#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a8r s ARG 19 N 0.00 2.60 0.36 -0.52 3.52 -0.47 -4.93 118.95 119.52 2a8r s ARG 19 Ca 0.00 -0.64 -0.26 0.00 -0.13 0.00 0.00 55.73 54.70 2a8r s ARG 19 Cb 0.00 -2.47 -0.09 0.00 -1.56 0.00 0.00 34.95 30.83 2a8r s ARG 19 CO 0.00 0.64 1.13 -0.80 -0.81 0.00 0.00 175.30 175.46 2a8r s ASN 20 N -0.82 6.79 -0.08 -2.12 -0.87 -1.26 -0.15 114.94 116.43 2a8r s ASN 20 Ca 0.12 2.28 -0.21 0.00 -1.57 0.00 0.00 52.86 53.48 2a8r s ASN 20 Cb -0.11 -2.61 0.05 0.00 -0.02 0.00 0.00 41.25 38.56 2a8r s ASN 20 CO 0.01 -0.48 0.50 -0.51 -2.57 0.00 0.00 177.10 174.05 2a8r s ILE 21 N -1.38 0.02 0.58 0.60 2.07 -0.74 -4.82 121.20 117.53 2a8r s ILE 21 Ca 0.53 -0.18 -0.16 0.00 -1.41 0.00 0.00 60.65 59.43 2a8r s ILE 21 Cb -0.30 -0.78 -0.04 0.00 0.13 0.00 0.00 42.46 41.47 2a8r s ILE 21 CO 0.38 -0.10 1.05 -0.94 -1.91 0.00 0.00 174.94 173.42 2a8r s SER 22 N -0.85 5.88 0.12 4.50 1.04 -1.26 -3.87 113.70 119.26 2a8r s SER 22 Ca -0.09 1.81 -0.30 0.00 0.48 0.00 0.00 55.95 57.85 2a8r s SER 22 Cb -0.03 -2.53 -0.08 0.00 0.10 0.00 0.00 66.02 63.48 2a8r s SER 22 CO 0.05 -1.10 1.58 -0.09 0.98 0.00 0.00 173.24 174.67 2a8r h ARG 23 N 0.54 -0.53 -0.90 4.02 2.43 -1.94 -1.52 114.38 116.47 2a8r h ARG 23 Ca -0.47 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 58.78 2a8r h ARG 23 Cb 1.22 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.84 2a8r h ARG 23 CO 0.58 -0.36 0.59 1.49 -1.51 0.00 0.00 179.97 180.76 2a8r h GLU 24 N -0.55 1.06 -0.21 0.20 4.81 -1.98 -0.77 114.58 117.14 2a8r h GLU 24 Ca 0.05 -0.06 -0.20 0.00 -0.13 0.00 0.00 59.36 59.02 2a8r h GLU 24 Cb 0.65 -0.24 0.01 0.00 0.63 0.00 0.00 28.75 29.79 2a8r h GLU 24 CO -0.35 0.70 -0.65 1.49 -0.73 0.00 0.00 179.01 179.48 2a8r h GLU 25 N 1.10 0.81 0.00 1.92 4.81 -1.91 -2.85 114.58 118.45 2a8r h GLU 25 Ca 0.37 -0.59 -0.11 0.00 -0.13 0.00 0.00 59.36 58.90 2a8r h GLU 25 Cb 0.07 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 2a8r h GLU 25 CO -0.12 1.21 -0.52 0.66 -0.73 0.00 0.00 179.01 179.51 2a8r h SER 26 N 0.55 0.00 1.46 1.04 4.64 -0.82 -2.77 113.55 117.65 2a8r h SER 26 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2a8r h SER 26 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2a8r h SER 26 CO 0.14 0.52 0.00 -0.07 -0.87 0.00 0.00 176.83 176.55 2a8r h LEU 27 N 0.00 0.00 -0.29 5.97 3.38 -1.11 -2.77 115.31 120.49 2a8r h LEU 27 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2a8r h LEU 27 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2a8r h LEU 27 CO 0.07 0.00 -0.18 0.00 0.09 0.00 0.00 178.44 178.42 2a8r n GLN 28 N -2.95 0.67 -2.38 1.13 6.02 -1.05 -4.93 117.38 113.89 2a8r n GLN 28 Ca 0.03 -0.29 -0.34 0.00 -0.01 0.00 0.00 57.00 56.38 2a8r n GLN 28 Cb 0.41 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.15 2a8r n GLN 28 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2a8r s LEU 29 N -2.54 3.76 -0.07 1.08 1.43 -1.05 -5.06 118.68 116.24 2a8r s LEU 29 Ca 0.26 1.96 0.01 0.00 -1.03 0.00 0.00 54.13 55.33 2a8r s LEU 29 Cb 0.20 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.83 2a8r s LEU 29 CO 0.50 -0.95 -0.07 -1.61 0.23 0.00 0.00 176.35 174.45 2a8r s GLU 30 N -3.41 2.74 -1.05 1.70 0.41 -1.26 -4.64 118.70 113.19 2a8r s GLU 30 Ca 0.68 -0.55 0.00 0.00 -0.41 0.00 0.00 54.97 54.68 2a8r s GLU 30 Cb -0.18 -2.58 0.00 0.00 -1.78 0.00 0.00 34.13 29.59 2a8r s GLU 30 CO 0.25 0.66 0.00 0.41 -0.49 0.00 0.00 175.26 176.09 2a8r n GLY 31 N 2.22 0.61 3.90 -1.39 0.00 -1.26 -5.03 105.19 104.24 2a8r n GLY 31 Ca -0.18 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 2a8r n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a8r s TYR 32 N -2.47 3.52 0.12 1.61 1.51 -1.26 -4.90 117.35 115.48 2a8r s TYR 32 Ca 0.00 0.32 -0.19 0.00 -1.01 0.00 0.00 57.07 56.18 2a8r s TYR 32 Cb 0.00 -1.80 -0.07 0.00 -0.11 0.00 0.00 41.96 39.98 2a8r s TYR 32 CO 0.00 0.62 0.62 0.21 -1.11 0.00 0.00 175.55 175.89 2a8r s LYS 33 N -2.07 4.22 0.08 -0.62 2.20 -0.82 -4.95 119.74 117.78 2a8r s LYS 33 Ca 0.29 0.78 0.08 0.00 -0.36 0.00 0.00 55.97 56.75 2a8r s LYS 33 Cb -0.13 -3.15 -0.04 0.00 -1.51 0.00 0.00 37.83 33.01 2a8r s LYS 33 CO 0.21 0.57 -0.18 -1.01 -0.36 0.00 0.00 175.35 174.58 2a8r s HIS 34 N -1.23 2.55 0.02 4.03 3.76 -1.26 -0.02 115.29 123.16 2a8r s HIS 34 Ca 0.33 -0.26 0.02 0.00 -0.15 0.00 0.00 55.06 55.00 2a8r s HIS 34 Cb -0.19 -1.41 -0.02 0.00 1.11 0.00 0.00 32.58 32.07 2a8r s HIS 34 CO 0.20 0.32 -0.06 0.00 -0.85 0.00 0.00 174.74 174.35 2a8r s ALA 35 N -1.03 0.45 -0.02 -1.40 0.00 -0.41 -0.94 121.76 118.40 2a8r s ALA 35 Ca 0.16 -0.54 0.07 0.00 0.00 0.00 0.00 51.96 51.66 2a8r s ALA 35 Cb -0.11 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 2a8r s ALA 35 CO 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 175.76 175.61 2a8r s HIS 37 N -0.50 -0.14 0.04 0.00 3.76 -0.83 0.52 115.29 118.13 2a8r s HIS 37 Ca 0.08 0.35 0.07 0.00 -0.15 0.00 0.00 55.06 55.41 2a8r s HIS 37 Cb -0.09 0.04 -0.02 0.00 1.11 0.00 0.00 32.58 33.61 2a8r s HIS 37 CO -0.00 -0.07 -0.21 0.00 -0.85 0.00 0.00 174.74 173.60 2a8r s ALA 38 N 0.12 1.82 -0.39 -1.40 0.00 -0.43 -0.93 121.76 120.56 2a8r s ALA 38 Ca -0.00 -1.07 -0.16 0.00 0.00 0.00 0.00 51.96 50.73 2a8r s ALA 38 Cb -0.01 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.74 2a8r s ALA 38 CO -0.00 0.42 0.37 -1.17 0.00 0.00 0.00 175.76 175.38 2a8r s LEU 39 N -1.11 4.77 -0.13 0.00 2.96 -0.34 -4.01 118.68 120.83 2a8r s LEU 39 Ca 0.08 -0.58 -0.16 0.00 -0.22 0.00 0.00 54.13 53.25 2a8r s LEU 39 Cb -0.09 -2.31 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 2a8r s LEU 39 CO 0.02 -0.46 0.39 -0.76 -1.32 0.00 0.00 176.35 174.22 2a8r s LEU 40 N 1.98 4.27 0.05 -0.68 1.43 -1.26 -1.46 118.68 123.02 2a8r s LEU 40 Ca 0.10 0.69 -0.08 0.00 -1.03 0.00 0.00 54.13 53.82 2a8r s LEU 40 Cb -0.17 -2.55 -0.00 0.00 0.03 0.00 0.00 46.19 43.49 2a8r s LEU 40 CO 0.12 0.06 0.15 -1.38 0.23 0.00 0.00 176.35 175.53 2a8r s HIS 41 N 0.46 0.15 -0.13 0.29 -3.43 -0.83 -2.58 115.29 109.22 2a8r s HIS 41 Ca 0.22 -0.47 -0.15 0.00 -0.80 0.00 0.00 55.06 53.85 2a8r s HIS 41 Cb -0.14 -0.09 0.04 0.00 -1.43 0.00 0.00 32.58 30.96 2a8r s HIS 41 CO 0.08 -0.44 0.41 0.00 -2.00 0.00 0.00 174.74 172.79 2a8r s ALA 42 N -3.02 -1.02 0.56 -1.38 0.00 -0.65 -0.47 121.76 115.78 2a8r s ALA 42 Ca -0.01 1.06 -0.20 0.00 0.00 0.00 0.00 51.96 52.81 2a8r s ALA 42 Cb 0.01 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 2a8r s ALA 42 CO -0.06 -0.21 1.21 -1.25 0.00 0.00 0.00 175.76 175.45 2a8r s PRO 43 N -0.04 3.13 -0.02 0.00 0.04 -1.26 0.82 135.00 137.68 2a8r s PRO 43 Ca -0.02 1.85 -0.03 0.00 0.04 0.00 0.00 61.00 62.84 2a8r s PRO 43 Cb -0.03 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2a8r s PRO 43 CO 0.01 -1.08 0.07 0.45 0.04 0.00 0.00 177.00 176.49 2a8r s SER 44 N -1.50 -0.01 0.00 6.66 0.15 0.27 -4.58 113.70 114.67 2a8r s SER 44 Ca 0.75 -0.00 0.25 0.00 0.70 0.00 0.00 55.95 57.64 2a8r s SER 44 Cb -0.31 0.15 0.43 0.00 -1.71 0.00 0.00 66.02 64.59 2a8r s SER 44 CO 0.34 -0.12 1.36 0.00 1.20 0.00 0.00 173.24 176.03 2a8r n GLN 45 N 2.59 0.50 -1.84 5.44 1.13 -1.26 -3.33 117.38 120.61 2a8r n GLN 45 Ca -0.16 -0.33 -0.38 0.00 -1.94 0.00 0.00 57.00 54.19 2a8r n GLN 45 Cb 0.58 -1.49 0.03 0.00 0.11 0.00 0.00 30.24 29.47 2a8r n GLN 45 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2a8r s ALA 46 N -2.73 2.89 -0.16 -1.58 0.00 -1.26 -4.86 121.76 114.06 2a8r s ALA 46 Ca 0.17 1.31 0.01 0.00 0.00 0.00 0.00 51.96 53.45 2a8r s ALA 46 Cb 0.18 -3.55 0.02 0.00 0.00 0.00 0.00 23.12 19.77 2a8r s ALA 46 CO 0.63 -1.28 -0.19 0.15 0.00 0.00 0.00 175.76 175.08 2a8r s LYS 47 N -2.82 2.75 0.20 0.00 1.02 -1.26 -1.10 119.74 118.53 2a8r s LYS 47 Ca 0.69 -0.74 -0.31 0.00 0.02 0.00 0.00 55.97 55.63 2a8r s LYS 47 Cb -0.40 -2.35 -0.11 0.00 -0.52 0.00 0.00 37.83 34.45 2a8r s LYS 47 CO 0.47 -0.16 1.60 -1.17 -0.92 0.00 0.00 175.35 175.18 2a8r s LEU 48 N 1.19 4.37 -1.62 3.17 2.96 0.50 -0.96 118.68 128.29 2a8r s LEU 48 Ca 0.01 2.73 0.00 0.00 -0.22 0.00 0.00 54.13 56.65 2a8r s LEU 48 Cb -0.14 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.95 2a8r s LEU 48 CO -0.09 -0.86 0.00 0.49 -1.32 0.00 0.00 176.35 174.57 2a8r n PHE 49 N 3.53 -0.45 -0.98 5.38 0.99 -1.26 -0.31 117.46 124.37 2a8r n PHE 49 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.58 2a8r n PHE 49 Cb 0.38 -2.96 0.00 0.00 -1.00 0.00 0.00 39.48 35.90 2a8r n PHE 49 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 2a8r n ASP 50 N -1.02 -5.19 0.00 4.37 9.92 -0.13 -4.73 116.55 119.77 2a8r n ASP 50 Ca -0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.10 2a8r n ASP 50 Cb 0.55 -2.96 0.00 0.00 -0.64 0.00 0.00 41.12 38.07 2a8r n ASP 50 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2a8r n ARG 51 N 0.21 0.00 -3.20 -1.24 1.74 -0.78 -4.92 116.66 108.47 2a8r n ARG 51 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 2a8r n ARG 51 Cb 0.39 -0.79 -0.07 0.00 -1.02 0.00 0.00 32.46 30.97 2a8r n ARG 51 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2a8r s VAL 52 N -1.89 4.97 0.05 1.55 1.01 0.57 -4.87 120.40 121.80 2a8r s VAL 52 Ca 0.00 0.33 -0.31 0.00 0.00 0.00 0.00 61.98 62.00 2a8r s VAL 52 Cb 0.00 -4.02 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 2a8r s VAL 52 CO 0.00 -0.30 1.29 -2.84 0.00 0.00 0.00 175.10 173.26 2a8r s PRO 53 N 2.50 4.36 0.21 2.72 0.02 -1.26 0.19 135.00 143.74 2a8r s PRO 53 Ca 0.20 1.88 -0.09 0.00 0.02 0.00 0.00 61.00 63.01 2a8r s PRO 53 Cb -0.15 -3.39 0.16 0.00 0.02 0.00 0.00 34.50 31.14 2a8r s PRO 53 CO 0.14 -0.39 1.83 0.82 -0.33 0.00 0.00 177.00 179.08 2a8r h ILE 54 N 4.57 1.23 0.00 2.83 1.08 -1.39 -3.45 117.51 122.38 2a8r h ILE 54 Ca -0.40 -0.57 0.00 0.00 -0.39 0.00 0.00 64.86 63.50 2a8r h ILE 54 Cb 1.20 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 35.13 2a8r h ILE 54 CO 0.85 0.26 0.00 0.54 -0.69 0.00 0.00 178.15 179.11 2a8r n ARG 55 N -4.44 0.00 -3.70 2.37 1.74 -1.21 -4.63 116.66 106.79 2a8r n ARG 55 Ca 0.07 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.01 2a8r n ARG 55 Cb 0.09 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.44 2a8r n ARG 55 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2a8r s ARG 56 N 0.00 0.64 -0.29 5.56 3.52 -1.26 -0.57 118.95 126.55 2a8r s ARG 56 Ca 0.00 0.45 -0.19 0.00 -0.13 0.00 0.00 55.73 55.86 2a8r s ARG 56 Cb 0.00 0.31 -0.02 0.00 -1.56 0.00 0.00 34.95 33.68 2a8r s ARG 56 CO 0.00 -0.12 0.55 0.08 -0.81 0.00 0.00 175.30 175.00 2a8r s VAL 57 N -0.24 5.02 -0.15 7.11 1.01 0.24 -4.85 120.40 128.54 2a8r s VAL 57 Ca -0.04 0.77 0.02 0.00 0.00 0.00 0.00 61.98 62.73 2a8r s VAL 57 Cb -0.03 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.45 2a8r s VAL 57 CO 0.03 -0.04 -0.20 -0.76 0.00 0.00 0.00 175.10 174.13 2a8r s LEU 58 N 2.42 2.23 -0.12 3.92 1.02 -1.26 -1.64 118.68 125.25 2a8r s LEU 58 Ca 0.22 -0.57 -0.14 0.00 0.02 0.00 0.00 54.13 53.66 2a8r s LEU 58 Cb -0.15 -1.49 -0.05 0.00 0.02 0.00 0.00 46.19 44.52 2a8r s LEU 58 CO 0.11 0.07 0.32 -0.76 0.02 0.00 0.00 176.35 176.11 2a8r s LEU 59 N 0.87 4.31 0.00 1.79 1.43 -1.07 -0.42 118.68 125.59 2a8r s LEU 59 Ca -0.05 0.63 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 2a8r s LEU 59 Cb -0.15 -2.43 0.00 0.00 0.03 0.00 0.00 46.19 43.64 2a8r s LEU 59 CO -0.02 0.16 0.00 0.23 0.23 0.00 0.00 176.35 176.95 2a8r n MET 60 N 3.07 0.21 -3.80 1.70 2.81 0.19 -4.52 117.12 116.78 2a8r n MET 60 Ca -0.13 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.66 2a8r n MET 60 Cb 0.52 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.95 2a8r n MET 60 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2a8r s MET 61 N -1.89 0.75 -0.09 0.03 0.23 -0.37 -1.08 119.30 116.88 2a8r s MET 61 Ca 0.00 -0.57 -0.26 0.00 -1.03 0.00 0.00 55.69 53.84 2a8r s MET 61 Cb 0.00 0.32 -0.03 0.00 -1.53 0.00 0.00 34.83 33.59 2a8r s MET 61 CO 0.00 -0.23 0.82 1.41 -2.03 0.00 0.00 175.02 174.99 2a8r s MET 62 N -2.54 4.42 0.36 3.16 -2.45 -0.85 -1.85 119.30 119.55 2a8r s MET 62 Ca -0.05 1.07 0.03 0.00 -1.25 0.00 0.00 55.69 55.48 2a8r s MET 62 Cb -0.01 -3.50 -0.02 0.00 1.25 0.00 0.00 34.83 32.56 2a8r s MET 62 CO -0.04 -0.10 0.54 1.03 1.05 0.00 0.00 175.02 177.50 2a8r s ARG 63 N 1.34 3.25 0.58 4.11 0.52 -0.22 0.19 118.95 128.71 2a8r s ARG 63 Ca 0.41 -0.61 0.31 0.00 -0.52 0.00 0.00 55.73 55.33 2a8r s ARG 63 Cb -0.18 -2.70 1.39 0.00 0.52 0.00 0.00 34.95 33.98 2a8r s ARG 63 CO 0.18 0.03 1.73 0.27 0.02 0.00 0.00 175.30 177.53 2a8r h PHE 64 N 0.72 0.00 -0.16 -0.53 -0.00 -1.15 0.07 116.94 115.89 2a8r h PHE 64 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.49 2a8r h PHE 64 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.19 2a8r h PHE 64 CO 0.46 0.00 0.00 -0.40 -0.00 0.00 0.00 178.31 178.37 2a8r n ASP 65 N -3.75 1.83 0.00 -0.68 5.68 -1.26 -4.91 116.55 113.46 2a8r n ASP 65 Ca 0.18 -1.71 0.00 0.00 -0.50 0.00 0.00 54.79 52.76 2a8r n ASP 65 Cb 1.08 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.96 2a8r n ASP 65 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2a8r n GLY 66 N 1.17 0.50 3.59 6.12 0.00 0.01 -5.05 105.19 111.54 2a8r n GLY 66 Ca 0.17 -0.41 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 2a8r n GLY 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a8r s ARG 67 N -0.79 2.16 0.34 1.61 0.52 -1.26 -4.88 118.95 116.65 2a8r s ARG 67 Ca 0.00 -1.14 -0.26 0.00 -0.52 0.00 0.00 55.73 53.81 2a8r s ARG 67 Cb 0.00 -2.26 -0.10 0.00 0.52 0.00 0.00 34.95 33.11 2a8r s ARG 67 CO 0.00 0.47 0.95 -0.51 0.02 0.00 0.00 175.30 176.23 2a8r s LEU 68 N -2.62 4.29 0.31 2.53 1.43 0.42 -1.06 118.68 123.99 2a8r s LEU 68 Ca 0.24 1.84 -0.16 0.00 -1.03 0.00 0.00 54.13 55.03 2a8r s LEU 68 Cb -0.10 -4.07 0.02 0.00 0.03 0.00 0.00 46.19 42.08 2a8r s LEU 68 CO 0.15 -0.13 0.66 -0.83 0.23 0.00 0.00 176.35 176.44 2a8r s GLY 69 N -1.65 0.32 0.20 -3.19 0.00 -0.77 -1.04 107.32 101.19 2a8r s GLY 69 Ca 0.52 -0.67 -0.03 0.00 0.00 0.00 0.00 44.72 44.53 2a8r s GLY 69 CO 0.23 -0.36 0.42 -1.36 0.00 0.00 0.00 173.10 172.04 2a8r s PHE 70 N -3.41 3.48 0.62 1.90 0.40 -1.26 -1.24 117.98 118.46 2a8r s PHE 70 Ca 0.17 0.50 -0.18 0.00 -0.60 0.00 0.00 56.93 56.82 2a8r s PHE 70 Cb -0.04 -1.98 -0.02 0.00 0.51 0.00 0.00 43.02 41.49 2a8r s PHE 70 CO 0.10 0.36 1.23 -1.25 0.70 0.00 0.00 175.22 176.35 2a8r s PRO 71 N -3.09 2.77 0.00 0.24 0.04 -1.26 -4.80 135.00 128.91 2a8r s PRO 71 Ca 0.41 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.33 2a8r s PRO 71 Cb -0.11 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2a8r s PRO 71 CO 0.27 -1.37 0.00 0.41 0.04 0.00 0.00 177.00 176.35 2a8r n GLY 72 N 0.59 0.88 0.00 0.56 0.00 -1.26 -1.31 105.19 104.64 2a8r n GLY 72 Ca 0.14 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2a8r n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a8r n GLY 73 N -0.29 -0.64 3.77 -0.02 0.00 0.18 -4.92 105.19 103.27 2a8r n GLY 73 Ca 0.00 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 2a8r n GLY 73 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a8r s PHE 74 N -3.00 3.20 -0.06 1.61 0.08 -1.26 -0.60 117.98 117.94 2a8r s PHE 74 Ca 0.00 1.57 0.02 0.00 0.12 0.00 0.00 56.93 58.64 2a8r s PHE 74 Cb 0.00 -3.39 0.02 0.00 -0.57 0.00 0.00 43.02 39.07 2a8r s PHE 74 CO 0.00 -1.17 -0.10 0.08 -0.10 0.00 0.00 175.22 173.93 2a8r s VAL 75 N -1.33 0.97 -0.59 -0.44 1.01 -0.12 -4.88 120.40 115.02 2a8r s VAL 75 Ca 0.53 -0.37 -0.23 0.00 0.00 0.00 0.00 61.98 61.91 2a8r s VAL 75 Cb -0.32 -0.92 0.06 0.00 0.00 0.00 0.00 36.38 35.20 2a8r s VAL 75 CO 0.41 0.32 0.91 -0.62 0.00 0.00 0.00 175.10 176.11 2a8r s ASP 76 N 0.80 6.25 0.29 3.32 -1.08 -1.26 -4.07 116.67 120.92 2a8r s ASP 76 Ca -0.12 -0.72 0.26 0.00 -0.52 0.00 0.00 52.55 51.45 2a8r s ASP 76 Cb -0.15 -2.41 0.83 0.00 -1.46 0.00 0.00 42.92 39.73 2a8r s ASP 76 CO 0.02 -1.28 1.75 0.71 0.52 0.00 0.00 175.17 176.90 2a8r h THR 77 N 5.98 0.00 0.00 1.71 1.35 -1.93 0.10 112.91 120.12 2a8r h THR 77 Ca -0.28 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 2a8r h THR 77 Cb 1.08 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 2a8r h THR 77 CO 1.11 0.00 0.00 0.03 -0.25 0.00 0.00 175.52 176.41 2a8r h ARG 78 N 0.00 0.00 0.00 4.72 -0.00 -2.00 -3.38 114.38 113.73 2a8r h ARG 78 Ca 0.00 0.00 -0.11 0.00 -0.50 0.00 0.00 59.98 59.37 2a8r h ARG 78 Cb 0.66 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.61 2a8r h ARG 78 CO 0.00 0.00 -1.14 -3.47 0.00 0.00 0.00 179.97 175.36 2a8r n ASP 79 N -2.32 1.49 -4.26 7.04 -0.08 -0.76 -5.09 116.55 112.57 2a8r n ASP 79 Ca 0.03 0.24 -0.14 0.00 -1.51 0.00 0.00 54.79 53.41 2a8r n ASP 79 Cb 0.32 -0.57 -0.10 0.00 2.34 0.00 0.00 41.12 43.11 2a8r n ASP 79 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2a8r s ILE 80 N -2.48 1.03 0.92 5.18 -4.36 -0.05 -5.11 121.20 116.32 2a8r s ILE 80 Ca -0.21 -2.03 -0.11 0.00 -0.26 0.00 0.00 60.65 58.04 2a8r s ILE 80 Cb 0.05 -1.98 0.14 0.00 1.25 0.00 0.00 42.46 41.92 2a8r s ILE 80 CO 0.29 -0.63 1.09 -0.94 0.24 0.00 0.00 174.94 174.99 2a8r s SER 81 N -3.19 3.20 0.24 4.36 1.04 -1.26 -4.00 113.70 114.09 2a8r s SER 81 Ca 0.20 1.66 -0.06 0.00 0.48 0.00 0.00 55.95 58.23 2a8r s SER 81 Cb 0.04 -2.31 0.29 0.00 0.10 0.00 0.00 66.02 64.14 2a8r s SER 81 CO 0.02 -2.84 1.88 -0.07 0.98 0.00 0.00 173.24 173.22 2a8r h LEU 82 N -1.69 0.96 -0.63 2.42 3.38 -1.94 -0.51 115.31 117.31 2a8r h LEU 82 Ca -0.49 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.35 2a8r h LEU 82 Cb 1.28 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2a8r h LEU 82 CO 0.51 0.65 -0.24 -0.33 0.09 0.00 0.00 178.44 179.12 2a8r h GLU 83 N 1.12 0.82 -0.21 1.13 3.07 -1.92 -1.63 114.58 116.96 2a8r h GLU 83 Ca 0.36 -0.35 -0.04 0.00 -0.50 0.00 0.00 59.36 58.83 2a8r h GLU 83 Cb 0.02 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 2a8r h GLU 83 CO -0.13 0.98 -0.04 1.49 -1.40 0.00 0.00 179.01 179.92 2a8r h GLU 84 N 0.71 0.39 -0.51 2.33 4.57 -1.78 -1.47 114.58 118.82 2a8r h GLU 84 Ca 0.09 -0.14 0.03 0.00 -1.18 0.00 0.00 59.36 58.16 2a8r h GLU 84 Cb 0.77 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.30 2a8r h GLU 84 CO 0.06 0.62 0.29 0.78 -1.18 0.00 0.00 179.01 179.59 2a8r h GLY 85 N 0.13 0.72 0.75 1.92 0.00 -1.09 -2.58 103.07 102.92 2a8r h GLY 85 Ca 0.05 -0.21 0.03 0.00 0.00 0.00 0.00 47.33 47.20 2a8r h GLY 85 CO 0.02 0.17 -0.02 -2.00 0.00 0.00 0.00 176.54 174.70 2a8r h LEU 86 N 0.57 -0.10 -0.48 3.11 5.85 -1.13 -2.36 115.31 120.78 2a8r h LEU 86 Ca 0.21 0.04 0.10 0.00 0.84 0.00 0.00 57.88 59.06 2a8r h LEU 86 Cb 0.06 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 41.07 2a8r h LEU 86 CO -0.11 -0.03 -0.13 0.50 -0.34 0.00 0.00 178.44 178.32 2a8r h LYS 87 N 0.02 -0.02 -0.67 1.25 1.63 -1.10 0.15 116.57 117.84 2a8r h LYS 87 Ca 0.07 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.80 2a8r h LYS 87 Cb 0.09 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.70 2a8r h LYS 87 CO -0.13 -0.01 0.16 0.00 -3.45 0.00 0.00 179.45 176.02 2a8r h ARG 88 N -0.02 1.07 -0.04 1.90 3.08 -1.32 -1.64 114.38 117.42 2a8r h ARG 88 Ca 0.23 -0.26 -0.18 0.00 0.07 0.00 0.00 59.98 59.84 2a8r h ARG 88 Cb 0.37 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2a8r h ARG 88 CO -0.50 0.96 -0.75 1.49 -1.07 0.00 0.00 179.97 180.10 2a8r h GLU 89 N 1.00 0.25 -0.52 0.04 4.57 -0.84 -1.96 114.58 117.11 2a8r h GLU 89 Ca 0.21 -0.22 -0.09 0.00 -1.18 0.00 0.00 59.36 58.08 2a8r h GLU 89 Cb 0.37 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 2a8r h GLU 89 CO 0.00 0.89 -0.01 -0.07 -1.18 0.00 0.00 179.01 178.63 2a8r h LEU 90 N 0.16 0.92 -0.65 1.64 3.38 -0.54 -0.92 115.31 119.30 2a8r h LEU 90 Ca -0.03 -0.31 -0.14 0.00 0.09 0.00 0.00 57.88 57.49 2a8r h LEU 90 Cb 1.32 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2a8r h LEU 90 CO 0.12 1.01 -0.42 -0.08 0.09 0.00 0.00 178.44 179.16 2a8r h GLU 91 N 0.80 0.58 -0.61 1.13 4.81 -1.16 0.63 114.58 120.76 2a8r h GLU 91 Ca 0.15 -0.30 -0.08 0.00 -0.13 0.00 0.00 59.36 58.99 2a8r h GLU 91 Cb 0.55 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 2a8r h GLU 91 CO 0.03 0.89 0.05 1.49 -0.73 0.00 0.00 179.01 180.73 2a8r h GLU 92 N 0.47 1.03 0.03 1.92 4.81 -1.27 -1.27 114.58 120.30 2a8r h GLU 92 Ca 0.04 -0.29 -0.35 0.00 -0.13 0.00 0.00 59.36 58.63 2a8r h GLU 92 Cb 0.93 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.14 2a8r h GLU 92 CO 0.08 0.98 -2.10 0.39 -0.73 0.00 0.00 179.01 177.62 2a8r n GLU 93 N -4.20 0.68 -0.08 1.92 1.02 -0.36 -1.15 120.64 118.47 2a8r n GLU 93 Ca 0.03 0.18 -0.09 0.00 -0.02 0.00 0.00 57.16 57.26 2a8r n GLU 93 Cb 0.31 -1.65 -0.13 0.00 -0.02 0.00 0.00 31.44 29.96 2a8r n GLU 93 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2a8r n LEU 94 N -3.10 0.38 0.00 -4.62 4.77 0.22 -4.72 117.00 109.93 2a8r n LEU 94 Ca -0.30 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 2a8r n LEU 94 Cb 1.07 0.26 0.00 0.00 -2.33 0.00 0.00 43.42 42.42 2a8r n LEU 94 CO 0.40 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 2a8r n GLY 95 N 2.04 1.33 0.37 -0.72 0.00 -0.48 -3.58 105.19 104.16 2a8r n GLY 95 Ca -0.28 -2.19 0.17 0.00 0.00 0.00 0.00 46.02 43.71 2a8r n GLY 95 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2a8r h PRO 96 N 0.00 0.18 -0.09 1.61 0.11 -1.82 -1.22 132.00 130.78 2a8r h PRO 96 Ca 0.00 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.12 2a8r h PRO 96 Cb 0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.07 2a8r h PRO 96 CO 0.00 0.12 0.48 0.00 -0.21 0.00 0.00 178.00 178.39 2a8r h ALA 97 N 1.72 1.59 0.00 -0.75 0.00 -1.89 0.25 119.26 120.17 2a8r h ALA 97 Ca 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2a8r h ALA 97 Cb 0.83 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2a8r h ALA 97 CO -0.05 -0.52 0.00 1.28 0.00 0.00 0.00 179.25 179.96 2a8r n LEU 98 N -2.95 0.80 0.29 0.00 7.99 -0.46 -3.01 117.00 119.66 2a8r n LEU 98 Ca 0.00 0.61 0.16 0.00 -0.01 0.00 0.00 56.01 56.77 2a8r n LEU 98 Cb 0.54 -0.39 0.93 0.00 -0.11 0.00 0.00 43.42 44.38 2a8r n LEU 98 CO 0.14 -0.31 1.13 0.00 -1.51 0.00 0.00 177.39 176.84 2a8r h ALA 99 N 2.43 1.53 -0.34 -1.18 0.00 -0.72 0.16 119.26 121.14 2a8r h ALA 99 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2a8r h ALA 99 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2a8r h ALA 99 CO 0.00 -0.04 0.00 0.25 0.00 0.00 0.00 179.25 179.46 2a8r n THR 100 N -3.79 0.45 -4.07 0.00 -2.24 -1.16 -4.89 114.28 98.57 2a8r n THR 100 Ca -0.02 -0.51 -0.32 0.00 -2.27 0.00 0.00 64.05 60.93 2a8r n THR 100 Cb 0.11 0.34 -0.15 0.00 -2.10 0.00 0.00 70.33 68.53 2a8r n THR 100 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2a8r s VAL 101 N -1.55 2.10 -0.52 2.28 1.01 0.57 -5.08 120.40 119.21 2a8r s VAL 101 Ca 0.30 -1.44 -0.17 0.00 0.00 0.00 0.00 61.98 60.66 2a8r s VAL 101 Cb 0.16 -2.14 0.09 0.00 0.00 0.00 0.00 36.38 34.48 2a8r s VAL 101 CO 0.22 0.10 0.53 -1.83 0.00 0.00 0.00 175.10 174.12 2a8r s GLU 102 N 1.17 3.03 -0.45 2.72 1.03 -1.26 -4.98 118.70 119.95 2a8r s GLU 102 Ca -0.05 -1.31 -0.19 0.00 0.03 0.00 0.00 54.97 53.45 2a8r s GLU 102 Cb -0.18 -4.19 0.04 0.00 -0.80 0.00 0.00 34.13 29.00 2a8r s GLU 102 CO -0.07 -1.24 0.54 0.08 -1.33 0.00 0.00 175.26 173.25 2a8r s VAL 103 N 2.06 4.97 0.07 1.83 1.01 -1.26 -5.04 120.40 124.03 2a8r s VAL 103 Ca 0.08 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.75 2a8r s VAL 103 Cb -0.24 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 31.98 2a8r s VAL 103 CO 0.07 -0.59 0.08 0.35 0.00 0.00 0.00 175.10 175.01 2a8r n THR 104 N 5.58 0.00 0.22 3.92 -2.24 -1.26 -4.89 114.28 115.61 2a8r n THR 104 Ca -0.06 -0.23 0.06 0.00 -2.27 0.00 0.00 64.05 61.55 2a8r n THR 104 Cb 0.47 -0.77 0.52 0.00 -2.10 0.00 0.00 70.33 68.45 2a8r n THR 104 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2a8r h GLU 105 N 0.00 0.00 0.00 -0.78 5.08 -1.99 -2.74 114.58 114.15 2a8r h GLU 105 Ca -0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2a8r h GLU 105 Cb 0.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 2a8r h GLU 105 CO 0.05 0.21 -0.05 -0.44 -1.00 0.00 0.00 179.01 177.78 2a8r h ASP 106 N 0.00 0.00 1.48 1.42 5.19 -1.99 -2.08 116.42 120.44 2a8r h ASP 106 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2a8r h ASP 106 Cb 0.41 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.92 2a8r h ASP 106 CO 0.03 0.05 -0.15 0.44 -3.12 0.00 0.00 179.24 176.49 2a8r h ASP 107 N 0.00 0.00 -3.95 6.45 3.45 -1.76 -3.47 116.42 117.15 2a8r h ASP 107 Ca -0.00 -0.03 -0.54 0.00 0.43 0.00 0.00 57.03 56.89 2a8r h ASP 107 Cb 0.14 0.00 0.11 0.00 -0.56 0.00 0.00 39.33 39.02 2a8r h ASP 107 CO 0.01 0.02 0.78 -0.47 -1.57 0.00 0.00 179.24 178.01 2a8r s TYR 108 N -3.15 2.56 0.09 4.55 6.14 -0.79 -1.45 117.35 125.31 2a8r s TYR 108 Ca 0.09 1.16 0.00 0.00 0.64 0.00 0.00 57.07 58.96 2a8r s TYR 108 Cb 0.11 -4.03 0.00 0.00 0.42 0.00 0.00 41.96 38.45 2a8r s TYR 108 CO 0.64 -3.04 0.00 0.54 0.64 0.00 0.00 175.55 174.34 2a8r n ARG 109 N 0.42 0.00 -4.02 4.97 3.00 0.07 -4.87 116.66 116.23 2a8r n ARG 109 Ca 0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 57.85 57.74 2a8r n ARG 109 Cb 0.39 -0.41 -0.04 0.00 0.00 0.00 0.00 32.46 32.40 2a8r n ARG 109 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2a8r s SER 110 N -5.81 0.24 -0.10 0.55 1.04 -1.13 -5.00 113.70 103.48 2a8r s SER 110 Ca 0.00 -1.14 -0.06 0.00 0.48 0.00 0.00 55.95 55.23 2a8r s SER 110 Cb 0.00 0.63 0.04 0.00 0.10 0.00 0.00 66.02 66.79 2a8r s SER 110 CO 0.00 -1.23 0.25 -0.44 0.98 0.00 0.00 173.24 172.80 2a8r s SER 111 N -3.10 -0.27 0.13 7.02 0.01 -1.25 -1.11 113.70 115.14 2a8r s SER 111 Ca 0.25 0.53 0.10 0.00 1.31 0.00 0.00 55.95 58.14 2a8r s SER 111 Cb -0.01 0.43 -0.04 0.00 0.21 0.00 0.00 66.02 66.61 2a8r s SER 111 CO 0.13 -0.15 -0.23 -1.10 0.41 0.00 0.00 173.24 172.30 2a8r s GLN 112 N 1.09 1.57 0.09 12.44 1.11 -0.15 -1.79 119.66 134.03 2a8r s GLN 112 Ca -0.08 -1.30 0.05 0.00 0.01 0.00 0.00 55.36 54.04 2a8r s GLN 112 Cb -0.09 -1.98 -0.03 0.00 -1.01 0.00 0.00 33.01 29.90 2a8r s GLN 112 CO -0.07 0.46 -0.13 0.54 0.01 0.00 0.00 175.29 176.09 2a8r s VAL 113 N -1.17 1.13 0.11 1.09 0.11 0.78 -0.52 120.40 121.93 2a8r s VAL 113 Ca 0.16 -1.50 -0.18 0.00 -2.93 0.00 0.00 61.98 57.53 2a8r s VAL 113 Cb -0.10 -1.27 0.04 0.00 -1.53 0.00 0.00 36.38 33.53 2a8r s VAL 113 CO 0.08 -0.36 0.45 0.00 -3.33 0.00 0.00 175.10 171.94 2a8r s ARG 114 N -2.26 1.09 -0.00 1.54 1.70 -1.26 -1.36 118.95 118.39 2a8r s ARG 114 Ca 0.03 -0.58 0.08 0.00 -0.47 0.00 0.00 55.73 54.79 2a8r s ARG 114 Cb -0.07 0.48 -0.10 0.00 -0.57 0.00 0.00 34.95 34.70 2a8r s ARG 114 CO 0.02 -0.43 0.34 0.39 -1.08 0.00 0.00 175.30 174.55 2a8r n GLU 115 N -0.11 3.81 -4.58 3.89 4.71 -1.26 -4.08 120.64 123.02 2a8r n GLU 115 Ca -0.17 -0.01 -0.23 0.00 -0.01 0.00 0.00 57.16 56.75 2a8r n GLU 115 Cb 0.63 -0.93 -0.16 0.00 -1.01 0.00 0.00 31.44 29.98 2a8r n GLU 115 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 2a8r s HIS 116 N -1.88 1.25 0.41 -0.32 3.76 -1.26 -3.37 115.29 113.88 2a8r s HIS 116 Ca 0.03 -0.32 0.15 0.00 -0.15 0.00 0.00 55.06 54.77 2a8r s HIS 116 Cb 0.06 -0.86 0.93 0.00 1.11 0.00 0.00 32.58 33.83 2a8r s HIS 116 CO 0.35 -0.11 1.93 -1.00 -0.85 0.00 0.00 174.74 175.06 2a8r h PRO 117 N 6.25 0.00 -5.13 8.40 0.13 -2.05 -3.49 132.00 136.12 2a8r h PRO 117 Ca -0.33 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.40 2a8r h PRO 117 Cb 1.17 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.07 2a8r h PRO 117 CO 0.48 0.26 -0.78 1.14 -0.23 0.00 0.00 178.00 178.88 2a8r s GLN 118 N -4.38 0.79 0.22 0.86 1.03 -1.22 -5.25 119.66 111.72 2a8r s GLN 118 Ca -0.03 -0.78 -0.30 0.00 0.04 0.00 0.00 55.36 54.28 2a8r s GLN 118 Cb 0.15 -0.75 -0.10 0.00 0.03 0.00 0.00 33.01 32.34 2a8r s GLN 118 CO 0.69 0.18 1.47 0.15 -2.54 0.00 0.00 175.29 175.24 2a8r s LYS 119 N -1.34 4.26 -0.29 9.60 -0.14 -1.22 -4.25 119.74 126.36 2a8r s LYS 119 Ca -0.02 2.30 -0.15 0.00 -1.36 0.00 0.00 55.97 56.75 2a8r s LYS 119 Cb -0.09 -3.13 0.13 0.00 -1.68 0.00 0.00 37.83 33.07 2a8r s LYS 119 CO 0.01 -0.46 0.85 0.08 -0.76 0.00 0.00 175.35 175.07 2a8r s VAL 121 N 0.32 -0.26 -0.13 3.17 1.01 0.98 -1.95 120.40 123.54 2a8r s VAL 121 Ca 0.62 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.59 2a8r s VAL 121 Cb -0.42 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 2a8r s VAL 121 CO 0.40 0.00 -0.09 0.42 0.00 0.00 0.00 175.10 175.82 2a8r s THR 122 N 1.88 3.40 -0.05 3.92 -4.23 0.32 -1.29 115.64 119.59 2a8r s THR 122 Ca -0.08 -0.54 -0.01 0.00 -1.18 0.00 0.00 61.69 59.89 2a8r s THR 122 Cb -0.06 -2.45 -0.03 0.00 1.34 0.00 0.00 72.50 71.30 2a8r s THR 122 CO -0.17 0.52 0.01 -1.00 -0.54 0.00 0.00 174.62 173.43 2a8r s HIS 123 N 0.25 3.14 -0.09 3.99 3.76 0.10 -0.98 115.29 125.47 2a8r s HIS 123 Ca -0.06 0.16 0.04 0.00 -0.15 0.00 0.00 55.06 55.04 2a8r s HIS 123 Cb -0.15 -1.74 -0.00 0.00 1.11 0.00 0.00 32.58 31.80 2a8r s HIS 123 CO 0.04 0.47 -0.23 0.12 -0.85 0.00 0.00 174.74 174.29 2a8r s PHE 124 N -0.97 2.46 0.20 1.40 5.99 -0.27 -1.97 117.98 124.82 2a8r s PHE 124 Ca 0.16 -0.95 0.10 0.00 0.00 0.00 0.00 56.93 56.24 2a8r s PHE 124 Cb -0.11 -1.65 -0.04 0.00 0.00 0.00 0.00 43.02 41.22 2a8r s PHE 124 CO 0.06 -0.37 -0.15 0.71 -0.00 0.00 0.00 175.22 175.47 2a8r s TYR 125 N 0.26 2.50 -0.05 10.12 1.51 -0.10 -0.75 117.35 130.84 2a8r s TYR 125 Ca -0.16 -0.28 -0.00 0.00 -1.01 0.00 0.00 57.07 55.63 2a8r s TYR 125 Cb -0.17 -1.21 0.03 0.00 -0.11 0.00 0.00 41.96 40.50 2a8r s TYR 125 CO 0.08 0.53 -0.01 0.42 -1.11 0.00 0.00 175.55 175.46 2a8r s ILE 126 N -1.79 0.32 -0.07 2.71 1.01 -0.53 -1.20 121.20 121.65 2a8r s ILE 126 Ca 0.24 0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.96 2a8r s ILE 126 Cb -0.08 -0.43 0.03 0.00 0.01 0.00 0.00 42.46 41.99 2a8r s ILE 126 CO 0.14 0.21 0.01 -0.75 0.00 0.00 0.00 174.94 174.55 2a8r s LYS 127 N 1.45 0.53 0.17 2.79 2.20 -0.54 -4.67 119.74 121.67 2a8r s LYS 127 Ca -0.03 0.14 -0.30 0.00 -0.36 0.00 0.00 55.97 55.41 2a8r s LYS 127 Cb -0.13 -0.93 -0.07 0.00 -1.51 0.00 0.00 37.83 35.19 2a8r s LYS 127 CO -0.03 -0.31 0.99 -2.00 -0.36 0.00 0.00 175.35 173.64 2a8r s GLU 128 N 2.00 4.73 0.35 4.03 2.12 -1.26 -1.96 118.70 128.71 2a8r s GLU 128 Ca 0.05 1.53 0.03 0.00 0.36 0.00 0.00 54.97 56.94 2a8r s GLU 128 Cb -0.12 -3.32 -0.05 0.00 0.26 0.00 0.00 34.13 30.90 2a8r s GLU 128 CO -0.05 0.29 0.08 -0.51 -0.54 0.00 0.00 175.26 174.53 2a8r s LEU 129 N -0.51 2.07 0.33 2.70 1.43 0.38 -4.94 118.68 120.15 2a8r s LEU 129 Ca 0.45 -1.49 -0.26 0.00 -1.03 0.00 0.00 54.13 51.80 2a8r s LEU 129 Cb -0.26 -0.27 -0.10 0.00 0.03 0.00 0.00 46.19 45.60 2a8r s LEU 129 CO 0.32 -0.74 0.98 -0.54 0.23 0.00 0.00 176.35 176.60 2a8r s LYS 130 N -3.84 4.53 0.19 1.70 -0.14 -1.26 -4.41 119.74 116.50 2a8r s LYS 130 Ca 0.31 1.43 -0.18 0.00 -1.36 0.00 0.00 55.97 56.17 2a8r s LYS 130 Cb 0.06 -2.83 0.15 0.00 -1.68 0.00 0.00 37.83 33.53 2a8r s LYS 130 CO 0.15 0.21 1.61 1.25 -0.76 0.00 0.00 175.35 177.80 2a8r h LEU 131 N 3.18 -0.84 -2.06 3.17 5.85 -1.91 0.16 115.31 122.86 2a8r h LEU 131 Ca -0.47 0.19 0.11 0.00 0.84 0.00 0.00 57.88 58.55 2a8r h LEU 131 Cb 1.20 0.45 -0.02 0.00 0.37 0.00 0.00 40.66 42.67 2a8r h LEU 131 CO 0.65 -0.26 0.34 1.05 -0.34 0.00 0.00 178.44 179.87 2a8r h GLU 132 N -0.12 0.00 0.23 1.25 -0.00 -1.95 0.21 114.58 114.20 2a8r h GLU 132 Ca 0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.59 2a8r h GLU 132 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.25 2a8r h GLU 132 CO -0.60 0.00 -0.11 0.93 -0.00 0.00 0.00 179.01 179.23 2a8r h GLU 133 N 0.00 -0.29 -0.48 1.06 5.08 -1.07 0.60 114.58 119.48 2a8r h GLU 133 Ca 0.18 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.64 2a8r h GLU 133 Cb 0.85 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.10 2a8r h GLU 133 CO -0.00 0.00 0.11 0.82 -1.00 0.00 0.00 179.01 178.94 2a8r h ILE 134 N -0.59 0.76 -0.68 3.13 1.08 -0.76 -0.45 117.51 120.00 2a8r h ILE 134 Ca -0.03 -0.09 -0.04 0.00 -0.39 0.00 0.00 64.86 64.32 2a8r h ILE 134 Cb 0.43 0.48 -0.03 0.00 -3.07 0.00 0.00 36.82 34.63 2a8r h ILE 134 CO 0.05 0.05 0.29 -0.33 -0.69 0.00 0.00 178.15 177.51 2a8r h GLU 135 N 0.26 1.00 -0.58 2.37 5.08 -0.86 -1.03 114.58 120.81 2a8r h GLU 135 Ca 0.24 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.36 2a8r h GLU 135 Cb 0.29 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2a8r h GLU 135 CO -0.29 0.80 0.05 -0.09 -1.00 0.00 0.00 179.01 178.48 2a8r h ARG 136 N 0.98 0.96 -0.38 2.33 2.43 -0.18 -1.10 114.38 119.41 2a8r h ARG 136 Ca 0.23 -0.26 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2a8r h ARG 136 Cb 0.17 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 2a8r h ARG 136 CO -0.02 0.92 0.23 0.82 -1.51 0.00 0.00 179.97 180.40 2a8r h ILE 137 N 0.90 1.12 -0.47 1.20 2.04 0.11 -1.07 117.51 121.34 2a8r h ILE 137 Ca 0.17 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 2a8r h ILE 137 Cb 0.46 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 2a8r h ILE 137 CO 0.02 0.13 0.16 -0.33 0.00 0.00 0.00 178.15 178.12 2a8r h GLU 138 N 0.50 0.73 -0.35 2.37 5.08 -1.09 0.26 114.58 122.08 2a8r h GLU 138 Ca 0.14 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2a8r h GLU 138 Cb 0.00 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2a8r h GLU 138 CO -0.03 0.68 0.13 0.00 -1.00 0.00 0.00 179.01 178.80 2a8r h ALA 139 N 1.01 1.58 -0.01 3.43 0.00 -0.97 -3.12 119.26 121.18 2a8r h ALA 139 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2a8r h ALA 139 Cb 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2a8r h ALA 139 CO -0.01 0.33 -0.59 0.39 0.00 0.00 0.00 179.25 179.37 2a8r n GLU 140 N -4.39 0.93 -0.19 0.00 1.02 -0.42 -4.39 120.64 113.20 2a8r n GLU 140 Ca 0.02 -0.77 0.05 0.00 -0.02 0.00 0.00 57.16 56.44 2a8r n GLU 140 Cb 0.14 -1.48 0.32 0.00 -0.02 0.00 0.00 31.44 30.40 2a8r n GLU 140 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2a8r h ALA 141 N 3.69 1.63 -0.03 0.62 0.00 -0.89 -0.66 119.26 123.62 2a8r h ALA 141 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2a8r h ALA 141 Cb 0.70 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2a8r h ALA 141 CO 0.00 0.27 0.13 -0.39 0.00 0.00 0.00 179.25 179.26 2a8r h VAL 142 N 0.83 0.11 -0.26 0.00 -1.51 -1.77 0.27 116.25 113.93 2a8r h VAL 142 Ca 0.30 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.77 2a8r h VAL 142 Cb 0.15 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 30.19 2a8r h VAL 142 CO -0.09 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.84 2a8r n ASN 143 N -3.20 2.38 -4.76 4.19 3.02 -0.25 -4.82 115.26 111.81 2a8r n ASN 143 Ca -0.02 -1.84 -0.36 0.00 -0.03 0.00 0.00 54.58 52.34 2a8r n ASN 143 Cb 0.20 -0.16 0.01 0.00 -0.61 0.00 0.00 39.78 39.22 2a8r n ASN 143 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2a8r s ALA 144 N -1.67 2.65 0.27 5.41 0.00 0.08 -4.80 121.76 123.71 2a8r s ALA 144 Ca 0.34 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.22 2a8r s ALA 144 Cb 0.19 -3.40 0.59 0.00 0.00 0.00 0.00 23.12 20.50 2a8r s ALA 144 CO 0.28 -0.93 1.74 -0.22 0.00 0.00 0.00 175.76 176.63 2a8r h LYS 145 N 1.13 0.54 -0.11 0.00 3.64 -1.80 -2.57 116.57 117.41 2a8r h LYS 145 Ca -0.50 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 2a8r h LYS 145 Cb 1.28 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 2a8r h LYS 145 CO 0.56 0.36 0.00 -0.25 -2.27 0.00 0.00 179.45 177.85 2a8r n ASP 146 N -4.92 1.38 -4.71 4.20 8.00 -0.30 -4.87 116.55 115.32 2a8r n ASP 146 Ca 0.18 -1.60 -0.42 0.00 0.71 0.00 0.00 54.79 53.66 2a8r n ASP 146 Cb 0.50 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.50 2a8r n ASP 146 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2a8r s HIS 147 N -1.87 2.88 0.00 1.24 2.46 -0.97 -1.60 115.29 117.44 2a8r s HIS 147 Ca 0.34 0.46 0.00 0.00 0.47 0.00 0.00 55.06 56.32 2a8r s HIS 147 Cb 0.18 -4.02 0.00 0.00 -0.13 0.00 0.00 32.58 28.61 2a8r s HIS 147 CO 0.28 -3.87 0.00 0.41 -2.47 0.00 0.00 174.74 169.09 2a8r n GLY 148 N 3.89 0.69 0.00 1.59 0.00 0.11 -4.86 105.19 106.61 2a8r n GLY 148 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2a8r n GLY 148 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2a8r n LEU 149 N 0.00 0.00 0.02 0.99 4.77 -0.85 -4.91 117.00 117.02 2a8r n LEU 149 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 2a8r n LEU 149 Cb 0.03 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 41.50 2a8r n LEU 149 CO 0.00 0.00 1.05 -0.33 -1.33 0.00 0.00 177.39 176.78 2a8r h GLU 150 N 0.00 0.49 -4.96 3.23 5.08 -1.80 -3.37 114.58 113.25 2a8r h GLU 150 Ca 0.00 -0.06 -0.66 0.00 -1.00 0.00 0.00 59.36 57.64 2a8r h GLU 150 Cb 0.00 -0.09 -0.26 0.00 0.50 0.00 0.00 28.75 28.90 2a8r h GLU 150 CO 0.00 0.42 -0.68 0.08 -1.00 0.00 0.00 179.01 177.83 2a8r s VAL 151 N -5.22 3.73 -0.97 3.13 1.01 -0.63 -0.86 120.40 120.60 2a8r s VAL 151 Ca -0.08 -0.40 0.23 0.00 0.00 0.00 0.00 61.98 61.73 2a8r s VAL 151 Cb 0.16 -2.74 -0.10 0.00 0.00 0.00 0.00 36.38 33.71 2a8r s VAL 151 CO 0.74 0.36 1.18 0.23 0.00 0.00 0.00 175.10 177.62 2a8r n MET 152 N 4.84 0.02 0.00 2.72 2.81 0.13 0.07 117.12 127.72 2a8r n MET 152 Ca -0.17 -0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.72 2a8r n MET 152 Cb 0.51 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 2a8r n MET 152 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2a8r n GLY 153 N 1.49 3.43 3.85 3.03 0.00 -1.22 -4.75 105.19 111.02 2a8r n GLY 153 Ca 0.05 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 2a8r n GLY 153 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a8r s LEU 154 N 0.00 4.16 0.02 0.99 1.43 -1.26 -2.01 118.68 122.01 2a8r s LEU 154 Ca 0.00 1.18 0.00 0.00 -1.03 0.00 0.00 54.13 54.28 2a8r s LEU 154 Cb 0.00 -3.80 -0.02 0.00 0.03 0.00 0.00 46.19 42.40 2a8r s LEU 154 CO 0.00 -0.10 -0.03 -0.63 0.23 0.00 0.00 176.35 175.82 2a8r s ILE 155 N -1.81 0.14 -0.10 -0.59 1.01 -0.24 -4.94 121.20 114.67 2a8r s ILE 155 Ca 0.49 -0.79 -0.04 0.00 0.00 0.00 0.00 60.65 60.31 2a8r s ILE 155 Cb -0.12 -0.26 -0.04 0.00 0.01 0.00 0.00 42.46 42.05 2a8r s ILE 155 CO 0.19 -0.41 0.05 -0.13 0.00 0.00 0.00 174.94 174.64 2a8r s ARG 156 N -1.25 3.15 -0.22 2.79 0.52 -1.26 -0.64 118.95 122.04 2a8r s ARG 156 Ca -0.13 -0.31 -0.29 0.00 -0.52 0.00 0.00 55.73 54.48 2a8r s ARG 156 Cb -0.08 -2.93 0.01 0.00 0.52 0.00 0.00 34.95 32.46 2a8r s ARG 156 CO -0.01 0.72 1.03 0.08 0.02 0.00 0.00 175.30 177.15 2a8r s VAL 157 N -0.92 4.69 0.05 3.52 1.01 0.44 -4.96 120.40 124.24 2a8r s VAL 157 Ca 0.14 2.02 -0.31 0.00 0.00 0.00 0.00 61.98 63.83 2a8r s VAL 157 Cb -0.12 -4.31 -0.08 0.00 0.00 0.00 0.00 36.38 31.88 2a8r s VAL 157 CO 0.03 -0.17 1.66 -2.84 0.00 0.00 0.00 175.10 173.78 2a8r s PRO 158 N 3.12 4.20 0.06 2.72 0.02 -1.26 -4.58 135.00 139.27 2a8r s PRO 158 Ca 0.44 2.32 0.23 0.00 0.02 0.00 0.00 61.00 64.01 2a8r s PRO 158 Cb -0.15 -3.66 0.13 0.00 0.02 0.00 0.00 34.50 30.83 2a8r s PRO 158 CO 0.07 -0.75 1.10 1.28 -0.33 0.00 0.00 177.00 178.37 2a8r n LEU 159 N 5.84 0.63 -4.92 -5.54 4.77 -1.26 -3.27 117.00 113.25 2a8r n LEU 159 Ca 0.16 0.03 -0.26 0.00 -0.03 0.00 0.00 56.01 55.91 2a8r n LEU 159 Cb 0.41 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 2a8r n LEU 159 CO 0.63 0.03 0.19 -0.72 -1.33 0.00 0.00 177.39 176.18 2a8r s TYR 160 N -3.18 3.49 -0.15 -1.77 -0.85 -1.26 -4.74 117.35 108.90 2a8r s TYR 160 Ca 0.05 0.50 -0.07 0.00 -0.52 0.00 0.00 57.07 57.02 2a8r s TYR 160 Cb 0.14 -2.00 -0.04 0.00 0.38 0.00 0.00 41.96 40.44 2a8r s TYR 160 CO 0.78 0.14 0.09 0.99 -1.52 0.00 0.00 175.55 176.04 2a8r s THR 161 N -2.20 5.08 0.89 -3.49 2.01 -1.26 -0.87 115.64 115.78 2a8r s THR 161 Ca 0.42 0.06 -0.13 0.00 0.31 0.00 0.00 61.69 62.34 2a8r s THR 161 Cb -0.10 -3.24 0.15 0.00 0.01 0.00 0.00 72.50 69.32 2a8r s THR 161 CO 0.33 0.54 1.24 -0.76 -0.69 0.00 0.00 174.62 175.28 2a8r s LEU 162 N -0.32 2.69 0.04 4.42 1.43 0.45 -4.93 118.68 122.46 2a8r s LEU 162 Ca 0.10 0.37 0.18 0.00 -1.03 0.00 0.00 54.13 53.74 2a8r s LEU 162 Cb -0.12 -2.59 0.75 0.00 0.03 0.00 0.00 46.19 44.26 2a8r s LEU 162 CO 0.01 -2.37 1.56 0.54 0.23 0.00 0.00 176.35 176.32 2a8r n ARG 163 N -3.52 0.03 0.00 1.70 1.74 -1.26 -1.34 116.66 114.01 2a8r n ARG 163 Ca 0.13 0.24 0.15 0.00 -0.77 0.00 0.00 57.85 57.60 2a8r n ARG 163 Cb 0.60 -1.56 0.73 0.00 -1.02 0.00 0.00 32.46 31.22 2a8r n ARG 163 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2a8r n ASP 164 N -1.62 0.76 0.00 0.55 3.85 -1.26 -4.94 116.55 113.88 2a8r n ASP 164 Ca 0.04 -1.25 0.00 0.00 -0.71 0.00 0.00 54.79 52.87 2a8r n ASP 164 Cb 0.20 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.97 2a8r n ASP 164 CO 0.00 0.00 0.00 -2.11 -1.01 0.00 0.00 177.20 174.08 2a8r n ARG 165 N -0.41 -0.71 0.07 0.11 -4.01 -0.45 -4.75 116.66 106.51 2a8r n ARG 165 Ca 0.21 0.18 0.00 0.00 -1.04 0.00 0.00 57.85 57.20 2a8r n ARG 165 Cb 0.23 -3.73 0.00 0.00 -3.04 0.00 0.00 32.46 25.92 2a8r n ARG 165 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 2a8r n VAL 166 N -2.56 0.49 -1.57 8.89 0.31 -1.26 -4.84 118.33 117.78 2a8r n VAL 166 Ca 0.00 0.16 -0.46 0.00 -0.01 0.00 0.00 64.34 64.03 2a8r n VAL 166 Cb 0.18 -1.07 -0.02 0.00 -0.91 0.00 0.00 33.84 32.01 2a8r n VAL 166 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2a8r n GLY 167 N 2.51 -0.30 0.00 2.92 0.00 -1.26 -1.76 105.19 107.30 2a8r n GLY 167 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2a8r n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a8r n GLY 168 N 1.55 0.51 0.17 -0.02 0.00 -1.26 -0.41 105.19 105.72 2a8r n GLY 168 Ca 0.12 -1.71 -0.05 0.00 0.00 0.00 0.00 46.02 44.38 2a8r n GLY 168 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2a8r h LEU 169 N 0.00 -0.26 -0.02 0.99 5.85 -0.99 -1.48 115.31 119.41 2a8r h LEU 169 Ca 0.00 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.85 2a8r h LEU 169 Cb 0.00 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 2a8r h LEU 169 CO 0.00 -0.09 -0.13 -0.65 -0.34 0.00 0.00 178.44 177.23 2a8r h PRO 170 N 0.05 -0.20 -0.74 5.25 0.11 -1.82 -0.40 132.00 134.25 2a8r h PRO 170 Ca 0.19 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.30 2a8r h PRO 170 Cb 0.29 0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.41 2a8r h PRO 170 CO -0.36 -0.14 0.40 0.00 -0.21 0.00 0.00 178.00 177.69 2a8r h ALA 171 N 0.76 1.31 -0.53 -0.75 0.00 -1.22 -1.72 119.26 117.12 2a8r h ALA 171 Ca 0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2a8r h ALA 171 Cb 0.28 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2a8r h ALA 171 CO -0.15 0.56 0.23 0.35 0.00 0.00 0.00 179.25 180.24 2a8r h PHE 172 N 1.04 0.74 0.00 0.00 3.04 -0.60 -3.32 116.94 117.84 2a8r h PHE 172 Ca 0.26 -0.03 -0.23 0.00 3.98 0.00 0.00 57.97 61.96 2a8r h PHE 172 Cb 0.03 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.30 2a8r h PHE 172 CO 0.01 0.56 1.27 1.28 -2.02 0.00 0.00 178.31 179.41 2a8r n LEU 173 N -4.36 3.68 -0.78 0.59 4.77 -0.22 -4.84 117.00 115.84 2a8r n LEU 173 Ca 0.04 -2.34 0.08 0.00 -0.03 0.00 0.00 56.01 53.76 2a8r n LEU 173 Cb 0.14 -0.90 -0.03 0.00 -2.33 0.00 0.00 43.42 40.30 2a8r n LEU 173 CO 0.38 0.58 -0.16 0.59 -1.33 0.00 0.00 177.39 177.44 2a8r n ASN 175 N 3.50 -3.61 -4.52 -1.43 3.02 -1.25 -5.02 115.26 105.95 2a8r n ASN 175 Ca 0.32 0.36 -0.42 0.00 -0.03 0.00 0.00 54.58 54.81 2a8r n ASN 175 Cb 0.30 -2.56 -0.09 0.00 -0.61 0.00 0.00 39.78 36.83 2a8r n ASN 175 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2a8r s ASN 176 N -4.28 6.21 0.05 6.41 3.84 -1.26 -5.02 114.94 120.89 2a8r s ASN 176 Ca 0.00 -0.41 0.02 0.00 0.21 0.00 0.00 52.86 52.68 2a8r s ASN 176 Cb 0.00 -2.22 -0.04 0.00 -0.55 0.00 0.00 41.25 38.44 2a8r s ASN 176 CO 0.00 -0.48 0.05 -0.36 -2.79 0.00 0.00 177.10 173.52 2a8r s PHE 177 N 2.14 3.15 0.18 0.43 0.40 -1.26 -0.43 117.98 122.59 2a8r s PHE 177 Ca 0.13 0.08 -0.19 0.00 -0.60 0.00 0.00 56.93 56.35 2a8r s PHE 177 Cb -0.17 -1.64 -0.08 0.00 0.51 0.00 0.00 43.02 41.65 2a8r s PHE 177 CO 0.13 0.51 0.67 -1.50 0.70 0.00 0.00 175.22 175.73 2a8r s ILE 178 N -1.29 4.64 0.00 0.64 1.10 -0.20 -4.85 121.20 121.23 2a8r s ILE 178 Ca 0.26 1.21 0.00 0.00 -0.51 0.00 0.00 60.65 61.60 2a8r s ILE 178 Cb -0.12 -3.86 0.00 0.00 0.15 0.00 0.00 42.46 38.63 2a8r s ILE 178 CO 0.18 0.28 0.00 0.61 -2.11 0.00 0.00 174.94 173.90 2a8r n GLY 179 N 0.93 2.93 1.27 1.50 0.00 -1.26 -1.43 105.19 109.14 2a8r n GLY 179 Ca -0.04 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2a8r n GLY 179 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2a8r n ASN 180 N 3.99 3.69 -0.27 1.61 5.15 -1.26 -4.69 115.26 123.48 2a8r n ASN 180 Ca 0.00 -3.31 -0.06 0.00 -0.60 0.00 0.00 54.58 50.61 2a8r n ASN 180 Cb 0.00 -0.63 0.06 0.00 -0.53 0.00 0.00 39.78 38.68 2a8r n ASN 180 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 2a8r h SER 181 N 1.74 1.07 -0.84 1.20 4.64 -1.60 0.69 113.55 120.46 2a8r h SER 181 Ca 0.15 -0.19 0.10 0.00 -0.47 0.00 0.00 61.79 61.38 2a8r h SER 181 Cb 1.77 -0.28 -0.08 0.00 -0.31 0.00 0.00 62.40 63.50 2a8r h SER 181 CO 0.42 0.98 0.48 0.50 -0.87 0.00 0.00 176.83 178.34 2a8r h LYS 182 N 1.11 0.77 -0.06 4.77 3.64 -1.84 -1.17 116.57 123.80 2a8r h LYS 182 Ca 0.25 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.40 2a8r h LYS 182 Cb 0.27 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2a8r h LYS 182 CO -0.01 0.51 -0.75 1.03 -2.27 0.00 0.00 179.45 177.96 2a8r h SER 183 N 0.80 0.40 -0.23 4.20 0.87 -1.60 -2.54 113.55 115.45 2a8r h SER 183 Ca 0.41 -0.27 -0.09 0.00 -1.23 0.00 0.00 61.79 60.61 2a8r h SER 183 Cb 0.40 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 2a8r h SER 183 CO -0.26 1.01 -0.15 1.56 -0.53 0.00 0.00 176.83 178.46 2a8r h GLN 184 N 0.22 0.65 -0.27 2.24 4.20 -0.53 -1.83 115.11 119.80 2a8r h GLN 184 Ca -0.03 -0.22 -0.11 0.00 0.06 0.00 0.00 58.65 58.35 2a8r h GLN 184 Cb 1.32 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.04 2a8r h GLN 184 CO 0.12 0.78 -0.25 1.25 -0.67 0.00 0.00 178.83 180.06 2a8r h LEU 185 N 0.59 0.69 -1.07 1.46 5.85 -1.12 -1.16 115.31 120.55 2a8r h LEU 185 Ca 0.10 -0.47 -0.06 0.00 0.84 0.00 0.00 57.88 58.29 2a8r h LEU 185 Cb 0.60 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2a8r h LEU 185 CO 0.04 1.02 -0.00 -0.07 -0.34 0.00 0.00 178.44 179.08 2a8r h LEU 186 N 0.38 0.62 -0.66 2.25 3.38 -1.37 0.78 115.31 120.69 2a8r h LEU 186 Ca 0.05 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2a8r h LEU 186 Cb 0.81 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 2a8r h LEU 186 CO 0.06 0.69 0.33 0.22 0.09 0.00 0.00 178.44 179.84 2a8r h TYR 187 N 0.62 0.94 -0.37 1.13 5.03 -1.16 -2.57 116.97 120.60 2a8r h TYR 187 Ca 0.13 -0.04 -0.13 0.00 2.58 0.00 0.00 58.73 61.27 2a8r h TYR 187 Cb 0.39 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 38.37 2a8r h TYR 187 CO 0.02 0.69 -0.29 0.00 -1.32 0.00 0.00 178.16 177.26 2a8r h ALA 188 N 1.16 0.78 -0.83 1.82 0.00 0.16 0.26 119.26 122.61 2a8r h ALA 188 Ca 0.23 -0.41 0.07 0.00 0.00 0.00 0.00 54.91 54.81 2a8r h ALA 188 Cb 0.09 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 2a8r h ALA 188 CO -0.03 0.65 0.50 -0.07 0.00 0.00 0.00 179.25 180.30 2a8r h LEU 189 N 0.68 0.76 -0.05 0.00 3.38 -0.78 0.15 115.31 119.44 2a8r h LEU 189 Ca 0.08 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2a8r h LEU 189 Cb 0.83 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 2a8r h LEU 189 CO 0.07 0.47 -0.03 0.03 0.09 0.00 0.00 178.44 179.07 2a8r h ARG 190 N 0.88 0.11 -0.97 1.13 2.47 -1.01 0.21 114.38 117.20 2a8r h ARG 190 Ca 0.38 -0.05 0.04 0.00 -1.26 0.00 0.00 59.98 59.09 2a8r h ARG 190 Cb 0.24 -0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.50 2a8r h ARG 190 CO -0.20 0.51 0.63 1.03 0.56 0.00 0.00 179.97 182.50 2a8r h SER 191 N -0.28 1.04 -0.13 7.04 0.87 0.12 -1.51 113.55 120.70 2a8r h SER 191 Ca 0.01 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2a8r h SER 191 Cb 0.47 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2a8r h SER 191 CO 0.01 0.71 0.00 0.18 -0.53 0.00 0.00 176.83 177.20 2a8r n LEU 192 N -4.45 1.52 -2.95 2.23 4.77 0.45 -4.93 117.00 113.65 2a8r n LEU 192 Ca 0.13 -0.61 -0.20 0.00 -0.03 0.00 0.00 56.01 55.30 2a8r n LEU 192 Cb 0.11 -0.08 0.06 0.00 -2.33 0.00 0.00 43.42 41.17 2a8r n LEU 192 CO 0.34 0.31 0.14 0.29 -1.33 0.00 0.00 177.39 177.15 2a8r n LYS 193 N 0.22 -5.95 0.03 3.23 4.76 -0.57 -4.92 118.16 114.96 2a8r n LYS 193 Ca 0.17 0.72 -0.19 0.00 -2.87 0.00 0.00 58.31 56.14 2a8r n LYS 193 Cb 0.32 -5.36 -0.14 0.00 -1.84 0.00 0.00 35.03 28.01 2a8r n LYS 193 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2a8r h LEU 194 N -1.95 0.41 -7.90 -0.35 3.38 -1.18 -3.47 115.31 104.25 2a8r h LEU 194 Ca -0.47 -0.74 -0.30 0.00 0.09 0.00 0.00 57.88 56.46 2a8r h LEU 194 Cb 1.31 -0.13 -0.27 0.00 0.09 0.00 0.00 40.66 41.65 2a8r h LEU 194 CO 0.48 1.65 -0.75 -0.76 0.09 0.00 0.00 178.44 179.15 2a8r s LEU 195 N -6.97 2.04 0.72 1.67 1.02 -1.18 -5.06 118.68 110.91 2a8r s LEU 195 Ca -0.16 -0.13 -0.11 0.00 0.02 0.00 0.00 54.13 53.75 2a8r s LEU 195 Cb 0.06 -0.21 0.02 0.00 0.02 0.00 0.00 46.19 46.09 2a8r s LEU 195 CO 0.82 0.02 1.07 -0.13 0.02 0.00 0.00 176.35 178.14 2a8r s ARG 196 N -0.27 2.75 0.36 1.70 0.52 -1.26 -4.46 118.95 118.28 2a8r s ARG 196 Ca 0.00 1.02 0.07 0.00 -0.52 0.00 0.00 55.73 56.31 2a8r s ARG 196 Cb -0.03 -1.96 0.78 0.00 0.52 0.00 0.00 34.95 34.26 2a8r s ARG 196 CO -0.00 -1.25 1.92 1.49 0.02 0.00 0.00 175.30 177.47 2a8r h GLU 197 N -0.82 0.71 -0.23 3.54 4.57 -1.99 0.62 114.58 120.99 2a8r h GLU 197 Ca -0.44 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 57.64 2a8r h GLU 197 Cb 1.22 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.64 2a8r h GLU 197 CO 0.55 0.47 -0.10 0.38 -1.18 0.00 0.00 179.01 179.13 2a8r h ASP 198 N 0.73 0.48 -0.99 1.04 3.04 -1.98 -0.50 116.42 118.23 2a8r h ASP 198 Ca 0.37 -0.40 0.11 0.00 -3.24 0.00 0.00 57.03 53.87 2a8r h ASP 198 Cb 0.47 -0.13 -0.08 0.00 -1.04 0.00 0.00 39.33 38.55 2a8r h ASP 198 CO -0.15 0.78 0.63 1.56 -2.04 0.00 0.00 179.24 180.02 2a8r h GLN 199 N 0.19 0.98 -0.33 4.15 4.20 -1.67 0.32 115.11 122.96 2a8r h GLN 199 Ca 0.05 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 2a8r h GLN 199 Cb 0.59 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2a8r h GLN 199 CO 0.03 0.65 -0.07 0.82 -0.67 0.00 0.00 178.83 179.59 2a8r h ILE 200 N 1.01 1.28 -0.40 2.54 2.04 -0.74 0.19 117.51 123.44 2a8r h ILE 200 Ca 0.48 -1.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.17 2a8r h ILE 200 Cb 0.43 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 2a8r h ILE 200 CO -0.25 0.36 -0.04 1.56 0.00 0.00 0.00 178.15 179.78 2a8r h GLN 201 N 0.41 0.65 0.57 2.37 1.08 -0.44 -1.84 115.11 117.90 2a8r h GLN 201 Ca 0.08 -0.17 -0.03 0.00 -1.45 0.00 0.00 58.65 57.08 2a8r h GLN 201 Cb 0.56 -0.08 0.01 0.00 -0.05 0.00 0.00 27.48 27.92 2a8r h GLN 201 CO 0.03 0.70 -0.27 1.49 -0.95 0.00 0.00 178.83 179.83 2a8r h GLU 202 N 0.61 -0.74 -0.85 1.46 4.57 -0.17 -2.21 114.58 117.26 2a8r h GLU 202 Ca 0.12 0.05 0.20 0.00 -1.18 0.00 0.00 59.36 58.55 2a8r h GLU 202 Cb 0.45 0.17 -0.12 0.00 -0.16 0.00 0.00 28.75 29.08 2a8r h GLU 202 CO 0.02 -0.44 0.33 0.28 -1.18 0.00 0.00 179.01 178.02 2a8r h VAL 203 N -0.94 0.50 -0.46 0.32 2.07 -0.82 -0.70 116.25 116.21 2a8r h VAL 203 Ca -0.08 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 2a8r h VAL 203 Cb 0.64 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 2a8r h VAL 203 CO 0.13 0.07 -0.00 -0.07 0.02 0.00 0.00 177.57 177.71 2a8r h LEU 204 N 0.37 0.73 -0.14 2.57 3.38 -1.14 -1.26 115.31 119.83 2a8r h LEU 204 Ca 0.51 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 2a8r h LEU 204 Cb 0.93 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2a8r h LEU 204 CO -0.52 0.80 0.01 0.11 0.09 0.00 0.00 178.44 178.93 2a8r h LYS 205 N 0.71 0.23 0.00 1.13 1.57 -0.59 -2.98 116.57 116.64 2a8r h LYS 205 Ca 0.14 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2a8r h LYS 205 Cb 0.44 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 2a8r h LYS 205 CO 0.02 0.43 -0.06 0.00 -0.57 0.00 0.00 179.45 179.27 2a8r h ALA 206 N 0.79 1.56 0.00 3.86 0.00 -0.93 0.10 119.26 124.64 2a8r h ALA 206 Ca 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2a8r h ALA 206 Cb 0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2a8r h ALA 206 CO 0.00 0.08 -0.20 1.03 0.00 0.00 0.00 179.25 180.16 2a8r h SER 207 N 0.00 0.00 0.00 0.00 0.87 -1.17 -3.47 113.55 109.78 2a8r h SER 207 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2a8r h SER 207 Cb 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2a8r h SER 207 CO 0.01 0.20 0.00 1.41 -0.53 0.00 0.00 176.83 177.92