12 -3.88 -0.17 0.00 0.80 0.00 0.00 33.01 29.64 2fqo s GLN 42 CO 0.27 -0.96 1.45 -2.30 -0.50 0.00 0.00 175.29 173.25 2fqo n PRO 43 N 7.09 0.76 -1.38 1.67 -0.02 -1.26 -1.00 135.00 140.86 2fqo n PRO 43 Ca 0.16 0.28 -0.13 0.00 -2.02 0.00 0.00 63.50 61.78 2fqo n PRO 43 Cb 0.45 -1.88 -0.06 0.00 -0.02 0.00 0.00 33.50 31.99 2fqo n PRO 43 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2fqo n ASN 44 N 3.42 -5.21 0.00 2.55 3.02 -1.26 -4.76 115.26 113.02 2fqo n ASN 44 Ca 0.23 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 55.10 2fqo n ASN 44 Cb 0.11 -3.86 0.00 0.00 -0.61 0.00 0.00 39.78 35.43 2fqo n ASN 44 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2fqo n LYS 45 N -1.76 0.00 -4.08 3.52 4.76 -0.17 -5.09 118.16 115.34 2fqo n LYS 45 Ca -0.13 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.23 2fqo n LYS 45 Cb 0.53 -0.62 -0.10 0.00 -1.84 0.00 0.00 35.03 33.00 2fqo n LYS 45 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2fqo s GLN 46 N -1.94 0.57 0.06 1.97 1.11 -0.89 -5.01 119.66 115.53 2fqo s GLN 46 Ca 0.00 -1.06 -0.15 0.00 0.01 0.00 0.00 55.36 54.15 2fqo s GLN 46 Cb 0.00 0.08 0.03 0.00 -1.01 0.00 0.00 33.01 32.11 2fqo s GLN 46 CO 0.00 -0.07 0.35 0.00 0.01 0.00 0.00 175.29 175.58 2fqo s ALA 47 N -3.11 -0.80 0.30 6.09 0.00 -1.26 -4.19 121.76 118.79 2fqo s ALA 47 Ca 0.01 0.03 -0.07 0.00 0.00 0.00 0.00 51.96 51.93 2fqo s ALA 47 Cb 0.02 0.42 -0.06 0.00 0.00 0.00 0.00 23.12 23.50 2fqo s ALA 47 CO -0.06 -0.48 0.60 -1.64 0.00 0.00 0.00 175.76 174.17 2fqo s MET 48 N -2.91 3.71 0.44 0.00 -1.94 -0.02 -5.04 119.30 113.55 2fqo s MET 48 Ca -0.02 0.17 -0.21 0.00 -1.71 0.00 0.00 55.69 53.92 2fqo s MET 48 Cb 0.00 -2.59 -0.11 0.00 2.01 0.00 0.00 34.83 34.14 2fqo s MET 48 CO -0.06 0.19 0.96 0.15 -0.01 0.00 0.00 175.02 176.25 2fqo s LYS 49 N -3.40 4.19 0.27 2.03 1.02 -1.26 -4.88 119.74 117.70 2fqo s LYS 49 Ca 0.46 1.12 -0.00 0.00 0.02 0.00 0.00 55.97 57.57 2fqo s LYS 49 Cb -0.11 -2.17 0.58 0.00 -0.52 0.00 0.00 37.83 35.61 2fqo s LYS 49 CO 0.28 -0.07 1.74 -1.35 -0.92 0.00 0.00 175.35 175.03 2fqo h PRO 50 N 1.81 0.52 -0.13 -1.68 0.11 -1.98 -0.79 132.00 129.86 2fqo h PRO 50 Ca -0.49 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.46 2fqo h PRO 50 Cb 1.18 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2fqo h PRO 50 CO 0.61 0.35 -0.49 0.38 -0.21 0.00 0.00 178.00 178.64 2fqo h ASP 51 N 0.54 0.35 -0.23 -2.05 2.03 -1.93 -0.57 116.42 114.56 2fqo h ASP 51 Ca 0.48 -0.17 -0.05 0.00 -0.73 0.00 0.00 57.03 56.57 2fqo h ASP 51 Cb 0.77 -0.10 -0.01 0.00 -0.83 0.00 0.00 39.33 39.16 2fqo h ASP 51 CO -0.42 0.78 -0.05 0.74 -1.03 0.00 0.00 179.24 179.27 2fqo h THR 52 N 0.26 1.28 -0.61 1.15 2.02 -1.60 -1.91 112.91 113.51 2fqo h THR 52 Ca 0.01 -1.04 0.04 0.00 0.77 0.00 0.00 66.41 66.19 2fqo h THR 52 Cb 0.95 1.50 -0.04 0.00 -1.74 0.00 0.00 68.15 68.82 2fqo h THR 52 CO 0.08 0.32 0.36 0.40 0.37 0.00 0.00 175.52 177.05 2fqo h ILE 53 N 0.17 1.03 -0.10 3.11 2.04 -0.98 -0.12 117.51 122.66 2fqo h ILE 53 Ca 0.06 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 2fqo h ILE 53 Cb 0.50 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2fqo h ILE 53 CO 0.02 0.13 0.03 -0.74 0.00 0.00 0.00 178.15 177.59 2fqo h HIS 54 N 0.69 0.16 -0.40 1.37 2.76 -1.04 -1.02 115.15 117.68 2fqo h HIS 54 Ca 0.25 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.36 2fqo h HIS 54 Cb 0.08 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 2fqo h HIS 54 CO -0.07 0.31 0.08 1.15 -1.30 0.00 0.00 177.93 178.10 2fqo h THR 55 N -0.04 1.24 -0.29 6.26 2.02 -1.17 -2.04 112.91 118.89 2fqo h THR 55 Ca 0.03 -0.84 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 2fqo h THR 55 Cb 0.23 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 2fqo h THR 55 CO -0.00 0.29 0.08 0.25 0.37 0.00 0.00 175.52 176.51 2fqo h LEU 56 N 0.52 0.37 0.01 2.58 5.85 -0.98 -0.11 115.31 123.55 2fqo h LEU 56 Ca 0.12 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 2fqo h LEU 56 Cb 0.35 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.29 2fqo h LEU 56 CO 0.01 0.37 -0.01 -0.08 -0.34 0.00 0.00 178.44 178.39 2fqo h GLU 57 N 0.40 -0.01 -0.17 1.25 4.81 -0.80 0.09 114.58 120.15 2fqo h GLU 57 Ca 0.10 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2fqo h GLU 57 Cb 0.15 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2fqo h GLU 57 CO -0.01 0.11 0.08 0.45 -0.73 0.00 0.00 179.01 178.91 2fqo h HIS 58 N -0.13 0.14 -0.58 0.92 3.86 -0.65 -1.65 115.15 117.07 2fqo h HIS 58 Ca -0.00 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.24 2fqo h HIS 58 Cb 0.13 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 28.52 2fqo h HIS 58 CO -0.04 0.08 0.36 -0.07 0.86 0.00 0.00 177.93 179.12 2fqo h LEU 59 N 0.17 0.59 -0.10 2.43 3.38 -0.91 -0.75 115.31 120.12 2fqo h LEU 59 Ca 0.07 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2fqo h LEU 59 Cb 0.02 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2fqo h LEU 59 CO -0.05 0.42 0.00 -0.07 0.09 0.00 0.00 178.44 178.83 2fqo h LEU 60 N 0.71 0.17 -0.93 1.67 3.38 -0.84 -1.27 115.31 118.20 2fqo h LEU 60 Ca 0.23 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2fqo h LEU 60 Cb -0.00 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2fqo h LEU 60 CO -0.09 0.43 0.40 0.00 0.09 0.00 0.00 178.44 179.27 2fqo h ALA 61 N 0.75 1.16 -0.35 1.53 0.00 -1.18 -0.27 119.26 120.91 2fqo h ALA 61 Ca 0.03 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 2fqo h ALA 61 Cb 0.34 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2fqo h ALA 61 CO 0.00 0.64 -0.28 0.35 0.00 0.00 0.00 179.25 179.97 2fqo h PHE 62 N 1.17 0.95 0.00 0.00 3.57 -1.09 -3.37 116.94 118.17 2fqo h PHE 62 Ca 0.28 -0.27 -0.25 0.00 3.53 0.00 0.00 57.97 61.26 2fqo h PHE 62 Cb 0.10 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.59 2fqo h PHE 62 CO 0.01 1.04 -1.77 0.25 -2.23 0.00 0.00 178.31 175.61 2fqo n THR 63 N -4.21 1.33 0.24 4.41 -2.24 -0.49 -4.39 114.28 108.94 2fqo n THR 63 Ca -0.03 -0.76 0.07 0.00 -2.27 0.00 0.00 64.05 61.07 2fqo n THR 63 Cb 0.47 -0.75 0.59 0.00 -2.10 0.00 0.00 70.33 68.55 2fqo n THR 63 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 2fqo h ILE 64 N 0.00 1.04 0.01 2.28 2.10 -1.20 -3.26 117.51 118.47 2fqo h ILE 64 Ca -0.29 -0.17 0.02 0.00 1.08 0.00 0.00 64.86 65.50 2fqo h ILE 64 Cb 1.86 1.07 -0.05 0.00 -1.09 0.00 0.00 36.82 38.61 2fqo h ILE 64 CO 0.05 0.05 -0.53 0.03 -1.08 0.00 0.00 178.15 176.67 2fqo h ARG 65 N 0.02 -0.65 -1.00 2.19 3.08 -1.77 -1.83 114.38 114.42 2fqo h ARG 65 Ca 0.01 0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.12 2fqo h ARG 65 Cb 0.08 0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.23 2fqo h ARG 65 CO 0.01 -0.44 0.66 0.66 -1.07 0.00 0.00 179.97 179.79 2fqo h SER 66 N -0.68 1.13 0.84 7.04 4.64 -1.85 -2.45 113.55 122.22 2fqo h SER 66 Ca 0.01 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 2fqo h SER 66 Cb 0.72 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 2fqo h SER 66 CO -0.35 0.79 -0.24 0.45 -0.87 0.00 0.00 176.83 176.62 2fqo h HIS 67 N 1.32 0.00 0.00 4.77 3.86 -1.63 -2.66 115.15 120.81 2fqo h HIS 67 Ca 0.38 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 2fqo h HIS 67 Cb -0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.39 2fqo h HIS 67 CO -0.00 0.24 0.00 0.00 0.86 0.00 0.00 177.93 179.03 2fqo h ALA 68 N 1.76 1.00 -0.57 2.45 0.00 -0.84 -3.29 119.26 119.76 2fqo h ALA 68 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2fqo h ALA 68 Cb 0.72 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2fqo h ALA 68 CO 0.03 0.00 0.38 0.93 0.00 0.00 0.00 179.25 180.59 2fqo h GLU 69 N 0.00 0.60 0.00 0.00 5.08 -1.35 -1.67 114.58 117.24 2fqo h GLU 69 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2fqo h GLU 69 Cb 0.84 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2fqo h GLU 69 CO 0.00 0.40 0.00 1.57 -1.00 0.00 0.00 179.01 179.98 2fqo h LYS 70 N 0.62 0.00 -5.27 2.33 2.10 -1.75 -3.40 116.57 111.20 2fqo h LYS 70 Ca 0.24 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 58.28 2fqo h LYS 70 Cb 0.17 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 31.37 2fqo h LYS 70 CO -0.07 0.00 -0.37 0.71 -2.00 0.00 0.00 179.45 177.73 2fqo s TYR 71 N -3.93 3.36 -0.95 0.07 1.51 -0.63 -4.97 117.35 111.81 2fqo s TYR 71 Ca -0.03 0.42 0.22 0.00 -1.01 0.00 0.00 57.07 56.68 2fqo s TYR 71 Cb 0.11 -2.37 -0.09 0.00 -0.11 0.00 0.00 41.96 39.51 2fqo s TYR 71 CO 0.45 0.07 0.99 -0.25 -1.11 0.00 0.00 175.55 175.69 2fqo n ASP 72 N 4.23 0.85 -0.74 2.29 9.92 -1.26 -4.37 116.55 127.48 2fqo n ASP 72 Ca -0.12 -0.79 0.12 0.00 -0.53 0.00 0.00 54.79 53.47 2fqo n ASP 72 Cb 0.52 0.89 0.32 0.00 -0.64 0.00 0.00 41.12 42.21 2fqo n ASP 72 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2fqo n HIS 73 N -1.55 0.10 -3.54 1.24 1.44 -1.26 -4.95 115.22 106.69 2fqo n HIS 73 Ca 0.04 -0.05 -0.12 0.00 -2.01 0.00 0.00 57.72 55.58 2fqo n HIS 73 Cb 0.34 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.41 2fqo n HIS 73 CO 0.00 0.00 0.00 -0.59 -2.81 0.00 0.00 176.34 172.94 2fqo s PHE 74 N -1.90 -0.39 0.02 -1.40 -0.12 -1.26 -3.47 117.98 109.46 2fqo s PHE 74 Ca 0.34 0.24 0.01 0.00 -0.05 0.00 0.00 56.93 57.47 2fqo s PHE 74 Cb 0.20 0.39 -0.02 0.00 -0.63 0.00 0.00 43.02 42.96 2fqo s PHE 74 CO 0.31 -0.73 -0.05 -0.51 -0.05 0.00 0.00 175.22 174.19 2fqo s ASP 75 N -2.49 0.55 -0.01 1.98 1.01 -0.54 -4.89 116.67 112.28 2fqo s ASP 75 Ca -0.01 -0.39 -0.30 0.00 0.71 0.00 0.00 52.55 52.56 2fqo s ASP 75 Cb 0.00 0.03 -0.03 0.00 1.01 0.00 0.00 42.92 43.93 2fqo s ASP 75 CO -0.09 -0.16 1.07 -0.63 0.21 0.00 0.00 175.17 175.57 2fqo s ILE 76 N -1.02 4.57 -0.17 0.77 -1.09 -1.26 -0.42 121.20 122.58 2fqo s ILE 76 Ca -0.08 1.85 0.02 0.00 -2.23 0.00 0.00 60.65 60.21 2fqo s ILE 76 Cb -0.07 -4.18 -0.12 0.00 -1.58 0.00 0.00 42.46 36.50 2fqo s ILE 76 CO -0.00 0.10 -0.14 -0.38 -1.23 0.00 0.00 174.94 173.29 2fqo n ILE 77 N 4.12 1.00 -3.55 2.92 5.41 0.34 -4.91 119.36 124.69 2fqo n ILE 77 Ca 0.08 -0.40 -0.13 0.00 1.00 0.00 0.00 62.75 63.30 2fqo n ILE 77 Cb 0.49 -1.08 -0.05 0.00 -0.71 0.00 0.00 39.64 38.28 2fqo n ILE 77 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2fqo s ASP 78 N -5.62 -0.48 -0.13 4.38 2.15 -0.92 -4.99 116.67 111.07 2fqo s ASP 78 Ca -0.22 0.52 -0.04 0.00 0.43 0.00 0.00 52.55 53.24 2fqo s ASP 78 Cb 0.06 0.39 0.05 0.00 -0.30 0.00 0.00 42.92 43.12 2fqo s ASP 78 CO 0.42 -0.45 0.08 -0.51 -0.17 0.00 0.00 175.17 174.54 2fqo s ILE 79 N -1.16 -0.06 0.09 4.11 1.10 -1.26 -0.76 121.20 123.26 2fqo s ILE 79 Ca -0.05 0.01 0.04 0.00 -0.51 0.00 0.00 60.65 60.15 2fqo s ILE 79 Cb -0.00 -0.46 -0.03 0.00 0.15 0.00 0.00 42.46 42.12 2fqo s ILE 79 CO 0.05 -0.12 -0.12 -0.44 -2.11 0.00 0.00 174.94 172.20 2fqo s SER 80 N 2.13 1.59 0.54 4.50 0.01 -0.78 -4.92 113.70 116.77 2fqo s SER 80 Ca 0.03 -0.76 -0.17 0.00 1.31 0.00 0.00 55.95 56.36 2fqo s SER 80 Cb -0.15 -0.02 -0.06 0.00 0.21 0.00 0.00 66.02 66.00 2fqo s SER 80 CO -0.07 -0.20 1.02 -2.84 0.41 0.00 0.00 173.24 171.56 2fqo s PRO 81 N -2.49 3.68 0.20 12.44 0.02 -1.26 -0.44 135.00 147.15 2fqo s PRO 81 Ca 0.04 1.12 -0.13 0.00 0.02 0.00 0.00 61.00 62.04 2fqo s PRO 81 Cb -0.05 -2.09 -0.07 0.00 0.02 0.00 0.00 34.50 32.31 2fqo s PRO 81 CO 0.01 -0.50 0.58 -1.64 -0.33 0.00 0.00 177.00 175.12 2fqo s MET 82 N -3.92 3.95 0.60 5.54 -1.94 -0.13 -4.79 119.30 118.60 2fqo s MET 82 Ca 0.62 0.47 0.38 0.00 -1.71 0.00 0.00 55.69 55.46 2fqo s MET 82 Cb -0.13 -2.78 1.86 0.00 2.01 0.00 0.00 34.83 35.78 2fqo s MET 82 CO 0.31 0.39 2.17 0.78 -0.01 0.00 0.00 175.02 178.65 2fqo h GLY 83 N 3.08 0.00 1.35 -0.03 0.00 -1.96 -2.39 103.07 103.12 2fqo h GLY 83 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2fqo h GLY 83 CO 0.67 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.21 2fqo n GLN 85 N -1.18 -0.91 0.00 0.00 6.02 -0.90 -4.86 117.38 115.55 2fqo n GLN 85 Ca 0.17 0.95 0.06 0.00 -0.01 0.00 0.00 57.00 58.17 2fqo n GLN 85 Cb 0.18 -5.01 -0.01 0.00 1.02 0.00 0.00 30.24 26.43 2fqo n GLN 85 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2fqo n THR 86 N -2.67 0.00 -3.20 5.09 -2.24 -1.26 -0.84 114.28 109.16 2fqo n THR 86 Ca -0.13 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 2fqo n THR 86 Cb 0.44 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 2fqo n THR 86 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fqo n GLY 87 N 1.00 -0.62 3.19 3.38 0.00 -1.26 -0.53 105.19 110.35 2fqo n GLY 87 Ca 0.04 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 2fqo n GLY 87 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fqo s TYR 88 N -3.00 1.05 -0.14 1.61 1.51 0.13 -0.96 117.35 117.55 2fqo s TYR 88 Ca 0.00 -0.78 -0.04 0.00 -1.01 0.00 0.00 57.07 55.24 2fqo s TYR 88 Cb 0.00 -0.57 -0.03 0.00 -0.11 0.00 0.00 41.96 41.25 2fqo s TYR 88 CO 0.00 -0.03 0.00 0.71 -1.11 0.00 0.00 175.55 175.12 2fqo s TYR 89 N -3.11 3.13 -0.18 2.71 1.51 0.41 -0.32 117.35 121.50 2fqo s TYR 89 Ca 0.11 -0.04 -0.01 0.00 -1.01 0.00 0.00 57.07 56.12 2fqo s TYR 89 Cb 0.02 -1.94 0.00 0.00 -0.11 0.00 0.00 41.96 39.93 2fqo s TYR 89 CO -0.02 0.18 -0.14 -1.17 -1.11 0.00 0.00 175.55 173.29 2fqo s LEU 90 N -0.03 2.51 -0.16 -1.29 2.96 -0.33 -1.86 118.68 120.47 2fqo s LEU 90 Ca 0.03 -0.49 -0.02 0.00 -0.22 0.00 0.00 54.13 53.43 2fqo s LEU 90 Cb -0.13 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 2fqo s LEU 90 CO 0.02 0.04 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.32 2fqo s VAL 91 N 1.08 3.43 0.09 1.68 1.01 0.06 -0.46 120.40 127.28 2fqo s VAL 91 Ca -0.00 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.49 2fqo s VAL 91 Cb -0.14 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 2fqo s VAL 91 CO -0.04 0.49 -0.08 0.68 0.00 0.00 0.00 175.10 176.16 2fqo s VAL 92 N 0.62 0.72 0.06 2.92 -7.23 -0.31 -0.50 120.40 116.68 2fqo s VAL 92 Ca -0.05 -1.72 -0.05 0.00 -1.81 0.00 0.00 61.98 58.35 2fqo s VAL 92 Cb -0.15 -1.42 -0.05 0.00 0.56 0.00 0.00 36.38 35.32 2fqo s VAL 92 CO 0.03 -0.72 0.31 -0.94 -0.31 0.00 0.00 175.10 173.47 2fqo s SER 93 N -2.66 6.49 0.00 4.85 1.04 0.44 -0.68 113.70 123.18 2fqo s SER 93 Ca 0.07 0.55 0.00 0.00 0.48 0.00 0.00 55.95 57.05 2fqo s SER 93 Cb 0.01 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 64.05 2fqo s SER 93 CO -0.03 0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.97 2fqo n GLY 94 N 0.66 -2.83 2.71 7.32 0.00 -0.31 -1.46 105.19 111.28 2fqo n GLY 94 Ca -0.07 -1.83 -0.29 0.00 0.00 0.00 0.00 46.02 43.83 2fqo n GLY 94 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2fqo s GLU 95 N -0.61 1.40 0.61 1.61 2.12 -1.23 -4.13 118.70 118.48 2fqo s GLU 95 Ca 0.00 -2.18 -0.07 0.00 0.36 0.00 0.00 54.97 53.09 2fqo s GLU 95 Cb 0.00 -2.41 0.01 0.00 0.26 0.00 0.00 34.13 32.00 2fqo s GLU 95 CO 0.00 -1.19 0.93 -1.25 -0.54 0.00 0.00 175.26 173.21 2fqo s PRO 96 N 0.12 2.84 0.35 4.30 0.04 -1.26 -4.99 135.00 136.40 2fqo s PRO 96 Ca 0.20 0.02 0.01 0.00 0.04 0.00 0.00 61.00 61.27 2fqo s PRO 96 Cb -0.20 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.08 2fqo s PRO 96 CO -0.03 -0.79 0.55 0.95 0.04 0.00 0.00 177.00 177.72 2fqo s THR 97 N -3.06 4.88 0.41 1.26 -4.23 -1.26 -4.98 115.64 108.67 2fqo s THR 97 Ca 0.55 -0.55 0.08 0.00 -1.18 0.00 0.00 61.69 60.59 2fqo s THR 97 Cb -0.11 -3.77 0.25 0.00 1.34 0.00 0.00 72.50 70.21 2fqo s THR 97 CO 0.46 -0.48 2.04 0.28 -0.54 0.00 0.00 174.62 176.38 2fqo h SER 98 N 0.74 0.42 -0.88 3.99 0.02 -1.98 -1.45 113.55 114.41 2fqo h SER 98 Ca -0.49 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.42 2fqo h SER 98 Cb 1.23 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.62 2fqo h SER 98 CO 0.60 0.34 0.49 0.00 -1.14 0.00 0.00 176.83 177.12 2fqo h ALA 99 N 1.73 1.13 -0.40 3.77 0.00 -1.96 0.42 119.26 123.95 2fqo h ALA 99 Ca 0.13 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2fqo h ALA 99 Cb 0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2fqo h ALA 99 CO -0.02 0.63 -0.23 0.93 0.00 0.00 0.00 179.25 180.55 2fqo h GLU 100 N 1.23 0.81 -0.55 0.00 5.08 -1.68 -1.87 114.58 117.60 2fqo h GLU 100 Ca 0.31 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 2fqo h GLU 100 Cb 0.02 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2fqo h GLU 100 CO -0.05 0.96 0.08 0.82 -1.00 0.00 0.00 179.01 179.82 2fqo h ILE 101 N 0.70 1.24 -0.50 3.13 1.08 -0.71 -0.14 117.51 122.32 2fqo h ILE 101 Ca 0.09 -0.94 -0.04 0.00 -0.39 0.00 0.00 64.86 63.59 2fqo h ILE 101 Cb 0.76 0.74 -0.02 0.00 -3.07 0.00 0.00 36.82 35.23 2fqo h ILE 101 CO 0.06 0.34 0.17 0.58 -0.69 0.00 0.00 178.15 178.62 2fqo h VAL 102 N 0.83 1.22 -0.24 1.67 2.07 -0.58 -0.19 116.25 121.04 2fqo h VAL 102 Ca 0.17 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 2fqo h VAL 102 Cb 0.39 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2fqo h VAL 102 CO 0.01 0.27 0.08 0.44 0.02 0.00 0.00 177.57 178.39 2fqo h ASP 103 N 0.67 0.34 -0.31 0.57 3.32 -0.94 -1.50 116.42 118.57 2fqo h ASP 103 Ca 0.16 -0.19 0.05 0.00 0.02 0.00 0.00 57.03 57.07 2fqo h ASP 103 Cb 0.24 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 2fqo h ASP 103 CO -0.01 0.44 -0.00 0.25 -1.72 0.00 0.00 179.24 178.20 2fqo h LEU 104 N 0.22 -0.13 -1.32 1.55 5.85 -0.83 -1.27 115.31 119.38 2fqo h LEU 104 Ca 0.08 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 2fqo h LEU 104 Cb 0.22 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2fqo h LEU 104 CO -0.00 -0.03 0.04 -0.07 -0.34 0.00 0.00 178.44 178.04 2fqo h LEU 105 N 0.09 0.45 -0.07 2.25 3.38 -0.90 -0.42 115.31 120.09 2fqo h LEU 105 Ca 0.15 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2fqo h LEU 105 Cb 0.20 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2fqo h LEU 105 CO -0.25 0.50 -0.01 -0.08 0.09 0.00 0.00 178.44 178.69 2fqo h GLU 106 N 0.48 0.13 -0.38 1.13 4.81 -0.51 0.18 114.58 120.42 2fqo h GLU 106 Ca 0.11 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 2fqo h GLU 106 Cb 0.26 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 2fqo h GLU 106 CO 0.00 0.42 -0.04 -0.44 -0.73 0.00 0.00 179.01 178.22 2fqo h ASP 107 N -0.18 0.60 0.06 1.04 3.32 -1.08 -0.42 116.42 119.76 2fqo h ASP 107 Ca 0.02 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 2fqo h ASP 107 Cb 0.37 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2fqo h ASP 107 CO 0.00 0.70 -0.03 0.74 -1.72 0.00 0.00 179.24 178.94 2fqo h THR 108 N 0.59 1.12 0.00 0.35 2.02 -0.93 -3.04 112.91 113.03 2fqo h THR 108 Ca 0.12 -0.61 -0.07 0.00 0.77 0.00 0.00 66.41 66.61 2fqo h THR 108 Cb 0.44 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 2fqo h THR 108 CO 0.02 0.15 -0.36 0.24 0.37 0.00 0.00 175.52 175.95 2fqo h MET 109 N -0.35 0.00 -0.21 6.66 2.86 -0.85 -1.16 114.93 121.88 2fqo h MET 109 Ca -0.01 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 2fqo h MET 109 Cb 0.31 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 2fqo h MET 109 CO 0.01 0.36 -0.06 0.87 1.06 0.00 0.00 176.91 179.14 2fqo h LYS 110 N 0.00 0.32 0.10 1.72 1.57 -1.03 -0.79 116.57 118.46 2fqo h LYS 110 Ca -0.00 -0.07 -0.20 0.00 -1.87 0.00 0.00 60.65 58.51 2fqo h LYS 110 Cb 0.90 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.16 2fqo h LYS 110 CO 0.05 0.41 -0.97 1.49 -0.57 0.00 0.00 179.45 179.86 2fqo h GLU 111 N 0.31 0.22 -0.71 3.15 4.81 -1.38 -3.37 114.58 117.61 2fqo h GLU 111 Ca 0.07 -0.37 0.02 0.00 -0.13 0.00 0.00 59.36 58.94 2fqo h GLU 111 Cb 0.32 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 2fqo h GLU 111 CO 0.01 1.18 0.47 0.00 -0.73 0.00 0.00 179.01 179.94 2fqo h ALA 112 N -0.02 1.54 0.00 2.92 0.00 -1.05 -1.01 119.26 121.64 2fqo h ALA 112 Ca -0.20 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2fqo h ALA 112 Cb 1.58 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2fqo h ALA 112 CO 0.07 0.41 0.00 1.55 0.00 0.00 0.00 179.25 181.28 2fqo n VAL 113 N -4.44 1.14 0.35 0.00 3.14 -0.32 -1.83 118.33 116.36 2fqo n VAL 113 Ca 0.08 0.29 0.11 0.00 -2.96 0.00 0.00 64.34 61.86 2fqo n VAL 113 Cb 0.08 -1.09 -0.05 0.00 -1.06 0.00 0.00 33.84 31.72 2fqo n VAL 113 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2fqo n GLU 114 N -1.54 0.43 -1.72 1.45 -0.58 -0.39 -4.96 120.64 113.33 2fqo n GLU 114 Ca 0.03 -0.03 -0.43 0.00 -0.42 0.00 0.00 57.16 56.31 2fqo n GLU 114 Cb 0.15 -1.61 -0.02 0.00 -0.57 0.00 0.00 31.44 29.39 2fqo n GLU 114 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2fqo n ILE 115 N -2.15 1.08 0.00 -3.67 5.41 -0.76 -4.93 119.36 114.34 2fqo n ILE 115 Ca 0.00 -0.27 0.08 0.00 1.00 0.00 0.00 62.75 63.56 2fqo n ILE 115 Cb 0.49 -1.81 -0.13 0.00 -0.71 0.00 0.00 39.64 37.47 2fqo n ILE 115 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2fqo n THR 116 N 1.95 0.36 -4.41 1.39 -2.24 -1.26 -4.93 114.28 105.13 2fqo n THR 116 Ca 0.09 -0.57 -0.20 0.00 -2.27 0.00 0.00 64.05 61.10 2fqo n THR 116 Cb 0.35 -0.16 -0.15 0.00 -2.10 0.00 0.00 70.33 68.27 2fqo n THR 116 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2fqo s GLU 117 N -3.33 0.94 -0.07 -0.78 2.12 -1.26 -5.12 118.70 111.21 2fqo s GLU 117 Ca -0.07 -0.32 -0.30 0.00 0.36 0.00 0.00 54.97 54.64 2fqo s GLU 117 Cb 0.12 -0.88 -0.04 0.00 0.26 0.00 0.00 34.13 33.58 2fqo s GLU 117 CO 0.87 0.14 1.43 0.42 -0.54 0.00 0.00 175.26 177.59 2fqo s ILE 118 N 0.08 3.85 0.24 -3.70 1.01 -1.26 -4.97 121.20 116.47 2fqo s ILE 118 Ca -0.01 1.12 -0.31 0.00 0.00 0.00 0.00 60.65 61.45 2fqo s ILE 118 Cb -0.07 -3.72 -0.11 0.00 0.01 0.00 0.00 42.46 38.56 2fqo s ILE 118 CO 0.00 -0.06 1.58 -2.84 0.00 0.00 0.00 174.94 173.63 2fqo s PRO 119 N 3.23 4.17 -1.95 2.79 0.02 -1.26 -3.00 135.00 138.99 2fqo s PRO 119 Ca 0.64 2.49 0.00 0.00 0.02 0.00 0.00 61.00 64.15 2fqo s PRO 119 Cb -0.29 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.16 2fqo s PRO 119 CO 0.24 -0.61 0.00 0.00 -0.33 0.00 0.00 177.00 176.30 2fqo n ALA 120 N 2.88 -0.49 -1.57 -1.55 0.00 -1.26 -4.89 120.51 113.63 2fqo n ALA 120 Ca 0.10 0.24 -0.40 0.00 0.00 0.00 0.00 53.44 53.39 2fqo n ALA 120 Cb 0.38 -2.12 -0.02 0.00 0.00 0.00 0.00 19.45 17.69 2fqo n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fqo n ALA 121 N -0.55 7.12 -2.50 0.00 0.00 -1.16 -3.99 120.51 119.43 2fqo n ALA 121 Ca -0.23 -3.74 -0.09 0.00 0.00 0.00 0.00 53.44 49.38 2fqo n ALA 121 Cb 0.68 -3.22 -0.08 0.00 0.00 0.00 0.00 19.45 16.84 2fqo n ALA 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2fqo s ASN 122 N 1.73 0.16 0.40 0.00 2.20 -1.26 -4.93 114.94 113.23 2fqo s ASN 122 Ca 0.63 -0.80 0.08 0.00 -0.94 0.00 0.00 52.86 51.83 2fqo s ASN 122 Cb 0.17 0.34 0.85 0.00 -2.00 0.00 0.00 41.25 40.62 2fqo s ASN 122 CO -0.07 -0.76 2.00 -0.33 -2.94 0.00 0.00 177.10 175.00 2fqo h GLU 123 N 2.75 0.59 -0.10 3.55 5.08 -1.88 -0.89 114.58 123.68 2fqo h GLU 123 Ca -0.33 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 57.86 2fqo h GLU 123 Cb 1.20 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2fqo h GLU 123 CO 0.56 0.39 -0.52 -0.22 -1.00 0.00 0.00 179.01 178.22 2fqo h LYS 124 N 0.61 0.27 -0.28 2.33 3.64 -1.97 -3.30 116.57 117.86 2fqo h LYS 124 Ca 0.25 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2fqo h LYS 124 Cb 0.22 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2fqo h LYS 124 CO -0.07 0.72 0.00 1.04 -2.27 0.00 0.00 179.45 178.87 2fqo n GLN 125 N -3.94 2.24 -3.94 1.90 6.02 -1.00 -5.01 117.38 113.64 2fqo n GLN 125 Ca -0.02 -1.87 -0.10 0.00 -0.01 0.00 0.00 57.00 55.00 2fqo n GLN 125 Cb 0.56 -1.29 -0.12 0.00 1.02 0.00 0.00 30.24 30.41 2fqo n GLN 125 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2fqo h GLY 127 N 5.14 0.00 -5.00 0.00 0.00 -1.87 -3.38 103.07 97.96 2fqo h GLY 127 Ca -0.29 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.87 2fqo h GLY 127 CO 0.44 0.00 -0.46 -0.18 0.00 0.00 0.00 176.54 176.35 2fqo n GLN 128 N -3.14 0.59 -0.05 4.80 7.27 -1.26 -5.04 117.38 120.56 2fqo n GLN 128 Ca 0.01 -1.82 0.24 0.00 0.07 0.00 0.00 57.00 55.49 2fqo n GLN 128 Cb 0.34 -1.35 0.72 0.00 2.41 0.00 0.00 30.24 32.36 2fqo n GLN 128 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2fqo h ALA 129 N 4.55 2.53 0.00 1.69 0.00 -1.81 -1.52 119.26 124.70 2fqo h ALA 129 Ca -0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2fqo h ALA 129 Cb 1.09 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2fqo h ALA 129 CO 0.11 -0.86 -0.23 0.87 0.00 0.00 0.00 179.25 179.15 2fqo h LYS 130 N 0.00 0.00 -3.72 0.00 1.57 -1.96 -3.39 116.57 109.07 2fqo h LYS 130 Ca 0.31 0.00 -0.74 0.00 -1.87 0.00 0.00 60.65 58.35 2fqo h LYS 130 Cb 1.35 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.56 2fqo h LYS 130 CO -0.00 0.23 2.55 -0.11 -0.57 0.00 0.00 179.45 181.55 2fqo n LEU 131 N -3.21 6.77 -4.02 2.94 7.94 -0.57 -4.91 117.00 121.95 2fqo n LEU 131 Ca 0.02 -4.41 -0.08 0.00 -1.11 0.00 0.00 56.01 50.42 2fqo n LEU 131 Cb 0.56 -1.56 -0.11 0.00 0.53 0.00 0.00 43.42 42.84 2fqo n LEU 131 CO 0.35 1.26 -0.36 -1.00 -1.11 0.00 0.00 177.39 176.54 2fqo s HIS 132 N 1.68 0.35 -0.37 1.96 3.76 -1.26 -4.52 115.29 116.88 2fqo s HIS 132 Ca 0.43 -0.71 0.06 0.00 -0.15 0.00 0.00 55.06 54.69 2fqo s HIS 132 Cb 0.12 -0.26 0.18 0.00 1.11 0.00 0.00 32.58 33.73 2fqo s HIS 132 CO -0.04 -0.26 0.56 0.34 -0.85 0.00 0.00 174.74 174.50 2fqo s ASP 133 N -1.96 -0.95 0.21 1.40 3.68 -1.20 -4.90 116.67 112.95 2fqo s ASP 133 Ca -0.08 -0.72 -0.08 0.00 2.13 0.00 0.00 52.55 53.80 2fqo s ASP 133 Cb -0.04 1.68 0.16 0.00 -1.45 0.00 0.00 42.92 43.27 2fqo s ASP 133 CO -0.04 -0.22 1.78 0.25 0.13 0.00 0.00 175.17 177.06 2fqo h LEU 134 N 7.27 1.11 -0.82 -1.34 5.85 -1.96 -1.92 115.31 123.50 2fqo h LEU 134 Ca 0.03 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 2fqo h LEU 134 Cb 1.16 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 2fqo h LEU 134 CO 0.14 0.98 0.50 -0.33 -0.34 0.00 0.00 178.44 179.39 2fqo h GLU 135 N 1.17 1.10 -0.51 1.25 4.39 -1.99 -0.21 114.58 119.79 2fqo h GLU 135 Ca 0.27 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.81 2fqo h GLU 135 Cb 0.23 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 2fqo h GLU 135 CO -0.02 0.77 0.08 0.78 -1.16 0.00 0.00 179.01 179.46 2fqo h GLY 136 N 1.12 0.90 1.00 -3.84 0.00 -1.90 -0.57 103.07 99.78 2fqo h GLY 136 Ca 0.29 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 2fqo h GLY 136 CO -0.06 0.56 0.39 0.00 0.00 0.00 0.00 176.54 177.43 2fqo h ALA 137 N 0.97 0.87 -0.29 3.60 0.00 -0.91 -2.04 119.26 121.46 2fqo h ALA 137 Ca 0.15 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2fqo h ALA 137 Cb 0.40 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2fqo h ALA 137 CO 0.01 0.36 -0.25 0.87 0.00 0.00 0.00 179.25 180.25 2fqo h LYS 138 N 0.93 0.55 -0.50 0.00 1.57 -0.81 -1.53 116.57 116.77 2fqo h LYS 138 Ca 0.24 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2fqo h LYS 138 Cb 0.00 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2fqo h LYS 138 CO -0.04 0.76 0.25 -0.09 -0.57 0.00 0.00 179.45 179.76 2fqo h ARG 139 N 0.49 0.72 -0.03 3.15 2.43 -0.63 -0.54 114.38 119.96 2fqo h ARG 139 Ca 0.07 -0.10 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 2fqo h ARG 139 Cb 0.69 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 2fqo h ARG 139 CO 0.05 0.59 -0.53 -0.07 -1.51 0.00 0.00 179.97 178.50 2fqo h LEU 140 N 0.67 0.11 -0.32 3.80 -0.00 -1.20 -1.87 115.31 116.50 2fqo h LEU 140 Ca 0.17 -0.05 -0.20 0.00 -0.00 0.00 0.00 57.88 57.80 2fqo h LEU 140 Cb 0.10 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 40.73 2fqo h LEU 140 CO -0.02 0.62 -0.71 0.24 -0.00 0.00 0.00 178.44 178.57 2fqo h MET 141 N 0.08 0.62 -0.22 1.13 2.86 -0.93 -1.23 114.93 117.24 2fqo h MET 141 Ca -0.00 -0.48 -0.09 0.00 -2.06 0.00 0.00 59.70 57.07 2fqo h MET 141 Cb 0.97 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.70 2fqo h MET 141 CO 0.07 1.10 -0.27 0.00 1.06 0.00 0.00 176.91 178.88 2fqo h ARG 142 N 0.43 0.42 -0.08 1.72 3.08 -0.99 0.98 114.38 119.94 2fqo h ARG 142 Ca -0.03 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 2fqo h ARG 142 Cb 1.31 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.33 2fqo h ARG 142 CO 0.14 0.65 0.04 0.35 -1.07 0.00 0.00 179.97 180.08 2fqo h PHE 143 N 0.37 0.11 -0.29 3.04 3.57 -1.14 -1.59 116.94 121.00 2fqo h PHE 143 Ca 0.05 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 2fqo h PHE 143 Cb 0.67 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 2fqo h PHE 143 CO 0.02 0.15 0.14 2.35 -2.23 0.00 0.00 178.31 178.75 2fqo h TRP 144 N 0.03 0.41 0.00 0.41 2.91 -0.84 -2.65 115.95 116.23 2fqo h TRP 144 Ca 0.03 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.03 2fqo h TRP 144 Cb 0.08 -0.13 0.00 0.00 -0.51 0.00 0.00 29.16 28.60 2fqo h TRP 144 CO -0.04 0.36 0.00 1.28 -1.03 0.00 0.00 178.44 179.01 2fqo n LEU 145 N -4.80 0.00 0.02 0.65 4.77 0.30 -2.27 117.00 115.67 2fqo n LEU 145 Ca -0.02 0.35 0.12 0.00 -0.03 0.00 0.00 56.01 56.44 2fqo n LEU 145 Cb 0.10 -0.35 0.28 0.00 -2.33 0.00 0.00 43.42 41.11 2fqo n LEU 145 CO 0.35 -0.20 0.49 -1.54 -1.33 0.00 0.00 177.39 175.17 2fqo n SER 146 N -1.35 0.49 -4.84 -1.43 3.41 -0.62 -4.90 113.62 104.38 2fqo n SER 146 Ca 0.05 -0.06 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 2fqo n SER 146 Cb 0.12 0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 64.14 2fqo n SER 146 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2fqo s GLN 147 N -3.04 4.07 0.33 4.33 -1.52 -0.96 -5.05 119.66 117.82 2fqo s GLN 147 Ca 0.10 0.82 -0.26 0.00 -1.95 0.00 0.00 55.36 54.07 2fqo s GLN 147 Cb 0.17 -2.34 -0.09 0.00 -0.22 0.00 0.00 33.01 30.53 2fqo s GLN 147 CO 0.68 0.07 1.00 -0.51 -0.25 0.00 0.00 175.29 176.28 2fqo s ASP 148 N -2.31 7.18 0.33 5.90 1.01 -1.26 -4.94 116.67 122.59 2fqo s ASP 148 Ca 0.57 1.97 0.02 0.00 0.71 0.00 0.00 52.55 55.82 2fqo s ASP 148 Cb -0.10 -2.59 0.59 0.00 1.01 0.00 0.00 42.92 41.83 2fqo s ASP 148 CO 0.17 -0.18 1.95 0.50 0.21 0.00 0.00 175.17 177.82 2fqo h LYS 149 N 3.15 0.91 -0.27 8.23 3.64 -1.97 -1.33 116.57 128.93 2fqo h LYS 149 Ca -0.47 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 58.84 2fqo h LYS 149 Cb 1.20 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 2fqo h LYS 149 CO 0.65 0.60 0.09 1.05 -2.27 0.00 0.00 179.45 179.57 2fqo h GLU 150 N 0.94 0.38 0.04 1.90 4.11 -2.00 -2.47 114.58 117.48 2fqo h GLU 150 Ca 0.33 -0.05 -0.25 0.00 0.07 0.00 0.00 59.36 59.46 2fqo h GLU 150 Cb 0.12 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.30 2fqo h GLU 150 CO -0.11 0.34 -1.04 0.93 0.07 0.00 0.00 179.01 179.21 2fqo h GLU 151 N 0.39 0.47 0.00 1.06 4.39 -1.65 -3.13 114.58 116.10 2fqo h GLU 151 Ca 0.10 -0.56 -0.01 0.00 0.34 0.00 0.00 59.36 59.23 2fqo h GLU 151 Cb 0.12 0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2fqo h GLU 151 CO -0.01 1.20 -0.03 -0.07 -1.16 0.00 0.00 179.01 178.94 2fqo h LEU 152 N 0.24 0.00 -0.25 1.33 3.38 -0.95 -0.41 115.31 118.65 2fqo h LEU 152 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2fqo h LEU 152 Cb 1.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.45 2fqo h LEU 152 CO 0.19 0.03 -0.16 0.18 0.09 0.00 0.00 178.44 178.76 2fqo n LEU 153 N -4.00 0.55 -4.36 1.67 4.77 -1.05 -1.12 117.00 113.47 2fqo n LEU 153 Ca -0.03 -0.02 -0.46 0.00 -0.03 0.00 0.00 56.01 55.48 2fqo n LEU 153 Cb 0.11 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 2fqo n LEU 153 CO 0.30 0.11 0.62 -0.54 -1.33 0.00 0.00 177.39 176.54 2fqo s LYS 154 N -2.55 3.69 0.27 3.23 1.02 -0.17 -4.90 119.74 120.33 2fqo s LYS 154 Ca 0.26 -2.42 -0.01 0.00 0.02 0.00 0.00 55.97 53.82 2fqo s LYS 154 Cb 0.20 -4.57 0.47 0.00 -0.52 0.00 0.00 37.83 33.41 2fqo s LYS 154 CO 0.50 -1.40 1.85 0.28 -0.92 0.00 0.00 175.35 175.67 2fqo h VAL 155 N 4.86 0.98 -0.52 3.17 2.07 -1.81 -2.27 116.25 122.73 2fqo h VAL 155 Ca 0.13 -0.36 -0.20 0.00 0.82 0.00 0.00 66.70 67.10 2fqo h VAL 155 Cb 1.01 -0.14 -0.12 0.00 -1.52 0.00 0.00 31.29 30.52 2fqo h VAL 155 CO 0.87 0.19 0.14 0.49 0.02 0.00 0.00 177.57 179.27 2fqo n PHE 156 N -4.59 1.68 -0.79 1.57 3.01 -1.26 -0.58 117.46 116.50 2fqo n PHE 156 Ca 0.17 -1.39 0.00 0.00 1.01 0.00 0.00 57.45 57.23 2fqo n PHE 156 Cb 0.28 -0.57 0.00 0.00 -0.01 0.00 0.00 39.48 39.18 2fqo n PHE 156 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18