#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qed s MET 1 N 0.00 1.99 0.09 -1.46 1.00 -1.26 -3.86 119.30 115.80 2qed s MET 1 Ca 0.00 -1.02 0.07 0.00 0.00 0.00 0.00 55.69 54.74 2qed s MET 1 Cb 0.00 -2.15 -0.04 0.00 0.00 0.00 0.00 34.83 32.65 2qed s MET 1 CO 0.00 0.53 -0.14 -0.80 0.00 0.00 0.00 175.02 174.61 2qed s ASN 2 N -1.49 4.15 -0.11 3.03 0.01 0.47 -4.91 114.94 116.09 2qed s ASN 2 Ca 0.14 -0.43 -0.01 0.00 -0.71 0.00 0.00 52.86 51.86 2qed s ASN 2 Cb -0.10 -0.73 -0.03 0.00 0.41 0.00 0.00 41.25 40.80 2qed s ASN 2 CO 0.05 0.20 -0.06 -0.22 -1.51 0.00 0.00 177.10 175.56 2qed s LEU 3 N -1.99 3.19 0.16 0.60 2.96 -1.26 -0.71 118.68 121.63 2qed s LEU 3 Ca 0.19 -0.08 0.04 0.00 -0.22 0.00 0.00 54.13 54.06 2qed s LEU 3 Cb -0.11 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.81 2qed s LEU 3 CO 0.11 0.27 -0.07 0.20 -1.32 0.00 0.00 176.35 175.54 2qed s ASN 4 N -0.28 1.69 0.05 3.68 -0.87 0.63 -4.99 114.94 114.86 2qed s ASN 4 Ca 0.04 -1.07 0.03 0.00 -1.57 0.00 0.00 52.86 50.29 2qed s ASN 4 Cb -0.13 0.01 -0.03 0.00 -0.02 0.00 0.00 41.25 41.09 2qed s ASN 4 CO 0.02 -0.40 -0.09 -0.94 -2.57 0.00 0.00 177.10 173.12 2qed s SER 5 N -3.19 1.05 -0.12 -1.22 1.04 -1.26 -0.40 113.70 109.60 2qed s SER 5 Ca 0.19 -0.59 -0.01 0.00 0.48 0.00 0.00 55.95 56.03 2qed s SER 5 Cb 0.04 0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.21 2qed s SER 5 CO 0.02 -0.19 -0.06 -0.63 0.98 0.00 0.00 173.24 173.36 2qed s ILE 6 N -1.46 0.96 0.48 -1.02 1.01 0.20 -4.94 121.20 116.42 2qed s ILE 6 Ca -0.07 -0.33 -0.22 0.00 0.00 0.00 0.00 60.65 60.02 2qed s ILE 6 Cb -0.09 -1.05 -0.07 0.00 0.01 0.00 0.00 42.46 41.26 2qed s ILE 6 CO 0.01 0.28 1.19 -2.84 0.00 0.00 0.00 174.94 173.58 2qed s PRO 7 N 1.73 3.62 0.04 2.79 0.02 -1.26 0.11 135.00 142.04 2qed s PRO 7 Ca 0.04 1.83 -0.06 0.00 0.02 0.00 0.00 61.00 62.83 2qed s PRO 7 Cb -0.13 -2.34 -0.01 0.00 0.02 0.00 0.00 34.50 32.03 2qed s PRO 7 CO -0.08 -0.68 0.11 0.00 -0.33 0.00 0.00 177.00 176.02 2qed s ALA 8 N -1.53 -0.11 0.00 -1.55 0.00 -0.27 -4.84 121.76 113.46 2qed s ALA 8 Ca 0.66 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.10 2qed s ALA 8 Cb -0.30 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.08 2qed s ALA 8 CO 0.36 -0.33 0.00 1.19 0.00 0.00 0.00 175.76 176.98 2qed n PHE 9 N 0.73 0.00 -0.06 0.00 3.72 -1.26 -1.57 117.46 119.01 2qed n PHE 9 Ca -0.19 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.02 2qed n PHE 9 Cb 0.59 0.01 -0.13 0.00 -0.94 0.00 0.00 39.48 39.01 2qed n PHE 9 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2qed n GLN 10 N 14.00 0.71 -0.67 -1.08 3.00 -1.26 -4.73 117.38 127.35 2qed n GLN 10 Ca 0.00 0.21 -0.00 0.00 -0.01 0.00 0.00 57.00 57.19 2qed n GLN 10 Cb 0.00 -1.62 -0.00 0.00 0.00 0.00 0.00 30.24 28.61 2qed n GLN 10 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 2qed n ASP 11 N -3.35 0.03 -4.86 1.08 5.68 -1.23 -5.01 116.55 108.90 2qed n ASP 11 Ca -0.38 -1.66 -0.32 0.00 -0.50 0.00 0.00 54.79 51.93 2qed n ASP 11 Cb 1.03 -0.10 -0.06 0.00 -1.14 0.00 0.00 41.12 40.85 2qed n ASP 11 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 2qed s ASN 12 N -0.79 6.70 -0.07 -1.12 -0.87 -0.61 -0.05 114.94 118.13 2qed s ASN 12 Ca 0.04 1.12 0.05 0.00 -1.57 0.00 0.00 52.86 52.51 2qed s ASN 12 Cb 0.05 -2.31 -0.01 0.00 -0.02 0.00 0.00 41.25 38.96 2qed s ASN 12 CO -0.02 -0.17 -0.23 -0.31 -2.57 0.00 0.00 177.10 173.81 2qed s TYR 13 N -1.94 2.51 -0.44 2.20 2.02 0.14 -1.11 117.35 120.73 2qed s TYR 13 Ca 0.51 -0.69 -0.15 0.00 -0.37 0.00 0.00 57.07 56.37 2qed s TYR 13 Cb -0.11 -1.63 0.05 0.00 -0.40 0.00 0.00 41.96 39.87 2qed s TYR 13 CO 0.20 -0.20 0.34 0.42 -1.57 0.00 0.00 175.55 174.74 2qed s ILE 14 N -0.12 5.13 0.35 2.71 1.01 0.12 -4.73 121.20 125.66 2qed s ILE 14 Ca -0.04 -0.93 -0.26 0.00 0.00 0.00 0.00 60.65 59.42 2qed s ILE 14 Cb -0.14 -3.98 -0.09 0.00 0.01 0.00 0.00 42.46 38.26 2qed s ILE 14 CO 0.04 -0.45 1.00 0.26 0.00 0.00 0.00 174.94 175.79 2qed s TRP 15 N 1.63 3.52 -0.07 3.97 0.52 -1.21 -0.63 118.94 126.67 2qed s TRP 15 Ca 0.04 1.72 0.00 0.00 0.02 0.00 0.00 56.10 57.89 2qed s TRP 15 Cb -0.22 -3.05 0.02 0.00 -1.15 0.00 0.00 33.47 29.08 2qed s TRP 15 CO 0.08 -0.20 -0.06 0.08 0.02 0.00 0.00 176.95 176.86 2qed s VAL 16 N -1.57 0.78 -0.12 4.03 1.01 0.46 -0.19 120.40 124.80 2qed s VAL 16 Ca 0.52 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 62.26 2qed s VAL 16 Cb -0.22 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 2qed s VAL 16 CO 0.27 0.30 0.02 -0.22 0.00 0.00 0.00 175.10 175.47 2qed s LEU 17 N 1.28 3.63 0.02 3.92 2.96 -0.38 -0.27 118.68 129.84 2qed s LEU 17 Ca -0.04 0.10 0.05 0.00 -0.22 0.00 0.00 54.13 54.02 2qed s LEU 17 Cb -0.14 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 2qed s LEU 17 CO -0.02 0.30 -0.15 0.42 -1.32 0.00 0.00 176.35 175.58 2qed s THR 18 N -0.39 1.16 0.56 3.68 -4.23 0.12 -0.66 115.64 115.88 2qed s THR 18 Ca 0.08 -0.85 0.04 0.00 -1.18 0.00 0.00 61.69 59.77 2qed s THR 18 Cb -0.12 -1.01 0.11 0.00 1.34 0.00 0.00 72.50 72.81 2qed s THR 18 CO 0.02 0.15 0.78 -0.46 -0.54 0.00 0.00 174.62 174.57 2qed n ASN 19 N 2.24 1.43 0.28 3.99 0.23 -0.30 -0.39 115.26 122.74 2qed n ASN 19 Ca -0.16 -2.12 0.19 0.00 -0.53 0.00 0.00 54.58 51.96 2qed n ASN 19 Cb 0.55 -0.47 0.87 0.00 -2.08 0.00 0.00 39.78 38.65 2qed n ASN 19 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 2qed h ASP 20 N -0.25 0.00 -0.03 0.53 3.04 -1.90 -0.70 116.42 117.11 2qed h ASP 20 Ca -0.26 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.53 2qed h ASP 20 Cb 1.05 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.34 2qed h ASP 20 CO 0.31 0.00 0.00 -0.62 -2.04 0.00 0.00 179.24 176.89 2qed n GLU 21 N -2.97 1.39 -1.00 4.15 -0.58 -1.26 -4.89 120.64 115.48 2qed n GLU 21 Ca -0.01 -0.58 -0.00 0.00 -0.42 0.00 0.00 57.16 56.15 2qed n GLU 21 Cb 0.20 -1.45 -0.00 0.00 -0.57 0.00 0.00 31.44 29.62 2qed n GLU 21 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qed n GLY 22 N 1.07 0.48 3.81 0.62 0.00 -0.27 -4.88 105.19 106.01 2qed n GLY 22 Ca 0.19 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 2qed n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qed s ARG 23 N -0.33 4.27 0.11 1.61 0.52 -1.26 -0.52 118.95 123.36 2qed s ARG 23 Ca 0.00 0.83 0.05 0.00 -0.52 0.00 0.00 55.73 56.09 2qed s ARG 23 Cb 0.00 -3.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.27 2qed s ARG 23 CO 0.00 0.58 -0.14 0.00 0.02 0.00 0.00 175.30 175.76 2qed s VAL 25 N -2.05 3.10 -0.17 0.00 0.11 0.17 -0.48 120.40 121.07 2qed s VAL 25 Ca 0.07 -0.69 -0.03 0.00 -2.93 0.00 0.00 61.98 58.41 2qed s VAL 25 Cb -0.05 -2.25 -0.02 0.00 -1.53 0.00 0.00 36.38 32.53 2qed s VAL 25 CO 0.02 0.57 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.67 2qed s ILE 26 N -0.36 3.45 -0.23 7.04 1.01 -0.07 -1.25 121.20 130.79 2qed s ILE 26 Ca 0.04 -0.50 -0.07 0.00 0.00 0.00 0.00 60.65 60.12 2qed s ILE 26 Cb -0.12 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.80 2qed s ILE 26 CO 0.02 0.48 0.05 -0.69 0.00 0.00 0.00 174.94 174.80 2qed s VAL 27 N 0.74 4.21 -1.12 2.92 1.01 0.73 -0.38 120.40 128.51 2qed s VAL 27 Ca -0.03 -0.21 -0.20 0.00 0.00 0.00 0.00 61.98 61.54 2qed s VAL 27 Cb -0.15 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 2qed s VAL 27 CO 0.02 0.38 0.80 0.47 0.00 0.00 0.00 175.10 176.77 2qed n ASP 28 N 4.62 -5.47 -4.56 3.32 8.00 0.10 -3.35 116.55 119.22 2qed n ASP 28 Ca -0.17 -0.99 -0.38 0.00 0.71 0.00 0.00 54.79 53.97 2qed n ASP 28 Cb 0.52 -3.49 -0.03 0.00 -0.02 0.00 0.00 41.12 38.09 2qed n ASP 28 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2qed s PRO 29 N -5.83 3.18 0.40 -0.24 0.04 -0.91 -4.55 135.00 127.10 2qed s PRO 29 Ca 0.47 -0.57 0.19 0.00 0.04 0.00 0.00 61.00 61.12 2qed s PRO 29 Cb -0.16 -4.93 0.81 0.00 0.04 0.00 0.00 34.50 30.27 2qed s PRO 29 CO 0.85 -2.49 1.81 0.78 0.04 0.00 0.00 177.00 177.99 2qed h GLY 30 N 14.29 0.00 -5.68 0.56 0.00 -1.62 0.23 103.07 110.85 2qed h GLY 30 Ca 0.02 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.87 2qed h GLY 30 CO 1.33 0.00 -0.81 -0.54 0.00 0.00 0.00 176.54 176.52 2qed s GLU 31 N -3.84 1.38 0.05 4.80 2.02 -1.26 -2.24 118.70 119.61 2qed s GLU 31 Ca -0.01 -0.38 -0.13 0.00 0.02 0.00 0.00 54.97 54.47 2qed s GLU 31 Cb 0.12 -1.20 -0.32 0.00 0.10 0.00 0.00 34.13 32.83 2qed s GLU 31 CO 0.68 0.09 1.06 0.00 0.02 0.00 0.00 175.26 177.10 2qed h ALA 32 N 6.66 -0.07 -0.26 5.21 0.00 -1.82 -3.37 119.26 125.61 2qed h ALA 32 Ca -0.33 -0.84 0.05 0.00 0.00 0.00 0.00 54.91 53.79 2qed h ALA 32 Cb 1.18 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 2qed h ALA 32 CO 0.48 0.75 -0.05 0.00 0.00 0.00 0.00 179.25 180.43 2qed h ALA 33 N 0.28 0.18 -0.12 0.00 0.00 -1.96 0.16 119.26 117.80 2qed h ALA 33 Ca -0.22 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2qed h ALA 33 Cb 2.07 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 20.03 2qed h ALA 33 CO 0.25 -0.46 -0.08 -1.35 0.00 0.00 0.00 179.25 177.62 2qed h PRO 34 N 0.02 0.18 -0.14 0.00 0.11 -1.91 -0.96 132.00 129.30 2qed h PRO 34 Ca 0.12 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.05 2qed h PRO 34 Cb 0.18 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 31.27 2qed h PRO 34 CO -0.25 0.27 -0.51 0.28 -0.21 0.00 0.00 178.00 177.58 2qed h VAL 35 N 0.18 1.34 -0.74 3.15 2.07 -1.33 -1.25 116.25 119.67 2qed h VAL 35 Ca 0.04 -1.79 0.01 0.00 0.82 0.00 0.00 66.70 65.78 2qed h VAL 35 Cb 0.26 2.08 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 2qed h VAL 35 CO 0.01 0.55 0.49 -0.07 0.02 0.00 0.00 177.57 178.57 2qed h LEU 36 N 0.22 0.83 -0.60 2.57 3.38 -0.28 0.20 115.31 121.64 2qed h LEU 36 Ca -0.02 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2qed h LEU 36 Cb 1.14 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 2qed h LEU 36 CO 0.11 0.60 0.24 0.11 0.09 0.00 0.00 178.44 179.59 2qed h LYS 37 N 0.98 0.90 -0.42 1.13 1.57 -1.11 -1.43 116.57 118.19 2qed h LYS 37 Ca 0.28 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 2qed h LYS 37 Cb -0.09 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 2qed h LYS 37 CO -0.07 0.77 -0.11 0.00 -0.57 0.00 0.00 179.45 179.46 2qed h ALA 38 N 1.09 0.59 -0.50 3.86 0.00 -0.58 0.20 119.26 123.91 2qed h ALA 38 Ca 0.20 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.82 2qed h ALA 38 Cb 0.20 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2qed h ALA 38 CO -0.02 0.48 0.26 0.82 0.00 0.00 0.00 179.25 180.79 2qed h ILE 39 N 0.65 0.97 -0.60 0.00 2.04 -0.42 0.53 117.51 120.69 2qed h ILE 39 Ca 0.11 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 2qed h ILE 39 Cb 0.65 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 2qed h ILE 39 CO 0.04 0.09 0.24 0.00 0.00 0.00 0.00 178.15 178.53 2qed h ALA 40 N 1.26 0.78 -0.47 1.87 0.00 -0.94 0.18 119.26 121.94 2qed h ALA 40 Ca 0.22 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2qed h ALA 40 Cb 0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2qed h ALA 40 CO -0.14 0.40 0.11 0.93 0.00 0.00 0.00 179.25 180.54 2qed h GLU 41 N 0.83 0.75 -0.01 0.00 5.08 -0.28 -2.91 114.58 118.05 2qed h GLU 41 Ca 0.20 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2qed h GLU 41 Cb 0.21 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2qed h GLU 41 CO -0.02 0.74 -0.24 0.72 -1.00 0.00 0.00 179.01 179.22 2qed n HIS 42 N -4.49 0.00 -3.95 4.33 8.25 0.12 -4.93 115.22 114.56 2qed n HIS 42 Ca 0.01 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.18 2qed n HIS 42 Cb 0.22 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.17 2qed n HIS 42 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2qed n LYS 43 N -0.84 -4.28 -2.08 -0.41 5.02 0.50 -4.94 118.16 111.14 2qed n LYS 43 Ca 0.12 0.50 -0.33 0.00 -2.02 0.00 0.00 58.31 56.58 2qed n LYS 43 Cb 0.33 -5.07 0.01 0.00 -0.02 0.00 0.00 35.03 30.27 2qed n LYS 43 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2qed s TRP 44 N -3.56 2.94 -0.39 2.13 0.51 -0.40 -4.96 118.94 115.21 2qed s TRP 44 Ca 0.36 1.52 -0.00 0.00 -2.12 0.00 0.00 56.10 55.86 2qed s TRP 44 Cb -0.19 -3.04 0.11 0.00 -0.81 0.00 0.00 33.47 29.54 2qed s TRP 44 CO 0.86 -1.15 0.15 -1.64 -0.51 0.00 0.00 176.95 174.66 2qed s MET 45 N -3.95 1.80 0.20 4.98 -1.94 0.32 -4.86 119.30 115.86 2qed s MET 45 Ca 0.65 -1.86 -0.31 0.00 -1.71 0.00 0.00 55.69 52.46 2qed s MET 45 Cb -0.17 -3.44 -0.10 0.00 2.01 0.00 0.00 34.83 33.14 2qed s MET 45 CO 0.35 -1.02 1.46 -2.14 -0.01 0.00 0.00 175.02 173.66 2qed s PRO 46 N 1.02 4.27 -0.11 2.03 0.02 -1.26 -1.56 135.00 139.40 2qed s PRO 46 Ca 0.10 2.27 0.06 0.00 0.02 0.00 0.00 61.00 63.45 2qed s PRO 46 Cb -0.21 -3.14 -0.11 0.00 0.02 0.00 0.00 34.50 31.06 2qed s PRO 46 CO -0.06 -0.47 -0.02 -1.91 -0.33 0.00 0.00 177.00 174.22 2qed n GLU 47 N 3.02 1.59 -3.53 5.54 2.13 0.36 -4.63 120.64 125.12 2qed n GLU 47 Ca 0.09 0.03 -0.11 0.00 0.66 0.00 0.00 57.16 57.83 2qed n GLU 47 Cb 0.40 -1.25 -0.03 0.00 0.27 0.00 0.00 31.44 30.83 2qed n GLU 47 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qed s ALA 48 N -2.24 -1.36 -0.03 4.31 0.00 -1.11 -2.28 121.76 119.05 2qed s ALA 48 Ca -0.10 0.23 0.07 0.00 0.00 0.00 0.00 51.96 52.16 2qed s ALA 48 Cb 0.03 0.84 -0.02 0.00 0.00 0.00 0.00 23.12 23.98 2qed s ALA 48 CO 0.36 -0.77 -0.22 0.42 0.00 0.00 0.00 175.76 175.55 2qed s ILE 49 N -3.79 2.36 -0.17 0.00 1.01 -0.02 -0.89 121.20 119.70 2qed s ILE 49 Ca 0.03 -0.99 -0.05 0.00 0.00 0.00 0.00 60.65 59.64 2qed s ILE 49 Cb -0.01 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 2qed s ILE 49 CO -0.10 0.58 0.00 -0.36 0.00 0.00 0.00 174.94 175.06 2qed s PHE 50 N -0.63 3.11 -0.11 3.97 0.08 0.49 -0.24 117.98 124.66 2qed s PHE 50 Ca 0.10 -0.16 -0.01 0.00 0.12 0.00 0.00 56.93 56.98 2qed s PHE 50 Cb -0.10 -2.01 -0.02 0.00 -0.57 0.00 0.00 43.02 40.31 2qed s PHE 50 CO -0.00 0.03 -0.08 -0.51 -0.10 0.00 0.00 175.22 174.55 2qed s LEU 51 N 0.39 3.02 -0.10 -0.37 1.43 0.91 0.01 118.68 123.97 2qed s LEU 51 Ca -0.01 -0.17 0.12 0.00 -1.03 0.00 0.00 54.13 53.04 2qed s LEU 51 Cb -0.13 -1.68 -0.24 0.00 0.03 0.00 0.00 46.19 44.16 2qed s LEU 51 CO 0.02 0.24 0.46 0.35 0.23 0.00 0.00 176.35 177.65 2qed n THR 52 N 3.06 1.56 -3.83 5.49 -2.24 -1.26 -4.20 114.28 112.87 2qed n THR 52 Ca -0.18 -0.80 -0.04 0.00 -2.27 0.00 0.00 64.05 60.77 2qed n THR 52 Cb 0.53 -0.96 0.01 0.00 -2.10 0.00 0.00 70.33 67.81 2qed n THR 52 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 2qed s HIS 53 N -2.56 -0.00 -1.53 4.78 0.00 -1.26 -0.55 115.29 114.17 2qed s HIS 53 Ca -0.08 -0.41 0.28 0.00 -3.00 0.00 0.00 55.06 51.85 2qed s HIS 53 Cb 0.07 0.70 1.09 0.00 -4.00 0.00 0.00 32.58 30.45 2qed s HIS 53 CO 0.82 -1.00 1.78 -2.39 -1.00 0.00 0.00 174.74 172.95 2qed n HIS 54 N -0.58 0.00 -1.82 0.38 1.44 -1.26 -4.68 115.22 108.70 2qed n HIS 54 Ca -0.05 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.27 2qed n HIS 54 Cb 0.60 -0.21 0.03 0.00 0.12 0.00 0.00 29.99 30.52 2qed n HIS 54 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2qed s HIS 55 N -2.59 2.41 0.29 -1.40 3.76 -1.26 -4.73 115.29 111.77 2qed s HIS 55 Ca 0.25 1.32 0.01 0.00 -0.15 0.00 0.00 55.06 56.49 2qed s HIS 55 Cb 0.20 -3.85 0.53 0.00 1.11 0.00 0.00 32.58 30.57 2qed s HIS 55 CO 0.51 -2.85 1.86 1.25 -0.85 0.00 0.00 174.74 174.66 2qed h HIS 56 N 1.97 1.13 0.00 1.40 2.76 -1.96 0.11 115.15 120.56 2qed h HIS 56 Ca -0.51 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 2qed h HIS 56 Cb 1.28 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 29.87 2qed h HIS 56 CO 0.49 0.51 0.00 -0.40 -1.30 0.00 0.00 177.93 177.22 2qed n ASP 57 N -4.56 0.00 -0.01 3.26 5.75 -1.26 -0.57 116.55 119.17 2qed n ASP 57 Ca 0.17 0.04 0.06 0.00 -0.01 0.00 0.00 54.79 55.05 2qed n ASP 57 Cb 0.29 -0.26 -0.09 0.00 -1.03 0.00 0.00 41.12 40.03 2qed n ASP 57 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2qed n HIS 58 N -1.26 0.00 -0.01 2.11 8.25 0.32 -2.94 115.22 121.69 2qed n HIS 58 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2qed n HIS 58 Cb 0.10 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 30.96 2qed n HIS 58 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2qed n VAL 59 N -1.89 0.00 -0.28 1.59 0.24 -0.87 -2.13 118.33 114.99 2qed n VAL 59 Ca -0.02 -0.43 0.15 0.00 -2.04 0.00 0.00 64.34 62.00 2qed n VAL 59 Cb 0.30 1.01 0.42 0.00 -1.47 0.00 0.00 33.84 34.10 2qed n VAL 59 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2qed h GLY 60 N 0.00 1.21 -0.12 7.63 0.00 -0.85 -1.43 103.07 109.51 2qed h GLY 60 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2qed h GLY 60 CO 0.00 0.02 -0.05 0.61 0.00 0.00 0.00 176.54 177.12 2qed n GLY 61 N -1.44 -0.26 0.11 4.60 0.00 0.82 -4.37 105.19 104.65 2qed n GLY 61 Ca 0.20 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 2qed n GLY 61 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qed h VAL 62 N 1.82 0.85 -0.50 1.61 2.07 -1.34 -1.16 116.25 119.60 2qed h VAL 62 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 2qed h VAL 62 Cb 0.44 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2qed h VAL 62 CO 0.00 0.00 0.31 0.11 0.02 0.00 0.00 177.57 178.01 2qed h LYS 63 N -0.18 0.61 -0.40 1.57 1.57 -1.80 0.97 116.57 118.92 2qed h LYS 63 Ca -0.01 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.60 2qed h LYS 63 Cb 0.15 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2qed h LYS 63 CO 0.00 0.41 -0.29 1.49 -0.57 0.00 0.00 179.45 180.49 2qed h GLU 64 N 0.63 0.87 -0.75 3.15 4.81 -1.82 -0.58 114.58 120.89 2qed h GLU 64 Ca 0.19 -0.40 -0.05 0.00 -0.13 0.00 0.00 59.36 58.96 2qed h GLU 64 Cb -0.03 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 2qed h GLU 64 CO -0.07 1.05 0.26 -0.07 -0.73 0.00 0.00 179.01 179.45 2qed h LEU 65 N 0.74 1.07 -1.04 1.64 3.38 -0.61 -1.81 115.31 118.68 2qed h LEU 65 Ca 0.08 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 2qed h LEU 65 Cb 0.85 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2qed h LEU 65 CO 0.08 0.98 -0.00 -0.07 0.09 0.00 0.00 178.44 179.51 2qed h LEU 66 N 1.11 0.65 -1.02 1.67 3.38 -0.53 0.22 115.31 120.79 2qed h LEU 66 Ca 0.25 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2qed h LEU 66 Cb 0.28 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 2qed h LEU 66 CO -0.01 0.72 0.55 1.56 0.09 0.00 0.00 178.44 181.35 2qed h GLN 67 N 0.64 1.22 0.04 1.13 4.20 -0.50 -1.84 115.11 120.01 2qed h GLN 67 Ca 0.13 -0.11 -0.23 0.00 0.06 0.00 0.00 58.65 58.51 2qed h GLN 67 Cb 0.41 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 2qed h GLN 67 CO 0.02 0.85 -1.05 0.45 -0.67 0.00 0.00 178.83 178.42 2qed h HIS 68 N 1.25 0.16 -2.30 2.96 3.86 -0.67 -3.39 115.15 117.01 2qed h HIS 68 Ca 0.33 -0.11 -0.59 0.00 -1.16 0.00 0.00 60.37 58.84 2qed h HIS 68 Cb -0.06 -0.01 -0.40 0.00 1.06 0.00 0.00 27.41 28.00 2qed h HIS 68 CO 0.00 1.07 -0.88 1.19 0.86 0.00 0.00 177.93 180.18 2qed n PHE 69 N -3.43 0.93 0.24 2.45 3.72 0.70 -4.93 117.46 117.14 2qed n PHE 69 Ca -0.03 -3.74 0.10 0.00 -0.05 0.00 0.00 57.45 53.73 2qed n PHE 69 Cb 0.95 -0.28 0.46 0.00 -0.94 0.00 0.00 39.48 39.67 2qed n PHE 69 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2qed n PRO 70 N 1.74 0.13 0.13 -1.08 -0.02 -0.72 -1.57 135.00 133.60 2qed n PRO 70 Ca 0.25 0.52 0.12 0.00 -2.02 0.00 0.00 63.50 62.38 2qed n PRO 70 Cb 0.46 -1.84 0.49 0.00 -0.02 0.00 0.00 33.50 32.59 2qed n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qed n GLN 71 N -2.10 0.20 -2.58 -0.52 0.00 -1.26 -4.85 117.38 106.28 2qed n GLN 71 Ca 0.00 0.41 -0.35 0.00 0.00 0.00 0.00 57.00 57.06 2qed n GLN 71 Cb 0.10 -1.88 -0.04 0.00 0.00 0.00 0.00 30.24 28.42 2qed n GLN 71 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 2qed s MET 72 N -3.31 4.07 -0.11 2.61 -1.94 -0.61 -4.92 119.30 115.09 2qed s MET 72 Ca 0.05 1.41 -0.09 0.00 -1.71 0.00 0.00 55.69 55.35 2qed s MET 72 Cb 0.09 -2.37 -0.04 0.00 2.01 0.00 0.00 34.83 34.52 2qed s MET 72 CO 0.41 -0.21 0.19 0.99 -0.01 0.00 0.00 175.02 176.39 2qed s THR 73 N -1.81 5.42 -0.37 2.05 2.01 -0.96 -4.96 115.64 117.01 2qed s THR 73 Ca 0.61 0.32 -0.08 0.00 0.31 0.00 0.00 61.69 62.84 2qed s THR 73 Cb -0.19 -3.46 0.05 0.00 0.01 0.00 0.00 72.50 68.91 2qed s THR 73 CO 0.23 0.59 0.18 -0.69 -0.69 0.00 0.00 174.62 174.24 2qed s VAL 74 N -0.86 4.12 0.09 3.82 1.01 -1.26 -0.84 120.40 126.47 2qed s VAL 74 Ca 0.16 -1.15 -0.24 0.00 0.00 0.00 0.00 61.98 60.75 2qed s VAL 74 Cb -0.13 -3.39 -0.07 0.00 0.00 0.00 0.00 36.38 32.80 2qed s VAL 74 CO 0.05 -0.30 0.72 -0.31 0.00 0.00 0.00 175.10 175.26 2qed s TYR 75 N 1.44 3.80 0.01 5.22 2.02 0.67 0.02 117.35 130.53 2qed s TYR 75 Ca 0.01 1.46 -0.29 0.00 -0.37 0.00 0.00 57.07 57.88 2qed s TYR 75 Cb -0.20 -2.72 0.10 0.00 -0.40 0.00 0.00 41.96 38.73 2qed s TYR 75 CO 0.04 0.42 0.99 0.20 -1.57 0.00 0.00 175.55 175.63 2qed s GLY 76 N -0.63 -0.37 0.89 0.71 0.00 -0.89 -0.06 107.32 106.98 2qed s GLY 76 Ca 0.35 0.82 -0.12 0.00 0.00 0.00 0.00 44.72 45.77 2qed s GLY 76 CO 0.23 0.25 1.11 2.56 0.00 0.00 0.00 173.10 177.25 2qed s PRO 77 N -3.00 1.28 0.43 2.90 0.04 -1.26 -0.41 135.00 134.99 2qed s PRO 77 Ca 0.08 0.49 0.20 0.00 0.04 0.00 0.00 61.00 61.81 2qed s PRO 77 Cb -0.01 -1.84 1.15 0.00 0.04 0.00 0.00 34.50 33.85 2qed s PRO 77 CO -0.05 -2.14 1.83 0.00 0.04 0.00 0.00 177.00 176.68 2qed h ALA 78 N -1.46 2.32 0.00 8.56 0.00 -1.87 0.18 119.26 126.98 2qed h ALA 78 Ca -0.50 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2qed h ALA 78 Cb 1.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2qed h ALA 78 CO 0.60 -0.65 0.00 -0.85 0.00 0.00 0.00 179.25 178.35 2qed n GLU 79 N -4.51 0.10 -0.25 0.00 0.28 -1.26 -0.74 120.64 114.26 2qed n GLU 79 Ca 0.22 0.22 0.09 0.00 -0.16 0.00 0.00 57.16 57.52 2qed n GLU 79 Cb 0.81 -1.50 0.22 0.00 1.43 0.00 0.00 31.44 32.40 2qed n GLU 79 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2qed n THR 80 N -1.38 0.92 0.20 3.84 -2.24 0.63 -4.58 114.28 111.67 2qed n THR 80 Ca 0.05 -0.96 0.06 0.00 -2.27 0.00 0.00 64.05 60.93 2qed n THR 80 Cb 0.13 0.56 0.56 0.00 -2.10 0.00 0.00 70.33 69.48 2qed n THR 80 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2qed h GLN 81 N 3.13 0.12 -0.52 -0.78 4.15 -0.97 0.18 115.11 120.41 2qed h GLN 81 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2qed h GLN 81 Cb 0.84 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.51 2qed h GLN 81 CO 0.00 0.12 0.00 -0.40 -1.93 0.00 0.00 178.83 176.62 2qed n ASP 82 N -4.48 3.20 -0.92 -0.69 5.68 -1.26 -3.76 116.55 114.32 2qed n ASP 82 Ca -0.02 -1.97 0.08 0.00 -0.50 0.00 0.00 54.79 52.38 2qed n ASP 82 Cb 0.12 -0.34 0.21 0.00 -1.14 0.00 0.00 41.12 39.97 2qed n ASP 82 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2qed n LYS 83 N 1.27 2.69 0.00 0.11 4.76 0.57 -4.94 118.16 122.62 2qed n LYS 83 Ca 0.20 -2.25 0.00 0.00 -2.87 0.00 0.00 58.31 53.39 2qed n LYS 83 Cb 0.53 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 32.33 2qed n LYS 83 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qed n GLY 84 N 0.99 0.72 3.70 0.72 0.00 -1.10 -4.72 105.19 105.49 2qed n GLY 84 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2qed n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qed n ALA 85 N -1.13 1.62 0.32 4.61 0.00 -0.92 -4.71 120.51 120.31 2qed n ALA 85 Ca 0.00 0.39 0.04 0.00 0.00 0.00 0.00 53.44 53.87 2qed n ALA 85 Cb 0.00 -2.34 -0.05 0.00 0.00 0.00 0.00 19.45 17.06 2qed n ALA 85 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2qed n THR 86 N 1.78 0.00 -3.64 0.00 -2.24 0.10 -4.80 114.28 105.49 2qed n THR 86 Ca 0.10 -0.28 -0.27 0.00 -2.27 0.00 0.00 64.05 61.32 2qed n THR 86 Cb 0.34 0.86 -0.16 0.00 -2.10 0.00 0.00 70.33 69.27 2qed n THR 86 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2qed s HIS 87 N -1.95 0.57 0.10 4.78 5.65 -0.36 -4.89 115.29 119.18 2qed s HIS 87 Ca 0.02 -0.71 -0.30 0.00 0.25 0.00 0.00 55.06 54.31 2qed s HIS 87 Cb 0.06 -0.92 -0.06 0.00 -1.18 0.00 0.00 32.58 30.49 2qed s HIS 87 CO 0.35 -0.65 1.10 -0.51 -0.65 0.00 0.00 174.74 174.38 2qed s LEU 88 N 2.01 4.43 0.05 8.88 1.43 -1.26 -2.10 118.68 132.13 2qed s LEU 88 Ca 0.04 1.97 0.06 0.00 -1.03 0.00 0.00 54.13 55.16 2qed s LEU 88 Cb -0.16 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 2qed s LEU 88 CO -0.17 -0.30 -0.10 0.68 0.23 0.00 0.00 176.35 176.69 2qed s VAL 89 N 0.42 3.35 0.37 -1.59 -7.23 0.45 -4.89 120.40 111.29 2qed s VAL 89 Ca 0.53 -1.06 0.04 0.00 -1.81 0.00 0.00 61.98 59.68 2qed s VAL 89 Cb -0.28 -2.50 -0.06 0.00 0.56 0.00 0.00 36.38 34.11 2qed s VAL 89 CO 0.31 0.27 0.05 -0.83 -0.31 0.00 0.00 175.10 174.59 2qed s GLY 90 N -1.75 2.33 0.13 2.32 0.00 -1.26 -4.22 107.32 104.87 2qed s GLY 90 Ca 0.18 -1.89 -0.35 0.00 0.00 0.00 0.00 44.72 42.67 2qed s GLY 90 CO 0.10 -1.93 1.48 1.34 0.00 0.00 0.00 173.10 174.09 2qed n ASP 91 N -0.88 2.50 0.00 1.64 2.03 -1.26 -1.62 116.55 118.95 2qed n ASP 91 Ca -0.05 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.36 2qed n ASP 91 Cb 0.67 -1.33 0.00 0.00 -0.72 0.00 0.00 41.12 39.74 2qed n ASP 91 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qed n GLY 92 N 3.06 1.90 3.74 0.27 0.00 0.56 -4.94 105.19 109.77 2qed n GLY 92 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2qed n GLY 92 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qed n ASP 93 N 0.00 2.53 -4.32 1.61 8.00 -0.64 -4.68 116.55 119.05 2qed n ASP 93 Ca 0.00 0.95 -0.31 0.00 0.71 0.00 0.00 54.79 56.13 2qed n ASP 93 Cb 0.00 -1.57 -0.16 0.00 -0.02 0.00 0.00 41.12 39.37 2qed n ASP 93 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2qed s THR 94 N -1.31 2.16 0.07 -3.53 -4.23 -1.26 0.22 115.64 107.76 2qed s THR 94 Ca 0.74 -1.06 0.05 0.00 -1.18 0.00 0.00 61.69 60.23 2qed s THR 94 Cb -0.41 -1.76 -0.03 0.00 1.34 0.00 0.00 72.50 71.64 2qed s THR 94 CO 0.47 0.58 -0.13 0.27 -0.54 0.00 0.00 174.62 175.28 2qed s ILE 95 N -0.57 1.01 -0.39 2.99 -4.36 0.16 -4.95 121.20 115.10 2qed s ILE 95 Ca 0.08 -1.30 -0.13 0.00 -0.26 0.00 0.00 60.65 59.04 2qed s ILE 95 Cb -0.11 -1.03 0.03 0.00 1.25 0.00 0.00 42.46 42.61 2qed s ILE 95 CO -0.00 -0.28 0.25 -0.60 0.24 0.00 0.00 174.94 174.55 2qed s ARG 96 N -1.81 2.88 -0.03 0.37 6.06 -1.26 -0.40 118.95 124.76 2qed s ARG 96 Ca -0.03 -1.08 0.02 0.00 -2.50 0.00 0.00 55.73 52.15 2qed s ARG 96 Cb -0.09 -3.85 0.01 0.00 0.06 0.00 0.00 34.95 31.08 2qed s ARG 96 CO 0.02 -0.74 -0.06 0.08 -2.50 0.00 0.00 175.30 172.10 2qed s VAL 97 N 1.60 0.55 -2.09 7.11 1.01 0.26 -4.71 120.40 124.14 2qed s VAL 97 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.80 2qed s VAL 97 Cb -0.19 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.66 2qed s VAL 97 CO 0.08 0.19 0.00 0.18 0.00 0.00 0.00 175.10 175.55 2qed n LEU 98 N 3.50 -1.40 0.00 3.92 4.77 -1.26 -0.58 117.00 125.95 2qed n LEU 98 Ca -0.20 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 2qed n LEU 98 Cb 0.54 -2.80 0.00 0.00 -2.33 0.00 0.00 43.42 38.83 2qed n LEU 98 CO 0.24 -1.07 0.00 0.61 -1.33 0.00 0.00 177.39 175.85 2qed n GLY 99 N -0.41 1.23 3.84 -0.72 0.00 -1.26 -4.83 105.19 103.03 2qed n GLY 99 Ca -0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 2qed n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qed s GLU 100 N -0.07 2.99 -0.20 1.61 0.41 0.26 -5.07 118.70 118.63 2qed s GLU 100 Ca 0.00 -0.97 -0.12 0.00 -0.41 0.00 0.00 54.97 53.46 2qed s GLU 100 Cb 0.00 -2.63 -0.05 0.00 -1.78 0.00 0.00 34.13 29.68 2qed s GLU 100 CO 0.00 0.42 0.23 0.21 -0.49 0.00 0.00 175.26 175.63 2qed s LYS 101 N -3.70 4.17 -0.08 1.61 2.20 -1.26 -0.57 119.74 122.10 2qed s LYS 101 Ca 0.33 -0.08 0.02 0.00 -0.36 0.00 0.00 55.97 55.87 2qed s LYS 101 Cb -0.08 -3.48 -0.02 0.00 -1.51 0.00 0.00 37.83 32.74 2qed s LYS 101 CO 0.25 0.16 -0.13 -0.06 -0.36 0.00 0.00 175.35 175.21 2qed s PHE 102 N 0.75 2.77 -0.15 4.03 0.08 0.47 -4.47 117.98 121.46 2qed s PHE 102 Ca 0.12 -0.29 -0.08 0.00 0.12 0.00 0.00 56.93 56.81 2qed s PHE 102 Cb -0.13 -1.71 -0.04 0.00 -0.57 0.00 0.00 43.02 40.57 2qed s PHE 102 CO 0.03 0.08 0.11 0.99 -0.10 0.00 0.00 175.22 176.33 2qed s THR 103 N -0.38 5.26 -0.13 0.64 2.01 0.20 -0.66 115.64 122.58 2qed s THR 103 Ca 0.04 0.13 -0.09 0.00 0.31 0.00 0.00 61.69 62.08 2qed s THR 103 Cb -0.12 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 2qed s THR 103 CO 0.02 0.54 0.19 -0.76 -0.69 0.00 0.00 174.62 173.92 2qed s LEU 104 N -0.37 4.35 -0.00 4.42 2.01 0.13 -0.23 118.68 129.00 2qed s LEU 104 Ca 0.11 0.49 0.02 0.00 0.01 0.00 0.00 54.13 54.75 2qed s LEU 104 Cb -0.12 -2.17 -0.00 0.00 0.01 0.00 0.00 46.19 43.91 2qed s LEU 104 CO 0.01 0.32 -0.05 0.72 1.01 0.00 0.00 176.35 178.36 2qed s PHE 105 N -0.59 0.46 0.12 0.29 -0.71 -0.47 -0.32 117.98 116.76 2qed s PHE 105 Ca 0.15 -0.10 -0.30 0.00 -1.04 0.00 0.00 56.93 55.63 2qed s PHE 105 Cb -0.12 -0.29 -0.07 0.00 -1.21 0.00 0.00 43.02 41.32 2qed s PHE 105 CO 0.04 -0.01 1.25 0.00 -1.34 0.00 0.00 175.22 175.16 2qed s ALA 106 N -0.17 3.46 -0.50 1.99 0.00 -1.26 -0.49 121.76 124.78 2qed s ALA 106 Ca 0.01 0.96 0.07 0.00 0.00 0.00 0.00 51.96 53.01 2qed s ALA 106 Cb -0.02 -3.46 0.25 0.00 0.00 0.00 0.00 23.12 19.89 2qed s ALA 106 CO -0.00 -0.47 0.63 0.25 0.00 0.00 0.00 175.76 176.17 2qed n THR 107 N 3.41 0.71 -1.71 0.00 -2.24 0.33 -4.89 114.28 109.89 2qed n THR 107 Ca 0.08 -4.57 -0.36 0.00 -2.27 0.00 0.00 64.05 56.93 2qed n THR 107 Cb 0.45 -2.00 0.07 0.00 -2.10 0.00 0.00 70.33 66.74 2qed n THR 107 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2qed s PRO 108 N -1.79 2.52 0.00 -0.78 0.04 -1.25 -4.47 135.00 129.27 2qed s PRO 108 Ca 0.37 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.30 2qed s PRO 108 Cb 0.16 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.84 2qed s PRO 108 CO -0.07 -1.57 0.00 0.41 0.04 0.00 0.00 177.00 175.81 2qed n GLY 109 N 0.60 0.29 0.23 0.56 0.00 -1.26 -3.10 105.19 102.50 2qed n GLY 109 Ca 0.14 0.10 -0.15 0.00 0.00 0.00 0.00 46.02 46.11 2qed n GLY 109 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2qed h HIS 110 N 0.00 -0.47 -2.51 1.61 -0.00 -1.80 0.31 115.15 112.30 2qed h HIS 110 Ca 0.00 -0.01 -0.52 0.00 -0.00 0.00 0.00 60.37 59.84 2qed h HIS 110 Cb 0.00 0.15 -0.14 0.00 -0.00 0.00 0.00 27.41 27.43 2qed h HIS 110 CO 0.00 -0.23 -0.67 0.95 -0.00 0.00 0.00 177.93 177.98 2qed s THR 111 N -5.69 1.71 0.30 6.26 -4.23 -1.26 -2.24 115.64 110.50 2qed s THR 111 Ca -0.15 -2.12 0.07 0.00 -1.18 0.00 0.00 61.69 58.30 2qed s THR 111 Cb 0.04 -2.54 0.05 0.00 1.34 0.00 0.00 72.50 71.39 2qed s THR 111 CO 0.61 -0.24 1.72 -0.07 -0.54 0.00 0.00 174.62 176.10 2qed h LEU 112 N 2.20 0.26 -2.61 4.79 3.38 -1.86 -3.20 115.31 118.26 2qed h LEU 112 Ca -0.41 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2qed h LEU 112 Cb 1.24 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2qed h LEU 112 CO 0.69 0.62 0.00 0.61 0.09 0.00 0.00 178.44 180.44 2qed n GLY 113 N -0.26 2.23 3.68 0.83 0.00 -1.26 -4.36 105.19 106.04 2qed n GLY 113 Ca -0.01 -0.64 -0.44 0.00 0.00 0.00 0.00 46.02 44.92 2qed n GLY 113 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2qed n HIS 114 N 1.25 2.17 -4.33 1.61 -0.00 -1.21 -4.70 115.22 110.01 2qed n HIS 114 Ca 0.19 0.48 -0.18 0.00 -0.00 0.00 0.00 57.72 58.21 2qed n HIS 114 Cb 0.55 -2.44 -0.10 0.00 -0.00 0.00 0.00 29.99 28.00 2qed n HIS 114 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 2qed s VAL 115 N -0.43 1.56 0.11 3.57 -7.23 0.29 -0.51 120.40 117.77 2qed s VAL 115 Ca 0.64 -2.16 0.10 0.00 -1.81 0.00 0.00 61.98 58.75 2qed s VAL 115 Cb -0.62 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 2qed s VAL 115 CO 0.54 -0.58 -0.26 0.00 -0.31 0.00 0.00 175.10 174.49 2qed s TYR 117 N -1.03 2.79 -0.07 0.00 2.02 -0.41 -1.36 117.35 119.30 2qed s TYR 117 Ca 0.14 -0.52 0.01 0.00 -0.37 0.00 0.00 57.07 56.34 2qed s TYR 117 Cb -0.10 -1.79 0.02 0.00 -0.40 0.00 0.00 41.96 39.68 2qed s TYR 117 CO 0.06 -0.11 -0.07 0.12 -1.57 0.00 0.00 175.55 173.97 2qed s PHE 118 N 0.09 1.13 -0.25 2.71 5.36 0.68 -0.14 117.98 127.56 2qed s PHE 118 Ca -0.05 -0.42 -0.04 0.00 -0.96 0.00 0.00 56.93 55.46 2qed s PHE 118 Cb -0.15 -0.92 0.09 0.00 -0.34 0.00 0.00 43.02 41.70 2qed s PHE 118 CO 0.04 -0.29 0.13 0.45 -1.46 0.00 0.00 175.22 174.09 2qed s SER 119 N 1.04 2.96 -0.03 6.13 0.15 -0.15 0.60 113.70 124.40 2qed s SER 119 Ca -0.08 -0.99 -0.39 0.00 0.70 0.00 0.00 55.95 55.18 2qed s SER 119 Cb -0.14 -0.24 -0.18 0.00 -1.71 0.00 0.00 66.02 63.74 2qed s SER 119 CO -0.00 -0.40 1.31 -1.14 1.20 0.00 0.00 173.24 174.21 2qed n ARG 120 N 5.27 0.68 -0.08 5.44 0.63 -1.26 -0.13 116.66 127.21 2qed n ARG 120 Ca -0.06 0.25 0.12 0.00 -0.92 0.00 0.00 57.85 57.23 2qed n ARG 120 Cb 0.45 -1.84 0.32 0.00 0.45 0.00 0.00 32.46 31.84 2qed n ARG 120 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2qed n PRO 121 N 2.60 2.02 -2.55 -0.14 -0.04 -1.26 -5.06 135.00 130.56 2qed n PRO 121 Ca 0.21 -1.51 -0.42 0.00 -0.04 0.00 0.00 63.50 61.73 2qed n PRO 121 Cb 0.13 -1.45 -0.03 0.00 -0.04 0.00 0.00 33.50 32.11 2qed n PRO 121 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2qed s TYR 122 N -1.80 3.37 -0.21 0.54 2.02 0.82 0.58 117.35 122.67 2qed s TYR 122 Ca 0.34 1.40 0.02 0.00 -0.37 0.00 0.00 57.07 58.46 2qed s TYR 122 Cb 0.20 -3.32 0.04 0.00 -0.40 0.00 0.00 41.96 38.48 2qed s TYR 122 CO 0.30 -0.82 -0.16 -1.17 -1.57 0.00 0.00 175.55 172.13 2qed s LEU 123 N 1.90 2.57 -0.52 -1.29 2.96 0.01 -0.98 118.68 123.33 2qed s LEU 123 Ca 0.53 -0.92 -0.17 0.00 -0.22 0.00 0.00 54.13 53.36 2qed s LEU 123 Cb -0.23 -1.47 0.10 0.00 0.50 0.00 0.00 46.19 45.10 2qed s LEU 123 CO 0.22 -0.08 0.51 -0.36 -1.32 0.00 0.00 176.35 175.32 2qed s PHE 124 N 1.24 3.20 -0.42 5.38 0.08 0.80 -0.29 117.98 127.98 2qed s PHE 124 Ca -0.00 -1.06 0.14 0.00 0.12 0.00 0.00 56.93 56.13 2qed s PHE 124 Cb -0.16 -3.60 0.41 0.00 -0.57 0.00 0.00 43.02 39.10 2qed s PHE 124 CO -0.10 -0.99 1.32 0.00 -0.10 0.00 0.00 175.22 175.36 2qed n GLY 126 N -0.24 2.86 1.02 0.00 0.00 -1.26 -0.63 105.19 106.94 2qed n GLY 126 Ca 0.16 0.30 0.08 0.00 0.00 0.00 0.00 46.02 46.57 2qed n GLY 126 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qed n ASP 127 N 5.85 4.05 -0.07 1.61 9.92 -1.26 -0.86 116.55 135.80 2qed n ASP 127 Ca 0.00 -2.89 -0.13 0.00 -0.53 0.00 0.00 54.79 51.24 2qed n ASP 127 Cb 0.00 -0.53 -0.12 0.00 -0.64 0.00 0.00 41.12 39.83 2qed n ASP 127 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2qed h THR 128 N 2.18 1.55 -4.05 -3.53 2.02 -1.24 -2.23 112.91 107.62 2qed h THR 128 Ca 0.00 -2.20 -0.69 0.00 0.77 0.00 0.00 66.41 64.29 2qed h THR 128 Cb 1.44 2.97 -0.31 0.00 -1.74 0.00 0.00 68.15 70.51 2qed h THR 128 CO 0.23 0.53 -0.88 -0.22 0.37 0.00 0.00 175.52 175.55 2qed s LEU 129 N -8.23 2.11 0.33 2.58 2.96 -1.25 -1.04 118.68 116.14 2qed s LEU 129 Ca -0.18 -0.49 0.10 0.00 -0.22 0.00 0.00 54.13 53.34 2qed s LEU 129 Cb -0.02 -1.38 -0.06 0.00 0.50 0.00 0.00 46.19 45.23 2qed s LEU 129 CO 0.61 0.25 -0.07 -0.36 -1.32 0.00 0.00 176.35 175.47 2qed s PHE 130 N -0.21 2.45 -0.01 5.38 0.08 -0.80 -4.64 117.98 120.23 2qed s PHE 130 Ca -0.02 -0.43 -0.30 0.00 0.12 0.00 0.00 56.93 56.30 2qed s PHE 130 Cb -0.13 -1.34 -0.06 0.00 -0.57 0.00 0.00 43.02 40.92 2qed s PHE 130 CO 0.03 0.57 1.60 0.45 -0.10 0.00 0.00 175.22 177.77 2qed s SER 131 N -3.63 6.69 0.00 1.36 0.15 -1.26 -1.70 113.70 115.31 2qed s SER 131 Ca 0.33 2.27 0.00 0.00 0.70 0.00 0.00 55.95 59.25 2qed s SER 131 Cb -0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2qed s SER 131 CO 0.17 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 174.35 2qed n GLY 132 N 3.99 0.86 0.00 9.45 0.00 -1.26 -4.21 105.19 114.02 2qed n GLY 132 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2qed n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qed n GLY 133 N -2.07 3.47 3.70 -0.02 0.00 -0.69 -4.46 105.19 105.12 2qed n GLY 133 Ca 0.00 -0.85 -0.08 0.00 0.00 0.00 0.00 46.02 45.09 2qed n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qed s GLY 135 N -2.93 2.87 0.48 0.00 0.00 -0.21 -4.75 107.32 102.78 2qed s GLY 135 Ca 0.14 1.21 -0.24 0.00 0.00 0.00 0.00 44.72 45.83 2qed s GLY 135 CO 0.05 1.74 1.31 -1.60 0.00 0.00 0.00 173.10 174.60 2qed s ARG 136 N -2.58 3.56 -1.25 2.90 3.52 -1.26 -4.75 118.95 119.08 2qed s ARG 136 Ca 0.63 2.14 -0.14 0.00 -0.13 0.00 0.00 55.73 58.24 2qed s ARG 136 Cb -0.37 -2.47 0.15 0.00 -1.56 0.00 0.00 34.95 30.70 2qed s ARG 136 CO 0.46 -0.82 1.60 1.28 -0.81 0.00 0.00 175.30 177.00 2qed n LEU 137 N -0.50 5.46 0.01 -0.88 4.77 -1.26 -4.16 117.00 120.44 2qed n LEU 137 Ca 0.07 -4.37 -0.05 0.00 -0.03 0.00 0.00 56.01 51.63 2qed n LEU 137 Cb 0.45 -1.62 0.16 0.00 -2.33 0.00 0.00 43.42 40.07 2qed n LEU 137 CO 0.53 0.74 0.66 -0.26 -1.33 0.00 0.00 177.39 177.73 2qed h PHE 138 N 6.95 0.58 0.00 -1.77 0.04 -1.57 -3.40 116.94 117.77 2qed h PHE 138 Ca 0.37 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.99 2qed h PHE 138 Cb 0.82 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.84 2qed h PHE 138 CO 1.20 0.77 -0.72 0.39 -0.60 0.00 0.00 178.31 179.35 2qed n GLU 139 N -4.07 1.57 -2.74 1.51 1.02 -0.95 -5.02 120.64 111.96 2qed n GLU 139 Ca -0.01 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.91 2qed n GLU 139 Cb 0.46 -0.86 0.07 0.00 -0.02 0.00 0.00 31.44 31.10 2qed n GLU 139 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2qed s GLY 140 N -3.03 1.78 0.41 0.62 0.00 0.11 -4.78 107.32 102.43 2qed s GLY 140 Ca 0.00 -1.75 -0.00 0.00 0.00 0.00 0.00 44.72 42.97 2qed s GLY 140 CO 0.00 -1.29 0.64 -0.51 0.00 0.00 0.00 173.10 171.93 2qed s THR 141 N -2.89 4.61 0.35 0.90 -4.23 -1.26 -4.87 115.64 108.25 2qed s THR 141 Ca 0.63 -0.38 0.06 0.00 -1.18 0.00 0.00 61.69 60.82 2qed s THR 141 Cb -0.07 -3.70 0.30 0.00 1.34 0.00 0.00 72.50 70.37 2qed s THR 141 CO 0.41 -0.51 1.92 -0.65 -0.54 0.00 0.00 174.62 175.25 2qed h PRO 142 N 0.52 0.75 -0.55 3.99 0.11 -1.95 -1.12 132.00 133.76 2qed h PRO 142 Ca -0.48 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.62 2qed h PRO 142 Cb 1.23 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 2qed h PRO 142 CO 0.60 0.50 0.32 1.03 -0.21 0.00 0.00 178.00 180.23 2qed h SER 143 N 0.78 0.50 -0.15 -2.05 0.87 -1.94 0.21 113.55 111.77 2qed h SER 143 Ca 0.37 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.93 2qed h SER 143 Cb 0.42 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 2qed h SER 143 CO -0.15 0.35 0.05 1.56 -0.53 0.00 0.00 176.83 178.11 2qed h GLN 144 N 0.62 0.23 -0.83 2.24 4.20 -1.58 -0.87 115.11 119.12 2qed h GLN 144 Ca 0.23 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.90 2qed h GLN 144 Cb 0.06 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 2qed h GLN 144 CO -0.12 0.36 0.55 1.98 -0.67 0.00 0.00 178.83 180.93 2qed h MET 145 N 0.06 1.09 -0.19 1.46 4.05 -0.95 0.13 114.93 120.58 2qed h MET 145 Ca 0.05 -0.07 0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2qed h MET 145 Cb 0.22 -0.25 -0.01 0.00 -0.80 0.00 0.00 31.60 30.76 2qed h MET 145 CO -0.00 0.72 0.10 -0.92 0.23 0.00 0.00 176.91 177.04 2qed h TYR 146 N 1.13 0.18 -0.65 1.39 3.20 -0.34 0.31 116.97 122.19 2qed h TYR 146 Ca 0.31 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.21 2qed h TYR 146 Cb -0.12 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.05 2qed h TYR 146 CO -0.01 0.11 0.40 1.96 -1.64 0.00 0.00 178.16 178.97 2qed h GLN 147 N 0.21 0.77 -0.67 1.82 1.08 -0.70 -0.44 115.11 117.18 2qed h GLN 147 Ca 0.08 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 2qed h GLN 147 Cb 0.01 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.24 2qed h GLN 147 CO -0.05 0.51 0.34 0.77 -0.95 0.00 0.00 178.83 179.45 2qed h SER 148 N 0.79 0.87 0.06 1.46 0.02 0.07 -0.29 113.55 116.54 2qed h SER 148 Ca 0.26 -0.12 -0.11 0.00 -0.84 0.00 0.00 61.79 60.98 2qed h SER 148 Cb 0.01 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 2qed h SER 148 CO -0.10 0.75 -0.35 -0.07 -1.14 0.00 0.00 176.83 175.91 2qed h LEU 149 N 0.93 0.42 -0.88 5.07 3.38 0.00 -1.54 115.31 122.70 2qed h LEU 149 Ca 0.23 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 2qed h LEU 149 Cb 0.10 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2qed h LEU 149 CO -0.03 0.75 -0.20 0.24 0.09 0.00 0.00 178.44 179.28 2qed h MET 150 N 0.35 0.60 -0.19 1.13 2.86 -0.48 0.26 114.93 119.45 2qed h MET 150 Ca 0.04 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 2qed h MET 150 Cb 0.79 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 2qed h MET 150 CO 0.06 0.77 0.10 0.87 1.06 0.00 0.00 176.91 179.78 2qed h LYS 151 N 0.54 0.27 -0.57 1.72 1.57 -0.56 -1.36 116.57 118.18 2qed h LYS 151 Ca 0.08 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 2qed h LYS 151 Cb 0.65 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 2qed h LYS 151 CO 0.05 0.27 0.22 0.82 -0.57 0.00 0.00 179.45 180.23 2qed h ILE 152 N 0.21 1.23 0.00 1.86 2.04 -0.99 -2.26 117.51 119.59 2qed h ILE 152 Ca 0.07 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.20 2qed h ILE 152 Cb 0.08 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2qed h ILE 152 CO -0.01 0.28 0.00 -1.13 0.00 0.00 0.00 178.15 177.29 2qed h ASN 153 N 0.79 0.00 0.60 1.72 -1.24 -0.19 -1.08 115.58 116.19 2qed h ASN 153 Ca 0.19 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.20 2qed h ASN 153 Cb 0.22 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.27 2qed h ASN 153 CO -0.01 0.00 -0.05 -1.54 -1.29 0.00 0.00 177.43 174.54 2qed n SER 154 N -2.90 0.13 -4.77 1.15 3.41 -0.54 -4.86 113.62 105.23 2qed n SER 154 Ca -0.01 -0.12 -0.30 0.00 -0.26 0.00 0.00 58.87 58.19 2qed n SER 154 Cb 0.17 -0.25 0.11 0.00 -0.26 0.00 0.00 64.21 63.98 2qed n SER 154 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2qed s LEU 155 N -2.65 2.37 0.75 1.04 1.43 -0.41 -4.97 118.68 116.22 2qed s LEU 155 Ca 0.25 1.31 -0.14 0.00 -1.03 0.00 0.00 54.13 54.51 2qed s LEU 155 Cb 0.20 -3.80 0.05 0.00 0.03 0.00 0.00 46.19 42.66 2qed s LEU 155 CO 0.49 -2.30 1.18 -2.84 0.23 0.00 0.00 176.35 173.11 2qed s PRO 156 N -5.10 2.09 0.45 1.29 0.02 -1.26 -4.87 135.00 127.62 2qed s PRO 156 Ca 0.62 1.65 0.18 0.00 0.02 0.00 0.00 61.00 63.48 2qed s PRO 156 Cb -0.16 -1.84 1.13 0.00 0.02 0.00 0.00 34.50 33.66 2qed s PRO 156 CO 0.55 -1.85 1.93 -0.44 -0.33 0.00 0.00 177.00 176.86 2qed h ASP 157 N -0.50 0.31 -0.10 2.53 3.32 -1.94 -1.36 116.42 118.67 2qed h ASP 157 Ca -0.47 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2qed h ASP 157 Cb 1.28 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2qed h ASP 157 CO 0.49 0.16 0.00 -0.90 -1.72 0.00 0.00 179.24 177.27 2qed n ASP 158 N -4.45 0.91 -4.67 6.45 5.75 -1.26 -1.10 116.55 118.17 2qed n ASP 158 Ca 0.14 -1.62 -0.46 0.00 -0.01 0.00 0.00 54.79 52.84 2qed n ASP 158 Cb 0.56 -0.06 -0.04 0.00 -1.03 0.00 0.00 41.12 40.55 2qed n ASP 158 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2qed n THR 159 N -0.17 0.05 -3.14 2.12 -1.04 -0.51 -4.73 114.28 106.86 2qed n THR 159 Ca 0.14 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.05 61.72 2qed n THR 159 Cb 0.20 -1.61 -0.07 0.00 -1.82 0.00 0.00 70.33 67.03 2qed n THR 159 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2qed s LEU 160 N 1.21 4.44 -0.57 -4.42 1.43 0.20 -0.04 118.68 120.92 2qed s LEU 160 Ca 0.80 -0.20 -0.28 0.00 -1.03 0.00 0.00 54.13 53.42 2qed s LEU 160 Cb -0.66 -2.70 0.03 0.00 0.03 0.00 0.00 46.19 42.88 2qed s LEU 160 CO 0.38 -0.68 1.26 -0.63 0.23 0.00 0.00 176.35 176.91 2qed s ILE 161 N 2.70 3.95 -0.91 -0.59 -1.09 0.20 -0.81 121.20 124.64 2qed s ILE 161 Ca 0.22 0.85 -0.02 0.00 -2.23 0.00 0.00 60.65 59.47 2qed s ILE 161 Cb -0.15 -4.64 0.23 0.00 -1.58 0.00 0.00 42.46 36.33 2qed s ILE 161 CO 0.17 -1.28 0.85 0.00 -1.23 0.00 0.00 174.94 173.45 2qed n ALA 164 N -2.67 2.90 -2.59 0.00 0.00 -0.04 -4.76 120.51 113.36 2qed n ALA 164 Ca 0.10 -0.28 -0.22 0.00 0.00 0.00 0.00 53.44 53.04 2qed n ALA 164 Cb 0.60 -1.11 -0.14 0.00 0.00 0.00 0.00 19.45 18.80 2qed n ALA 164 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2qed s HIS 165 N -3.23 1.32 -1.46 0.00 3.76 -1.26 0.29 115.29 114.71 2qed s HIS 165 Ca 0.04 -0.30 -0.14 0.00 -0.15 0.00 0.00 55.06 54.50 2qed s HIS 165 Cb 0.12 -0.81 0.04 0.00 1.11 0.00 0.00 32.58 33.04 2qed s HIS 165 CO 0.76 0.01 2.22 -1.91 -0.85 0.00 0.00 174.74 174.97 2qed n GLU 166 N 2.29 2.86 -0.08 1.40 4.07 0.92 -4.49 120.64 127.61 2qed n GLU 166 Ca -0.16 -2.62 0.07 0.00 -0.06 0.00 0.00 57.16 54.39 2qed n GLU 166 Cb 0.55 -3.29 0.10 0.00 -0.06 0.00 0.00 31.44 28.74 2qed n GLU 166 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2qed n TYR 167 N 6.11 0.21 -0.00 4.31 4.01 -1.26 -4.77 117.16 125.77 2qed n TYR 167 Ca 0.52 -0.18 -0.10 0.00 -0.16 0.00 0.00 57.90 57.97 2qed n TYR 167 Cb 0.39 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.36 2qed n TYR 167 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 2qed h THR 168 N 2.63 0.96 -0.18 -0.72 2.02 -1.79 0.11 112.91 115.93 2qed h THR 168 Ca 0.00 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.16 2qed h THR 168 Cb 0.65 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 2qed h THR 168 CO 0.00 0.01 0.10 0.25 0.37 0.00 0.00 175.52 176.26 2qed h LEU 169 N 0.07 0.17 -1.02 2.58 5.85 -1.87 0.95 115.31 122.04 2qed h LEU 169 Ca 0.05 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 2qed h LEU 169 Cb 0.04 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2qed h LEU 169 CO -0.06 0.13 0.45 0.00 -0.34 0.00 0.00 178.44 178.62 2qed h ALA 170 N 1.08 1.25 -0.70 1.25 0.00 -1.84 -0.24 119.26 120.05 2qed h ALA 170 Ca 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2qed h ALA 170 Cb -0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 2qed h ALA 170 CO -0.03 0.61 0.40 -0.91 0.00 0.00 0.00 179.25 179.32 2qed h ASN 171 N 1.15 0.86 0.26 0.00 2.35 0.10 -0.65 115.58 119.66 2qed h ASN 171 Ca 0.29 -0.08 -0.18 0.00 -0.55 0.00 0.00 56.30 55.78 2qed h ASN 171 Cb 0.02 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.17 2qed h ASN 171 CO -0.05 0.69 -0.73 0.40 -1.65 0.00 0.00 177.43 176.09 2qed h ILE 172 N 0.96 1.38 -0.82 2.81 1.08 -0.32 0.15 117.51 122.75 2qed h ILE 172 Ca 0.25 -2.15 0.02 0.00 -0.39 0.00 0.00 64.86 62.60 2qed h ILE 172 Cb 0.01 2.12 -0.05 0.00 -3.07 0.00 0.00 36.82 35.83 2qed h ILE 172 CO -0.04 0.64 0.53 0.11 -0.69 0.00 0.00 178.15 178.70 2qed h LYS 173 N 0.27 1.02 -0.41 2.37 1.57 -0.77 0.11 116.57 120.73 2qed h LYS 173 Ca -0.03 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2qed h LYS 173 Cb 1.31 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 2qed h LYS 173 CO 0.13 0.67 0.24 0.35 -0.57 0.00 0.00 179.45 180.27 2qed h PHE 174 N 1.05 0.55 -0.96 -1.35 3.57 -0.66 -2.63 116.94 116.51 2qed h PHE 174 Ca 0.32 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.86 2qed h PHE 174 Cb -0.04 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 38.46 2qed h PHE 174 CO -0.02 0.40 0.62 0.00 -2.23 0.00 0.00 178.31 177.08 2qed h ALA 175 N 1.10 1.43 0.00 2.41 0.00 0.19 0.46 119.26 124.84 2qed h ALA 175 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2qed h ALA 175 Cb 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2qed h ALA 175 CO -0.03 0.45 0.00 -0.07 0.00 0.00 0.00 179.25 179.61 2qed h LEU 176 N 1.15 0.00 -0.37 0.00 3.38 -0.57 0.14 115.31 119.04 2qed h LEU 176 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2qed h LEU 176 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2qed h LEU 176 CO -0.14 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.16 2qed h SER 177 N 0.00 0.00 0.00 -0.43 4.64 -0.54 -2.67 113.55 114.54 2qed h SER 177 Ca 0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 2qed h SER 177 Cb 0.47 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.51 2qed h SER 177 CO 0.00 0.00 -1.96 -0.38 -0.87 0.00 0.00 176.83 173.62 2qed n ILE 178 N -2.42 1.41 -3.63 0.95 2.08 -0.28 -4.77 119.36 112.70 2qed n ILE 178 Ca 0.04 -0.20 -0.27 0.00 0.56 0.00 0.00 62.75 62.87 2qed n ILE 178 Cb 0.36 -1.97 -0.10 0.00 -0.75 0.00 0.00 39.64 37.19 2qed n ILE 178 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2qed n LEU 179 N -4.20 3.46 0.30 1.39 4.77 -0.12 -4.94 117.00 117.67 2qed n LEU 179 Ca -0.39 -5.35 0.17 0.00 -0.03 0.00 0.00 56.01 50.41 2qed n LEU 179 Cb 0.74 -0.71 0.98 0.00 -2.33 0.00 0.00 43.42 42.10 2qed n LEU 179 CO 0.07 1.93 1.14 -0.65 -1.33 0.00 0.00 177.39 178.56 2qed h PRO 180 N 4.68 0.00 -0.38 3.23 0.11 -1.69 -2.04 132.00 135.90 2qed h PRO 180 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2qed h PRO 180 Cb 0.70 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.81 2qed h PRO 180 CO 0.79 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.30 2qed n HIS 181 N -3.65 0.53 -2.02 0.65 8.25 -1.26 -4.89 115.22 112.82 2qed n HIS 181 Ca -0.03 -0.51 -0.42 0.00 -0.26 0.00 0.00 57.72 56.50 2qed n HIS 181 Cb 0.11 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.15 2qed n HIS 181 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2qed s ASP 182 N -1.02 6.68 0.12 0.41 -1.08 -0.77 -4.89 116.67 116.12 2qed s ASP 182 Ca 0.26 2.39 -0.18 0.00 -0.52 0.00 0.00 52.55 54.50 2qed s ASP 182 Cb 0.14 -2.57 -0.04 0.00 -1.46 0.00 0.00 42.92 38.99 2qed s ASP 182 CO 0.17 -0.82 1.73 0.28 0.52 0.00 0.00 175.17 177.05 2qed h SER 183 N 7.98 0.35 -0.28 -0.34 0.02 -1.93 -0.76 113.55 118.58 2qed h SER 183 Ca -0.41 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.43 2qed h SER 183 Cb 1.20 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 2qed h SER 183 CO 0.92 0.32 0.05 -0.26 -1.14 0.00 0.00 176.83 176.72 2qed h PHE 184 N 0.35 0.49 -0.61 3.45 0.04 -1.90 -0.85 116.94 117.92 2qed h PHE 184 Ca 0.10 -0.07 -0.09 0.00 2.80 0.00 0.00 57.97 60.71 2qed h PHE 184 Cb 0.05 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 2qed h PHE 184 CO -0.04 0.56 0.02 0.82 -0.60 0.00 0.00 178.31 179.07 2qed h ILE 185 N 0.29 1.26 -0.61 -0.55 2.04 -1.78 -0.10 117.51 118.07 2qed h ILE 185 Ca 0.09 -1.13 -0.05 0.00 1.00 0.00 0.00 64.86 64.76 2qed h ILE 185 Cb 0.33 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 2qed h ILE 185 CO 0.00 0.41 0.17 0.78 0.00 0.00 0.00 178.15 179.51 2qed h ASN 186 N 0.97 0.90 -0.56 1.72 4.21 -1.02 0.20 115.58 122.00 2qed h ASN 186 Ca 0.18 -0.22 -0.01 0.00 1.21 0.00 0.00 56.30 57.45 2qed h ASN 186 Cb 0.53 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 37.47 2qed h ASN 186 CO 0.03 0.89 0.31 -0.08 -1.29 0.00 0.00 177.43 177.28 2qed h GLU 187 N 0.87 0.78 -0.56 0.81 4.81 -0.82 -1.62 114.58 118.86 2qed h GLU 187 Ca 0.19 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 59.24 2qed h GLU 187 Cb 0.32 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 2qed h GLU 187 CO -0.00 0.60 0.00 -0.92 -0.73 0.00 0.00 179.01 177.96 2qed h TYR 188 N 0.75 1.07 -0.52 0.92 3.20 -0.63 -1.82 116.97 119.94 2qed h TYR 188 Ca 0.20 -0.18 0.07 0.00 3.14 0.00 0.00 58.73 61.96 2qed h TYR 188 Cb 0.04 -0.28 -0.06 0.00 1.54 0.00 0.00 36.73 37.97 2qed h TYR 188 CO -0.01 0.96 0.18 -0.92 -1.64 0.00 0.00 178.16 176.73 2qed h TYR 189 N 0.86 0.32 -0.26 -3.82 3.20 -0.33 0.35 116.97 117.29 2qed h TYR 189 Ca 0.16 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.07 2qed h TYR 189 Cb 0.54 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 2qed h TYR 189 CO 0.04 0.09 0.13 -0.09 -1.64 0.00 0.00 178.16 176.70 2qed h ARG 190 N 0.36 0.28 -0.39 1.82 2.43 -0.94 0.14 114.38 118.08 2qed h ARG 190 Ca 0.25 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 2qed h ARG 190 Cb 0.29 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2qed h ARG 190 CO -0.26 0.18 0.15 0.87 -1.51 0.00 0.00 179.97 179.40 2qed h LYS 191 N 0.28 0.59 -0.39 0.20 1.57 -0.59 -2.48 116.57 115.75 2qed h LYS 191 Ca 0.11 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 2qed h LYS 191 Cb 0.02 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2qed h LYS 191 CO -0.07 0.57 -0.25 0.28 -0.57 0.00 0.00 179.45 179.41 2qed h VAL 192 N 0.49 1.27 -0.83 0.50 2.07 -0.08 -1.70 116.25 117.96 2qed h VAL 192 Ca 0.13 -1.38 0.01 0.00 0.82 0.00 0.00 66.70 66.27 2qed h VAL 192 Cb 0.21 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 2qed h VAL 192 CO -0.01 0.46 0.54 0.11 0.02 0.00 0.00 177.57 178.70 2qed h LYS 193 N 0.70 1.10 -0.41 1.57 1.57 -0.59 -0.20 116.57 120.31 2qed h LYS 193 Ca 0.09 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.65 2qed h LYS 193 Cb 0.78 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 2qed h LYS 193 CO 0.06 0.74 -0.31 0.93 -0.57 0.00 0.00 179.45 180.30 2qed h GLU 194 N 1.13 0.92 -0.17 3.15 4.39 -1.05 0.40 114.58 123.35 2qed h GLU 194 Ca 0.30 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 59.56 2qed h GLU 194 Cb -0.11 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 2qed h GLU 194 CO -0.06 1.10 0.11 -0.07 -1.16 0.00 0.00 179.01 178.92 2qed h LEU 195 N 0.77 0.19 -0.51 1.33 3.38 -0.96 -2.39 115.31 117.12 2qed h LEU 195 Ca 0.08 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 2qed h LEU 195 Cb 0.89 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2qed h LEU 195 CO 0.08 0.14 -0.27 0.03 0.09 0.00 0.00 178.44 178.51 2qed h ARG 196 N 0.22 0.93 -0.53 1.13 2.47 -0.74 0.18 114.38 118.05 2qed h ARG 196 Ca 0.06 -0.42 0.03 0.00 -1.26 0.00 0.00 59.98 58.39 2qed h ARG 196 Cb -0.02 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.25 2qed h ARG 196 CO -0.02 1.08 0.35 0.28 0.56 0.00 0.00 179.97 182.22 2qed h VAL 197 N 0.79 1.07 -0.16 2.04 2.07 -0.87 0.79 116.25 121.99 2qed h VAL 197 Ca 0.09 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2qed h VAL 197 Cb 0.84 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2qed h VAL 197 CO 0.07 0.11 0.00 0.29 0.02 0.00 0.00 177.57 178.07 2qed n LYS 198 N -4.47 1.51 -3.27 1.57 5.02 -0.82 -4.90 118.16 112.80 2qed n LYS 198 Ca 0.06 -0.78 -0.22 0.00 -2.02 0.00 0.00 58.31 55.35 2qed n LYS 198 Cb 0.13 -1.29 0.06 0.00 -0.02 0.00 0.00 35.03 33.90 2qed n LYS 198 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2qed n LYS 199 N 0.05 -6.17 -4.29 1.97 5.02 0.27 -4.99 118.16 110.01 2qed n LYS 199 Ca 0.13 0.83 -0.32 0.00 -2.02 0.00 0.00 58.31 56.92 2qed n LYS 199 Cb 0.23 -5.67 -0.09 0.00 -0.02 0.00 0.00 35.03 29.47 2qed n LYS 199 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2qed s GLN 200 N -5.95 2.66 0.72 1.97 -0.21 0.58 -5.00 119.66 114.42 2qed s GLN 200 Ca 0.43 -0.70 -0.11 0.00 0.02 0.00 0.00 55.36 55.00 2qed s GLN 200 Cb -0.19 -2.59 0.02 0.00 1.00 0.00 0.00 33.01 31.25 2qed s GLN 200 CO 0.53 0.60 1.07 0.00 -2.12 0.00 0.00 175.29 175.37 2qed s MET 201 N -1.69 2.71 0.00 2.91 0.23 -1.26 -3.99 119.30 118.20 2qed s MET 201 Ca 0.20 1.07 0.15 0.00 -1.03 0.00 0.00 55.69 56.08 2qed s MET 201 Cb -0.11 -1.96 0.34 0.00 -1.53 0.00 0.00 34.83 31.57 2qed s MET 201 CO 0.11 -1.29 1.26 0.25 -2.03 0.00 0.00 175.02 173.32 2qed n THR 202 N -3.17 0.76 -4.36 3.16 -2.24 -1.26 -4.94 114.28 102.22 2qed n THR 202 Ca 0.08 -0.88 -0.22 0.00 -2.27 0.00 0.00 64.05 60.77 2qed n THR 202 Cb 0.53 0.70 -0.11 0.00 -2.10 0.00 0.00 70.33 69.35 2qed n THR 202 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2qed s LEU 203 N -1.06 2.49 0.82 3.22 1.43 -1.26 -4.53 118.68 119.79 2qed s LEU 203 Ca 0.28 -0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 52.35 2qed s LEU 203 Cb 0.15 -0.86 0.12 0.00 0.03 0.00 0.00 46.19 45.63 2qed s LEU 203 CO 0.21 -0.04 1.17 -2.16 0.23 0.00 0.00 176.35 175.76 2qed s PRO 204 N -3.08 1.59 0.14 1.29 0.04 -1.26 -5.11 135.00 128.61 2qed s PRO 204 Ca 0.20 -0.23 0.08 0.00 0.04 0.00 0.00 61.00 61.09 2qed s PRO 204 Cb -0.05 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2qed s PRO 204 CO 0.08 -1.75 -0.19 0.08 0.04 0.00 0.00 177.00 175.26 2qed s VAL 205 N -3.56 1.76 -0.07 -0.36 1.01 -1.07 -4.92 120.40 113.19 2qed s VAL 205 Ca 0.66 -1.75 -0.19 0.00 0.00 0.00 0.00 61.98 60.70 2qed s VAL 205 Cb -0.08 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 2qed s VAL 205 CO 0.49 -0.20 0.51 -0.63 0.00 0.00 0.00 175.10 175.26 2qed s ILE 206 N -1.66 5.09 0.27 2.22 1.01 -1.26 0.58 121.20 127.46 2qed s ILE 206 Ca 0.11 1.03 -0.00 0.00 0.00 0.00 0.00 60.65 61.79 2qed s ILE 206 Cb -0.08 -3.84 0.28 0.00 0.01 0.00 0.00 42.46 38.83 2qed s ILE 206 CO 0.05 0.38 1.85 0.25 0.00 0.00 0.00 174.94 177.48 2qed h LEU 207 N 6.19 0.97 -1.72 2.97 5.85 -0.45 0.18 115.31 129.30 2qed h LEU 207 Ca -0.43 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.38 2qed h LEU 207 Cb 1.19 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 2qed h LEU 207 CO 0.72 0.56 0.29 0.07 -0.34 0.00 0.00 178.44 179.75 2qed h LYS 208 N 1.07 0.33 0.17 1.25 2.10 -1.39 -0.44 116.57 119.67 2qed h LYS 208 Ca 0.47 -0.02 -0.33 0.00 -2.00 0.00 0.00 60.65 58.77 2qed h LYS 208 Cb 0.35 -0.08 0.01 0.00 -0.90 0.00 0.00 32.23 31.61 2qed h LYS 208 CO -0.23 0.22 -1.66 -0.91 -2.00 0.00 0.00 179.45 174.87 2qed h ASN 209 N 0.34 0.56 -0.90 7.07 2.35 -1.33 -3.35 115.58 120.32 2qed h ASN 209 Ca 0.19 -0.92 0.11 0.00 -0.55 0.00 0.00 56.30 55.13 2qed h ASN 209 Cb 0.31 -0.18 -0.08 0.00 0.05 0.00 0.00 38.32 38.42 2qed h ASN 209 CO -0.04 1.75 0.53 -0.08 -1.65 0.00 0.00 177.43 177.94 2qed h GLU 210 N -0.00 0.83 0.00 0.81 4.57 -0.03 -0.61 114.58 120.16 2qed h GLU 210 Ca -0.33 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 2qed h GLU 210 Cb 2.01 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 30.41 2qed h GLU 210 CO 0.15 0.55 0.00 2.89 -1.18 0.00 0.00 179.01 181.42 2qed n ARG 211 N -4.70 0.14 0.16 1.92 1.85 -0.24 -0.95 116.66 114.84 2qed n ARG 211 Ca 0.16 0.32 0.05 0.00 -1.00 0.00 0.00 57.85 57.37 2qed n ARG 211 Cb 0.32 -1.74 0.09 0.00 -1.05 0.00 0.00 32.46 30.08 2qed n ARG 211 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 2qed h LYS 212 N 0.00 0.00 -0.00 2.89 1.57 -1.26 -3.36 116.57 116.41 2qed h LYS 212 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qed h LYS 212 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2qed h LYS 212 CO 0.00 0.40 -0.01 0.44 -0.57 0.00 0.00 179.45 179.71 2qed n ILE 213 N -3.23 0.00 -3.52 1.86 -6.64 -0.54 -4.57 119.36 102.71 2qed n ILE 213 Ca 0.02 -0.50 -0.42 0.00 -1.77 0.00 0.00 62.75 60.09 2qed n ILE 213 Cb 0.68 1.03 -0.10 0.00 -1.44 0.00 0.00 39.64 39.81 2qed n ILE 213 CO 0.00 0.00 0.00 0.21 -1.77 0.00 0.00 176.55 174.99 2qed s ASN 214 N -0.27 5.86 0.58 7.28 3.84 -0.12 -4.61 114.94 127.50 2qed s ASN 214 Ca 0.02 -1.25 0.27 0.00 0.21 0.00 0.00 52.86 52.11 2qed s ASN 214 Cb 0.01 -2.07 1.72 0.00 -0.55 0.00 0.00 41.25 40.36 2qed s ASN 214 CO 0.03 -0.52 2.24 -0.07 -2.79 0.00 0.00 177.10 175.98 2qed h LEU 215 N 8.54 0.00 0.00 3.21 3.38 -1.90 0.87 115.31 129.41 2qed h LEU 215 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2qed h LEU 215 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2qed h LEU 215 CO 0.77 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.79 2qed n PHE 216 N -3.98 0.00 0.21 1.13 3.72 -1.26 -1.42 117.46 115.86 2qed n PHE 216 Ca -0.03 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.46 2qed n PHE 216 Cb 0.08 -0.46 0.16 0.00 -0.94 0.00 0.00 39.48 38.32 2qed n PHE 216 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2qed n LEU 217 N -1.46 2.95 -0.53 4.37 4.77 0.27 -4.50 117.00 122.88 2qed n LEU 217 Ca 0.07 -1.51 0.06 0.00 -0.03 0.00 0.00 56.01 54.60 2qed n LEU 217 Cb 0.28 -0.18 0.19 0.00 -2.33 0.00 0.00 43.42 41.38 2qed n LEU 217 CO 0.23 0.65 0.47 0.54 -1.33 0.00 0.00 177.39 177.95 2qed n ARG 218 N 1.03 1.59 0.08 3.23 1.74 -0.51 -4.76 116.66 119.06 2qed n ARG 218 Ca 0.14 -3.08 0.14 0.00 -0.77 0.00 0.00 57.85 54.29 2qed n ARG 218 Cb 0.48 -1.62 0.64 0.00 -1.02 0.00 0.00 32.46 30.94 2qed n ARG 218 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2qed h THR 219 N 0.76 0.87 -0.11 0.55 2.02 -1.78 0.19 112.91 115.40 2qed h THR 219 Ca 0.03 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2qed h THR 219 Cb 1.09 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 2qed h THR 219 CO 0.05 0.01 0.00 -0.62 0.37 0.00 0.00 175.52 175.34 2qed n GLU 220 N -4.45 2.11 -2.36 6.66 1.02 -1.26 -4.68 120.64 117.68 2qed n GLU 220 Ca 0.05 -1.64 -0.42 0.00 -0.02 0.00 0.00 57.16 55.13 2qed n GLU 220 Cb 0.37 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.29 2qed n GLU 220 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2qed s ASP 221 N -1.85 7.01 0.25 1.62 1.11 0.05 -4.93 116.67 119.94 2qed s ASP 221 Ca 0.33 2.09 -0.05 0.00 0.18 0.00 0.00 52.55 55.11 2qed s ASP 221 Cb 0.20 -2.58 0.35 0.00 1.07 0.00 0.00 42.92 41.96 2qed s ASP 221 CO 0.31 -0.52 1.86 -0.29 1.18 0.00 0.00 175.17 177.71 2qed h ILE 222 N 4.45 1.07 -0.71 0.77 2.10 -1.92 0.71 117.51 123.97 2qed h ILE 222 Ca -0.42 -0.36 -0.06 0.00 1.08 0.00 0.00 64.86 65.11 2qed h ILE 222 Cb 1.21 -0.07 -0.03 0.00 -1.09 0.00 0.00 36.82 36.84 2qed h ILE 222 CO 0.83 0.19 0.22 -2.24 -1.08 0.00 0.00 178.15 176.06 2qed h ASP 223 N 1.05 1.04 -0.25 2.19 3.04 -1.94 0.28 116.42 121.83 2qed h ASP 223 Ca 0.39 -0.21 -0.10 0.00 -3.24 0.00 0.00 57.03 53.87 2qed h ASP 223 Cb 0.15 -0.27 -0.00 0.00 -1.04 0.00 0.00 39.33 38.16 2qed h ASP 223 CO -0.17 0.98 -0.22 0.25 -2.04 0.00 0.00 179.24 178.04 2qed h LEU 224 N 1.05 0.63 -0.50 0.15 5.85 -1.70 -1.99 115.31 118.80 2qed h LEU 224 Ca 0.23 -0.46 0.01 0.00 0.84 0.00 0.00 57.88 58.50 2qed h LEU 224 Cb 0.31 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2qed h LEU 224 CO -0.01 0.96 0.32 0.40 -0.34 0.00 0.00 178.44 179.77 2qed h ILE 225 N 0.31 1.09 -0.88 4.05 2.04 -0.59 -0.49 117.51 123.03 2qed h ILE 225 Ca 0.04 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.71 2qed h ILE 225 Cb 0.77 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 2qed h ILE 225 CO 0.06 0.12 0.58 0.78 0.00 0.00 0.00 178.15 179.68 2qed h ASN 226 N 0.64 0.97 -0.15 1.72 2.35 -0.35 0.18 115.58 120.94 2qed h ASN 226 Ca 0.19 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.89 2qed h ASN 226 Cb -0.03 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.10 2qed h ASN 226 CO -0.07 0.68 -0.05 -0.33 -1.65 0.00 0.00 177.43 176.02 2qed h GLU 227 N 1.14 0.30 -0.89 0.81 4.39 -0.65 -2.81 114.58 116.87 2qed h GLU 227 Ca 0.34 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.90 2qed h GLU 227 Cb -0.04 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.55 2qed h GLU 227 CO -0.09 0.60 0.47 0.82 -1.16 0.00 0.00 179.01 179.65 2qed h ILE 228 N -0.01 1.26 -0.01 3.13 2.04 -0.71 -1.17 117.51 122.05 2qed h ILE 228 Ca 0.04 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.22 2qed h ILE 228 Cb 0.50 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 2qed h ILE 228 CO 0.02 0.30 0.15 0.78 0.00 0.00 0.00 178.15 179.39 2qed h ASN 229 N 1.25 0.00 0.69 1.72 2.35 -0.53 0.35 115.58 121.41 2qed h ASN 229 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 2qed h ASN 229 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 2qed h ASN 229 CO -0.05 0.00 0.00 0.11 -1.65 0.00 0.00 177.43 175.84 2qed h LYS 230 N 0.00 0.00 0.00 0.81 1.57 -0.95 -3.34 116.57 114.66 2qed h LYS 230 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qed h LYS 230 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2qed h LYS 230 CO -0.00 0.00 -0.56 -1.91 -0.57 0.00 0.00 179.45 176.41 2qed n GLU 231 N -2.34 1.93 -3.64 3.15 2.13 -0.04 -5.09 120.64 116.74 2qed n GLU 231 Ca 0.02 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.69 2qed n GLU 231 Cb 0.22 -0.78 -0.08 0.00 0.27 0.00 0.00 31.44 31.07 2qed n GLU 231 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 2qed s THR 232 N -1.56 0.01 -0.44 6.31 -1.32 -0.33 -5.12 115.64 113.19 2qed s THR 232 Ca 0.00 -0.07 -0.15 0.00 -1.21 0.00 0.00 61.69 60.27 2qed s THR 232 Cb 0.00 -0.85 0.05 0.00 -1.51 0.00 0.00 72.50 70.20 2qed s THR 232 CO 0.00 -0.04 0.35 -0.63 -2.21 0.00 0.00 174.62 172.09 2qed s ILE 233 N -0.36 5.14 -0.28 5.08 -1.09 -1.26 -3.54 121.20 124.89 2qed s ILE 233 Ca -0.05 -0.95 0.01 0.00 -2.23 0.00 0.00 60.65 57.43 2qed s ILE 233 Cb -0.03 -4.00 0.08 0.00 -1.58 0.00 0.00 42.46 36.93 2qed s ILE 233 CO 0.04 -0.47 0.00 -0.76 -1.23 0.00 0.00 174.94 172.53 2qed s LEU 234 N 1.63 3.01 0.12 2.97 1.43 -1.26 -5.00 118.68 121.58 2qed s LEU 234 Ca 0.04 -1.51 -0.17 0.00 -1.03 0.00 0.00 54.13 51.47 2qed s LEU 234 Cb -0.22 -1.21 -0.03 0.00 0.03 0.00 0.00 46.19 44.76 2qed s LEU 234 CO 0.07 -0.31 1.65 -0.61 0.23 0.00 0.00 176.35 177.38 2qed h GLN 235 N 7.90 0.54 -6.53 1.70 4.15 -2.00 -3.44 115.11 117.44 2qed h GLN 235 Ca -0.14 -0.11 -0.53 0.00 0.77 0.00 0.00 58.65 58.64 2qed h GLN 235 Cb 1.05 -0.08 0.02 0.00 0.21 0.00 0.00 27.48 28.67 2qed h GLN 235 CO 0.45 0.55 0.67 -0.65 -1.93 0.00 0.00 178.83 177.92 2qed s GLN 236 N -5.45 4.36 0.33 1.69 -0.21 -1.26 -4.93 119.66 114.19 2qed s GLN 236 Ca -0.13 1.98 0.03 0.00 0.02 0.00 0.00 55.36 57.25 2qed s GLN 236 Cb 0.09 -3.28 0.58 0.00 1.00 0.00 0.00 33.01 31.41 2qed s GLN 236 CO 0.75 -0.38 1.91 -1.35 -2.12 0.00 0.00 175.29 174.10 2qed h PRO 237 N 6.79 0.68 -0.38 2.91 0.11 -1.94 -1.01 132.00 139.16 2qed h PRO 237 Ca -0.42 -0.11 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 2qed h PRO 237 Cb 1.21 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2qed h PRO 237 CO 0.85 0.59 0.03 0.93 -0.21 0.00 0.00 178.00 180.18 2qed h GLU 238 N 0.67 0.58 -0.40 1.05 5.08 -1.94 0.83 114.58 120.45 2qed h GLU 238 Ca 0.16 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 58.28 2qed h GLU 238 Cb 0.18 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2qed h GLU 238 CO -0.01 0.59 -0.22 0.00 -1.00 0.00 0.00 179.01 178.37 2qed h ALA 239 N 1.47 0.57 -0.14 3.43 0.00 -1.58 0.30 119.26 123.32 2qed h ALA 239 Ca 0.12 -0.38 -0.20 0.00 0.00 0.00 0.00 54.91 54.45 2qed h ALA 239 Cb 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2qed h ALA 239 CO 0.01 0.54 -0.72 0.00 0.00 0.00 0.00 179.25 179.08 2qed h ARG 240 N 0.67 0.63 -0.48 0.00 3.08 -1.18 0.14 114.38 117.25 2qed h ARG 240 Ca 0.09 -0.49 0.00 0.00 0.07 0.00 0.00 59.98 59.65 2qed h ARG 240 Cb 0.78 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 2qed h ARG 240 CO 0.06 1.11 0.30 0.35 -1.07 0.00 0.00 179.97 180.73 2qed h PHE 241 N 0.44 0.62 -0.91 3.04 3.57 -0.76 0.08 116.94 123.01 2qed h PHE 241 Ca -0.03 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.50 2qed h PHE 241 Cb 1.32 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.80 2qed h PHE 241 CO 0.06 0.41 0.59 0.00 -2.23 0.00 0.00 178.31 177.15 2qed h ALA 242 N 1.16 1.19 -0.07 2.41 0.00 -0.14 0.23 119.26 124.03 2qed h ALA 242 Ca 0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2qed h ALA 242 Cb -0.04 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 2qed h ALA 242 CO -0.04 0.48 0.04 2.35 0.00 0.00 0.00 179.25 182.08 2qed h TRP 243 N 1.17 0.10 -0.79 0.00 7.01 -0.16 0.19 115.95 123.47 2qed h TRP 243 Ca 0.35 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.31 2qed h TRP 243 Cb -0.04 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 26.95 2qed h TRP 243 CO -0.01 0.14 0.33 1.25 -2.79 0.00 0.00 178.44 177.36 2qed h LEU 244 N 0.03 1.09 -0.68 0.65 5.85 -0.51 0.19 115.31 121.93 2qed h LEU 244 Ca 0.03 -0.17 -0.09 0.00 0.84 0.00 0.00 57.88 58.49 2qed h LEU 244 Cb 0.07 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 2qed h LEU 244 CO -0.00 0.96 0.01 -0.09 -0.34 0.00 0.00 178.44 178.97 2qed h ARG 245 N 1.15 1.03 -0.59 1.25 9.65 -0.25 0.51 114.38 127.12 2qed h ARG 245 Ca 0.27 -0.32 -0.05 0.00 -1.10 0.00 0.00 59.98 58.79 2qed h ARG 245 Cb 0.20 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.66 2qed h ARG 245 CO -0.02 1.00 0.19 1.03 2.80 0.00 0.00 179.97 184.98 2qed h SER 246 N 0.95 0.86 -0.87 -3.80 0.87 -0.04 0.42 113.55 111.93 2qed h SER 246 Ca 0.17 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2qed h SER 246 Cb 0.53 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.23 2qed h SER 246 CO 0.03 0.83 0.55 0.11 -0.53 0.00 0.00 176.83 177.81 2qed h LYS 247 N 0.84 1.16 -0.30 2.24 1.79 -0.59 -2.28 116.57 119.43 2qed h LYS 247 Ca 0.19 -0.09 -0.11 0.00 -2.18 0.00 0.00 60.65 58.46 2qed h LYS 247 Cb 0.27 -0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 2qed h LYS 247 CO -0.01 0.80 -0.28 -0.22 -1.08 0.00 0.00 179.45 178.66 2qed h LYS 248 N 1.19 0.62 -0.94 3.15 1.63 -0.41 -1.76 116.57 120.04 2qed h LYS 248 Ca 0.31 -0.26 0.16 0.00 -0.85 0.00 0.00 60.65 60.02 2qed h LYS 248 Cb -0.09 -0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 31.44 2qed h LYS 248 CO -0.06 0.83 0.60 -0.44 -3.45 0.00 0.00 179.45 176.93 2qed h ASP 249 N 0.53 0.69 -0.01 4.20 3.32 -0.33 -2.63 116.42 122.19 2qed h ASP 249 Ca 0.07 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2qed h ASP 249 Cb 0.76 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.23 2qed h ASP 249 CO 0.06 0.32 -0.14 0.35 -1.72 0.00 0.00 179.24 178.11 2qed n THR 250 N -4.61 0.00 0.26 0.35 -2.24 -1.08 -5.11 114.28 101.85 2qed n THR 250 Ca 0.19 -0.43 0.02 0.00 -2.27 0.00 0.00 64.05 61.57 2qed n THR 250 Cb 0.51 1.23 0.12 0.00 -2.10 0.00 0.00 70.33 70.10 2qed n THR 250 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83