#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oty s THR 2 N 0.00 2.26 0.57 0.00 -4.23 0.24 -4.96 115.64 109.52 1oty s THR 2 Ca 0.00 -1.58 0.30 0.00 -1.18 0.00 0.00 61.69 59.23 1oty s THR 2 Cb 0.00 -2.84 0.43 0.00 1.34 0.00 0.00 72.50 71.43 1oty s THR 2 CO 0.00 0.00 1.84 -0.65 -0.54 0.00 0.00 174.62 175.27 1oty h PRO 3 N 1.21 0.00 0.00 3.99 0.11 -2.01 -2.71 132.00 132.59 1oty h PRO 3 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1oty h PRO 3 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1oty h PRO 3 CO 0.65 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.16 1oty n HIS 4 N -3.86 0.00 -3.75 0.65 8.25 -1.26 -4.98 115.22 110.27 1oty n HIS 4 Ca 0.14 -0.09 -0.29 0.00 -0.26 0.00 0.00 57.72 57.22 1oty n HIS 4 Cb 0.88 -0.01 -0.15 0.00 1.12 0.00 0.00 29.99 31.82 1oty n HIS 4 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1oty s ILE 5 N -0.18 0.81 -1.26 1.59 -1.09 -1.02 -4.71 121.20 115.34 1oty s ILE 5 Ca 0.00 -1.13 -0.14 0.00 -2.23 0.00 0.00 60.65 57.15 1oty s ILE 5 Cb 0.00 -1.48 0.14 0.00 -1.58 0.00 0.00 42.46 39.54 1oty s ILE 5 CO 0.00 -0.50 1.63 -3.20 -1.23 0.00 0.00 174.94 171.64 1oty n ASN 6 N 4.90 5.06 -3.90 3.58 5.15 -1.26 -0.59 115.26 128.20 1oty n ASN 6 Ca -0.05 -2.98 -0.09 0.00 -0.60 0.00 0.00 54.58 50.86 1oty n ASN 6 Cb 0.44 -1.59 -0.04 0.00 -0.53 0.00 0.00 39.78 38.05 1oty n ASN 6 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1oty s ALA 7 N 1.97 -0.47 0.26 5.20 0.00 -1.26 -4.63 121.76 122.83 1oty s ALA 7 Ca 0.45 -0.76 0.11 0.00 0.00 0.00 0.00 51.96 51.76 1oty s ALA 7 Cb 0.02 1.01 -0.05 0.00 0.00 0.00 0.00 23.12 24.10 1oty s ALA 7 CO 0.01 -0.90 -0.15 -1.21 0.00 0.00 0.00 175.76 173.51 1oty s GLU 8 N -3.90 1.83 0.10 0.00 0.41 -1.26 -1.25 118.70 114.63 1oty s GLU 8 Ca 0.20 -1.64 -0.36 0.00 -0.41 0.00 0.00 54.97 52.76 1oty s GLU 8 Cb -0.02 -1.89 -0.16 0.00 -1.78 0.00 0.00 34.13 30.28 1oty s GLU 8 CO 0.09 0.35 1.39 -0.12 -0.49 0.00 0.00 175.26 176.48 1oty n MET 9 N -0.56 1.33 0.00 1.61 0.00 -1.26 -0.88 117.12 117.36 1oty n MET 9 Ca -0.06 0.48 0.00 0.00 -0.00 0.00 0.00 57.70 58.12 1oty n MET 9 Cb 0.59 -2.15 0.00 0.00 0.00 0.00 0.00 33.22 31.66 1oty n MET 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1oty n GLY 10 N 2.71 2.56 0.22 -5.12 0.00 -1.26 -4.91 105.19 99.39 1oty n GLY 10 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 1oty n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1oty h ASP 11 N 0.37 0.00 -2.45 1.61 3.32 -1.38 -3.42 116.42 114.47 1oty h ASP 11 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 1oty h ASP 11 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1oty h ASP 11 CO 0.00 0.21 -0.49 -0.36 -1.72 0.00 0.00 179.24 176.88 1oty s PHE 12 N -4.57 3.35 0.68 4.55 0.40 -1.26 -4.68 117.98 116.45 1oty s PHE 12 Ca -0.04 0.02 -0.06 0.00 -0.60 0.00 0.00 56.93 56.26 1oty s PHE 12 Cb 0.16 -1.57 0.05 0.00 0.51 0.00 0.00 43.02 42.16 1oty s PHE 12 CO 0.70 0.50 0.99 0.00 0.70 0.00 0.00 175.22 178.11 1oty s ALA 13 N -1.85 3.22 -1.78 5.36 0.00 -1.26 -4.95 121.76 120.49 1oty s ALA 13 Ca 0.33 -0.92 0.22 0.00 0.00 0.00 0.00 51.96 51.58 1oty s ALA 13 Cb -0.10 -2.57 1.21 0.00 0.00 0.00 0.00 23.12 21.66 1oty s ALA 13 CO 0.27 -1.22 1.68 -0.40 0.00 0.00 0.00 175.76 176.09 1oty n ASP 14 N -2.85 0.00 -3.92 0.00 5.68 -1.26 -4.57 116.55 109.62 1oty n ASP 14 Ca 0.08 -0.43 -0.24 0.00 -0.50 0.00 0.00 54.79 53.70 1oty n ASP 14 Cb 0.60 -0.11 -0.17 0.00 -1.14 0.00 0.00 41.12 40.30 1oty n ASP 14 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1oty s VAL 15 N -2.22 0.88 -0.12 2.12 1.01 -1.26 -0.68 120.40 120.12 1oty s VAL 15 Ca 0.28 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.02 1oty s VAL 15 Cb 0.15 -0.88 0.01 0.00 0.00 0.00 0.00 36.38 35.66 1oty s VAL 15 CO 0.28 0.32 -0.19 -0.69 0.00 0.00 0.00 175.10 174.82 1oty s VAL 16 N 1.23 1.81 -0.03 2.92 1.01 0.40 -1.81 120.40 125.92 1oty s VAL 16 Ca -0.05 -0.83 -0.18 0.00 0.00 0.00 0.00 61.98 60.92 1oty s VAL 16 Cb -0.14 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 1oty s VAL 16 CO -0.02 0.50 0.51 -0.76 0.00 0.00 0.00 175.10 175.33 1oty s LEU 17 N 0.87 4.40 -0.20 3.92 1.02 0.14 -0.74 118.68 128.08 1oty s LEU 17 Ca -0.07 1.01 -0.02 0.00 0.02 0.00 0.00 54.13 55.07 1oty s LEU 17 Cb -0.15 -2.76 0.06 0.00 0.02 0.00 0.00 46.19 43.35 1oty s LEU 17 CO -0.01 0.14 0.01 -0.04 0.02 0.00 0.00 176.35 176.47 1oty s MET 18 N -0.24 0.97 0.50 1.70 -1.94 0.72 -1.45 119.30 119.56 1oty s MET 18 Ca 0.27 -0.58 -0.02 0.00 -1.71 0.00 0.00 55.69 53.65 1oty s MET 18 Cb -0.17 -2.23 0.00 0.00 2.01 0.00 0.00 34.83 34.45 1oty s MET 18 CO 0.14 -0.61 0.76 -1.25 -0.01 0.00 0.00 175.02 174.04 1oty s PRO 19 N 1.72 2.98 -0.01 2.03 0.04 -1.24 -1.25 135.00 139.27 1oty s PRO 19 Ca -0.02 -0.34 -0.23 0.00 0.04 0.00 0.00 61.00 60.46 1oty s PRO 19 Cb -0.17 -2.45 -0.13 0.00 0.04 0.00 0.00 34.50 31.79 1oty s PRO 19 CO -0.07 -0.45 0.93 0.78 0.04 0.00 0.00 177.00 178.24 1oty h GLY 20 N 0.18 -0.84 -4.57 0.56 0.00 -1.86 -0.96 103.07 95.57 1oty h GLY 20 Ca -0.46 0.31 -0.55 0.00 0.00 0.00 0.00 47.33 46.64 1oty h GLY 20 CO 0.58 -0.31 0.52 -0.35 0.00 0.00 0.00 176.54 176.98 1oty s ASP 21 N -4.63 7.22 0.50 0.19 2.15 -1.26 -2.61 116.67 118.24 1oty s ASP 21 Ca -0.12 1.73 0.15 0.00 0.43 0.00 0.00 52.55 54.74 1oty s ASP 21 Cb 0.01 -2.57 1.21 0.00 -0.30 0.00 0.00 42.92 41.28 1oty s ASP 21 CO 0.36 -0.41 2.12 -0.65 -0.17 0.00 0.00 175.17 176.42 1oty h PRO 22 N 6.99 0.09 -0.68 4.34 0.11 -1.88 -1.92 132.00 139.05 1oty h PRO 22 Ca -0.37 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.74 1oty h PRO 22 Cb 1.19 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1oty h PRO 22 CO 0.81 0.06 0.45 -0.07 -0.21 0.00 0.00 178.00 179.04 1oty h LEU 23 N 0.09 0.77 -1.66 2.35 3.38 -1.92 -0.81 115.31 117.51 1oty h LEU 23 Ca 0.05 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1oty h LEU 23 Cb 0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1oty h LEU 23 CO -0.01 0.55 -0.20 0.03 0.09 0.00 0.00 178.44 178.91 1oty h ARG 24 N 0.91 0.00 -0.45 1.13 3.08 -1.75 -2.71 114.38 114.59 1oty h ARG 24 Ca 0.25 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 1oty h ARG 24 Cb -0.08 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1oty h ARG 24 CO -0.06 0.20 0.20 0.00 -1.07 0.00 0.00 179.97 179.24 1oty h ALA 25 N 1.80 0.58 -0.55 0.04 0.00 -1.20 0.05 119.26 119.99 1oty h ALA 25 Ca -0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1oty h ALA 25 Cb 0.39 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1oty h ALA 25 CO 0.03 0.16 0.02 -0.22 0.00 0.00 0.00 179.25 179.23 1oty h LYS 26 N 0.58 0.92 -0.38 0.00 3.64 -1.48 -1.92 116.57 117.92 1oty h LYS 26 Ca 0.15 -0.26 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1oty h LYS 26 Cb 0.15 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1oty h LYS 26 CO -0.02 0.90 0.17 -0.92 -2.27 0.00 0.00 179.45 177.31 1oty h TYR 27 N 0.85 0.56 -0.47 1.91 5.03 -1.20 -2.20 116.97 121.45 1oty h TYR 27 Ca 0.16 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.44 1oty h TYR 27 Cb 0.47 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.56 1oty h TYR 27 CO 0.03 0.48 0.30 0.82 -1.32 0.00 0.00 178.16 178.48 1oty h ILE 28 N 0.47 1.13 -0.82 1.81 1.08 -0.75 -0.64 117.51 119.78 1oty h ILE 28 Ca 0.13 -0.25 -0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1oty h ILE 28 Cb 0.15 0.46 -0.04 0.00 -3.07 0.00 0.00 36.82 34.32 1oty h ILE 28 CO -0.01 0.13 0.51 0.00 -0.69 0.00 0.00 178.15 178.08 1oty h ALA 29 N 1.16 1.05 0.00 1.87 0.00 -1.19 0.08 119.26 122.24 1oty h ALA 29 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1oty h ALA 29 Cb -0.05 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.40 1oty h ALA 29 CO -0.04 0.50 -0.48 -0.85 0.00 0.00 0.00 179.25 178.39 1oty n GLU 30 N -4.46 0.06 -0.10 0.00 0.28 -0.84 -2.80 120.64 112.78 1oty n GLU 30 Ca 0.08 0.02 -0.10 0.00 -0.16 0.00 0.00 57.16 57.00 1oty n GLU 30 Cb 0.05 -1.54 -0.15 0.00 1.43 0.00 0.00 31.44 31.23 1oty n GLU 30 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1oty n THR 31 N -1.63 1.31 0.00 3.84 -1.04 -0.26 -4.78 114.28 111.72 1oty n THR 31 Ca 0.05 -0.79 0.00 0.00 -2.04 0.00 0.00 64.05 61.27 1oty n THR 31 Cb 0.36 -0.54 0.00 0.00 -1.82 0.00 0.00 70.33 68.33 1oty n THR 31 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1oty n PHE 32 N -2.73 0.00 -4.04 -1.42 3.01 -0.00 -5.06 117.46 107.22 1oty n PHE 32 Ca -0.32 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 57.86 1oty n PHE 32 Cb 1.11 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.53 1oty n PHE 32 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1oty s LEU 33 N -2.20 3.93 0.14 4.37 1.43 -1.12 -4.64 118.68 120.59 1oty s LEU 33 Ca 0.00 -0.01 0.08 0.00 -1.03 0.00 0.00 54.13 53.17 1oty s LEU 33 Cb 0.00 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 1oty s LEU 33 CO 0.00 0.11 -0.10 -1.61 0.23 0.00 0.00 176.35 174.99 1oty s GLU 34 N -2.81 2.10 -1.46 1.70 2.02 0.89 -4.63 118.70 116.51 1oty s GLU 34 Ca 0.31 -1.14 -0.10 0.00 0.02 0.00 0.00 54.97 54.07 1oty s GLU 34 Cb -0.11 -2.24 0.05 0.00 0.10 0.00 0.00 34.13 31.93 1oty s GLU 34 CO 0.24 0.47 0.81 -0.25 0.02 0.00 0.00 175.26 176.56 1oty n ASP 35 N 0.38 -5.20 -4.77 -0.19 10.43 -1.26 -1.66 116.55 114.28 1oty n ASP 35 Ca -0.12 -0.53 -0.40 0.00 2.57 0.00 0.00 54.79 56.31 1oty n ASP 35 Cb 0.54 -4.18 -0.02 0.00 1.84 0.00 0.00 41.12 39.30 1oty n ASP 35 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1oty s ALA 36 N -3.19 3.35 -0.04 2.24 0.00 -1.26 -4.61 121.76 118.25 1oty s ALA 36 Ca 0.50 1.14 0.01 0.00 0.00 0.00 0.00 51.96 53.62 1oty s ALA 36 Cb -0.24 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.45 1oty s ALA 36 CO 0.62 -0.60 -0.06 -0.98 0.00 0.00 0.00 175.76 174.74 1oty s ARG 37 N -1.97 0.95 0.37 0.00 1.70 -0.14 -4.98 118.95 114.89 1oty s ARG 37 Ca 0.52 -0.18 -0.28 0.00 -0.47 0.00 0.00 55.73 55.33 1oty s ARG 37 Cb -0.36 -0.90 -0.10 0.00 -0.57 0.00 0.00 34.95 33.02 1oty s ARG 37 CO 0.47 -0.03 1.36 -2.00 -1.08 0.00 0.00 175.30 174.02 1oty s GLU 38 N 0.73 4.14 0.00 3.89 2.12 -1.26 -2.40 118.70 125.92 1oty s GLU 38 Ca -0.11 2.31 0.00 0.00 0.36 0.00 0.00 54.97 57.53 1oty s GLU 38 Cb -0.13 -2.93 0.00 0.00 0.26 0.00 0.00 34.13 31.33 1oty s GLU 38 CO 0.01 -0.40 0.03 1.33 -0.54 0.00 0.00 175.26 175.68 1oty n VAL 39 N 0.46 0.00 -3.63 3.70 0.24 0.01 -4.93 118.33 114.18 1oty n VAL 39 Ca 0.02 -0.29 -0.11 0.00 -2.04 0.00 0.00 64.34 61.92 1oty n VAL 39 Cb 0.42 1.04 -0.07 0.00 -1.47 0.00 0.00 33.84 33.76 1oty n VAL 39 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1oty s ASN 40 N -0.52 -0.72 0.00 -1.34 3.84 -1.21 -4.32 114.94 110.67 1oty s ASN 40 Ca 0.00 1.31 0.00 0.00 0.21 0.00 0.00 52.86 54.38 1oty s ASN 40 Cb 0.00 1.32 0.00 0.00 -0.55 0.00 0.00 41.25 42.02 1oty s ASN 40 CO 0.00 -0.22 0.00 -0.46 -2.79 0.00 0.00 177.10 173.63 1oty n ASN 41 N 3.03 0.60 -4.62 -4.21 0.23 -1.26 -0.55 115.26 108.48 1oty n ASN 41 Ca -0.15 -0.24 -0.59 0.00 -0.53 0.00 0.00 54.58 53.08 1oty n ASN 41 Cb 0.56 0.59 -0.08 0.00 -2.08 0.00 0.00 39.78 38.78 1oty n ASN 41 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1oty n VAL 42 N -0.65 0.06 -1.11 3.53 0.31 -1.26 -0.34 118.33 118.88 1oty n VAL 42 Ca 0.00 -0.01 -0.04 0.00 -0.01 0.00 0.00 64.34 64.28 1oty n VAL 42 Cb 0.00 -0.59 -0.02 0.00 -0.91 0.00 0.00 33.84 32.32 1oty n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1oty n ARG 43 N 3.12 -1.61 -0.97 5.55 1.74 -1.26 -1.88 116.66 121.34 1oty n ARG 43 Ca 0.23 0.57 0.00 0.00 -0.77 0.00 0.00 57.85 57.88 1oty n ARG 43 Cb 0.09 -4.84 0.00 0.00 -1.02 0.00 0.00 32.46 26.69 1oty n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1oty n GLY 44 N 0.16 0.51 3.43 -0.13 0.00 0.54 -4.96 105.19 104.75 1oty n GLY 44 Ca -0.04 -0.02 -0.44 0.00 0.00 0.00 0.00 46.02 45.52 1oty n GLY 44 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1oty s MET 45 N -0.06 3.80 0.29 1.61 0.00 -0.79 -4.83 119.30 119.32 1oty s MET 45 Ca 0.00 -2.22 -0.30 0.00 0.00 0.00 0.00 55.69 53.17 1oty s MET 45 Cb 0.00 -4.88 -0.11 0.00 0.00 0.00 0.00 34.83 29.84 1oty s MET 45 CO 0.00 -1.67 1.51 -0.51 0.00 0.00 0.00 175.02 174.35 1oty s LEU 46 N 1.73 4.36 0.02 4.11 1.43 -1.26 -4.25 118.68 124.82 1oty s LEU 46 Ca 0.34 2.85 0.08 0.00 -1.03 0.00 0.00 54.13 56.36 1oty s LEU 46 Cb -0.05 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.51 1oty s LEU 46 CO -0.06 -0.82 -0.23 -0.83 0.23 0.00 0.00 176.35 174.64 1oty s GLY 47 N 0.34 1.18 -0.02 -3.19 0.00 0.29 -3.59 107.32 102.32 1oty s GLY 47 Ca 0.60 -1.07 -0.07 0.00 0.00 0.00 0.00 44.72 44.19 1oty s GLY 47 CO 0.48 -0.95 0.15 -1.36 0.00 0.00 0.00 173.10 171.42 1oty s PHE 48 N -0.68 -0.05 0.05 1.90 0.08 0.66 -0.81 117.98 119.13 1oty s PHE 48 Ca 0.09 0.11 0.06 0.00 0.12 0.00 0.00 56.93 57.30 1oty s PHE 48 Cb -0.09 -0.00 -0.03 0.00 -0.57 0.00 0.00 43.02 42.33 1oty s PHE 48 CO 0.01 -0.20 -0.16 0.99 -0.10 0.00 0.00 175.22 175.75 1oty s THR 49 N -0.77 1.31 0.00 0.64 2.01 -1.01 -0.00 115.64 117.82 1oty s THR 49 Ca -0.09 -1.16 0.00 0.00 0.31 0.00 0.00 61.69 60.75 1oty s THR 49 Cb -0.05 -1.19 0.00 0.00 0.01 0.00 0.00 72.50 71.28 1oty s THR 49 CO 0.01 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.55 1oty n GLY 50 N 1.68 1.03 3.16 4.40 0.00 -0.10 -0.97 105.19 114.39 1oty n GLY 50 Ca -0.19 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.26 1oty n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1oty s THR 51 N -1.55 0.84 -0.21 2.61 -4.23 -0.66 -0.43 115.64 112.00 1oty s THR 51 Ca 0.00 -1.60 -0.02 0.00 -1.18 0.00 0.00 61.69 58.88 1oty s THR 51 Cb 0.00 -1.30 0.07 0.00 1.34 0.00 0.00 72.50 72.61 1oty s THR 51 CO 0.00 -0.58 0.04 -0.47 -0.54 0.00 0.00 174.62 173.07 1oty s TYR 52 N -2.47 1.14 -1.40 3.99 6.14 -0.12 -0.08 117.35 124.55 1oty s TYR 52 Ca 0.04 -1.01 -0.06 0.00 0.64 0.00 0.00 57.07 56.69 1oty s TYR 52 Cb -0.03 -1.13 0.04 0.00 0.42 0.00 0.00 41.96 41.26 1oty s TYR 52 CO -0.01 -0.66 0.83 1.63 0.64 0.00 0.00 175.55 177.99 1oty n LYS 53 N 5.02 -5.28 0.00 4.97 5.02 -1.26 -1.56 118.16 125.06 1oty n LYS 53 Ca -0.08 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 1oty n LYS 53 Cb 0.46 -5.33 0.00 0.00 -0.02 0.00 0.00 35.03 30.14 1oty n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oty n GLY 54 N -1.64 2.73 3.70 0.72 0.00 -1.26 -5.01 105.19 104.43 1oty n GLY 54 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1oty n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1oty s ARG 55 N -0.18 4.40 0.12 1.61 3.00 -0.60 -5.00 118.95 122.29 1oty s ARG 55 Ca 0.00 0.99 -0.30 0.00 -1.00 0.00 0.00 55.73 55.42 1oty s ARG 55 Cb 0.00 -3.50 -0.07 0.00 0.00 0.00 0.00 34.95 31.38 1oty s ARG 55 CO 0.00 -0.10 1.19 0.21 0.00 0.00 0.00 175.30 176.60 1oty s LYS 56 N 1.34 4.48 -0.04 5.12 2.20 -1.26 -0.95 119.74 130.62 1oty s LYS 56 Ca 0.39 1.80 -0.13 0.00 -0.36 0.00 0.00 55.97 57.67 1oty s LYS 56 Cb -0.18 -3.30 0.02 0.00 -1.51 0.00 0.00 37.83 32.87 1oty s LYS 56 CO 0.17 -0.15 0.30 0.42 -0.36 0.00 0.00 175.35 175.73 1oty s ILE 57 N 0.49 0.04 0.20 5.43 1.01 0.42 -4.69 121.20 124.12 1oty s ILE 57 Ca 0.55 -0.36 0.11 0.00 0.00 0.00 0.00 60.65 60.96 1oty s ILE 57 Cb -0.31 -0.55 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 1oty s ILE 57 CO 0.32 -0.20 -0.22 -0.44 0.00 0.00 0.00 174.94 174.40 1oty s SER 58 N -0.90 3.35 -0.02 3.58 0.01 -0.75 -0.92 113.70 118.04 1oty s SER 58 Ca -0.10 -0.90 -0.04 0.00 1.31 0.00 0.00 55.95 56.23 1oty s SER 58 Cb -0.05 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.94 1oty s SER 58 CO 0.03 0.08 0.09 0.54 0.41 0.00 0.00 173.24 174.39 1oty s VAL 59 N -1.88 0.03 -0.29 3.43 0.11 0.99 0.24 120.40 123.04 1oty s VAL 59 Ca 0.22 -0.23 -0.24 0.00 -2.93 0.00 0.00 61.98 58.79 1oty s VAL 59 Cb -0.07 -0.20 0.14 0.00 -1.53 0.00 0.00 36.38 34.72 1oty s VAL 59 CO 0.10 -0.13 1.14 -0.32 -3.33 0.00 0.00 175.10 172.57 1oty s MET 60 N -0.38 0.38 0.50 1.54 0.00 -0.53 -0.25 119.30 120.57 1oty s MET 60 Ca -0.04 0.46 -0.22 0.00 0.00 0.00 0.00 55.69 55.88 1oty s MET 60 Cb -0.03 0.18 -0.06 0.00 0.00 0.00 0.00 34.83 34.92 1oty s MET 60 CO 0.00 -0.05 1.23 0.20 0.00 0.00 0.00 175.02 176.40 1oty s GLY 61 N 0.24 2.80 0.00 2.11 0.00 -1.24 -3.63 107.32 107.61 1oty s GLY 61 Ca 0.04 1.06 0.13 0.00 0.00 0.00 0.00 44.72 45.95 1oty s GLY 61 CO -0.09 1.52 0.95 -2.39 0.00 0.00 0.00 173.10 173.09 1oty n HIS 62 N -0.81 0.04 -2.51 1.90 1.44 -0.37 -4.90 115.22 110.02 1oty n HIS 62 Ca 0.09 -0.04 0.01 0.00 -2.01 0.00 0.00 57.72 55.77 1oty n HIS 62 Cb 0.47 -0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.58 1oty n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1oty n GLY 63 N 0.75 -2.10 3.62 -1.39 0.00 -1.07 -2.80 105.19 102.20 1oty n GLY 63 Ca 0.08 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 1oty n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1oty s MET 64 N -0.44 3.21 0.00 1.61 1.00 -1.26 -4.75 119.30 118.67 1oty s MET 64 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 55.69 55.25 1oty s MET 64 Cb 0.00 -2.84 0.00 0.00 0.00 0.00 0.00 34.83 31.99 1oty s MET 64 CO 0.00 0.55 0.00 0.41 0.00 0.00 0.00 175.02 175.98 1oty n GLY 65 N 2.60 0.78 0.24 -0.03 0.00 -1.23 -4.37 105.19 103.17 1oty n GLY 65 Ca -0.18 -1.63 0.01 0.00 0.00 0.00 0.00 46.02 44.22 1oty n GLY 65 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1oty h ILE 66 N 0.00 0.72 -0.78 -0.61 2.04 -1.50 -2.53 117.51 114.85 1oty h ILE 66 Ca 0.00 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.76 1oty h ILE 66 Cb 0.00 0.31 -0.05 0.00 -0.74 0.00 0.00 36.82 36.34 1oty h ILE 66 CO 0.00 0.07 0.49 -0.65 0.00 0.00 0.00 178.15 178.06 1oty h PRO 67 N 0.38 0.93 0.73 2.37 0.11 -1.89 -0.60 132.00 134.03 1oty h PRO 67 Ca 0.33 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.35 1oty h PRO 67 Cb 0.44 -0.21 0.01 0.00 0.11 0.00 0.00 31.00 31.35 1oty h PRO 67 CO -0.35 0.62 -0.35 1.03 -0.21 0.00 0.00 178.00 178.74 1oty h SER 68 N 0.96 -0.83 0.40 -2.05 0.87 -1.66 -2.97 113.55 108.27 1oty h SER 68 Ca 0.31 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.85 1oty h SER 68 Cb 0.02 0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1oty h SER 68 CO -0.11 -0.49 -0.14 0.00 -0.53 0.00 0.00 176.83 175.55 1oty h SER 70 N 0.00 0.68 0.51 0.00 0.02 -1.08 0.47 113.55 114.15 1oty h SER 70 Ca -0.00 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 1oty h SER 70 Cb 0.38 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1oty h SER 70 CO 0.02 0.85 -0.24 0.40 -1.14 0.00 0.00 176.83 176.72 1oty h ILE 71 N 0.61 0.42 -0.06 3.27 2.04 -1.26 -2.04 117.51 120.50 1oty h ILE 71 Ca 0.10 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 1oty h ILE 71 Cb 0.62 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1oty h ILE 71 CO 0.04 0.05 0.03 1.88 0.00 0.00 0.00 178.15 180.15 1oty h TYR 72 N -0.91 0.08 -0.33 1.37 0.05 -1.46 -2.04 116.97 113.73 1oty h TYR 72 Ca -0.07 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.69 1oty h TYR 72 Cb 0.60 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.30 1oty h TYR 72 CO 0.00 0.14 0.11 1.79 -1.05 0.00 0.00 178.16 179.14 1oty h THR 73 N -0.00 1.14 -0.07 -2.88 1.35 -0.98 -1.38 112.91 110.09 1oty h THR 73 Ca 0.02 -0.46 -0.02 0.00 -0.55 0.00 0.00 66.41 65.40 1oty h THR 73 Cb 0.08 0.78 -0.00 0.00 -1.73 0.00 0.00 68.15 67.28 1oty h THR 73 CO -0.00 0.17 -0.03 0.50 -0.25 0.00 0.00 175.52 175.91 1oty h LYS 74 N 0.46 0.14 -0.65 4.72 3.11 -1.13 -2.19 116.57 121.02 1oty h LYS 74 Ca 0.11 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.90 1oty h LYS 74 Cb 0.13 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.33 1oty h LYS 74 CO -0.01 0.50 0.41 0.93 -2.81 0.00 0.00 179.45 178.47 1oty h GLU 75 N -0.22 0.88 -0.90 1.90 5.08 -1.10 -0.94 114.58 119.28 1oty h GLU 75 Ca 0.02 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1oty h GLU 75 Cb 0.45 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1oty h GLU 75 CO 0.01 0.61 0.58 -0.07 -1.00 0.00 0.00 179.01 179.14 1oty h LEU 76 N 0.89 1.04 -0.13 1.33 3.38 -1.24 0.19 115.31 120.77 1oty h LEU 76 Ca 0.24 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 1oty h LEU 76 Cb -0.05 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.43 1oty h LEU 76 CO -0.05 0.77 -0.06 0.40 0.09 0.00 0.00 178.44 179.59 1oty h ILE 77 N 1.22 1.31 0.00 1.22 1.08 -0.93 -1.83 117.51 119.58 1oty h ILE 77 Ca 0.33 -1.07 -0.03 0.00 -0.39 0.00 0.00 64.86 63.70 1oty h ILE 77 Cb -0.12 1.74 -0.01 0.00 -3.07 0.00 0.00 36.82 35.36 1oty h ILE 77 CO -0.07 0.31 -0.96 0.71 -0.69 0.00 0.00 178.15 177.45 1oty h THR 78 N -0.06 0.11 0.00 -0.27 1.35 -1.09 -3.34 112.91 109.60 1oty h THR 78 Ca 0.03 -1.21 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 1oty h THR 78 Cb 0.51 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1oty h THR 78 CO 0.02 0.06 -0.55 0.47 -0.25 0.00 0.00 175.52 175.27 1oty n ASP 79 N -2.77 1.69 -0.18 5.36 10.43 0.66 -4.70 116.55 127.03 1oty n ASP 79 Ca -0.01 -0.36 0.06 0.00 2.57 0.00 0.00 54.79 57.04 1oty n ASP 79 Cb 0.60 1.07 0.08 0.00 1.84 0.00 0.00 41.12 44.71 1oty n ASP 79 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1oty n PHE 80 N -1.29 0.00 -1.71 1.24 3.01 -1.02 -4.49 117.46 113.21 1oty n PHE 80 Ca 0.00 -0.61 -0.17 0.00 1.01 0.00 0.00 57.45 57.69 1oty n PHE 80 Cb 0.07 -0.10 -0.06 0.00 -0.01 0.00 0.00 39.48 39.38 1oty n PHE 80 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1oty n GLY 81 N -0.85 1.07 3.71 1.37 0.00 -1.16 -4.63 105.19 104.70 1oty n GLY 81 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1oty n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oty s VAL 82 N -2.50 2.92 -0.18 1.61 1.01 -0.72 -4.73 120.40 117.81 1oty s VAL 82 Ca 0.00 0.60 0.16 0.00 0.00 0.00 0.00 61.98 62.75 1oty s VAL 82 Cb 0.00 -3.39 -0.24 0.00 0.00 0.00 0.00 36.38 32.75 1oty s VAL 82 CO 0.00 0.03 0.14 0.29 0.00 0.00 0.00 175.10 175.57 1oty n LYS 83 N 4.35 0.68 -4.25 2.72 4.01 0.14 -4.43 118.16 121.38 1oty n LYS 83 Ca 0.14 0.04 -0.18 0.00 -0.51 0.00 0.00 58.31 57.79 1oty n LYS 83 Cb 0.40 -1.56 -0.15 0.00 -0.51 0.00 0.00 35.03 33.21 1oty n LYS 83 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1oty s LYS 84 N -2.51 0.71 -0.09 1.97 1.02 -0.45 -1.53 119.74 118.85 1oty s LYS 84 Ca -0.10 -0.22 0.03 0.00 0.02 0.00 0.00 55.97 55.70 1oty s LYS 84 Cb 0.06 -0.69 0.01 0.00 -0.52 0.00 0.00 37.83 36.69 1oty s LYS 84 CO 0.82 0.08 -0.18 0.42 -0.92 0.00 0.00 175.35 175.57 1oty s ILE 85 N 0.20 1.64 -0.26 2.17 -1.09 -0.61 -0.45 121.20 122.80 1oty s ILE 85 Ca -0.02 -0.76 0.02 0.00 -2.23 0.00 0.00 60.65 57.66 1oty s ILE 85 Cb -0.07 -1.45 0.07 0.00 -1.58 0.00 0.00 42.46 39.42 1oty s ILE 85 CO -0.00 0.47 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.48 1oty s ILE 86 N 0.61 1.89 -0.06 2.92 1.01 0.08 -1.59 121.20 126.06 1oty s ILE 86 Ca -0.14 -1.54 -0.26 0.00 0.00 0.00 0.00 60.65 58.71 1oty s ILE 86 Cb -0.16 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 1oty s ILE 86 CO 0.04 -0.14 0.80 -0.60 0.00 0.00 0.00 174.94 175.04 1oty s ARG 87 N 1.21 4.46 -0.16 2.79 3.52 -0.21 -0.20 118.95 130.36 1oty s ARG 87 Ca -0.05 1.06 0.00 0.00 -0.13 0.00 0.00 55.73 56.61 1oty s ARG 87 Cb -0.19 -3.46 0.02 0.00 -1.56 0.00 0.00 34.95 29.76 1oty s ARG 87 CO -0.06 -0.01 -0.15 0.14 -0.81 0.00 0.00 175.30 174.41 1oty s VAL 88 N 1.00 1.67 0.00 7.11 -7.23 -0.38 -0.35 120.40 122.22 1oty s VAL 88 Ca 0.42 -0.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.87 1oty s VAL 88 Cb -0.19 -1.56 0.00 0.00 0.56 0.00 0.00 36.38 35.19 1oty s VAL 88 CO 0.21 0.46 0.00 0.61 -0.31 0.00 0.00 175.10 176.06 1oty n GLY 89 N 4.74 2.55 3.69 2.32 0.00 -0.57 -3.94 105.19 113.98 1oty n GLY 89 Ca -0.18 -0.62 -0.24 0.00 0.00 0.00 0.00 46.02 44.98 1oty n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1oty s SER 90 N 2.00 4.39 0.14 1.61 1.04 -1.26 -0.77 113.70 120.85 1oty s SER 90 Ca 0.00 -0.97 -0.18 0.00 0.48 0.00 0.00 55.95 55.28 1oty s SER 90 Cb 0.00 -0.57 0.05 0.00 0.10 0.00 0.00 66.02 65.60 1oty s SER 90 CO 0.00 -0.36 0.47 0.00 0.98 0.00 0.00 173.24 174.33 1oty s GLY 92 N -2.79 2.19 0.16 0.00 0.00 -0.25 -0.53 107.32 106.10 1oty s GLY 92 Ca 0.03 -0.68 0.04 0.00 0.00 0.00 0.00 44.72 44.10 1oty s GLY 92 CO -0.12 -0.51 0.21 0.00 0.00 0.00 0.00 173.10 172.69 1oty s ALA 93 N -1.22 3.78 0.00 3.20 0.00 -0.91 0.72 121.76 127.32 1oty s ALA 93 Ca 0.23 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1oty s ALA 93 Cb -0.13 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.41 1oty s ALA 93 CO 0.14 0.52 0.00 1.33 0.00 0.00 0.00 175.76 177.74 1oty n VAL 94 N -0.47 0.00 -3.31 0.00 0.24 -1.26 -2.19 118.33 111.34 1oty n VAL 94 Ca -0.08 -0.32 -0.38 0.00 -2.04 0.00 0.00 64.34 61.53 1oty n VAL 94 Cb 0.54 0.89 -0.06 0.00 -1.47 0.00 0.00 33.84 33.74 1oty n VAL 94 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1oty s LEU 95 N -1.67 4.25 0.27 1.34 1.43 -1.26 -4.83 118.68 118.21 1oty s LEU 95 Ca 0.00 0.77 -0.01 0.00 -1.03 0.00 0.00 54.13 53.86 1oty s LEU 95 Cb 0.00 -2.69 0.47 0.00 0.03 0.00 0.00 46.19 44.01 1oty s LEU 95 CO 0.00 -0.04 1.86 -0.65 0.23 0.00 0.00 176.35 177.76 1oty h PRO 96 N 6.89 1.07 -0.22 1.29 0.11 -1.99 -1.31 132.00 137.83 1oty h PRO 96 Ca -0.39 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1oty h PRO 96 Cb 1.17 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1oty h PRO 96 CO 0.75 0.71 0.00 -2.39 -0.21 0.00 0.00 178.00 176.86 1oty n HIS 97 N -4.55 0.00 -3.83 0.65 1.44 -1.26 -4.54 115.22 103.13 1oty n HIS 97 Ca 0.17 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.52 1oty n HIS 97 Cb 0.26 -0.02 -0.13 0.00 0.12 0.00 0.00 29.99 30.22 1oty n HIS 97 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1oty s VAL 98 N -1.74 3.34 0.45 0.61 1.01 -0.49 -5.10 120.40 118.48 1oty s VAL 98 Ca 0.00 -1.34 -0.02 0.00 0.00 0.00 0.00 61.98 60.62 1oty s VAL 98 Cb 0.00 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 1oty s VAL 98 CO 0.00 -0.19 0.71 -0.54 0.00 0.00 0.00 175.10 175.08 1oty s LYS 99 N 1.31 3.31 0.67 2.72 -0.14 -1.26 -4.84 119.74 121.51 1oty s LYS 99 Ca -0.03 -0.15 -0.17 0.00 -1.36 0.00 0.00 55.97 54.26 1oty s LYS 99 Cb -0.20 -2.49 0.01 0.00 -1.68 0.00 0.00 37.83 33.47 1oty s LYS 99 CO 0.00 -0.20 1.26 -0.51 -0.76 0.00 0.00 175.35 175.15 1oty s LEU 100 N -4.61 3.49 0.00 3.17 1.02 -1.26 -2.18 118.68 118.30 1oty s LEU 100 Ca 0.47 2.53 0.00 0.00 0.02 0.00 0.00 54.13 57.15 1oty s LEU 100 Cb -0.10 -4.61 0.00 0.00 0.02 0.00 0.00 46.19 41.50 1oty s LEU 100 CO 0.41 -2.09 0.00 0.54 0.02 0.00 0.00 176.35 175.23 1oty n ARG 101 N -2.17 -0.31 -2.36 1.70 1.74 0.64 -4.92 116.66 110.98 1oty n ARG 101 Ca 0.15 0.08 -0.38 0.00 -0.77 0.00 0.00 57.85 56.93 1oty n ARG 101 Cb 0.49 -3.62 -0.03 0.00 -1.02 0.00 0.00 32.46 28.29 1oty n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1oty s ASP 102 N -2.36 6.60 -0.15 0.55 1.11 -0.93 -4.69 116.67 116.81 1oty s ASP 102 Ca 0.00 2.27 -0.16 0.00 0.18 0.00 0.00 52.55 54.84 1oty s ASP 102 Cb 0.00 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 1oty s ASP 102 CO 0.00 -0.61 0.39 -0.69 1.18 0.00 0.00 175.17 175.43 1oty s VAL 103 N -1.46 5.24 -0.10 -1.27 1.01 -1.26 -0.91 120.40 121.65 1oty s VAL 103 Ca 0.57 0.74 0.04 0.00 0.00 0.00 0.00 61.98 63.33 1oty s VAL 103 Cb -0.29 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1oty s VAL 103 CO 0.36 0.34 -0.23 -0.69 0.00 0.00 0.00 175.10 174.87 1oty s VAL 104 N 0.68 2.01 -0.22 2.92 1.01 0.16 -1.71 120.40 125.26 1oty s VAL 104 Ca 0.21 -0.99 -0.07 0.00 0.00 0.00 0.00 61.98 61.13 1oty s VAL 104 Cb -0.14 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 1oty s VAL 104 CO 0.07 0.55 0.05 -0.63 0.00 0.00 0.00 175.10 175.14 1oty s ILE 105 N 0.38 4.39 -0.92 2.22 -1.09 0.14 -0.67 121.20 125.65 1oty s ILE 105 Ca -0.18 -0.16 -0.18 0.00 -2.23 0.00 0.00 60.65 57.90 1oty s ILE 105 Cb -0.18 -3.01 0.14 0.00 -1.58 0.00 0.00 42.46 37.83 1oty s ILE 105 CO 0.08 0.39 1.10 -0.83 -1.23 0.00 0.00 174.94 174.45 1oty s GLY 106 N 1.09 1.99 0.43 6.18 0.00 -0.46 -2.15 107.32 114.40 1oty s GLY 106 Ca 0.04 -2.81 0.15 0.00 0.00 0.00 0.00 44.72 42.10 1oty s GLY 106 CO 0.03 1.95 1.95 1.98 0.00 0.00 0.00 173.10 179.01 1oty h MET 107 N 8.75 0.00 -4.01 2.90 4.05 -1.50 -3.39 114.93 121.74 1oty h MET 107 Ca 0.15 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.45 1oty h MET 107 Cb 1.03 0.00 -0.13 0.00 -0.80 0.00 0.00 31.60 31.69 1oty h MET 107 CO 1.08 0.23 -0.41 0.20 0.23 0.00 0.00 176.91 178.24 1oty s GLY 108 N -4.23 0.54 -0.07 1.39 0.00 -1.14 -1.20 107.32 102.61 1oty s GLY 108 Ca -0.03 -0.99 -0.03 0.00 0.00 0.00 0.00 44.72 43.67 1oty s GLY 108 CO 0.69 -0.97 0.11 0.00 0.00 0.00 0.00 173.10 172.94 1oty s ALA 109 N -3.97 0.04 0.75 3.20 0.00 0.34 -1.38 121.76 120.74 1oty s ALA 109 Ca 0.17 0.35 -0.10 0.00 0.00 0.00 0.00 51.96 52.38 1oty s ALA 109 Cb 0.05 -0.75 0.06 0.00 0.00 0.00 0.00 23.12 22.48 1oty s ALA 109 CO -0.02 -0.58 1.10 0.00 0.00 0.00 0.00 175.76 176.27 1oty s THR 111 N -3.42 0.00 -1.20 0.00 -1.32 -1.26 0.18 115.64 108.63 1oty s THR 111 Ca 0.61 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 61.22 1oty s THR 111 Cb -0.11 -1.00 0.39 0.00 -1.51 0.00 0.00 72.50 70.27 1oty s THR 111 CO 0.47 0.00 1.32 -0.90 -2.21 0.00 0.00 174.62 173.31 1oty n ASP 112 N 0.18 3.18 -4.88 8.08 3.85 -1.22 -4.98 116.55 120.76 1oty n ASP 112 Ca -0.07 -2.00 -0.30 0.00 -0.71 0.00 0.00 54.79 51.71 1oty n ASP 112 Cb 0.59 -0.30 0.01 0.00 -1.35 0.00 0.00 41.12 40.08 1oty n ASP 112 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1oty s SER 113 N -1.00 6.12 0.00 -1.12 0.15 -1.26 -4.90 113.70 111.69 1oty s SER 113 Ca 0.30 1.30 0.18 0.00 0.70 0.00 0.00 55.95 58.43 1oty s SER 113 Cb 0.15 -2.36 -0.02 0.00 -1.71 0.00 0.00 66.02 62.09 1oty s SER 113 CO 0.20 -0.89 0.91 0.29 1.20 0.00 0.00 173.24 174.95 1oty n LYS 114 N -2.71 1.52 -0.28 5.44 5.02 -1.26 -4.62 118.16 121.26 1oty n LYS 114 Ca 0.05 -0.79 0.06 0.00 -2.02 0.00 0.00 58.31 55.61 1oty n LYS 114 Cb 0.55 -1.34 0.20 0.00 -0.02 0.00 0.00 35.03 34.42 1oty n LYS 114 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1oty h VAL 115 N 1.82 0.73 -0.08 -0.18 -1.51 -1.99 -0.15 116.25 114.89 1oty h VAL 115 Ca 0.00 -0.20 -0.17 0.00 -1.23 0.00 0.00 66.70 65.10 1oty h VAL 115 Cb 0.60 0.10 -0.01 0.00 -2.13 0.00 0.00 31.29 29.85 1oty h VAL 115 CO 0.00 0.11 -0.69 0.78 -1.23 0.00 0.00 177.57 176.54 1oty h ASN 116 N 0.58 0.40 -0.44 4.19 -0.26 -1.93 -2.36 115.58 115.76 1oty h ASN 116 Ca 0.43 -0.25 -0.09 0.00 -0.56 0.00 0.00 56.30 55.83 1oty h ASN 116 Cb 0.60 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.72 1oty h ASN 116 CO -0.35 0.97 -0.06 0.03 -1.06 0.00 0.00 177.43 176.96 1oty h ARG 117 N 0.24 0.82 -0.44 0.81 3.08 -1.58 0.37 114.38 117.69 1oty h ARG 117 Ca -0.02 -0.29 0.04 0.00 0.07 0.00 0.00 59.98 59.78 1oty h ARG 117 Cb 1.24 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 1oty h ARG 117 CO 0.11 0.91 0.29 0.82 -1.07 0.00 0.00 179.97 181.04 1oty h ILE 118 N 0.66 1.01 0.04 2.04 2.04 -0.99 0.16 117.51 122.48 1oty h ILE 118 Ca 0.12 -0.15 -0.24 0.00 1.00 0.00 0.00 64.86 65.59 1oty h ILE 118 Cb 0.58 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1oty h ILE 118 CO 0.03 0.08 -1.18 0.03 0.00 0.00 0.00 178.15 177.12 1oty h ARG 119 N 0.44 0.09 -0.88 2.37 3.08 -0.83 -3.39 114.38 115.27 1oty h ARG 119 Ca 0.18 -0.16 -0.61 0.00 0.07 0.00 0.00 59.98 59.46 1oty h ARG 119 Cb 0.18 0.06 -0.34 0.00 0.08 0.00 0.00 29.97 29.95 1oty h ARG 119 CO -0.04 1.02 0.17 0.34 -1.07 0.00 0.00 179.97 180.39 1oty n PHE 120 N -3.38 2.98 -2.71 3.04 7.35 0.12 -4.92 117.46 119.94 1oty n PHE 120 Ca -0.05 -2.65 -0.18 0.00 -0.76 0.00 0.00 57.45 53.80 1oty n PHE 120 Cb 0.98 -0.98 0.00 0.00 0.35 0.00 0.00 39.48 39.84 1oty n PHE 120 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1oty n LYS 121 N -0.85 -2.84 -1.75 -4.13 4.76 -1.09 -1.14 118.16 111.11 1oty n LYS 121 Ca 0.55 0.73 -0.14 0.00 -2.87 0.00 0.00 58.31 56.58 1oty n LYS 121 Cb 0.81 -5.42 -0.04 0.00 -1.84 0.00 0.00 35.03 28.55 1oty n LYS 121 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1oty n ASP 122 N -2.08 -4.49 -4.53 4.39 2.03 0.50 -5.02 116.55 107.36 1oty n ASP 122 Ca -0.14 0.20 -0.20 0.00 0.52 0.00 0.00 54.79 55.17 1oty n ASP 122 Cb 0.62 -3.39 0.03 0.00 -0.72 0.00 0.00 41.12 37.66 1oty n ASP 122 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1oty n HIS 123 N -3.18 -1.55 -2.98 -0.67 8.25 -0.29 -5.01 115.22 109.79 1oty n HIS 123 Ca -0.15 -1.95 -0.43 0.00 -0.26 0.00 0.00 57.72 54.94 1oty n HIS 123 Cb 0.52 -0.44 -0.06 0.00 1.12 0.00 0.00 29.99 31.14 1oty n HIS 123 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1oty s ASP 124 N -3.99 6.42 -0.22 0.41 -0.00 -1.26 -4.54 116.67 113.49 1oty s ASP 124 Ca 0.41 -0.06 -0.13 0.00 -0.00 0.00 0.00 52.55 52.77 1oty s ASP 124 Cb -0.03 -2.38 -0.05 0.00 -0.00 0.00 0.00 42.92 40.46 1oty s ASP 124 CO 0.26 -0.86 0.26 0.12 -0.00 0.00 0.00 175.17 174.94 1oty s PHE 125 N 3.19 3.36 -0.67 4.23 5.36 -1.26 -5.02 117.98 127.16 1oty s PHE 125 Ca 0.29 0.41 -0.25 0.00 -0.96 0.00 0.00 56.93 56.43 1oty s PHE 125 Cb -0.13 -2.37 0.05 0.00 -0.34 0.00 0.00 43.02 40.24 1oty s PHE 125 CO 0.21 0.07 1.09 0.00 -1.46 0.00 0.00 175.22 175.13 1oty s ALA 126 N 1.06 2.98 -0.60 11.12 0.00 -1.26 -4.96 121.76 130.10 1oty s ALA 126 Ca 0.13 -1.53 -0.27 0.00 0.00 0.00 0.00 51.96 50.29 1oty s ALA 126 Cb -0.14 -4.01 -0.02 0.00 0.00 0.00 0.00 23.12 18.96 1oty s ALA 126 CO 0.05 -2.92 1.80 0.00 0.00 0.00 0.00 175.76 174.69 1oty s ALA 127 N 4.73 2.28 0.20 0.00 0.00 -1.26 -4.96 121.76 122.75 1oty s ALA 127 Ca 0.29 -0.65 0.11 0.00 0.00 0.00 0.00 51.96 51.71 1oty s ALA 127 Cb -0.12 -4.28 -0.04 0.00 0.00 0.00 0.00 23.12 18.67 1oty s ALA 127 CO 0.14 -3.74 -0.23 0.96 0.00 0.00 0.00 175.76 172.89 1oty s ILE 128 N 8.59 2.42 0.85 0.00 -4.36 -1.26 -0.51 121.20 126.94 1oty s ILE 128 Ca 0.65 -2.03 -0.12 0.00 -0.26 0.00 0.00 60.65 58.88 1oty s ILE 128 Cb -0.13 -2.17 0.13 0.00 1.25 0.00 0.00 42.46 41.54 1oty s ILE 128 CO 0.21 -0.14 1.20 0.00 0.24 0.00 0.00 174.94 176.46 1oty s ALA 129 N -1.73 2.62 -0.07 2.27 0.00 -0.34 -4.85 121.76 119.65 1oty s ALA 129 Ca 0.22 -0.97 -0.30 0.00 0.00 0.00 0.00 51.96 50.91 1oty s ALA 129 Cb -0.08 -2.78 -0.02 0.00 0.00 0.00 0.00 23.12 20.24 1oty s ALA 129 CO 0.11 -1.92 1.08 0.34 0.00 0.00 0.00 175.76 175.37 1oty s ASP 130 N -4.71 7.18 0.23 0.00 -1.08 -0.26 -4.93 116.67 113.10 1oty s ASP 130 Ca 0.67 1.66 -0.07 0.00 -0.52 0.00 0.00 52.55 54.29 1oty s ASP 130 Cb -0.08 -2.56 0.35 0.00 -1.46 0.00 0.00 42.92 39.18 1oty s ASP 130 CO 0.50 -0.48 1.76 0.15 0.52 0.00 0.00 175.17 177.62 1oty h PHE 131 N 7.19 0.58 -0.86 -5.34 3.57 -1.94 -2.01 116.94 118.13 1oty h PHE 131 Ca -0.33 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.17 1oty h PHE 131 Cb 1.16 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.71 1oty h PHE 131 CO 0.71 0.18 0.41 -0.44 -2.23 0.00 0.00 178.31 176.95 1oty h ASP 132 N 0.55 1.12 -0.36 0.41 3.45 -1.99 -1.64 116.42 117.96 1oty h ASP 132 Ca 0.36 -0.13 -0.04 0.00 0.43 0.00 0.00 57.03 57.65 1oty h ASP 132 Cb 0.42 -0.29 -0.02 0.00 -0.56 0.00 0.00 39.33 38.88 1oty h ASP 132 CO -0.30 0.94 0.11 0.24 -1.57 0.00 0.00 179.24 178.66 1oty h MET 133 N 1.22 0.65 0.19 3.56 2.86 -1.79 0.57 114.93 122.19 1oty h MET 133 Ca 0.30 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 1oty h MET 133 Cb 0.12 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1oty h MET 133 CO -0.04 0.59 -0.09 0.28 1.06 0.00 0.00 176.91 178.71 1oty h VAL 134 N 0.63 0.89 -0.46 -2.22 2.07 -0.67 -1.59 116.25 114.89 1oty h VAL 134 Ca 0.14 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 1oty h VAL 134 Cb 0.24 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1oty h VAL 134 CO -0.00 0.08 0.11 -0.09 0.02 0.00 0.00 177.57 177.69 1oty h ARG 135 N -0.41 0.70 -0.44 1.57 2.43 -1.03 -1.04 114.38 116.16 1oty h ARG 135 Ca -0.03 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 1oty h ARG 135 Cb 0.32 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1oty h ARG 135 CO 0.04 0.63 0.22 -0.91 -1.51 0.00 0.00 179.97 178.44 1oty h ASN 136 N 0.68 0.56 -0.72 -3.80 -0.26 -0.78 0.43 115.58 111.69 1oty h ASN 136 Ca 0.15 -0.11 -0.06 0.00 -0.56 0.00 0.00 56.30 55.72 1oty h ASN 136 Cb 0.25 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 37.34 1oty h ASN 136 CO -0.00 0.52 0.23 0.00 -1.06 0.00 0.00 177.43 177.12 1oty h ALA 137 N 1.07 1.03 -0.41 -0.83 0.00 -0.75 0.14 119.26 119.51 1oty h ALA 137 Ca 0.15 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1oty h ALA 137 Cb 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1oty h ALA 137 CO -0.02 0.65 -0.03 0.28 0.00 0.00 0.00 179.25 180.13 1oty h VAL 138 N 1.08 1.27 -0.36 0.00 2.07 -0.86 -0.94 116.25 118.50 1oty h VAL 138 Ca 0.24 -1.08 -0.13 0.00 0.82 0.00 0.00 66.70 66.55 1oty h VAL 138 Cb 0.29 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1oty h VAL 138 CO -0.01 0.36 -0.31 0.44 0.02 0.00 0.00 177.57 178.08 1oty h ASP 139 N 0.57 0.82 -0.57 0.57 3.45 -0.66 -0.99 116.42 119.62 1oty h ASP 139 Ca 0.11 -0.33 -0.07 0.00 0.43 0.00 0.00 57.03 57.17 1oty h ASP 139 Cb 0.53 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 39.05 1oty h ASP 139 CO 0.03 1.06 0.09 0.00 -1.57 0.00 0.00 179.24 178.85 1oty h ALA 140 N 0.99 0.75 -0.29 3.45 0.00 -0.62 -0.43 119.26 123.10 1oty h ALA 140 Ca 0.07 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1oty h ALA 140 Cb 0.84 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1oty h ALA 140 CO 0.07 0.50 0.18 0.00 0.00 0.00 0.00 179.25 180.00 1oty h ALA 141 N 1.00 0.37 -0.33 0.00 0.00 -0.99 -1.54 119.26 117.78 1oty h ALA 141 Ca 0.17 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1oty h ALA 141 Cb 0.42 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1oty h ALA 141 CO 0.01 -0.12 0.14 -0.22 0.00 0.00 0.00 179.25 179.06 1oty h LYS 142 N 0.37 0.29 -0.35 0.00 1.63 -0.85 0.30 116.57 117.97 1oty h LYS 142 Ca 0.11 -0.02 0.05 0.00 -0.85 0.00 0.00 60.65 59.93 1oty h LYS 142 Cb 0.02 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 1oty h LYS 142 CO -0.02 0.19 0.24 0.00 -3.45 0.00 0.00 179.45 176.41 1oty h ALA 143 N 1.19 1.97 -0.39 5.00 0.00 -0.79 0.15 119.26 126.39 1oty h ALA 143 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1oty h ALA 143 Cb 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1oty h ALA 143 CO -0.12 -0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.38 1oty n LEU 144 N -4.48 3.51 -0.48 0.00 4.77 -0.48 -4.89 117.00 114.94 1oty n LEU 144 Ca 0.04 -1.77 -0.06 0.00 -0.03 0.00 0.00 56.01 54.18 1oty n LEU 144 Cb 0.21 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 1oty n LEU 144 CO 0.35 0.52 -0.06 0.61 -1.33 0.00 0.00 177.39 177.48 1oty n GLY 145 N 0.64 0.62 3.77 -0.72 0.00 0.54 -4.95 105.19 105.09 1oty n GLY 145 Ca 0.17 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1oty n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oty s ILE 146 N -1.59 4.98 0.06 -0.61 -1.09 0.94 -4.97 121.20 118.92 1oty s ILE 146 Ca 0.00 1.09 -0.27 0.00 -2.23 0.00 0.00 60.65 59.24 1oty s ILE 146 Cb 0.00 -3.86 -0.05 0.00 -1.58 0.00 0.00 42.46 36.97 1oty s ILE 146 CO 0.00 0.44 0.84 -1.81 -1.23 0.00 0.00 174.94 173.18 1oty s ASP 147 N -0.26 7.31 -0.04 3.58 1.01 -1.26 -3.72 116.67 123.28 1oty s ASP 147 Ca 0.28 1.57 0.01 0.00 0.71 0.00 0.00 52.55 55.11 1oty s ASP 147 Cb -0.17 -2.51 0.02 0.00 1.01 0.00 0.00 42.92 41.27 1oty s ASP 147 CO 0.15 -0.04 -0.03 0.00 0.21 0.00 0.00 175.17 175.46 1oty s ALA 148 N 0.07 0.62 -0.08 5.23 0.00 -1.26 -4.06 121.76 122.28 1oty s ALA 148 Ca 0.42 -0.03 -0.10 0.00 0.00 0.00 0.00 51.96 52.25 1oty s ALA 148 Cb -0.21 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.42 1oty s ALA 148 CO 0.25 -0.07 0.25 0.50 0.00 0.00 0.00 175.76 176.70 1oty s ARG 149 N 1.03 3.67 -0.05 0.00 6.06 -0.69 -4.95 118.95 124.02 1oty s ARG 149 Ca -0.09 0.08 0.06 0.00 -2.50 0.00 0.00 55.73 53.28 1oty s ARG 149 Cb -0.14 -3.22 -0.01 0.00 0.06 0.00 0.00 34.95 31.64 1oty s ARG 149 CO -0.01 0.71 -0.25 0.08 -2.50 0.00 0.00 175.30 173.34 1oty s VAL 150 N -0.95 2.12 -3.00 7.11 1.01 -1.26 0.23 120.40 125.66 1oty s VAL 150 Ca 0.18 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1oty s VAL 150 Cb -0.14 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.48 1oty s VAL 150 CO 0.07 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.36 1oty n GLY 151 N 2.76 -0.62 3.84 4.51 0.00 -0.92 -4.95 105.19 109.81 1oty n GLY 151 Ca -0.17 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 1oty n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1oty s ASN 152 N -4.00 6.89 0.35 1.61 0.01 -1.26 -1.26 114.94 117.28 1oty s ASN 152 Ca 0.00 1.17 0.09 0.00 -0.71 0.00 0.00 52.86 53.41 1oty s ASN 152 Cb 0.00 -2.32 -0.05 0.00 0.41 0.00 0.00 41.25 39.28 1oty s ASN 152 CO 0.00 0.09 0.07 -0.76 -1.51 0.00 0.00 177.10 174.98 1oty s LEU 153 N -1.94 3.07 -0.13 0.60 1.43 -0.48 -0.62 118.68 120.62 1oty s LEU 153 Ca 0.39 -0.94 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 1oty s LEU 153 Cb -0.16 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.62 1oty s LEU 153 CO 0.20 -0.29 -0.12 0.12 0.23 0.00 0.00 176.35 176.49 1oty s PHE 154 N -2.50 1.91 -0.51 0.29 5.36 0.05 -0.03 117.98 122.55 1oty s PHE 154 Ca 0.36 -1.03 -0.18 0.00 -0.96 0.00 0.00 56.93 55.13 1oty s PHE 154 Cb -0.00 -1.45 0.07 0.00 -0.34 0.00 0.00 43.02 41.30 1oty s PHE 154 CO 0.21 -0.60 0.56 -1.12 -1.46 0.00 0.00 175.22 172.81 1oty s SER 155 N 1.51 6.19 0.14 6.13 0.01 0.13 -0.94 113.70 126.87 1oty s SER 155 Ca 0.04 -1.14 -0.16 0.00 1.31 0.00 0.00 55.95 56.00 1oty s SER 155 Cb -0.13 -2.26 -0.07 0.00 0.21 0.00 0.00 66.02 63.77 1oty s SER 155 CO -0.09 -0.85 0.57 0.00 0.41 0.00 0.00 173.24 173.29 1oty s ALA 156 N 2.30 3.56 0.01 1.44 0.00 0.44 -3.43 121.76 126.08 1oty s ALA 156 Ca 0.11 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.05 1oty s ALA 156 Cb -0.22 -2.58 -0.25 0.00 0.00 0.00 0.00 23.12 20.07 1oty s ALA 156 CO 0.09 0.43 0.89 -0.44 0.00 0.00 0.00 175.76 176.73 1oty h ASP 157 N 3.78 0.19 -3.73 0.00 3.45 -1.90 -3.41 116.42 114.79 1oty h ASP 157 Ca -0.49 -0.27 -0.68 0.00 0.43 0.00 0.00 57.03 56.01 1oty h ASP 157 Cb 1.20 -0.06 -0.32 0.00 -0.56 0.00 0.00 39.33 39.59 1oty h ASP 157 CO 0.65 1.23 -0.69 -0.76 -1.57 0.00 0.00 179.24 178.10 1oty s LEU 158 N -6.67 3.91 0.35 1.55 1.43 -1.26 -4.94 118.68 113.05 1oty s LEU 158 Ca -0.06 -1.20 0.04 0.00 -1.03 0.00 0.00 54.13 51.88 1oty s LEU 158 Cb 0.08 -1.74 0.65 0.00 0.03 0.00 0.00 46.19 45.21 1oty s LEU 158 CO 0.83 -0.26 1.95 0.15 0.23 0.00 0.00 176.35 179.25 1oty h PHE 159 N 8.04 0.63 -2.80 0.29 3.04 -1.98 -2.98 116.94 121.18 1oty h PHE 159 Ca -0.23 -0.02 -0.73 0.00 3.98 0.00 0.00 57.97 60.97 1oty h PHE 159 Cb 1.07 -0.20 -0.33 0.00 2.56 0.00 0.00 35.95 39.05 1oty h PHE 159 CO 0.61 0.49 0.22 0.66 -2.02 0.00 0.00 178.31 178.27 1oty n TYR 160 N -4.37 3.17 -2.25 0.41 4.01 -1.26 -5.05 117.16 111.82 1oty n TYR 160 Ca 0.03 -3.38 -0.41 0.00 -0.16 0.00 0.00 57.90 53.98 1oty n TYR 160 Cb 0.15 -1.05 -0.03 0.00 -0.31 0.00 0.00 39.34 38.09 1oty n TYR 160 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1oty s SER 161 N -1.56 6.93 0.48 7.72 0.15 -1.13 -4.92 113.70 121.37 1oty s SER 161 Ca 0.33 2.39 0.32 0.00 0.70 0.00 0.00 55.95 59.69 1oty s SER 161 Cb 0.05 -2.61 1.42 0.00 -1.71 0.00 0.00 66.02 63.17 1oty s SER 161 CO 0.02 -0.49 1.96 -0.65 1.20 0.00 0.00 173.24 175.28 1oty h PRO 162 N 5.14 0.00 -4.95 5.44 0.11 -1.97 -3.41 132.00 132.37 1oty h PRO 162 Ca -0.45 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.01 1oty h PRO 162 Cb 1.22 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.12 1oty h PRO 162 CO 0.75 0.00 -0.59 0.34 -0.21 0.00 0.00 178.00 178.29 1oty s ASP 163 N -5.13 5.39 -0.02 -2.05 -1.08 -1.26 -4.94 116.67 107.58 1oty s ASP 163 Ca 0.01 -0.14 0.20 0.00 -0.52 0.00 0.00 52.55 52.10 1oty s ASP 163 Cb 0.09 -1.98 -0.28 0.00 -1.46 0.00 0.00 42.92 39.30 1oty s ASP 163 CO 0.46 -0.03 0.60 0.61 0.52 0.00 0.00 175.17 177.33 1oty n GLY 164 N 4.89 -0.92 0.25 2.66 0.00 -1.26 -4.21 105.19 106.60 1oty n GLY 164 Ca -0.16 -0.52 0.14 0.00 0.00 0.00 0.00 46.02 45.49 1oty n GLY 164 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1oty h GLU 165 N 0.00 0.00 0.00 1.61 4.81 -1.98 -3.01 114.58 116.02 1oty h GLU 165 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1oty h GLU 165 Cb 0.76 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 1oty h GLU 165 CO 0.00 0.08 -0.19 1.98 -0.73 0.00 0.00 179.01 180.15 1oty h MET 166 N 0.00 0.00 -0.02 1.92 4.05 -2.00 -2.06 114.93 116.82 1oty h MET 166 Ca -0.00 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.34 1oty h MET 166 Cb 0.65 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.43 1oty h MET 166 CO 0.01 0.19 -0.37 0.74 0.23 0.00 0.00 176.91 177.71 1oty h PHE 167 N 0.00 0.03 -0.40 1.39 -1.00 -1.80 -0.07 116.94 115.08 1oty h PHE 167 Ca -0.00 -0.01 -0.09 0.00 2.81 0.00 0.00 57.97 60.68 1oty h PHE 167 Cb 0.37 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 1oty h PHE 167 CO 0.00 0.40 -0.08 -0.44 -1.61 0.00 0.00 178.31 176.57 1oty h ASP 168 N 0.03 0.77 -0.16 2.17 3.45 -1.55 -1.72 116.42 119.41 1oty h ASP 168 Ca 0.00 -0.36 -0.00 0.00 0.43 0.00 0.00 57.03 57.10 1oty h ASP 168 Cb 0.67 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 39.22 1oty h ASP 168 CO 0.05 0.95 0.09 0.58 -1.57 0.00 0.00 179.24 179.34 1oty h VAL 169 N 0.59 1.07 -0.87 -1.35 2.07 -1.25 0.34 116.25 116.86 1oty h VAL 169 Ca 0.10 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.51 1oty h VAL 169 Cb 0.60 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 1oty h VAL 169 CO 0.04 0.07 0.53 0.24 0.02 0.00 0.00 177.57 178.47 1oty h MET 170 N 0.18 0.92 -0.35 1.57 2.86 -0.92 -0.74 114.93 118.44 1oty h MET 170 Ca 0.06 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1oty h MET 170 Cb 0.03 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 1oty h MET 170 CO -0.01 0.61 0.04 1.49 1.06 0.00 0.00 176.91 180.10 1oty h GLU 171 N 0.95 0.60 -0.39 1.72 4.81 -0.89 0.40 114.58 121.77 1oty h GLU 171 Ca 0.39 -0.17 0.02 0.00 -0.13 0.00 0.00 59.36 59.47 1oty h GLU 171 Cb 0.22 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1oty h GLU 171 CO -0.19 0.68 0.26 -0.22 -0.73 0.00 0.00 179.01 178.81 1oty h LYS 172 N 0.43 0.44 -0.64 1.92 3.64 -0.14 -2.01 116.57 120.20 1oty h LYS 172 Ca 0.11 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1oty h LYS 172 Cb 0.39 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1oty h LYS 172 CO 0.01 0.29 0.00 0.66 -2.27 0.00 0.00 179.45 178.14 1oty n TYR 173 N -4.48 1.58 -1.12 1.91 4.01 -0.36 -4.95 117.16 113.75 1oty n TYR 173 Ca 0.04 -0.59 -0.04 0.00 -0.16 0.00 0.00 57.90 57.14 1oty n TYR 173 Cb 0.12 -0.33 -0.02 0.00 -0.31 0.00 0.00 39.34 38.81 1oty n TYR 173 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1oty n GLY 174 N 0.88 0.66 3.67 2.72 0.00 -0.76 -4.98 105.19 107.39 1oty n GLY 174 Ca 0.24 -0.34 -0.46 0.00 0.00 0.00 0.00 46.02 45.46 1oty n GLY 174 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1oty n ILE 175 N -2.69 0.18 0.04 -0.61 -0.00 0.08 -4.60 119.36 111.77 1oty n ILE 175 Ca -0.04 -0.03 -0.11 0.00 -0.00 0.00 0.00 62.75 62.57 1oty n ILE 175 Cb 0.23 -1.68 -0.13 0.00 -0.00 0.00 0.00 39.64 38.06 1oty n ILE 175 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 1oty h LEU 176 N 6.98 0.13 -7.00 1.39 3.38 -1.20 -3.41 115.31 115.59 1oty h LEU 176 Ca -0.46 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.28 1oty h LEU 176 Cb 1.25 -0.04 -0.20 0.00 0.09 0.00 0.00 40.66 41.77 1oty h LEU 176 CO 0.91 1.15 0.18 -0.83 0.09 0.00 0.00 178.44 179.94 1oty s GLY 177 N -4.86 -0.57 -0.19 0.83 0.00 -1.24 -4.49 107.32 96.79 1oty s GLY 177 Ca -0.03 1.49 -0.06 0.00 0.00 0.00 0.00 44.72 46.12 1oty s GLY 177 CO 0.83 1.14 0.02 0.14 0.00 0.00 0.00 173.10 175.23 1oty s VAL 178 N -0.84 4.27 0.00 1.40 1.01 0.22 -0.77 120.40 125.69 1oty s VAL 178 Ca -0.08 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1oty s VAL 178 Cb -0.01 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.44 1oty s VAL 178 CO 0.08 0.44 0.00 -1.84 0.00 0.00 0.00 175.10 173.78 1oty n GLU 179 N 3.91 0.00 -0.84 2.72 -0.00 -0.12 -1.09 120.64 125.23 1oty n GLU 179 Ca -0.17 0.00 0.02 0.00 -0.00 0.00 0.00 57.16 57.02 1oty n GLU 179 Cb 0.52 0.00 0.03 0.00 -0.00 0.00 0.00 31.44 31.99 1oty n GLU 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1oty n MET 180 N 0.00 0.16 0.00 3.44 2.81 -1.26 -0.42 117.12 121.85 1oty n MET 180 Ca 0.00 -1.57 0.00 0.00 -1.81 0.00 0.00 57.70 54.32 1oty n MET 180 Cb 0.00 -0.44 0.00 0.00 -0.71 0.00 0.00 33.22 32.07 1oty n MET 180 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1oty n GLU 181 N 0.03 0.00 -0.26 0.03 4.71 -1.26 -1.30 120.64 122.59 1oty n GLU 181 Ca 0.04 0.00 -0.06 0.00 -0.01 0.00 0.00 57.16 57.13 1oty n GLU 181 Cb 0.86 -0.44 -0.05 0.00 -1.01 0.00 0.00 31.44 30.80 1oty n GLU 181 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1oty n ALA 182 N -1.77 -0.37 0.06 0.62 0.00 -1.26 0.21 120.51 118.00 1oty n ALA 182 Ca 0.00 0.54 0.11 0.00 0.00 0.00 0.00 53.44 54.09 1oty n ALA 182 Cb 0.04 -0.10 0.57 0.00 0.00 0.00 0.00 19.45 19.95 1oty n ALA 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oty h ALA 183 N 0.36 2.05 -0.07 0.00 0.00 -1.83 0.02 119.26 119.80 1oty h ALA 183 Ca 0.11 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1oty h ALA 183 Cb 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1oty h ALA 183 CO -0.59 -0.13 -0.35 0.78 0.00 0.00 0.00 179.25 178.97 1oty h GLY 184 N 0.22 0.39 1.02 0.00 0.00 -0.59 -2.08 103.07 102.03 1oty h GLY 184 Ca 0.16 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 1oty h GLY 184 CO -0.03 0.49 0.28 -2.22 0.00 0.00 0.00 176.54 175.06 1oty h ILE 185 N -0.14 1.25 -0.46 2.60 2.04 -0.70 -0.92 117.51 121.17 1oty h ILE 185 Ca -0.02 -0.78 -0.08 0.00 1.00 0.00 0.00 64.86 64.98 1oty h ILE 185 Cb 1.00 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1oty h ILE 185 CO 0.07 0.31 -0.04 1.88 0.00 0.00 0.00 178.15 180.37 1oty h TYR 186 N 1.00 0.85 -0.20 1.37 0.99 -1.06 0.10 116.97 120.02 1oty h TYR 186 Ca 0.23 -0.13 -0.02 0.00 2.00 0.00 0.00 58.73 60.81 1oty h TYR 186 Cb 0.21 -0.23 -0.01 0.00 1.00 0.00 0.00 36.73 37.71 1oty h TYR 186 CO 0.02 0.81 0.06 0.78 -0.00 0.00 0.00 178.16 179.82 1oty h GLY 187 N 0.97 0.35 0.93 3.88 0.00 -0.95 -1.40 103.07 106.86 1oty h GLY 187 Ca 0.14 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1oty h GLY 187 CO 0.03 0.20 0.05 -2.08 0.00 0.00 0.00 176.54 174.73 1oty h VAL 188 N 0.15 1.08 -0.72 4.60 2.07 -0.93 -0.48 116.25 122.02 1oty h VAL 188 Ca 0.07 -0.22 0.09 0.00 0.82 0.00 0.00 66.70 67.45 1oty h VAL 188 Cb 0.25 1.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.01 1oty h VAL 188 CO -0.00 0.07 0.37 0.00 0.02 0.00 0.00 177.57 178.03 1oty h ALA 189 N 0.96 0.99 -0.67 1.67 0.00 -0.93 -0.75 119.26 120.53 1oty h ALA 189 Ca 0.03 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1oty h ALA 189 Cb 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1oty h ALA 189 CO -0.01 -0.02 0.11 0.00 0.00 0.00 0.00 179.25 179.34 1oty h ALA 190 N 1.42 0.89 -0.51 0.00 0.00 -0.92 0.12 119.26 120.25 1oty h ALA 190 Ca 0.35 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1oty h ALA 190 Cb 0.34 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1oty h ALA 190 CO -0.25 0.66 0.17 1.49 0.00 0.00 0.00 179.25 181.32 1oty h GLU 191 N 1.03 0.79 -0.57 0.00 4.81 -0.15 -3.20 114.58 117.29 1oty h GLU 191 Ca 0.20 -0.16 -0.15 0.00 -0.13 0.00 0.00 59.36 59.13 1oty h GLU 191 Cb 0.44 -0.12 -0.09 0.00 0.63 0.00 0.00 28.75 29.62 1oty h GLU 191 CO 0.01 0.72 0.15 1.19 -0.73 0.00 0.00 179.01 180.35 1oty n PHE 192 N -4.50 1.92 -3.56 0.92 3.01 -0.38 -4.98 117.46 109.90 1oty n PHE 192 Ca 0.02 -1.15 -0.21 0.00 1.01 0.00 0.00 57.45 57.12 1oty n PHE 192 Cb 0.18 -0.57 0.08 0.00 -0.01 0.00 0.00 39.48 39.16 1oty n PHE 192 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1oty n GLY 193 N -0.30 -0.45 3.63 1.37 0.00 -0.63 -4.97 105.19 103.84 1oty n GLY 193 Ca 0.35 0.18 -0.31 0.00 0.00 0.00 0.00 46.02 46.24 1oty n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oty n ALA 194 N -4.56 0.50 -2.45 4.61 0.00 0.31 -5.03 120.51 113.88 1oty n ALA 194 Ca -0.14 -2.27 -0.32 0.00 0.00 0.00 0.00 53.44 50.72 1oty n ALA 194 Cb 0.61 1.34 -0.13 0.00 0.00 0.00 0.00 19.45 21.27 1oty n ALA 194 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1oty s LYS 195 N -3.78 2.33 0.05 0.00 1.02 -0.58 -4.44 119.74 114.35 1oty s LYS 195 Ca 0.08 -0.81 -0.04 0.00 0.02 0.00 0.00 55.97 55.22 1oty s LYS 195 Cb 0.00 -2.29 -0.02 0.00 -0.52 0.00 0.00 37.83 35.01 1oty s LYS 195 CO 0.05 0.59 0.06 0.00 -0.92 0.00 0.00 175.35 175.13 1oty s ALA 196 N -0.78 0.15 -0.06 5.17 0.00 -1.26 -1.58 121.76 123.40 1oty s ALA 196 Ca 0.12 -0.85 -0.21 0.00 0.00 0.00 0.00 51.96 51.03 1oty s ALA 196 Cb -0.11 0.31 0.04 0.00 0.00 0.00 0.00 23.12 23.37 1oty s ALA 196 CO 0.02 -0.38 0.47 -1.17 0.00 0.00 0.00 175.76 174.70 1oty s LEU 197 N -2.61 0.21 -0.09 0.00 2.96 -0.62 -1.10 118.68 117.44 1oty s LEU 197 Ca 0.02 0.48 0.02 0.00 -0.22 0.00 0.00 54.13 54.43 1oty s LEU 197 Cb 0.04 1.77 0.01 0.00 0.50 0.00 0.00 46.19 48.51 1oty s LEU 197 CO -0.08 -0.44 -0.14 -0.89 -1.32 0.00 0.00 176.35 173.47 1oty s THR 198 N -0.95 1.36 -0.09 3.68 2.01 -1.26 -1.05 115.64 119.34 1oty s THR 198 Ca -0.10 -0.58 0.04 0.00 0.31 0.00 0.00 61.69 61.36 1oty s THR 198 Cb -0.03 -1.24 0.00 0.00 0.01 0.00 0.00 72.50 71.24 1oty s THR 198 CO 0.05 0.41 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.55 1oty s ILE 199 N 0.80 1.84 0.10 1.82 1.01 0.52 -1.35 121.20 125.95 1oty s ILE 199 Ca -0.11 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.68 1oty s ILE 199 Cb -0.16 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 1oty s ILE 199 CO 0.02 0.51 -0.11 0.00 0.00 0.00 0.00 174.94 175.36 1oty s THR 201 N -2.37 2.87 -0.44 0.00 -4.23 0.05 0.40 115.64 111.92 1oty s THR 201 Ca 0.06 -0.75 -0.27 0.00 -1.18 0.00 0.00 61.69 59.55 1oty s THR 201 Cb -0.03 -2.16 -0.04 0.00 1.34 0.00 0.00 72.50 71.61 1oty s THR 201 CO 0.01 0.55 2.08 -0.69 -0.54 0.00 0.00 174.62 176.02 1oty s VAL 202 N -0.03 3.22 0.00 2.29 1.01 -0.08 -1.85 120.40 124.96 1oty s VAL 202 Ca -0.04 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1oty s VAL 202 Cb -0.14 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1oty s VAL 202 CO 0.04 -0.37 0.17 -1.54 0.00 0.00 0.00 175.10 173.41 1oty n SER 203 N 13.01 0.00 -4.86 3.32 3.41 0.31 -0.26 113.62 128.55 1oty n SER 203 Ca 0.28 0.51 -0.26 0.00 -0.26 0.00 0.00 58.87 59.14 1oty n SER 203 Cb 0.51 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 1oty n SER 203 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1oty s ASP 204 N -2.55 4.57 -0.17 4.04 -4.77 -1.25 -4.68 116.67 111.86 1oty s ASP 204 Ca 0.00 -1.23 -0.00 0.00 -3.30 0.00 0.00 52.55 48.02 1oty s ASP 204 Cb 0.00 0.21 0.04 0.00 -1.09 0.00 0.00 42.92 42.08 1oty s ASP 204 CO 0.00 -0.95 -0.06 -2.28 0.70 0.00 0.00 175.17 172.58 1oty s HIS 205 N -2.73 1.83 0.54 2.11 2.46 -1.26 -2.15 115.29 116.09 1oty s HIS 205 Ca 0.33 -1.17 0.33 0.00 0.47 0.00 0.00 55.06 55.02 1oty s HIS 205 Cb -0.01 -1.38 1.81 0.00 -0.13 0.00 0.00 32.58 32.87 1oty s HIS 205 CO 0.20 -0.64 2.01 0.82 -2.47 0.00 0.00 174.74 174.66 1oty h ILE 206 N 6.37 0.00 0.00 0.89 5.03 -1.79 -3.30 117.51 124.71 1oty h ILE 206 Ca -0.25 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.49 1oty h ILE 206 Cb 1.11 0.74 0.00 0.00 -3.03 0.00 0.00 36.82 35.64 1oty h ILE 206 CO 0.42 0.00 0.00 -1.14 -0.68 0.00 0.00 178.15 176.75 1oty n ARG 207 N -2.83 0.00 -3.04 2.37 3.00 -1.26 -4.81 116.66 110.09 1oty n ARG 207 Ca -0.02 0.00 -0.44 0.00 -0.00 0.00 0.00 57.85 57.39 1oty n ARG 207 Cb 0.24 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.65 1oty n ARG 207 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1oty s THR 208 N 0.00 4.68 -0.45 5.15 2.01 -1.26 -4.99 115.64 120.78 1oty s THR 208 Ca 0.00 -0.69 -0.31 0.00 0.31 0.00 0.00 61.69 61.00 1oty s THR 208 Cb 0.00 -4.51 -0.10 0.00 0.01 0.00 0.00 72.50 67.89 1oty s THR 208 CO 0.00 -1.16 2.32 1.57 -0.69 0.00 0.00 174.62 176.66 1oty n HIS 209 N 6.72 1.48 0.00 4.92 -0.00 -1.24 -4.80 115.22 122.31 1oty n HIS 209 Ca -0.07 0.18 0.00 0.00 0.46 0.00 0.00 57.72 58.29 1oty n HIS 209 Cb 0.44 -2.58 0.00 0.00 -0.12 0.00 0.00 29.99 27.73 1oty n HIS 209 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1oty n GLU 210 N 8.56 3.35 -3.66 1.57 2.13 -1.26 -5.05 120.64 126.27 1oty n GLU 210 Ca 0.41 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 58.12 1oty n GLU 210 Cb 0.33 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.96 1oty n GLU 210 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1oty s GLN 211 N 0.00 0.67 -0.01 5.31 -1.52 -1.26 -5.07 119.66 117.78 1oty s GLN 211 Ca 0.00 0.93 0.02 0.00 -1.95 0.00 0.00 55.36 54.36 1oty s GLN 211 Cb 0.00 0.25 -0.00 0.00 -0.22 0.00 0.00 33.01 33.04 1oty s GLN 211 CO 0.00 -0.11 -0.08 0.95 -0.25 0.00 0.00 175.29 175.80 1oty s THR 212 N 0.77 0.63 0.42 -0.19 -4.23 -1.26 -5.15 115.64 106.64 1oty s THR 212 Ca -0.04 -0.33 -0.20 0.00 -1.18 0.00 0.00 61.69 59.95 1oty s THR 212 Cb -0.05 -0.54 -0.11 0.00 1.34 0.00 0.00 72.50 73.14 1oty s THR 212 CO -0.06 0.19 0.92 0.42 -0.54 0.00 0.00 174.62 175.55 1oty s THR 213 N -0.09 4.44 0.59 3.99 -4.23 -1.26 -4.89 115.64 114.19 1oty s THR 213 Ca 0.02 1.40 0.29 0.00 -1.18 0.00 0.00 61.69 62.21 1oty s THR 213 Cb -0.04 -3.61 0.37 0.00 1.34 0.00 0.00 72.50 70.56 1oty s THR 213 CO -0.00 -0.33 1.96 0.00 -0.54 0.00 0.00 174.62 175.71 1oty h ALA 214 N 1.89 2.01 -0.11 3.99 0.00 -2.01 0.93 119.26 125.96 1oty h ALA 214 Ca -0.49 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.32 1oty h ALA 214 Cb 1.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1oty h ALA 214 CO 0.62 -0.56 -0.30 0.00 0.00 0.00 0.00 179.25 179.00 1oty h ALA 215 N 1.55 0.19 -0.76 0.00 0.00 -2.00 -1.82 119.26 116.42 1oty h ALA 215 Ca 0.16 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1oty h ALA 215 Cb 0.93 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1oty h ALA 215 CO -0.00 0.22 0.29 0.93 0.00 0.00 0.00 179.25 180.69 1oty h GLU 216 N -0.02 1.15 -0.75 0.00 5.08 -1.24 -2.39 114.58 116.40 1oty h GLU 216 Ca -0.01 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.10 1oty h GLU 216 Cb 0.91 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 1oty h GLU 216 CO 0.06 0.94 0.33 0.00 -1.00 0.00 0.00 179.01 179.35 1oty h ARG 217 N 1.11 1.11 0.10 2.33 2.47 -1.20 -1.96 114.38 118.34 1oty h ARG 217 Ca 0.25 -0.18 0.01 0.00 -1.26 0.00 0.00 59.98 58.80 1oty h ARG 217 Cb 0.23 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.34 1oty h ARG 217 CO -0.02 0.88 -0.15 0.37 0.56 0.00 0.00 179.97 181.61 1oty h GLN 218 N 1.07 -0.30 0.03 0.04 5.75 -0.95 -0.80 115.11 119.95 1oty h GLN 218 Ca 0.25 0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.80 1oty h GLN 218 Cb 0.17 0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.75 1oty h GLN 218 CO -0.03 -0.20 -0.22 1.15 -2.65 0.00 0.00 178.83 176.89 1oty h THR 219 N -0.31 0.50 -0.58 2.39 2.02 -1.26 -1.89 112.91 113.78 1oty h THR 219 Ca 0.02 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.26 1oty h THR 219 Cb 0.32 0.50 -0.05 0.00 -1.74 0.00 0.00 68.15 67.17 1oty h THR 219 CO -0.07 0.00 0.29 0.74 0.37 0.00 0.00 175.52 176.84 1oty h THR 220 N -0.36 0.93 -0.84 3.16 2.02 -1.24 -1.23 112.91 115.35 1oty h THR 220 Ca 0.05 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1oty h THR 220 Cb 0.42 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 1oty h THR 220 CO -0.18 0.10 0.44 0.15 0.37 0.00 0.00 175.52 176.40 1oty h PHE 221 N 0.54 1.16 -0.19 3.16 3.04 -0.83 -1.75 116.94 122.08 1oty h PHE 221 Ca 0.26 -0.03 -0.12 0.00 3.98 0.00 0.00 57.97 62.06 1oty h PHE 221 Cb 0.20 -0.37 -0.01 0.00 2.56 0.00 0.00 35.95 38.32 1oty h PHE 221 CO -0.11 0.82 -0.39 -0.91 -2.02 0.00 0.00 178.31 175.70 1oty h ASN 222 N 1.18 0.43 -0.66 0.41 2.35 -0.83 -2.29 115.58 116.18 1oty h ASN 222 Ca 0.29 -0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 1oty h ASN 222 Cb 0.05 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 1oty h ASN 222 CO -0.04 0.78 0.31 0.44 -1.65 0.00 0.00 177.43 177.27 1oty h ASP 223 N 0.35 0.86 -0.69 5.81 3.45 -0.63 -0.75 116.42 124.81 1oty h ASP 223 Ca 0.03 -0.14 -0.06 0.00 0.43 0.00 0.00 57.03 57.30 1oty h ASP 223 Cb 0.84 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 39.36 1oty h ASP 223 CO 0.07 0.76 0.22 -0.03 -1.57 0.00 0.00 179.24 178.69 1oty h MET 224 N 0.91 1.09 -0.36 3.56 4.05 -1.08 -0.04 114.93 123.05 1oty h MET 224 Ca 0.23 -0.22 -0.09 0.00 -0.28 0.00 0.00 59.70 59.33 1oty h MET 224 Cb 0.13 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.75 1oty h MET 224 CO -0.03 0.93 -0.13 0.82 0.23 0.00 0.00 176.91 178.73 1oty h ILE 225 N 1.05 1.28 -0.17 1.77 1.08 -0.98 -1.00 117.51 120.54 1oty h ILE 225 Ca 0.23 -1.23 0.00 0.00 -0.39 0.00 0.00 64.86 63.47 1oty h ILE 225 Cb 0.29 1.33 -0.01 0.00 -3.07 0.00 0.00 36.82 35.36 1oty h ILE 225 CO -0.01 0.40 0.11 0.11 -0.69 0.00 0.00 178.15 178.07 1oty h LYS 226 N 0.51 0.23 -0.12 2.37 1.57 -0.92 0.26 116.57 120.47 1oty h LYS 226 Ca 0.08 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1oty h LYS 226 Cb 0.66 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.85 1oty h LYS 226 CO 0.04 0.18 -0.39 0.82 -0.57 0.00 0.00 179.45 179.54 1oty h ILE 227 N 0.22 0.19 -0.29 1.86 1.08 -0.88 0.66 117.51 120.35 1oty h ILE 227 Ca 0.06 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.59 1oty h ILE 227 Cb 0.01 0.19 -0.05 0.00 -3.07 0.00 0.00 36.82 33.89 1oty h ILE 227 CO -0.01 0.00 -0.04 0.00 -0.69 0.00 0.00 178.15 177.41 1oty h ALA 228 N 0.20 0.22 -0.34 1.87 0.00 -0.79 0.45 119.26 120.88 1oty h ALA 228 Ca 0.08 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1oty h ALA 228 Cb 0.61 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1oty h ALA 228 CO -0.37 -0.44 0.11 -0.07 0.00 0.00 0.00 179.25 178.47 1oty h LEU 229 N 0.04 0.49 -1.03 0.00 3.38 0.19 -2.29 115.31 116.09 1oty h LEU 229 Ca 0.14 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1oty h LEU 229 Cb 0.20 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1oty h LEU 229 CO -0.27 0.56 -0.42 -0.33 0.09 0.00 0.00 178.44 178.07 1oty h GLU 230 N 0.39 0.13 -0.44 1.13 4.39 0.61 -2.63 114.58 118.16 1oty h GLU 230 Ca 0.11 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 1oty h GLU 230 Cb 0.24 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1oty h GLU 230 CO -0.00 0.53 0.08 0.66 -1.16 0.00 0.00 179.01 179.12 1oty h SER 231 N 0.11 0.62 -0.58 1.42 4.64 0.24 -1.15 113.55 118.86 1oty h SER 231 Ca 0.01 -0.11 -0.05 0.00 -0.47 0.00 0.00 61.79 61.18 1oty h SER 231 Cb 0.79 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 1oty h SER 231 CO 0.06 0.64 0.19 0.58 -0.87 0.00 0.00 176.83 177.43 1oty h VAL 232 N 0.65 1.24 -0.66 0.95 2.07 -1.05 -0.94 116.25 118.51 1oty h VAL 232 Ca 0.14 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 1oty h VAL 232 Cb 0.28 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1oty h VAL 232 CO 0.00 0.30 0.27 -0.07 0.02 0.00 0.00 177.57 178.09 1oty h LEU 233 N 0.82 0.90 -1.12 2.57 3.38 -1.21 -1.89 115.31 118.76 1oty h LEU 233 Ca 0.19 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1oty h LEU 233 Cb 0.28 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1oty h LEU 233 CO -0.01 0.82 0.29 -0.07 0.09 0.00 0.00 178.44 179.57 1oty h LEU 234 N 0.93 0.82 -1.30 1.67 3.38 -0.97 -2.02 115.31 117.81 1oty h LEU 234 Ca 0.22 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1oty h LEU 234 Cb 0.20 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1oty h LEU 234 CO -0.02 0.71 0.02 1.23 0.09 0.00 0.00 178.44 180.47 1oty h GLY 235 N 0.99 0.52 2.00 0.83 0.00 -0.43 -1.89 103.07 105.09 1oty h GLY 235 Ca 0.22 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 1oty h GLY 235 CO -0.03 0.27 -0.28 -0.55 0.00 0.00 0.00 176.54 175.96 1oty h ASP 236 N 0.47 0.00 -0.02 0.19 3.45 -0.66 -3.52 116.42 116.34 1oty h ASP 236 Ca 0.11 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.57 1oty h ASP 236 Cb 0.28 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.05 1oty h ASP 236 CO 0.01 0.28 0.00 0.29 -1.57 0.00 0.00 179.24 178.25