#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a3r s PRO 10 N 0.00 3.60 0.85 5.56 0.04 -1.26 -4.73 135.00 139.07 2a3r s PRO 10 Ca 0.00 1.49 -0.12 0.00 0.04 0.00 0.00 61.00 62.41 2a3r s PRO 10 Cb 0.00 -2.07 0.10 0.00 0.04 0.00 0.00 34.50 32.58 2a3r s PRO 10 CO 0.00 -0.62 1.10 -1.25 0.04 0.00 0.00 177.00 176.27 2a3r s PRO 11 N -3.23 1.62 0.74 0.56 0.04 -1.26 -4.05 135.00 129.42 2a3r s PRO 11 Ca 0.70 0.65 -0.11 0.00 0.04 0.00 0.00 61.00 62.28 2a3r s PRO 11 Cb -0.20 -1.86 0.04 0.00 0.04 0.00 0.00 34.50 32.51 2a3r s PRO 11 CO 0.24 -1.95 1.08 -0.51 0.04 0.00 0.00 177.00 175.90 2a3r s LEU 12 N -5.99 2.86 0.03 -3.56 1.43 -1.26 -4.22 118.68 107.97 2a3r s LEU 12 Ca 0.62 1.43 0.07 0.00 -1.03 0.00 0.00 54.13 55.22 2a3r s LEU 12 Cb -0.16 -4.18 -0.02 0.00 0.03 0.00 0.00 46.19 41.86 2a3r s LEU 12 CO 0.55 -1.67 -0.20 -0.70 0.23 0.00 0.00 176.35 174.56 2a3r s GLU 13 N -5.12 1.40 -0.19 1.70 2.56 -0.01 -4.91 118.70 114.13 2a3r s GLU 13 Ca 0.59 -0.85 -0.09 0.00 0.00 0.00 0.00 54.97 54.62 2a3r s GLU 13 Cb -0.14 -1.46 -0.05 0.00 2.00 0.00 0.00 34.13 34.48 2a3r s GLU 13 CO 0.54 0.38 0.11 0.71 -0.56 0.00 0.00 175.26 176.45 2a3r s TYR 14 N -0.70 3.38 -0.09 5.30 1.51 -1.26 -0.67 117.35 124.82 2a3r s TYR 14 Ca 0.07 0.28 -0.01 0.00 -1.01 0.00 0.00 57.07 56.40 2a3r s TYR 14 Cb -0.08 -2.12 0.03 0.00 -0.11 0.00 0.00 41.96 39.68 2a3r s TYR 14 CO 0.01 0.30 -0.01 0.08 -1.11 0.00 0.00 175.55 174.82 2a3r s VAL 15 N 0.23 0.50 -1.52 0.71 1.01 -0.05 -4.80 120.40 116.47 2a3r s VAL 15 Ca 0.07 -0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.92 2a3r s VAL 15 Cb -0.11 -0.68 0.08 0.00 0.00 0.00 0.00 36.38 35.67 2a3r s VAL 15 CO -0.01 0.22 0.80 0.29 0.00 0.00 0.00 175.10 176.40 2a3r n LYS 16 N 5.10 -4.45 -0.97 2.72 5.02 -1.26 -0.40 118.16 123.92 2a3r n LYS 16 Ca -0.08 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 2a3r n LYS 16 Cb 0.50 -5.18 0.00 0.00 -0.02 0.00 0.00 35.03 30.33 2a3r n LYS 16 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2a3r n GLY 17 N -1.65 0.76 3.44 0.72 0.00 -1.26 -5.02 105.19 102.18 2a3r n GLY 17 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 2a3r n GLY 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a3r s VAL 18 N -3.14 3.68 0.07 1.61 1.01 0.46 -5.01 120.40 119.09 2a3r s VAL 18 Ca 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 2a3r s VAL 18 Cb 0.00 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 2a3r s VAL 18 CO 0.00 0.48 1.08 -2.84 0.00 0.00 0.00 175.10 173.81 2a3r s PRO 19 N 0.62 4.54 0.13 2.72 0.02 -1.26 -0.87 135.00 140.90 2a3r s PRO 19 Ca -0.03 1.60 -0.00 0.00 0.02 0.00 0.00 61.00 62.59 2a3r s PRO 19 Cb -0.15 -3.37 -0.04 0.00 0.02 0.00 0.00 34.50 30.96 2a3r s PRO 19 CO 0.02 -0.06 0.03 -0.51 -0.33 0.00 0.00 177.00 176.15 2a3r s LEU 20 N 0.62 2.00 0.05 -5.54 1.43 0.15 0.89 118.68 118.28 2a3r s LEU 20 Ca 0.53 -1.16 -0.29 0.00 -1.03 0.00 0.00 54.13 52.18 2a3r s LEU 20 Cb -0.26 0.19 -0.05 0.00 0.03 0.00 0.00 46.19 46.10 2a3r s LEU 20 CO 0.30 -0.66 0.92 -0.63 0.23 0.00 0.00 176.35 176.51 2a3r s ILE 21 N -3.92 4.71 0.22 -0.59 1.01 -1.26 -0.83 121.20 120.53 2a3r s ILE 21 Ca 0.21 1.95 -0.06 0.00 0.00 0.00 0.00 60.65 62.75 2a3r s ILE 21 Cb 0.07 -4.27 0.36 0.00 0.01 0.00 0.00 42.46 38.63 2a3r s ILE 21 CO 0.00 0.26 1.22 1.17 0.00 0.00 0.00 174.94 177.59 2a3r n LYS 22 N 3.27 -0.07 -0.34 2.79 4.81 -1.26 0.75 118.16 128.11 2a3r n LYS 22 Ca 0.03 1.22 0.01 0.00 -0.87 0.00 0.00 58.31 58.70 2a3r n LYS 22 Cb 0.50 -1.82 0.18 0.00 0.02 0.00 0.00 35.03 33.91 2a3r n LYS 22 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 2a3r h TYR 23 N 0.00 1.16 -0.14 5.64 0.05 -1.92 -1.42 116.97 120.35 2a3r h TYR 23 Ca 0.37 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 59.13 2a3r h TYR 23 Cb 0.57 -0.39 -0.00 0.00 1.01 0.00 0.00 36.73 37.92 2a3r h TYR 23 CO -0.60 0.66 -0.10 0.74 -1.05 0.00 0.00 178.16 177.81 2a3r h PHE 24 N 1.19 0.37 -0.82 4.88 0.04 0.08 -2.40 116.94 120.28 2a3r h PHE 24 Ca 0.38 -0.10 0.16 0.00 2.80 0.00 0.00 57.97 61.22 2a3r h PHE 24 Cb 0.04 -0.08 -0.10 0.00 2.20 0.00 0.00 35.95 38.00 2a3r h PHE 24 CO -0.00 0.67 0.36 0.00 -0.60 0.00 0.00 178.31 178.75 2a3r h ALA 25 N 0.64 1.21 -0.28 2.45 0.00 -0.73 -1.67 119.26 120.88 2a3r h ALA 25 Ca 0.03 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2a3r h ALA 25 Cb 0.59 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2a3r h ALA 25 CO 0.03 -0.20 0.05 0.93 0.00 0.00 0.00 179.25 180.06 2a3r h GLU 26 N 0.49 0.46 -0.17 0.00 5.08 -1.18 -2.93 114.58 116.33 2a3r h GLU 26 Ca 0.46 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.75 2a3r h GLU 26 Cb 0.73 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2a3r h GLU 26 CO -0.42 0.56 0.33 0.00 -1.00 0.00 0.00 179.01 178.49 2a3r h ALA 27 N 0.88 1.66 0.00 3.43 0.00 -0.78 -1.59 119.26 122.86 2a3r h ALA 27 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2a3r h ALA 27 Cb 0.32 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2a3r h ALA 27 CO 0.00 -0.42 -0.01 -0.07 0.00 0.00 0.00 179.25 178.76 2a3r h LEU 28 N 0.00 0.00 0.38 0.00 3.38 -1.33 -2.52 115.31 115.22 2a3r h LEU 28 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2a3r h LEU 28 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2a3r h LEU 28 CO -0.00 0.01 -0.18 1.23 0.09 0.00 0.00 178.44 179.58 2a3r h GLY 29 N 0.12 -0.54 0.69 0.83 0.00 -1.49 -3.23 103.07 99.44 2a3r h GLY 29 Ca -0.00 0.20 0.08 0.00 0.00 0.00 0.00 47.33 47.61 2a3r h GLY 29 CO 0.00 -0.20 0.62 -2.55 0.00 0.00 0.00 176.54 174.42 2a3r h PRO 30 N -0.63 1.03 0.00 4.80 0.11 -1.75 -2.45 132.00 133.12 2a3r h PRO 30 Ca -0.05 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.00 2a3r h PRO 30 Cb 0.40 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.27 2a3r h PRO 30 CO 0.09 0.68 0.34 -0.07 -0.21 0.00 0.00 178.00 178.83 2a3r h LEU 31 N 1.06 0.00 -0.05 2.35 3.38 -1.47 0.17 115.31 120.74 2a3r h LEU 31 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 2a3r h LEU 31 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2a3r h LEU 31 CO -0.19 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.34 2a3r n GLN 32 N -2.66 0.02 0.00 1.13 6.02 -0.92 -2.34 117.38 118.63 2a3r n GLN 32 Ca -0.02 0.20 0.09 0.00 -0.01 0.00 0.00 57.00 57.26 2a3r n GLN 32 Cb 0.38 -1.54 -0.06 0.00 1.02 0.00 0.00 30.24 30.04 2a3r n GLN 32 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2a3r n SER 33 N -1.58 1.22 -4.71 1.08 3.41 0.59 -4.98 113.62 108.64 2a3r n SER 33 Ca 0.04 -1.11 -0.43 0.00 -0.26 0.00 0.00 58.87 57.12 2a3r n SER 33 Cb 0.23 0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 64.95 2a3r n SER 33 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2a3r n PHE 34 N -0.91 2.63 -3.91 7.33 7.35 -0.99 -4.98 117.46 123.97 2a3r n PHE 34 Ca 0.05 0.17 -0.35 0.00 -0.76 0.00 0.00 57.45 56.56 2a3r n PHE 34 Cb 0.33 -2.61 -0.14 0.00 0.35 0.00 0.00 39.48 37.40 2a3r n PHE 34 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2a3r s GLN 35 N 0.61 3.30 0.44 -4.13 -1.52 -1.26 -4.80 119.66 112.30 2a3r s GLN 35 Ca 0.73 -0.67 -0.21 0.00 -1.95 0.00 0.00 55.36 53.26 2a3r s GLN 35 Cb -0.55 -3.00 -0.11 0.00 -0.22 0.00 0.00 33.01 29.13 2a3r s GLN 35 CO 0.38 -0.23 0.96 0.00 -0.25 0.00 0.00 175.29 176.16 2a3r s ALA 36 N 1.46 3.03 0.01 6.09 0.00 -1.26 -5.07 121.76 126.02 2a3r s ALA 36 Ca 0.05 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.42 2a3r s ALA 36 Cb -0.14 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 2a3r s ALA 36 CO -0.04 0.10 0.07 1.03 0.00 0.00 0.00 175.76 176.93 2a3r s ARG 37 N -3.21 3.02 0.54 0.00 0.52 -1.26 -4.98 118.95 113.58 2a3r s ARG 37 Ca 0.62 -0.53 0.21 0.00 -0.52 0.00 0.00 55.73 55.51 2a3r s ARG 37 Cb -0.09 -2.82 1.39 0.00 0.52 0.00 0.00 34.95 33.94 2a3r s ARG 37 CO 0.14 0.63 2.11 -1.35 0.02 0.00 0.00 175.30 176.85 2a3r h PRO 38 N 3.98 0.00 -0.72 3.54 0.11 -1.98 -1.64 132.00 135.30 2a3r h PRO 38 Ca -0.49 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 2a3r h PRO 38 Cb 1.18 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 2a3r h PRO 38 CO 0.63 0.00 0.12 -0.40 -0.21 0.00 0.00 178.00 178.14 2a3r n ASP 39 N -4.37 4.76 -4.87 -2.05 5.75 -1.26 -4.71 116.55 109.81 2a3r n ASP 39 Ca 0.01 -2.93 -0.30 0.00 -0.01 0.00 0.00 54.79 51.56 2a3r n ASP 39 Cb 0.25 -0.69 -0.02 0.00 -1.03 0.00 0.00 41.12 39.63 2a3r n ASP 39 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2a3r s ASP 40 N -0.73 6.46 -0.16 -1.12 1.01 -0.62 -4.16 116.67 117.34 2a3r s ASP 40 Ca 0.47 1.25 -0.00 0.00 0.71 0.00 0.00 52.55 54.98 2a3r s ASP 40 Cb 0.37 -2.38 0.04 0.00 1.01 0.00 0.00 42.92 41.96 2a3r s ASP 40 CO 0.13 -0.55 -0.08 -0.22 0.21 0.00 0.00 175.17 174.66 2a3r s LEU 41 N -4.26 1.72 -0.09 1.23 1.98 -0.79 -3.85 118.68 114.62 2a3r s LEU 41 Ca 0.53 -0.65 -0.13 0.00 -2.89 0.00 0.00 54.13 51.00 2a3r s LEU 41 Cb -0.10 -1.01 -0.05 0.00 0.66 0.00 0.00 46.19 45.69 2a3r s LEU 41 CO 0.37 -0.15 0.31 -0.22 -1.89 0.00 0.00 176.35 174.77 2a3r s LEU 42 N 1.57 4.37 -0.32 -0.68 2.96 -0.59 -1.29 118.68 124.69 2a3r s LEU 42 Ca 0.01 0.69 -0.01 0.00 -0.22 0.00 0.00 54.13 54.60 2a3r s LEU 42 Cb -0.15 -2.41 0.07 0.00 0.50 0.00 0.00 46.19 44.20 2a3r s LEU 42 CO -0.08 0.25 0.04 -0.63 -1.32 0.00 0.00 176.35 174.61 2a3r s ILE 43 N -0.45 2.96 0.02 6.68 1.01 0.15 -0.81 121.20 130.76 2a3r s ILE 43 Ca 0.19 -1.60 0.06 0.00 0.00 0.00 0.00 60.65 59.31 2a3r s ILE 43 Cb -0.14 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.49 2a3r s ILE 43 CO 0.08 -0.26 -0.17 0.21 0.00 0.00 0.00 174.94 174.80 2a3r s ASN 44 N 1.33 3.82 0.06 3.58 3.84 -0.82 -1.47 114.94 125.29 2a3r s ASN 44 Ca -0.01 -0.38 -0.26 0.00 0.21 0.00 0.00 52.86 52.41 2a3r s ASN 44 Cb -0.20 -0.65 0.09 0.00 -0.55 0.00 0.00 41.25 39.93 2a3r s ASN 44 CO -0.02 0.28 0.75 0.42 -2.79 0.00 0.00 177.10 175.74 2a3r s THR 45 N -0.87 0.00 0.28 -5.21 -4.23 -0.96 -2.92 115.64 101.73 2a3r s THR 45 Ca 0.14 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.40 2a3r s THR 45 Cb -0.10 -1.00 -0.09 0.00 1.34 0.00 0.00 72.50 72.64 2a3r s THR 45 CO 0.04 0.00 0.88 -0.47 -0.54 0.00 0.00 174.62 174.54 2a3r s TYR 46 N -3.21 3.72 0.18 3.99 5.04 -1.26 -4.16 117.35 121.66 2a3r s TYR 46 Ca 0.02 1.70 -0.32 0.00 -2.44 0.00 0.00 57.07 56.03 2a3r s TYR 46 Cb -0.01 -2.85 -0.16 0.00 0.35 0.00 0.00 41.96 39.29 2a3r s TYR 46 CO -0.09 0.28 1.01 -2.30 -1.34 0.00 0.00 175.55 173.10 2a3r n PRO 47 N 0.74 0.88 -1.44 4.97 -0.02 -1.26 -2.62 135.00 136.24 2a3r n PRO 47 Ca 0.00 0.31 -0.07 0.00 -2.02 0.00 0.00 63.50 61.72 2a3r n PRO 47 Cb 0.50 -1.70 -0.02 0.00 -0.02 0.00 0.00 33.50 32.26 2a3r n PRO 47 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2a3r n LYS 48 N 1.39 -0.51 -0.31 -0.52 4.76 -1.26 -4.91 118.16 116.80 2a3r n LYS 48 Ca 0.15 0.64 0.11 0.00 -2.87 0.00 0.00 58.31 56.35 2a3r n LYS 48 Cb 0.25 -4.47 0.28 0.00 -1.84 0.00 0.00 35.03 29.25 2a3r n LYS 48 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2a3r n SER 49 N 0.80 3.74 0.00 4.39 7.64 -1.08 -4.77 113.62 124.34 2a3r n SER 49 Ca -0.07 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 57.81 2a3r n SER 49 Cb 0.32 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 2a3r n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a3r n GLY 50 N 1.50 1.64 0.47 0.23 0.00 -1.26 -4.53 105.19 103.24 2a3r n GLY 50 Ca 0.22 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.07 2a3r n GLY 50 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2a3r h THR 51 N 0.00 0.00 -0.93 2.61 2.02 -1.91 -1.99 112.91 112.72 2a3r h THR 51 Ca 0.00 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.32 2a3r h THR 51 Cb 0.00 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.32 2a3r h THR 51 CO 0.00 0.00 0.54 0.74 0.37 0.00 0.00 175.52 177.17 2a3r h THR 52 N -0.93 0.79 0.08 3.16 2.02 -1.97 -0.45 112.91 115.61 2a3r h THR 52 Ca -0.05 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 2a3r h THR 52 Cb 0.81 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 2a3r h THR 52 CO -0.08 0.14 -0.04 -0.25 0.37 0.00 0.00 175.52 175.66 2a3r h TRP 53 N 0.78 -0.10 0.00 3.16 7.01 -1.91 -1.90 115.95 122.99 2a3r h TRP 53 Ca 0.50 -0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.45 2a3r h TRP 53 Cb 0.64 0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.73 2a3r h TRP 53 CO -0.04 0.09 -0.22 -0.24 -2.79 0.00 0.00 178.44 175.23 2a3r h VAL 54 N -0.28 0.57 -0.25 2.65 3.04 -0.99 -2.47 116.25 118.52 2a3r h VAL 54 Ca -0.01 -1.08 -0.13 0.00 -1.01 0.00 0.00 66.70 64.47 2a3r h VAL 54 Cb 0.24 1.73 -0.01 0.00 -2.01 0.00 0.00 31.29 31.24 2a3r h VAL 54 CO 0.02 0.22 -0.39 0.28 -1.01 0.00 0.00 177.57 176.69 2a3r h SER 55 N 0.00 0.61 -0.17 3.17 0.02 -0.84 -1.19 113.55 115.15 2a3r h SER 55 Ca -0.00 -0.26 -0.10 0.00 -0.84 0.00 0.00 61.79 60.59 2a3r h SER 55 Cb 0.71 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 2a3r h SER 55 CO 0.03 0.93 -0.27 -0.61 -1.14 0.00 0.00 176.83 175.77 2a3r h GLN 56 N 0.48 0.48 -0.23 3.45 5.75 -1.01 -1.50 115.11 122.52 2a3r h GLN 56 Ca 0.04 -0.29 0.02 0.00 -0.15 0.00 0.00 58.65 58.28 2a3r h GLN 56 Cb 0.89 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.44 2a3r h GLN 56 CO 0.08 0.89 0.08 0.82 -2.65 0.00 0.00 178.83 178.05 2a3r h ILE 57 N 0.12 0.95 -0.50 2.39 2.04 -1.38 -1.51 117.51 119.62 2a3r h ILE 57 Ca 0.01 -0.07 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 2a3r h ILE 57 Cb 0.84 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 2a3r h ILE 57 CO 0.06 0.04 0.03 -0.07 0.00 0.00 0.00 178.15 178.21 2a3r h LEU 58 N 0.19 0.78 -0.83 1.44 3.38 -1.19 -1.78 115.31 117.30 2a3r h LEU 58 Ca 0.10 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 2a3r h LEU 58 Cb 0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2a3r h LEU 58 CO -0.10 0.83 -0.44 -0.78 0.09 0.00 0.00 178.44 178.04 2a3r h ASP 59 N 0.77 0.34 -0.40 -0.43 3.58 -1.08 -1.91 116.42 117.29 2a3r h ASP 59 Ca 0.15 -0.15 -0.11 0.00 0.42 0.00 0.00 57.03 57.35 2a3r h ASP 59 Cb 0.42 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 2a3r h ASP 59 CO 0.02 0.74 -0.16 0.24 -2.88 0.00 0.00 179.24 177.19 2a3r h MET 60 N 0.26 0.82 -0.65 0.28 2.86 -0.92 -0.21 114.93 117.37 2a3r h MET 60 Ca 0.02 -0.34 -0.03 0.00 -2.06 0.00 0.00 59.70 57.29 2a3r h MET 60 Cb 0.88 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.48 2a3r h MET 60 CO 0.07 0.97 0.31 0.82 1.06 0.00 0.00 176.91 180.14 2a3r h ILE 61 N 0.63 1.23 -0.09 -1.22 2.04 -1.16 0.44 117.51 119.38 2a3r h ILE 61 Ca 0.09 -0.65 -0.08 0.00 1.00 0.00 0.00 64.86 65.23 2a3r h ILE 61 Cb 0.71 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 2a3r h ILE 61 CO 0.05 0.26 -0.30 1.88 0.00 0.00 0.00 178.15 180.05 2a3r h TYR 62 N 0.91 0.19 -0.38 1.37 -1.99 -1.19 -2.03 116.97 113.84 2a3r h TYR 62 Ca 0.22 -0.04 -0.04 0.00 2.00 0.00 0.00 58.73 60.87 2a3r h TYR 62 Cb 0.13 -0.05 -0.03 0.00 2.00 0.00 0.00 36.73 38.79 2a3r h TYR 62 CO 0.00 0.46 0.06 1.04 -0.00 0.00 0.00 178.16 179.72 2a3r n GLN 63 N -4.13 3.08 -1.19 4.88 1.13 -0.10 -4.89 117.38 116.15 2a3r n GLN 63 Ca -0.01 -1.84 -0.09 0.00 -1.94 0.00 0.00 57.00 53.12 2a3r n GLN 63 Cb 0.38 -1.92 -0.04 0.00 0.11 0.00 0.00 30.24 28.78 2a3r n GLN 63 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2a3r n GLY 64 N 0.25 0.83 0.82 1.08 0.00 -0.76 -1.33 105.19 106.08 2a3r n GLY 64 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2a3r n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a3r n GLY 65 N 0.30 0.79 3.61 -0.02 0.00 0.15 -4.99 105.19 105.03 2a3r n GLY 65 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 2a3r n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2a3r s ASP 66 N -2.03 6.71 0.29 1.61 -1.08 -0.44 -4.93 116.67 116.80 2a3r s ASP 66 Ca 0.00 0.64 0.04 0.00 -0.52 0.00 0.00 52.55 52.71 2a3r s ASP 66 Cb 0.00 -2.47 0.45 0.00 -1.46 0.00 0.00 42.92 39.43 2a3r s ASP 66 CO 0.00 -0.86 1.73 -0.07 0.52 0.00 0.00 175.17 176.49 2a3r h LEU 67 N 10.08 0.40 -1.50 -1.34 3.38 -1.96 -2.82 115.31 121.55 2a3r h LEU 67 Ca -0.23 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 2a3r h LEU 67 Cb 1.08 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 2a3r h LEU 67 CO 0.99 0.68 -0.12 -0.08 0.09 0.00 0.00 178.44 180.00 2a3r h GLU 68 N 0.35 0.00 0.06 1.13 4.57 -1.98 -1.13 114.58 117.58 2a3r h GLU 68 Ca 0.05 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 57.94 2a3r h GLU 68 Cb 0.69 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.26 2a3r h GLU 68 CO 0.05 0.12 -1.48 0.87 -1.18 0.00 0.00 179.01 177.39 2a3r h LYS 69 N 0.00 0.14 0.00 1.92 1.57 -1.89 -3.24 116.57 115.06 2a3r h LYS 69 Ca -0.00 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2a3r h LYS 69 Cb 0.54 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2a3r h LYS 69 CO 0.02 0.94 0.00 0.00 -0.57 0.00 0.00 179.45 179.84 2a3r n ASN 71 N -2.90 0.52 -0.07 0.00 4.05 -0.47 -4.23 115.26 112.16 2a3r n ASN 71 Ca 0.02 0.32 0.23 0.00 0.45 0.00 0.00 54.58 55.60 2a3r n ASN 71 Cb 0.35 -0.33 0.49 0.00 1.23 0.00 0.00 39.78 41.52 2a3r n ASN 71 CO 0.00 0.00 0.00 0.08 -3.05 0.00 0.00 177.26 174.29 2a3r h ARG 72 N 0.00 0.00 0.00 1.20 0.11 -1.45 -3.44 114.38 110.80 2a3r h ARG 72 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2a3r h ARG 72 Cb 0.64 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.72 2a3r h ARG 72 CO 0.00 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.07 2a3r n ALA 73 N -2.19 0.00 -1.56 0.08 0.00 -1.26 -5.10 120.51 110.49 2a3r n ALA 73 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.26 2a3r n ALA 73 Cb 1.23 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.73 2a3r n ALA 73 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2a3r s PRO 74 N -2.00 2.61 0.26 0.00 0.02 -1.26 -4.73 135.00 129.90 2a3r s PRO 74 Ca 0.00 1.74 -0.02 0.00 0.02 0.00 0.00 61.00 62.74 2a3r s PRO 74 Cb 0.00 -1.89 0.53 0.00 0.02 0.00 0.00 34.50 33.16 2a3r s PRO 74 CO 0.00 -1.47 1.73 -0.84 -0.33 0.00 0.00 177.00 176.09 2a3r h ILE 75 N 0.28 0.62 0.00 2.83 -0.00 -1.64 0.38 117.51 119.99 2a3r h ILE 75 Ca -0.49 -0.16 0.00 0.00 -0.00 0.00 0.00 64.86 64.22 2a3r h ILE 75 Cb 1.29 0.12 0.00 0.00 -0.00 0.00 0.00 36.82 38.23 2a3r h ILE 75 CO 0.53 0.08 0.00 0.00 -0.00 0.00 0.00 178.15 178.76 2a3r n TYR 76 N -5.00 0.00 -0.07 0.16 0.18 -1.26 0.13 117.16 111.31 2a3r n TYR 76 Ca 0.16 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.87 2a3r n TYR 76 Cb 0.47 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.34 2a3r n TYR 76 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 2a3r n VAL 77 N -1.00 0.86 0.11 -3.48 0.31 0.12 -4.17 118.33 111.09 2a3r n VAL 77 Ca 0.10 -0.45 -0.22 0.00 -0.01 0.00 0.00 64.34 63.75 2a3r n VAL 77 Cb 0.04 -0.82 -0.14 0.00 -0.91 0.00 0.00 33.84 32.02 2a3r n VAL 77 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2a3r h ARG 78 N 0.00 0.54 -3.36 5.55 3.08 0.03 -3.38 114.38 116.84 2a3r h ARG 78 Ca -0.34 -0.80 -0.65 0.00 0.07 0.00 0.00 59.98 58.26 2a3r h ARG 78 Cb 1.67 0.28 -0.39 0.00 0.08 0.00 0.00 29.97 31.61 2a3r h ARG 78 CO -0.01 1.37 -0.51 0.08 -1.07 0.00 0.00 179.97 179.83 2a3r s VAL 79 N -2.82 3.07 0.38 2.04 1.01 0.35 -4.68 120.40 119.75 2a3r s VAL 79 Ca -0.08 -3.49 -0.26 0.00 0.00 0.00 0.00 61.98 58.15 2a3r s VAL 79 Cb 0.05 -3.04 -0.11 0.00 0.00 0.00 0.00 36.38 33.28 2a3r s VAL 79 CO 0.93 -0.89 1.08 -2.65 0.00 0.00 0.00 175.10 173.58 2a3r n PRO 80 N 2.88 1.54 -3.11 2.72 -0.02 -1.23 -4.38 135.00 133.40 2a3r n PRO 80 Ca 0.10 0.55 -0.44 0.00 -2.02 0.00 0.00 63.50 61.69 2a3r n PRO 80 Cb 0.34 -2.09 -0.06 0.00 -0.02 0.00 0.00 33.50 31.68 2a3r n PRO 80 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2a3r s PHE 81 N -1.20 3.00 0.09 6.00 2.19 -1.26 -0.45 117.98 126.36 2a3r s PHE 81 Ca 0.61 -0.54 -0.18 0.00 0.33 0.00 0.00 56.93 57.14 2a3r s PHE 81 Cb -0.58 -3.68 -0.04 0.00 -1.31 0.00 0.00 43.02 37.41 2a3r s PHE 81 CO 0.58 -1.12 1.31 -0.11 1.83 0.00 0.00 175.22 177.72 2a3r n LEU 82 N 6.37 -0.62 0.13 6.12 7.94 0.52 -2.09 117.00 135.36 2a3r n LEU 82 Ca -0.06 1.45 0.13 0.00 -1.11 0.00 0.00 56.01 56.42 2a3r n LEU 82 Cb 0.45 -0.34 0.46 0.00 0.53 0.00 0.00 43.42 44.52 2a3r n LEU 82 CO 0.56 -1.05 0.87 -0.33 -1.11 0.00 0.00 177.39 176.33 2a3r h GLU 83 N 0.00 0.00 -6.34 1.96 3.07 -1.94 -3.29 114.58 108.04 2a3r h GLU 83 Ca 0.09 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 58.30 2a3r h GLU 83 Cb 0.24 0.00 0.06 0.00 -0.84 0.00 0.00 28.75 28.21 2a3r h GLU 83 CO -0.55 0.00 0.52 1.55 -1.40 0.00 0.00 179.01 179.13 2a3r n VAL 84 N -2.31 0.10 -2.78 3.13 3.14 -0.89 -4.61 118.33 114.11 2a3r n VAL 84 Ca 0.04 -0.02 -0.10 0.00 -2.96 0.00 0.00 64.34 61.29 2a3r n VAL 84 Cb 0.32 -1.00 0.05 0.00 -1.06 0.00 0.00 33.84 32.16 2a3r n VAL 84 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2a3r n ASN 85 N 2.67 -0.15 -4.82 6.55 5.15 -1.26 -0.86 115.26 122.54 2a3r n ASN 85 Ca 0.18 -2.82 -0.33 0.00 -0.60 0.00 0.00 54.58 51.00 2a3r n ASN 85 Cb 0.22 0.24 -0.04 0.00 -0.53 0.00 0.00 39.78 39.66 2a3r n ASN 85 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2a3r s ASP 86 N -2.19 6.55 -0.09 1.20 -0.00 -1.26 -4.78 116.67 116.10 2a3r s ASP 86 Ca 0.27 1.74 -0.29 0.00 -0.00 0.00 0.00 52.55 54.27 2a3r s ASP 86 Cb 0.40 -2.54 -0.05 0.00 -0.00 0.00 0.00 42.92 40.73 2a3r s ASP 86 CO -0.03 -0.64 1.68 -2.84 -0.00 0.00 0.00 175.17 173.34 2a3r s PRO 87 N -3.54 4.08 0.00 8.23 0.02 -1.26 -3.03 135.00 139.50 2a3r s PRO 87 Ca 0.63 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.75 2a3r s PRO 87 Cb -0.12 -4.01 0.00 0.00 0.02 0.00 0.00 34.50 30.39 2a3r s PRO 87 CO 0.23 -0.97 0.00 0.41 -0.33 0.00 0.00 177.00 176.33 2a3r n GLY 88 N 4.29 0.48 3.28 0.52 0.00 -1.26 -5.06 105.19 107.45 2a3r n GLY 88 Ca 0.18 -0.84 -0.14 0.00 0.00 0.00 0.00 46.02 45.22 2a3r n GLY 88 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a3r s GLU 89 N -3.59 0.73 0.21 1.61 0.41 -1.17 -5.13 118.70 111.78 2a3r s GLU 89 Ca 0.00 -0.13 -0.31 0.00 -0.41 0.00 0.00 54.97 54.12 2a3r s GLU 89 Cb 0.00 0.33 -0.10 0.00 -1.78 0.00 0.00 34.13 32.58 2a3r s GLU 89 CO 0.00 -0.21 1.55 -2.14 -0.49 0.00 0.00 175.26 173.97 2a3r s PRO 90 N -1.34 4.20 0.92 0.39 0.02 -1.26 -4.62 135.00 133.32 2a3r s PRO 90 Ca -0.13 2.41 -0.11 0.00 0.02 0.00 0.00 61.00 63.19 2a3r s PRO 90 Cb -0.04 -3.11 0.12 0.00 0.02 0.00 0.00 34.50 31.49 2a3r s PRO 90 CO 0.05 -0.57 0.97 -1.13 -0.33 0.00 0.00 177.00 175.99 2a3r n SER 91 N 3.23 -0.23 -0.13 2.53 3.41 -1.26 -4.72 113.62 116.45 2a3r n SER 91 Ca 0.11 0.40 -0.10 0.00 -0.26 0.00 0.00 58.87 59.02 2a3r n SER 91 Cb 0.38 -1.41 -0.02 0.00 -0.26 0.00 0.00 64.21 62.90 2a3r n SER 91 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2a3r h GLY 92 N -1.80 0.65 0.77 5.00 0.00 -1.14 -0.94 103.07 105.62 2a3r h GLY 92 Ca -0.43 -0.43 0.07 0.00 0.00 0.00 0.00 47.33 46.54 2a3r h GLY 92 CO 0.39 0.40 0.63 -2.00 0.00 0.00 0.00 176.54 175.96 2a3r h LEU 93 N 0.45 0.99 0.62 3.11 6.46 -1.82 -1.15 115.31 123.97 2a3r h LEU 93 Ca 0.11 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.85 2a3r h LEU 93 Cb 0.35 -0.20 0.01 0.00 -0.73 0.00 0.00 40.66 40.08 2a3r h LEU 93 CO 0.01 0.63 -0.30 -0.08 -0.62 0.00 0.00 178.44 178.08 2a3r h GLU 94 N 1.12 -0.80 -0.48 1.25 4.57 -1.83 -2.70 114.58 115.71 2a3r h GLU 94 Ca 0.42 0.05 0.14 0.00 -1.18 0.00 0.00 59.36 58.79 2a3r h GLU 94 Cb 0.19 0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 2a3r h GLU 94 CO -0.17 -0.49 0.39 1.15 -1.18 0.00 0.00 179.01 178.71 2a3r h THR 95 N -0.99 0.61 0.00 0.32 2.02 -0.76 -0.95 112.91 113.16 2a3r h THR 95 Ca -0.08 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.04 2a3r h THR 95 Cb 0.68 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 2a3r h THR 95 CO 0.14 0.00 -0.27 -0.07 0.37 0.00 0.00 175.52 175.69 2a3r h LEU 96 N 0.00 0.00 -1.20 2.58 3.38 -0.91 -3.13 115.31 116.03 2a3r h LEU 96 Ca 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 2a3r h LEU 96 Cb 1.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 2a3r h LEU 96 CO -0.00 0.27 0.28 0.07 0.09 0.00 0.00 178.44 179.14 2a3r h LYS 97 N 0.00 0.84 -0.70 1.13 2.10 -0.93 -2.76 116.57 116.25 2a3r h LYS 97 Ca -0.00 -0.11 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 2a3r h LYS 97 Cb 0.98 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.16 2a3r h LYS 97 CO 0.03 0.65 0.00 -0.25 -2.00 0.00 0.00 179.45 177.89 2a3r n ASP 98 N -4.35 4.30 -4.73 7.07 8.00 -1.20 -4.94 116.55 120.70 2a3r n ASP 98 Ca 0.05 -2.19 -0.39 0.00 0.71 0.00 0.00 54.79 52.97 2a3r n ASP 98 Cb 0.13 -0.53 -0.05 0.00 -0.02 0.00 0.00 41.12 40.66 2a3r n ASP 98 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2a3r s THR 99 N -1.36 5.01 0.04 -3.53 2.01 -1.04 -5.03 115.64 111.73 2a3r s THR 99 Ca 0.50 1.34 -0.30 0.00 0.31 0.00 0.00 61.69 63.54 2a3r s THR 99 Cb 0.29 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 2a3r s THR 99 CO 0.30 0.31 1.17 -2.84 -0.69 0.00 0.00 174.62 172.86 2a3r s PRO 100 N 0.48 4.44 0.62 4.92 0.02 -1.26 -4.93 135.00 139.29 2a3r s PRO 100 Ca 0.34 1.71 -0.17 0.00 0.02 0.00 0.00 61.00 62.90 2a3r s PRO 100 Cb -0.18 -3.39 -0.02 0.00 0.02 0.00 0.00 34.50 30.94 2a3r s PRO 100 CO 0.17 -0.25 1.18 -2.14 -0.33 0.00 0.00 177.00 175.63 2a3r s PRO 101 N 1.18 2.83 0.27 5.54 0.02 -1.26 -3.91 135.00 139.68 2a3r s PRO 101 Ca 0.57 1.70 -0.29 0.00 0.02 0.00 0.00 61.00 63.01 2a3r s PRO 101 Cb -0.28 -1.92 -0.09 0.00 0.02 0.00 0.00 34.50 32.22 2a3r s PRO 101 CO 0.28 -1.29 0.96 -1.25 -0.33 0.00 0.00 177.00 175.38 2a3r s PRO 102 N -3.57 4.75 0.17 5.54 0.04 -1.26 -5.15 135.00 135.52 2a3r s PRO 102 Ca 0.74 1.49 -0.01 0.00 0.04 0.00 0.00 61.00 63.26 2a3r s PRO 102 Cb -0.27 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 2a3r s PRO 102 CO 0.36 0.41 0.36 1.03 0.04 0.00 0.00 177.00 179.20 2a3r s ARG 103 N -1.46 3.52 -0.19 4.56 0.52 -1.25 -5.02 118.95 119.63 2a3r s ARG 103 Ca 0.44 -0.33 -0.00 0.00 -0.52 0.00 0.00 55.73 55.32 2a3r s ARG 103 Cb -0.25 -2.87 0.01 0.00 0.52 0.00 0.00 34.95 32.36 2a3r s ARG 103 CO 0.31 0.45 -0.16 -0.51 0.02 0.00 0.00 175.30 175.40 2a3r s LEU 104 N -3.10 2.32 -0.05 2.53 1.43 -1.26 -1.88 118.68 118.66 2a3r s LEU 104 Ca 0.38 -0.58 0.04 0.00 -1.03 0.00 0.00 54.13 52.94 2a3r s LEU 104 Cb -0.11 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 2a3r s LEU 104 CO 0.28 0.00 -0.16 -0.63 0.23 0.00 0.00 176.35 176.07 2a3r s ILE 105 N 1.30 2.88 -0.01 -0.59 1.01 -0.41 -3.53 121.20 121.84 2a3r s ILE 105 Ca 0.04 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.93 2a3r s ILE 105 Cb -0.13 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 2a3r s ILE 105 CO -0.10 0.59 -0.05 -0.75 0.00 0.00 0.00 174.94 174.63 2a3r s LYS 106 N -0.65 2.65 -0.04 2.79 2.20 0.40 0.32 119.74 127.41 2a3r s LYS 106 Ca 0.10 -0.65 -0.29 0.00 -0.36 0.00 0.00 55.97 54.76 2a3r s LYS 106 Cb -0.11 -2.57 0.10 0.00 -1.51 0.00 0.00 37.83 33.75 2a3r s LYS 106 CO 0.01 0.62 0.84 0.45 -0.36 0.00 0.00 175.35 176.91 2a3r s SER 107 N -1.32 -0.46 0.00 1.43 0.15 -0.54 -0.36 113.70 112.61 2a3r s SER 107 Ca 0.17 0.29 0.00 0.00 0.70 0.00 0.00 55.95 57.11 2a3r s SER 107 Cb -0.11 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 2a3r s SER 107 CO 0.07 -0.57 0.55 1.41 1.20 0.00 0.00 173.24 175.89 2a3r n HIS 108 N 0.30 0.00 -1.77 3.44 8.25 -1.26 -2.26 115.22 121.93 2a3r n HIS 108 Ca -0.12 -0.03 -0.41 0.00 -0.26 0.00 0.00 57.72 56.89 2a3r n HIS 108 Cb 0.60 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.70 2a3r n HIS 108 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2a3r n LEU 109 N -0.01 4.76 -4.84 2.41 4.77 -1.26 -4.77 117.00 118.06 2a3r n LEU 109 Ca 0.00 1.22 -0.32 0.00 -0.03 0.00 0.00 56.01 56.88 2a3r n LEU 109 Cb 0.03 -1.62 0.01 0.00 -2.33 0.00 0.00 43.42 39.51 2a3r n LEU 109 CO 0.00 0.18 0.71 -2.84 -1.33 0.00 0.00 177.39 174.11 2a3r s PRO 110 N -1.84 3.44 0.36 3.23 0.02 -1.26 -4.78 135.00 134.17 2a3r s PRO 110 Ca 0.55 0.94 0.14 0.00 0.02 0.00 0.00 61.00 62.65 2a3r s PRO 110 Cb -0.48 -2.06 0.99 0.00 0.02 0.00 0.00 34.50 32.98 2a3r s PRO 110 CO 0.61 -0.70 1.75 -0.07 -0.33 0.00 0.00 177.00 178.26 2a3r h LEU 111 N -0.01 0.57 -1.70 -5.54 3.38 -1.94 0.85 115.31 110.91 2a3r h LEU 111 Ca -0.45 0.11 0.08 0.00 0.09 0.00 0.00 57.88 57.71 2a3r h LEU 111 Cb 1.20 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 2a3r h LEU 111 CO 0.60 0.10 0.35 0.00 0.09 0.00 0.00 178.44 179.57 2a3r h ALA 112 N 1.68 2.03 -0.01 1.53 0.00 -1.98 -2.68 119.26 119.83 2a3r h ALA 112 Ca 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.52 2a3r h ALA 112 Cb 1.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2a3r h ALA 112 CO -0.39 -0.14 -0.27 1.28 0.00 0.00 0.00 179.25 179.73 2a3r n LEU 113 N -4.47 1.86 -4.73 0.00 4.77 0.22 -4.99 117.00 109.66 2a3r n LEU 113 Ca 0.08 -0.82 -0.42 0.00 -0.03 0.00 0.00 56.01 54.83 2a3r n LEU 113 Cb 0.34 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 2a3r n LEU 113 CO 0.34 0.35 0.90 -0.22 -1.33 0.00 0.00 177.39 177.43 2a3r s LEU 114 N -1.95 4.42 0.01 2.23 2.96 -0.74 -4.93 118.68 120.68 2a3r s LEU 114 Ca 0.15 2.16 -0.34 0.00 -0.22 0.00 0.00 54.13 55.88 2a3r s LEU 114 Cb 0.14 -3.59 -0.12 0.00 0.50 0.00 0.00 46.19 43.11 2a3r s LEU 114 CO 0.38 -0.43 1.76 -2.65 -1.32 0.00 0.00 176.35 174.10 2a3r n PRO 115 N 3.14 2.19 -0.24 0.98 -0.02 -1.26 -4.87 135.00 134.91 2a3r n PRO 115 Ca 0.07 0.80 0.22 0.00 -2.02 0.00 0.00 63.50 62.57 2a3r n PRO 115 Cb 0.45 -2.62 0.57 0.00 -0.02 0.00 0.00 33.50 31.88 2a3r n PRO 115 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2a3r h GLN 116 N 7.95 0.29 -0.92 -0.52 5.75 -1.95 -2.08 115.11 123.64 2a3r h GLN 116 Ca -0.47 -0.02 0.20 0.00 -0.15 0.00 0.00 58.65 58.22 2a3r h GLN 116 Cb 1.26 -0.07 -0.07 0.00 1.07 0.00 0.00 27.48 29.68 2a3r h GLN 116 CO 0.92 0.19 0.60 0.00 -2.65 0.00 0.00 178.83 177.90 2a3r h THR 117 N 0.30 0.67 -0.40 2.39 1.03 -1.89 0.32 112.91 115.33 2a3r h THR 117 Ca 0.48 -0.15 -0.07 0.00 -0.01 0.00 0.00 66.41 66.66 2a3r h THR 117 Cb 1.38 0.20 -0.02 0.00 -1.07 0.00 0.00 68.15 68.64 2a3r h THR 117 CO -0.15 0.08 -0.06 -0.07 -0.01 0.00 0.00 175.52 175.31 2a3r h LEU 118 N 0.43 0.64 0.00 0.00 3.38 -1.74 -1.06 115.31 116.96 2a3r h LEU 118 Ca 0.48 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 2a3r h LEU 118 Cb 1.16 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2a3r h LEU 118 CO -0.19 0.75 -0.00 -0.07 0.09 0.00 0.00 178.44 179.02 2a3r h LEU 119 N 0.62 -0.00 -0.41 1.67 3.38 -1.17 -2.64 115.31 116.76 2a3r h LEU 119 Ca 0.12 -0.95 0.08 0.00 0.09 0.00 0.00 57.88 57.22 2a3r h LEU 119 Cb 0.47 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.14 2a3r h LEU 119 CO 0.02 0.96 -0.11 0.44 0.09 0.00 0.00 178.44 179.84 2a3r h ASP 120 N -0.97 -0.40 0.00 -0.43 3.32 -1.04 0.20 116.42 117.11 2a3r h ASP 120 Ca -0.00 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2a3r h ASP 120 Cb 0.95 0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2a3r h ASP 120 CO 0.00 -0.14 0.00 0.00 -1.72 0.00 0.00 179.24 177.38 2a3r n GLN 121 N -5.32 0.47 -3.02 3.56 1.13 -0.41 -4.85 117.38 108.94 2a3r n GLN 121 Ca 0.03 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.88 2a3r n GLN 121 Cb 0.23 -1.32 0.00 0.00 0.11 0.00 0.00 30.24 29.26 2a3r n GLN 121 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2a3r n LYS 122 N -0.82 -3.42 -1.72 -1.09 4.76 0.70 -4.66 118.16 111.91 2a3r n LYS 122 Ca 0.07 0.63 -0.43 0.00 -2.87 0.00 0.00 58.31 55.71 2a3r n LYS 122 Cb 0.03 -5.34 -0.02 0.00 -1.84 0.00 0.00 35.03 27.86 2a3r n LYS 122 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2a3r n VAL 123 N -3.94 0.99 -2.10 -0.18 0.31 -1.00 -4.85 118.33 107.57 2a3r n VAL 123 Ca -0.08 -0.25 -0.38 0.00 -0.01 0.00 0.00 64.34 63.62 2a3r n VAL 123 Cb 0.58 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 2a3r n VAL 123 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2a3r s LYS 124 N -0.47 3.73 -0.05 5.55 1.02 -1.25 -4.77 119.74 123.51 2a3r s LYS 124 Ca 0.65 2.00 0.02 0.00 0.02 0.00 0.00 55.97 58.66 2a3r s LYS 124 Cb -0.55 -2.51 0.01 0.00 -0.52 0.00 0.00 37.83 34.26 2a3r s LYS 124 CO 0.49 -0.64 -0.10 0.08 -0.92 0.00 0.00 175.35 174.26 2a3r s VAL 125 N -1.39 0.90 -0.28 3.17 1.01 -0.74 -1.54 120.40 121.53 2a3r s VAL 125 Ca 0.62 -0.37 -0.08 0.00 0.00 0.00 0.00 61.98 62.15 2a3r s VAL 125 Cb -0.34 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 2a3r s VAL 125 CO 0.42 0.29 0.10 -0.69 0.00 0.00 0.00 175.10 175.23 2a3r s VAL 126 N 0.52 4.34 -0.05 2.92 1.01 0.01 -0.34 120.40 128.81 2a3r s VAL 126 Ca -0.10 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.52 2a3r s VAL 126 Cb -0.13 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 2a3r s VAL 126 CO 0.02 0.17 -0.13 -0.47 0.00 0.00 0.00 175.10 174.69 2a3r s TYR 127 N 1.59 2.74 -0.07 5.22 5.04 0.52 -1.94 117.35 130.44 2a3r s TYR 127 Ca 0.05 -0.12 0.03 0.00 -2.44 0.00 0.00 57.07 54.58 2a3r s TYR 127 Cb -0.16 -1.64 0.01 0.00 0.35 0.00 0.00 41.96 40.51 2a3r s TYR 127 CO 0.04 0.21 -0.14 0.08 -1.34 0.00 0.00 175.55 174.40 2a3r s VAL 128 N -0.75 1.29 0.15 3.14 1.01 -1.15 0.16 120.40 124.26 2a3r s VAL 128 Ca 0.12 -0.57 0.11 0.00 0.00 0.00 0.00 61.98 61.63 2a3r s VAL 128 Cb -0.11 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 2a3r s VAL 128 CO 0.01 0.39 -0.25 0.00 0.00 0.00 0.00 175.10 175.25 2a3r s ALA 129 N 0.59 2.34 0.06 5.51 0.00 -0.49 -4.31 121.76 125.47 2a3r s ALA 129 Ca -0.15 -1.50 0.03 0.00 0.00 0.00 0.00 51.96 50.34 2a3r s ALA 129 Cb -0.16 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 2a3r s ALA 129 CO 0.05 0.47 -0.09 0.50 0.00 0.00 0.00 175.76 176.69 2a3r s ARG 130 N -2.27 0.67 0.25 0.00 3.52 -1.26 -0.36 118.95 119.50 2a3r s ARG 130 Ca 0.15 -0.94 -0.31 0.00 -0.13 0.00 0.00 55.73 54.50 2a3r s ARG 130 Cb -0.09 -0.39 -0.12 0.00 -1.56 0.00 0.00 34.95 32.79 2a3r s ARG 130 CO 0.07 0.06 1.61 0.27 -0.81 0.00 0.00 175.30 176.50 2a3r n ASN 131 N 1.04 3.67 -0.30 -2.12 0.23 -1.26 -4.81 115.26 111.70 2a3r n ASN 131 Ca -0.20 1.11 0.24 0.00 -0.53 0.00 0.00 54.58 55.21 2a3r n ASN 131 Cb 0.56 -1.55 0.56 0.00 -2.08 0.00 0.00 39.78 37.27 2a3r n ASN 131 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 2a3r h PRO 132 N 5.44 0.31 0.26 -0.53 0.13 -1.98 -2.39 132.00 133.23 2a3r h PRO 132 Ca -0.45 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2a3r h PRO 132 Cb 1.23 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2a3r h PRO 132 CO 0.85 0.20 -0.13 0.87 -0.23 0.00 0.00 178.00 179.57 2a3r h LYS 133 N 0.32 -0.34 -0.80 0.86 1.57 -1.98 -0.26 116.57 115.94 2a3r h LYS 133 Ca 0.56 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.36 2a3r h LYS 133 Cb 1.57 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.92 2a3r h LYS 133 CO -0.22 -0.10 0.48 -0.44 -0.57 0.00 0.00 179.45 178.60 2a3r h ASP 134 N -0.54 0.96 -0.52 0.86 3.32 -1.85 -2.30 116.42 116.35 2a3r h ASP 134 Ca -0.04 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.96 2a3r h ASP 134 Cb 0.40 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 2a3r h ASP 134 CO 0.06 0.74 0.34 0.58 -1.72 0.00 0.00 179.24 179.24 2a3r h VAL 135 N 1.10 1.14 -0.54 -1.35 2.07 -1.27 0.25 116.25 117.65 2a3r h VAL 135 Ca 0.29 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.55 2a3r h VAL 135 Cb -0.04 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 2a3r h VAL 135 CO -0.05 0.14 0.36 0.00 0.02 0.00 0.00 177.57 178.03 2a3r h ALA 136 N 1.18 0.69 0.09 1.67 0.00 -0.52 0.49 119.26 122.87 2a3r h ALA 136 Ca 0.19 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2a3r h ALA 136 Cb -0.07 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2a3r h ALA 136 CO -0.04 0.12 -0.04 0.28 0.00 0.00 0.00 179.25 179.56 2a3r h VAL 137 N 0.72 1.09 -0.98 0.00 2.07 -1.18 -0.75 116.25 117.22 2a3r h VAL 137 Ca 0.20 -0.69 0.04 0.00 0.82 0.00 0.00 66.70 67.08 2a3r h VAL 137 Cb -0.07 1.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 2a3r h VAL 137 CO -0.05 0.17 0.64 -1.28 0.02 0.00 0.00 177.57 177.07 2a3r h SER 138 N -0.44 1.05 0.40 0.57 0.87 -0.76 -1.87 113.55 113.38 2a3r h SER 138 Ca -0.01 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.44 2a3r h SER 138 Cb 0.37 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2a3r h SER 138 CO 0.02 0.71 -0.46 0.22 -0.53 0.00 0.00 176.83 176.79 2a3r h TYR 139 N 1.21 0.09 0.12 2.24 3.20 0.16 -2.07 116.97 121.93 2a3r h TYR 139 Ca 0.40 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.24 2a3r h TYR 139 Cb 0.05 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.30 2a3r h TYR 139 CO -0.00 0.52 -0.06 -0.92 -1.64 0.00 0.00 178.16 176.07 2a3r h TYR 140 N 0.06 -0.14 -0.59 -3.82 3.20 -0.30 -1.60 116.97 113.77 2a3r h TYR 140 Ca 0.00 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 2a3r h TYR 140 Cb 0.84 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.13 2a3r h TYR 140 CO 0.00 0.13 0.22 0.45 -1.64 0.00 0.00 178.16 177.32 2a3r h HIS 141 N -0.41 0.89 -0.67 -3.82 3.86 -1.45 -1.83 115.15 111.70 2a3r h HIS 141 Ca -0.02 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 2a3r h HIS 141 Cb 0.34 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.50 2a3r h HIS 141 CO 0.01 0.70 0.42 0.35 0.86 0.00 0.00 177.93 180.27 2a3r h PHE 142 N 0.86 0.87 -0.07 2.45 3.57 -1.24 -0.20 116.94 123.16 2a3r h PHE 142 Ca 0.20 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 2a3r h PHE 142 Cb 0.20 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 2a3r h PHE 142 CO 0.01 0.57 -0.23 0.45 -2.23 0.00 0.00 178.31 176.88 2a3r h HIS 143 N 0.92 0.13 0.27 0.41 3.86 -0.45 0.17 115.15 120.46 2a3r h HIS 143 Ca 0.24 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.42 2a3r h HIS 143 Cb -0.06 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.37 2a3r h HIS 143 CO 0.00 0.35 -0.13 0.00 0.86 0.00 0.00 177.93 179.01 2a3r h ARG 144 N 0.11 -0.35 0.00 2.45 2.47 -0.65 -3.34 114.38 115.08 2a3r h ARG 144 Ca 0.02 0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.72 2a3r h ARG 144 Cb 0.47 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 2a3r h ARG 144 CO 0.03 0.00 -0.25 0.00 0.56 0.00 0.00 179.97 180.32 2a3r h MET 145 N -0.80 0.00 -4.97 0.04 -0.00 -1.23 -3.42 114.93 104.55 2a3r h MET 145 Ca -0.04 0.00 -0.67 0.00 -0.00 0.00 0.00 59.70 58.99 2a3r h MET 145 Cb 0.51 0.00 -0.18 0.00 -0.00 0.00 0.00 31.60 31.93 2a3r h MET 145 CO 0.06 0.20 0.28 -2.00 -0.00 0.00 0.00 176.91 175.45 2a3r s GLU 146 N -3.11 3.07 0.00 -0.10 -6.30 0.59 -0.82 118.70 112.03 2a3r s GLU 146 Ca 0.05 -1.14 0.04 0.00 -2.50 0.00 0.00 54.97 51.42 2a3r s GLU 146 Cb 0.06 -4.26 0.20 0.00 0.00 0.00 0.00 34.13 30.14 2a3r s GLU 146 CO 0.71 -1.65 0.77 1.63 0.02 0.00 0.00 175.26 176.73 2a3r n LYS 147 N 6.86 0.09 0.09 4.30 4.76 -0.38 -2.19 118.16 131.70 2a3r n LYS 147 Ca -0.07 0.08 0.12 0.00 -2.87 0.00 0.00 58.31 55.56 2a3r n LYS 147 Cb 0.44 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 32.14 2a3r n LYS 147 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2a3r n ALA 148 N -1.09 2.62 -2.18 7.82 0.00 -1.26 -4.35 120.51 122.07 2a3r n ALA 148 Ca 0.02 -0.25 -0.31 0.00 0.00 0.00 0.00 53.44 52.90 2a3r n ALA 148 Cb 0.02 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 2a3r n ALA 148 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2a3r s HIS 149 N -3.34 3.44 1.06 0.00 3.76 -0.93 -4.57 115.29 114.71 2a3r s HIS 149 Ca 0.00 1.08 -0.12 0.00 -0.15 0.00 0.00 55.06 55.87 2a3r s HIS 149 Cb 0.10 -2.46 0.22 0.00 1.11 0.00 0.00 32.58 31.56 2a3r s HIS 149 CO 0.79 -0.04 1.07 -1.25 -0.85 0.00 0.00 174.74 174.45 2a3r s PRO 150 N -3.59 -0.09 0.04 8.40 0.04 -1.26 -4.72 135.00 133.82 2a3r s PRO 150 Ca 0.52 0.76 -0.30 0.00 0.04 0.00 0.00 61.00 62.02 2a3r s PRO 150 Cb -0.10 -1.66 -0.09 0.00 0.04 0.00 0.00 34.50 32.69 2a3r s PRO 150 CO 0.27 -3.15 1.86 -2.00 0.04 0.00 0.00 177.00 174.03 2a3r s GLU 151 N -4.71 4.15 0.31 4.56 2.56 -1.26 -4.88 118.70 119.43 2a3r s GLU 151 Ca 0.67 2.52 0.14 0.00 0.00 0.00 0.00 54.97 58.30 2a3r s GLU 151 Cb -0.22 -3.96 0.46 0.00 2.00 0.00 0.00 34.13 32.41 2a3r s GLU 151 CO 0.61 -0.89 1.64 -1.00 -0.56 0.00 0.00 175.26 175.05 2a3r h PRO 152 N 9.80 0.00 0.00 4.30 0.13 -1.90 -3.49 132.00 140.84 2a3r h PRO 152 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2a3r h PRO 152 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2a3r h PRO 152 CO 0.94 0.52 0.00 0.41 -0.23 0.00 0.00 178.00 179.64 2a3r n GLY 153 N 0.37 0.54 3.87 1.56 0.00 -1.26 -3.90 105.19 106.36 2a3r n GLY 153 Ca -0.00 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 2a3r n GLY 153 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a3r s THR 154 N 0.00 4.72 0.18 2.61 -4.23 -1.26 -4.87 115.64 112.78 2a3r s THR 154 Ca 0.00 0.79 -0.14 0.00 -1.18 0.00 0.00 61.69 61.17 2a3r s THR 154 Cb 0.00 -3.83 0.07 0.00 1.34 0.00 0.00 72.50 70.07 2a3r s THR 154 CO 0.00 -0.97 1.79 -0.25 -0.54 0.00 0.00 174.62 174.65 2a3r h TRP 155 N 0.10 0.47 -0.83 3.99 2.91 -1.99 0.16 115.95 120.76 2a3r h TRP 155 Ca -0.45 0.02 0.04 0.00 1.13 0.00 0.00 58.89 59.62 2a3r h TRP 155 Cb 1.19 -0.14 -0.05 0.00 -0.51 0.00 0.00 29.16 29.65 2a3r h TRP 155 CO 0.64 0.24 0.53 0.22 -1.03 0.00 0.00 178.44 179.04 2a3r h ASP 156 N 0.50 0.87 0.01 2.65 3.58 -1.95 0.16 116.42 122.24 2a3r h ASP 156 Ca 0.21 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.66 2a3r h ASP 156 Cb 0.10 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 40.96 2a3r h ASP 156 CO -0.14 0.59 -0.00 -1.28 -2.88 0.00 0.00 179.24 175.53 2a3r h SER 157 N 1.02 -0.01 0.08 2.28 0.87 -1.71 -2.63 113.55 113.45 2a3r h SER 157 Ca 0.34 -0.21 0.02 0.00 -1.23 0.00 0.00 61.79 60.70 2a3r h SER 157 Cb 0.04 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 2a3r h SER 157 CO -0.12 0.21 -0.18 0.15 -0.53 0.00 0.00 176.83 176.36 2a3r h PHE 158 N -0.22 -0.46 -0.86 2.24 3.57 -0.07 -2.16 116.94 118.97 2a3r h PHE 158 Ca -0.00 0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.71 2a3r h PHE 158 Cb 0.22 0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.09 2a3r h PHE 158 CO -0.00 -0.26 0.58 1.25 -2.23 0.00 0.00 178.31 177.65 2a3r h LEU 159 N -0.33 0.33 -0.32 0.59 5.85 -0.67 0.27 115.31 121.04 2a3r h LEU 159 Ca 0.03 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 2a3r h LEU 159 Cb 0.36 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2a3r h LEU 159 CO -0.11 0.14 -0.07 -0.08 -0.34 0.00 0.00 178.44 177.98 2a3r h GLU 160 N 0.33 0.60 -0.17 1.25 4.57 -1.02 -2.12 114.58 118.03 2a3r h GLU 160 Ca 0.44 -0.23 -0.11 0.00 -1.18 0.00 0.00 59.36 58.28 2a3r h GLU 160 Cb 1.19 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 2a3r h GLU 160 CO -0.14 0.78 -0.37 0.87 -1.18 0.00 0.00 179.01 178.98 2a3r h LYS 161 N 0.38 0.36 -0.64 1.92 1.57 -0.43 -2.54 116.57 117.19 2a3r h LYS 161 Ca 0.08 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 2a3r h LYS 161 Cb 0.55 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 2a3r h LYS 161 CO 0.03 0.68 0.12 0.35 -0.57 0.00 0.00 179.45 180.06 2a3r h PHE 162 N 0.31 1.10 -0.02 -1.35 3.04 -0.38 0.59 116.94 120.23 2a3r h PHE 162 Ca 0.03 -0.14 -0.11 0.00 3.98 0.00 0.00 57.97 61.73 2a3r h PHE 162 Cb 0.79 -0.31 -0.02 0.00 2.56 0.00 0.00 35.95 38.98 2a3r h PHE 162 CO 0.02 0.92 -0.52 0.52 -2.02 0.00 0.00 178.31 177.22 2a3r h MET 163 N 0.98 0.05 -0.00 1.11 2.86 -1.11 -2.69 114.93 116.14 2a3r h MET 163 Ca 0.20 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2a3r h MET 163 Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2a3r h MET 163 CO 0.01 0.57 -0.10 0.00 1.06 0.00 0.00 176.91 178.45 2a3r n ALA 164 N -2.45 2.71 -1.54 6.32 0.00 -0.98 -4.91 120.51 119.67 2a3r n ALA 164 Ca -0.02 -0.24 -0.07 0.00 0.00 0.00 0.00 53.44 53.12 2a3r n ALA 164 Cb 0.54 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.61 2a3r n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a3r n GLY 165 N 1.29 0.62 2.73 0.00 0.00 -0.67 -4.89 105.19 104.27 2a3r n GLY 165 Ca 0.14 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 2a3r n GLY 165 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2a3r n GLU 166 N -2.40 3.65 -4.09 1.61 1.02 0.11 -3.82 120.64 116.73 2a3r n GLU 166 Ca -0.08 -3.65 -0.08 0.00 -0.02 0.00 0.00 57.16 53.33 2a3r n GLU 166 Cb 0.35 -2.34 -0.10 0.00 -0.02 0.00 0.00 31.44 29.33 2a3r n GLU 166 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2a3r s VAL 167 N -4.03 0.17 0.18 2.62 -7.23 -1.26 -4.80 120.40 106.05 2a3r s VAL 167 Ca 0.50 -1.78 -0.32 0.00 -1.81 0.00 0.00 61.98 58.56 2a3r s VAL 167 Cb 0.33 -1.69 -0.16 0.00 0.56 0.00 0.00 36.38 35.43 2a3r s VAL 167 CO -0.27 -0.78 1.03 -0.24 -0.31 0.00 0.00 175.10 174.52 2a3r n SER 168 N 0.02 0.79 0.00 4.85 2.88 -1.26 -0.14 113.62 120.76 2a3r n SER 168 Ca -0.11 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 2a3r n SER 168 Cb 0.62 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.92 2a3r n SER 168 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2a3r n TYR 169 N 1.04 0.00 -4.05 0.66 4.01 0.26 -4.91 117.16 114.16 2a3r n TYR 169 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 2a3r n TYR 169 Cb 0.24 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 2a3r n TYR 169 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2a3r n GLY 170 N -2.00 -1.02 3.67 2.72 0.00 0.80 -4.80 105.19 104.56 2a3r n GLY 170 Ca 0.00 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 2a3r n GLY 170 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2a3r s SER 171 N -4.00 6.60 0.24 1.61 0.15 -1.25 -4.69 113.70 112.35 2a3r s SER 171 Ca 0.00 2.42 -0.03 0.00 0.70 0.00 0.00 55.95 59.04 2a3r s SER 171 Cb 0.00 -2.54 0.26 0.00 -1.71 0.00 0.00 66.02 62.02 2a3r s SER 171 CO 0.00 -0.94 1.68 -0.25 1.20 0.00 0.00 173.24 174.93 2a3r h TRP 172 N 9.36 0.84 -0.61 3.44 7.01 -1.90 -1.83 115.95 132.25 2a3r h TRP 172 Ca -0.43 -0.16 -0.03 0.00 2.11 0.00 0.00 58.89 60.38 2a3r h TRP 172 Cb 1.20 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 28.02 2a3r h TRP 172 CO 0.87 0.85 0.26 1.88 -2.79 0.00 0.00 178.44 179.51 2a3r h TYR 173 N 0.68 0.90 -0.12 2.65 -1.99 -1.94 -2.04 116.97 115.11 2a3r h TYR 173 Ca 0.11 -0.06 -0.16 0.00 2.00 0.00 0.00 58.73 60.62 2a3r h TYR 173 Cb 0.63 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 39.08 2a3r h TYR 173 CO 0.03 0.71 -0.62 0.37 -0.00 0.00 0.00 178.16 178.64 2a3r h GLN 174 N 0.84 0.41 0.49 4.88 4.15 -1.94 -2.61 115.11 121.34 2a3r h GLN 174 Ca 0.20 -0.29 -0.02 0.00 0.77 0.00 0.00 58.65 59.31 2a3r h GLN 174 Cb 0.17 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.91 2a3r h GLN 174 CO -0.02 0.90 -0.24 1.25 -1.93 0.00 0.00 178.83 178.80 2a3r h HIS 175 N 0.30 -0.61 -0.39 3.99 2.76 -1.11 -1.64 115.15 118.45 2a3r h HIS 175 Ca -0.01 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.12 2a3r h HIS 175 Cb 1.16 0.20 -0.02 0.00 1.55 0.00 0.00 27.41 30.31 2a3r h HIS 175 CO 0.04 -0.30 0.11 -0.39 -1.30 0.00 0.00 177.93 176.08 2a3r h VAL 176 N -0.85 1.17 0.10 5.26 -1.51 -1.44 -2.93 116.25 116.04 2a3r h VAL 176 Ca -0.07 -0.59 -0.00 0.00 -1.23 0.00 0.00 66.70 64.80 2a3r h VAL 176 Cb 0.58 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 2a3r h VAL 176 CO 0.11 0.22 -0.05 1.56 -1.23 0.00 0.00 177.57 178.18 2a3r h GLN 177 N 0.55 -0.13 -0.38 5.19 4.20 -1.42 -2.15 115.11 120.97 2a3r h GLN 177 Ca 0.13 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.92 2a3r h GLN 177 Cb 0.19 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.94 2a3r h GLN 177 CO -0.01 0.28 -0.02 0.93 -0.67 0.00 0.00 178.83 179.34 2a3r h GLU 178 N -0.57 0.07 -0.23 1.46 5.08 -1.26 -0.23 114.58 118.90 2a3r h GLU 178 Ca -0.01 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 2a3r h GLU 178 Cb 0.47 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2a3r h GLU 178 CO 0.02 0.05 -0.28 -1.49 -1.00 0.00 0.00 179.01 176.31 2a3r h TRP 179 N 0.08 0.50 -0.63 4.33 4.06 -1.59 0.10 115.95 122.80 2a3r h TRP 179 Ca 0.19 -0.11 -0.05 0.00 2.06 0.00 0.00 58.89 60.98 2a3r h TRP 179 Cb 0.27 -0.12 -0.03 0.00 -1.00 0.00 0.00 29.16 28.28 2a3r h TRP 179 CO -0.28 0.68 0.21 2.35 -3.56 0.00 0.00 178.44 177.85 2a3r h TRP 180 N 0.39 1.00 -0.11 0.49 2.91 -0.75 -2.56 115.95 117.32 2a3r h TRP 180 Ca 0.05 -0.09 -0.01 0.00 1.13 0.00 0.00 58.89 59.97 2a3r h TRP 180 Cb 0.69 -0.29 -0.00 0.00 -0.51 0.00 0.00 29.16 29.04 2a3r h TRP 180 CO 0.02 0.81 0.02 1.49 -1.03 0.00 0.00 178.44 179.76 2a3r h GLU 181 N 0.90 0.19 0.00 2.65 4.57 -0.53 -3.02 114.58 119.35 2a3r h GLU 181 Ca 0.21 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 2a3r h GLU 181 Cb 0.27 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.84 2a3r h GLU 181 CO -0.01 0.38 -0.00 1.25 -1.18 0.00 0.00 179.01 179.45 2a3r h LEU 182 N -0.03 0.00 0.00 1.64 7.12 -0.86 -2.72 115.31 120.45 2a3r h LEU 182 Ca 0.04 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.05 2a3r h LEU 182 Cb 0.28 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.41 2a3r h LEU 182 CO 0.00 0.00 0.00 -1.54 -0.13 0.00 0.00 178.44 176.77 2a3r n SER 183 N -3.58 0.00 -0.05 1.25 3.41 -0.98 -1.93 113.62 111.74 2a3r n SER 183 Ca -0.03 -0.78 -0.18 0.00 -0.26 0.00 0.00 58.87 57.63 2a3r n SER 183 Cb 0.08 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.89 2a3r n SER 183 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2a3r n ARG 184 N -0.56 0.70 0.00 4.33 1.74 -1.03 -4.50 116.66 117.35 2a3r n ARG 184 Ca 0.01 0.21 0.08 0.00 -0.77 0.00 0.00 57.85 57.38 2a3r n ARG 184 Cb 0.01 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 29.81 2a3r n ARG 184 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2a3r n THR 185 N -3.30 0.00 -4.01 0.55 -2.24 -0.86 -4.98 114.28 99.44 2a3r n THR 185 Ca -0.35 -0.34 -0.12 0.00 -2.27 0.00 0.00 64.05 60.97 2a3r n THR 185 Cb 1.04 1.20 -0.12 0.00 -2.10 0.00 0.00 70.33 70.34 2a3r n THR 185 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2a3r s HIS 186 N -1.85 0.37 -0.61 4.78 2.46 -0.82 -5.08 115.29 114.54 2a3r s HIS 186 Ca 0.13 -0.37 -0.26 0.00 0.47 0.00 0.00 55.06 55.04 2a3r s HIS 186 Cb 0.13 -0.24 -0.03 0.00 -0.13 0.00 0.00 32.58 32.31 2a3r s HIS 186 CO 0.39 -0.10 1.97 -1.25 -2.47 0.00 0.00 174.74 173.28 2a3r s PRO 187 N -1.05 2.51 -0.12 2.88 0.04 -1.26 -4.49 135.00 133.51 2a3r s PRO 187 Ca -0.09 0.71 -0.01 0.00 0.04 0.00 0.00 61.00 61.65 2a3r s PRO 187 Cb -0.07 -4.46 0.03 0.00 0.04 0.00 0.00 34.50 30.04 2a3r s PRO 187 CO -0.00 -2.89 -0.02 0.08 0.04 0.00 0.00 177.00 174.20 2a3r s VAL 188 N 9.78 0.71 -0.39 -0.36 1.01 -1.26 -1.78 120.40 128.10 2a3r s VAL 188 Ca 0.73 -0.23 -0.26 0.00 0.00 0.00 0.00 61.98 62.22 2a3r s VAL 188 Cb -0.13 -0.89 0.02 0.00 0.00 0.00 0.00 36.38 35.38 2a3r s VAL 188 CO 0.20 0.19 0.92 -0.22 0.00 0.00 0.00 175.10 176.20 2a3r s LEU 189 N 1.82 3.99 -0.41 3.92 2.96 0.54 -4.92 118.68 126.58 2a3r s LEU 189 Ca 0.03 0.45 -0.14 0.00 -0.22 0.00 0.00 54.13 54.25 2a3r s LEU 189 Cb -0.14 -3.24 0.03 0.00 0.50 0.00 0.00 46.19 43.34 2a3r s LEU 189 CO -0.07 -0.91 0.30 -0.47 -1.32 0.00 0.00 176.35 173.88 2a3r s TYR 190 N 3.55 3.24 0.34 5.38 6.14 -1.26 -0.36 117.35 134.38 2a3r s TYR 190 Ca 0.38 -0.72 0.07 0.00 0.64 0.00 0.00 57.07 57.44 2a3r s TYR 190 Cb -0.11 -2.66 -0.03 0.00 0.42 0.00 0.00 41.96 39.58 2a3r s TYR 190 CO 0.21 -0.64 0.29 -0.51 0.64 0.00 0.00 175.55 175.55 2a3r s LEU 191 N 1.65 3.59 -0.09 6.97 1.43 0.12 -4.99 118.68 127.37 2a3r s LEU 191 Ca 0.04 -0.50 0.04 0.00 -1.03 0.00 0.00 54.13 52.68 2a3r s LEU 191 Cb -0.20 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 43.82 2a3r s LEU 191 CO 0.09 -0.36 -0.21 -0.36 0.23 0.00 0.00 176.35 175.74 2a3r s PHE 192 N -2.31 2.25 0.17 0.29 0.08 -1.26 -1.40 117.98 115.80 2a3r s PHE 192 Ca 0.41 -0.90 -0.15 0.00 0.12 0.00 0.00 56.93 56.40 2a3r s PHE 192 Cb -0.06 -1.53 0.13 0.00 -0.57 0.00 0.00 43.02 40.99 2a3r s PHE 192 CO 0.27 -0.38 1.69 -0.92 -0.10 0.00 0.00 175.22 175.78 2a3r h TYR 193 N 6.77 -0.03 -0.65 0.36 5.03 -0.96 -1.54 116.97 125.94 2a3r h TYR 193 Ca -0.22 0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.16 2a3r h TYR 193 Cb 1.22 0.08 -0.05 0.00 1.55 0.00 0.00 36.73 39.54 2a3r h TYR 193 CO 0.47 -0.09 0.39 0.93 -1.32 0.00 0.00 178.16 178.54 2a3r h GLU 194 N 0.10 0.72 -0.90 1.82 3.07 -1.92 -0.25 114.58 117.23 2a3r h GLU 194 Ca 0.21 -0.04 0.02 0.00 -0.50 0.00 0.00 59.36 59.04 2a3r h GLU 194 Cb 0.30 -0.16 -0.05 0.00 -0.84 0.00 0.00 28.75 28.00 2a3r h GLU 194 CO -0.35 0.48 0.59 -0.44 -1.40 0.00 0.00 179.01 177.89 2a3r h ASP 195 N 0.75 1.00 -0.68 1.42 3.32 -1.77 0.90 116.42 121.36 2a3r h ASP 195 Ca 0.27 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 2a3r h ASP 195 Cb 0.08 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 2a3r h ASP 195 CO -0.13 0.71 0.32 0.24 -1.72 0.00 0.00 179.24 178.66 2a3r h MET 196 N 1.18 1.00 0.05 3.56 2.86 -0.28 -0.92 114.93 122.38 2a3r h MET 196 Ca 0.34 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 2a3r h MET 196 Cb -0.08 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.40 2a3r h MET 196 CO -0.09 0.78 -0.02 0.87 1.06 0.00 0.00 176.91 179.51 2a3r h LYS 197 N 1.00 -0.06 -0.23 1.72 1.79 -0.01 -2.82 116.57 117.96 2a3r h LYS 197 Ca 0.24 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.76 2a3r h LYS 197 Cb 0.12 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.74 2a3r h LYS 197 CO -0.03 0.23 -0.06 1.49 -1.08 0.00 0.00 179.45 180.00 2a3r h GLU 198 N -0.35 -0.01 -1.73 3.15 4.81 -0.53 -3.39 114.58 116.53 2a3r h GLU 198 Ca -0.01 0.00 -0.43 0.00 -0.13 0.00 0.00 59.36 58.80 2a3r h GLU 198 Cb 0.32 0.00 -0.30 0.00 0.63 0.00 0.00 28.75 29.40 2a3r h GLU 198 CO 0.01 -0.01 -0.81 -1.71 -0.73 0.00 0.00 179.01 175.76 2a3r n ASN 199 N -5.22 -1.50 -0.26 1.04 4.05 -0.38 -5.04 115.26 107.96 2a3r n ASN 199 Ca -0.02 -2.64 -0.09 0.00 0.45 0.00 0.00 54.58 52.28 2a3r n ASN 199 Cb 0.14 0.32 -0.07 0.00 1.23 0.00 0.00 39.78 41.40 2a3r n ASN 199 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 2a3r h PRO 200 N 5.13 -0.08 -0.88 1.20 0.11 -1.70 -1.58 132.00 134.20 2a3r h PRO 200 Ca 0.15 0.01 0.23 0.00 0.11 0.00 0.00 66.00 66.50 2a3r h PRO 200 Cb 0.98 0.02 -0.13 0.00 0.11 0.00 0.00 31.00 31.97 2a3r h PRO 200 CO 0.27 -0.05 0.31 -0.22 -0.21 0.00 0.00 178.00 178.10 2a3r h LYS 201 N -0.08 0.29 -0.56 1.05 3.64 -1.96 0.14 116.57 119.08 2a3r h LYS 201 Ca 0.10 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2a3r h LYS 201 Cb 0.35 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 2a3r h LYS 201 CO -0.63 0.19 0.32 -0.09 -2.27 0.00 0.00 179.45 176.96 2a3r h ARG 202 N 0.29 0.76 0.18 1.90 2.43 -1.69 -2.05 114.38 116.21 2a3r h ARG 202 Ca 0.56 -0.07 -0.26 0.00 -0.81 0.00 0.00 59.98 59.40 2a3r h ARG 202 Cb 1.10 -0.16 0.02 0.00 -0.42 0.00 0.00 29.97 30.52 2a3r h ARG 202 CO -0.59 0.55 -1.16 0.93 -1.51 0.00 0.00 179.97 178.19 2a3r h GLU 203 N 0.78 0.38 -0.36 0.20 4.39 -0.59 -3.15 114.58 116.23 2a3r h GLU 203 Ca 0.20 -0.65 -0.01 0.00 0.34 0.00 0.00 59.36 59.24 2a3r h GLU 203 Cb 0.00 0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 2a3r h GLU 203 CO -0.03 1.31 0.19 -0.84 -1.16 0.00 0.00 179.01 178.48 2a3r h ILE 204 N -0.16 1.11 -0.32 3.13 -0.00 -1.05 -0.48 117.51 119.74 2a3r h ILE 204 Ca -0.21 -0.29 -0.06 0.00 -0.00 0.00 0.00 64.86 64.30 2a3r h ILE 204 Cb 1.86 0.64 -0.02 0.00 -0.00 0.00 0.00 36.82 39.30 2a3r h ILE 204 CO 0.19 0.12 -0.08 -0.61 -0.00 0.00 0.00 178.15 177.77 2a3r h GLN 205 N 0.49 0.52 -0.34 0.16 -0.00 -1.44 0.12 115.11 114.62 2a3r h GLN 205 Ca 0.13 -0.14 -0.10 0.00 -0.00 0.00 0.00 58.65 58.54 2a3r h GLN 205 Cb 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 27.42 2a3r h GLN 205 CO -0.02 0.61 -0.19 0.87 0.00 0.00 0.00 178.83 180.09 2a3r h LYS 206 N 0.49 0.63 0.11 1.69 1.57 -1.07 -2.09 116.57 117.91 2a3r h LYS 206 Ca 0.10 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 2a3r h LYS 206 Cb 0.44 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2a3r h LYS 206 CO 0.02 0.78 -0.05 0.82 -0.57 0.00 0.00 179.45 180.45 2a3r h ILE 207 N 0.56 1.06 -0.70 1.86 2.04 -0.54 -1.03 117.51 120.77 2a3r h ILE 207 Ca 0.09 -0.76 0.14 0.00 1.00 0.00 0.00 64.86 65.33 2a3r h ILE 207 Cb 0.64 1.54 -0.10 0.00 -0.74 0.00 0.00 36.82 38.16 2a3r h ILE 207 CO 0.05 0.18 0.21 -0.07 0.00 0.00 0.00 178.15 178.51 2a3r h LEU 208 N -0.51 0.11 -0.72 1.44 3.38 -0.76 0.86 115.31 119.11 2a3r h LEU 208 Ca -0.02 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2a3r h LEU 208 Cb 0.41 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 2a3r h LEU 208 CO 0.03 0.03 0.34 -0.08 0.09 0.00 0.00 178.44 178.84 2a3r h GLU 209 N 0.33 1.03 -0.24 1.13 4.81 -1.28 -0.30 114.58 120.07 2a3r h GLU 209 Ca 0.38 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 2a3r h GLU 209 Cb 0.60 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2a3r h GLU 209 CO -0.44 0.82 0.12 0.35 -0.73 0.00 0.00 179.01 179.13 2a3r h PHE 210 N 1.00 0.34 0.00 0.92 3.57 0.50 -2.02 116.94 121.25 2a3r h PHE 210 Ca 0.25 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.73 2a3r h PHE 210 Cb 0.12 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.76 2a3r h PHE 210 CO 0.01 0.31 0.00 1.33 -2.23 0.00 0.00 178.31 177.73 2a3r n VAL 211 N -4.85 0.00 -3.22 1.41 0.24 -0.42 -4.91 118.33 106.58 2a3r n VAL 211 Ca -0.03 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.11 2a3r n VAL 211 Cb 0.09 -0.46 0.07 0.00 -1.47 0.00 0.00 33.84 32.06 2a3r n VAL 211 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2a3r n GLY 212 N 0.95 -0.20 3.52 7.63 0.00 -0.76 -5.04 105.19 111.30 2a3r n GLY 212 Ca 0.22 0.01 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 2a3r n GLY 212 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a3r s ARG 213 N -5.51 1.86 0.05 1.61 0.52 -0.18 -5.03 118.95 112.28 2a3r s ARG 213 Ca 0.21 -2.11 -0.09 0.00 -0.52 0.00 0.00 55.73 53.22 2a3r s ARG 213 Cb -0.09 -0.84 0.00 0.00 0.52 0.00 0.00 34.95 34.54 2a3r s ARG 213 CO 0.57 -0.35 0.19 0.45 0.02 0.00 0.00 175.30 176.18 2a3r s SER 214 N -3.60 0.06 0.01 0.23 0.15 -1.26 -4.31 113.70 104.97 2a3r s SER 214 Ca 0.26 -0.44 -0.08 0.00 0.70 0.00 0.00 55.95 56.39 2a3r s SER 214 Cb 0.05 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 2a3r s SER 214 CO 0.14 -0.59 0.17 -0.76 1.20 0.00 0.00 173.24 173.39 2a3r s LEU 215 N -2.26 1.45 0.25 3.45 1.43 -1.26 -5.13 118.68 116.61 2a3r s LEU 215 Ca -0.03 -0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 52.55 2a3r s LEU 215 Cb 0.00 0.79 -0.10 0.00 0.03 0.00 0.00 46.19 46.91 2a3r s LEU 215 CO -0.06 -0.42 1.50 -2.84 0.23 0.00 0.00 176.35 174.76 2a3r s PRO 216 N -1.66 4.23 0.28 1.29 0.02 -1.26 -4.78 135.00 133.12 2a3r s PRO 216 Ca -0.12 2.38 0.01 0.00 0.02 0.00 0.00 61.00 63.29 2a3r s PRO 216 Cb -0.06 -3.10 0.68 0.00 0.02 0.00 0.00 34.50 32.05 2a3r s PRO 216 CO 0.01 -0.50 1.42 -1.91 -0.33 0.00 0.00 177.00 175.69 2a3r n GLU 217 N 2.54 -0.07 -0.04 5.54 4.07 -1.26 0.11 120.64 131.53 2a3r n GLU 217 Ca 0.08 1.36 -0.05 0.00 -0.06 0.00 0.00 57.16 58.49 2a3r n GLU 217 Cb 0.39 -2.16 0.15 0.00 -0.06 0.00 0.00 31.44 29.77 2a3r n GLU 217 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 2a3r h GLU 218 N 0.00 0.63 -0.44 5.31 4.11 -2.00 -2.27 114.58 119.92 2a3r h GLU 218 Ca 0.55 -0.23 -0.09 0.00 0.07 0.00 0.00 59.36 59.65 2a3r h GLU 218 Cb 1.11 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 2a3r h GLU 218 CO -0.86 0.80 -0.10 1.15 0.07 0.00 0.00 179.01 180.07 2a3r h THR 219 N 0.56 1.26 0.27 -1.06 2.02 0.43 -2.52 112.91 113.88 2a3r h THR 219 Ca 0.09 -1.16 0.01 0.00 0.77 0.00 0.00 66.41 66.11 2a3r h THR 219 Cb 0.66 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 2a3r h THR 219 CO 0.05 0.40 -0.38 -0.03 0.37 0.00 0.00 175.52 175.93 2a3r h MET 220 N 0.72 -0.68 -0.88 6.66 1.85 -0.69 -1.79 114.93 120.12 2a3r h MET 220 Ca 0.12 0.05 0.16 0.00 -0.61 0.00 0.00 59.70 59.42 2a3r h MET 220 Cb 0.58 0.16 -0.07 0.00 0.43 0.00 0.00 31.60 32.70 2a3r h MET 220 CO 0.04 -0.46 0.57 -0.44 -0.40 0.00 0.00 176.91 176.22 2a3r h ASP 221 N -0.71 0.55 -0.51 1.39 3.32 -1.34 -0.93 116.42 118.19 2a3r h ASP 221 Ca -0.01 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.10 2a3r h ASP 221 Cb 0.67 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 2a3r h ASP 221 CO -0.13 0.26 0.31 0.15 -1.72 0.00 0.00 179.24 178.11 2a3r h PHE 222 N 0.57 0.58 0.07 4.55 3.57 -0.88 -2.77 116.94 122.62 2a3r h PHE 222 Ca 0.45 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.96 2a3r h PHE 222 Cb 0.87 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.43 2a3r h PHE 222 CO -0.00 0.34 -0.03 0.52 -2.23 0.00 0.00 178.31 176.90 2a3r h MET 223 N 0.62 -0.09 -0.99 1.11 2.86 -0.77 -2.56 114.93 115.11 2a3r h MET 223 Ca 0.20 0.01 0.36 0.00 -2.06 0.00 0.00 59.70 58.20 2a3r h MET 223 Cb 0.00 0.02 -0.16 0.00 0.06 0.00 0.00 31.60 31.52 2a3r h MET 223 CO -0.08 0.01 0.49 0.28 1.06 0.00 0.00 176.91 178.67 2a3r h VAL 224 N -0.17 0.15 -0.06 -2.22 2.07 -1.19 0.45 116.25 115.27 2a3r h VAL 224 Ca -0.01 -0.05 -0.22 0.00 0.82 0.00 0.00 66.70 67.24 2a3r h VAL 224 Cb 0.15 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 2a3r h VAL 224 CO 0.02 0.03 -0.85 1.56 0.02 0.00 0.00 177.57 178.35 2a3r h GLN 225 N 0.15 0.55 -0.42 1.57 1.08 -1.21 -3.20 115.11 113.63 2a3r h GLN 225 Ca 0.76 -0.50 0.00 0.00 -1.45 0.00 0.00 58.65 57.46 2a3r h GLN 225 Cb 1.85 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 29.41 2a3r h GLN 225 CO -0.70 1.13 0.00 0.72 -0.95 0.00 0.00 178.83 179.03 2a3r n HIS 226 N -3.84 0.56 -0.28 2.96 8.25 0.14 -3.00 115.22 120.02 2a3r n HIS 226 Ca -0.07 -0.28 0.02 0.00 -0.26 0.00 0.00 57.72 57.13 2a3r n HIS 226 Cb 0.78 -0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.91 2a3r n HIS 226 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2a3r n THR 227 N 0.71 1.09 -2.26 1.59 -2.24 0.01 -4.58 114.28 108.61 2a3r n THR 227 Ca 0.14 -1.16 -0.33 0.00 -2.27 0.00 0.00 64.05 60.43 2a3r n THR 227 Cb 0.36 0.39 -0.01 0.00 -2.10 0.00 0.00 70.33 68.97 2a3r n THR 227 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2a3r s SER 228 N -1.29 6.19 0.13 3.42 1.04 -1.16 -4.87 113.70 117.16 2a3r s SER 228 Ca 0.06 1.74 -0.19 0.00 0.48 0.00 0.00 55.95 58.03 2a3r s SER 228 Cb 0.05 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.60 2a3r s SER 228 CO 0.01 -0.88 1.77 0.15 0.98 0.00 0.00 173.24 175.26 2a3r h PHE 229 N 0.79 0.22 -0.21 5.02 3.57 -1.93 -0.17 116.94 124.23 2a3r h PHE 229 Ca -0.47 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.09 2a3r h PHE 229 Cb 1.21 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.81 2a3r h PHE 229 CO 0.60 0.12 -0.39 -0.22 -2.23 0.00 0.00 178.31 176.20 2a3r h LYS 230 N 0.25 -0.40 0.18 1.11 1.63 -1.94 0.37 116.57 117.78 2a3r h LYS 230 Ca 0.09 0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.91 2a3r h LYS 230 Cb 0.01 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 2a3r h LYS 230 CO -0.06 -0.26 -0.09 1.49 -3.45 0.00 0.00 179.45 177.08 2a3r h GLU 231 N -0.41 -0.24 0.00 1.90 4.57 -1.78 -2.72 114.58 115.90 2a3r h GLU 231 Ca 0.10 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.30 2a3r h GLU 231 Cb 0.59 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.23 2a3r h GLU 231 CO -0.43 -0.07 -0.00 0.52 -1.18 0.00 0.00 179.01 177.84 2a3r h MET 232 N -0.35 0.00 -0.05 1.92 2.86 -0.79 -1.59 114.93 116.94 2a3r h MET 232 Ca -0.03 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.41 2a3r h MET 232 Cb 0.27 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 2a3r h MET 232 CO 0.04 0.00 -0.82 -0.22 1.06 0.00 0.00 176.91 176.98 2a3r h LYS 233 N 0.00 0.41 0.20 1.72 3.64 -0.61 -3.29 116.57 118.64 2a3r h LYS 233 Ca -0.00 -0.38 -0.33 0.00 -1.27 0.00 0.00 60.65 58.68 2a3r h LYS 233 Cb 0.09 0.09 0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2a3r h LYS 233 CO 0.00 1.03 -1.52 0.87 -2.27 0.00 0.00 179.45 177.57 2a3r h LYS 234 N 0.26 0.42 -6.22 1.90 1.57 -1.23 -3.45 116.57 109.81 2a3r h LYS 234 Ca -0.05 -0.73 -0.55 0.00 -1.87 0.00 0.00 60.65 57.45 2a3r h LYS 234 Cb 1.42 0.27 0.01 0.00 0.08 0.00 0.00 32.23 34.02 2a3r h LYS 234 CO 0.14 1.33 1.33 -1.71 -0.57 0.00 0.00 179.45 179.98 2a3r n ASN 235 N -3.62 3.84 0.02 0.86 4.05 -0.67 -4.84 115.26 114.90 2a3r n ASN 235 Ca -0.17 0.65 0.11 0.00 0.45 0.00 0.00 54.58 55.61 2a3r n ASN 235 Cb 1.08 -1.54 0.46 0.00 1.23 0.00 0.00 39.78 41.01 2a3r n ASN 235 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2a3r n PRO 236 N 7.99 0.04 -0.01 1.20 -0.04 -1.26 -1.65 135.00 141.27 2a3r n PRO 236 Ca 0.24 0.16 0.14 0.00 -0.04 0.00 0.00 63.50 63.99 2a3r n PRO 236 Cb 0.42 -1.56 0.51 0.00 -0.04 0.00 0.00 33.50 32.84 2a3r n PRO 236 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2a3r n MET 237 N -1.63 1.66 0.00 0.54 2.81 -1.26 -4.16 117.12 115.07 2a3r n MET 237 Ca 0.05 -0.96 0.00 0.00 -1.81 0.00 0.00 57.70 54.98 2a3r n MET 237 Cb 0.27 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 2a3r n MET 237 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2a3r n THR 238 N 0.17 0.00 -0.12 2.03 -2.24 -1.11 -1.59 114.28 111.43 2a3r n THR 238 Ca 0.19 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.07 2a3r n THR 238 Cb 0.34 1.10 0.29 0.00 -2.10 0.00 0.00 70.33 69.96 2a3r n THR 238 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2a3r n ASN 239 N 0.00 3.63 -1.22 3.42 0.23 -0.66 -4.96 115.26 115.70 2a3r n ASN 239 Ca 0.00 -2.08 -0.15 0.00 -0.53 0.00 0.00 54.58 51.81 2a3r n ASN 239 Cb 0.05 -0.46 -0.07 0.00 -2.08 0.00 0.00 39.78 37.22 2a3r n ASN 239 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 2a3r n TYR 240 N 1.31 -0.04 1.10 -2.53 4.02 -1.26 -4.59 117.16 115.16 2a3r n TYR 240 Ca 0.22 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.23 2a3r n TYR 240 Cb 0.60 -3.04 0.61 0.00 -0.02 0.00 0.00 39.34 37.49 2a3r n TYR 240 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2a3r n THR 241 N -2.22 0.22 1.48 -0.72 -2.24 -1.26 -3.23 114.28 106.32 2a3r n THR 241 Ca -0.15 0.06 0.12 0.00 -2.27 0.00 0.00 64.05 61.80 2a3r n THR 241 Cb 0.61 -0.64 0.50 0.00 -2.10 0.00 0.00 70.33 68.70 2a3r n THR 241 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2a3r n THR 242 N -1.34 0.09 -3.90 4.28 -2.24 -1.26 -4.86 114.28 105.05 2a3r n THR 242 Ca 0.10 -0.24 -0.31 0.00 -2.27 0.00 0.00 64.05 61.33 2a3r n THR 242 Cb 0.22 0.27 -0.04 0.00 -2.10 0.00 0.00 70.33 68.68 2a3r n THR 242 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2a3r s VAL 243 N -1.91 5.37 0.76 2.28 -7.23 -1.20 -5.07 120.40 113.41 2a3r s VAL 243 Ca 0.35 -0.36 -0.16 0.00 -1.81 0.00 0.00 61.98 60.00 2a3r s VAL 243 Cb 0.19 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.45 2a3r s VAL 243 CO 0.29 0.13 0.38 -2.65 -0.31 0.00 0.00 175.10 172.94 2a3r n PRO 244 N 0.26 0.18 0.00 4.82 -0.02 -1.26 -4.76 135.00 134.22 2a3r n PRO 244 Ca -0.05 0.10 0.11 0.00 -2.02 0.00 0.00 63.50 61.64 2a3r n PRO 244 Cb 0.51 -1.72 0.67 0.00 -0.02 0.00 0.00 33.50 32.94 2a3r n PRO 244 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2a3r n GLN 245 N -0.51 0.97 0.02 -0.52 -0.00 -1.25 -2.23 117.38 113.87 2a3r n GLN 245 Ca 0.09 0.00 0.11 0.00 -0.00 0.00 0.00 57.00 57.20 2a3r n GLN 245 Cb 0.51 -1.37 0.04 0.00 -0.00 0.00 0.00 30.24 29.42 2a3r n GLN 245 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2a3r n GLU 246 N -0.87 0.22 -0.13 2.61 -0.58 -1.26 -3.96 120.64 116.67 2a3r n GLU 246 Ca 0.17 -0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.63 2a3r n GLU 246 Cb 0.08 -1.57 -0.09 0.00 -0.57 0.00 0.00 31.44 29.28 2a3r n GLU 246 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2a3r n LEU 247 N -1.85 1.85 -3.83 -4.62 7.99 -1.08 -4.60 117.00 110.86 2a3r n LEU 247 Ca 0.03 0.32 -0.22 0.00 -0.01 0.00 0.00 56.01 56.13 2a3r n LEU 247 Cb 0.41 -0.77 -0.17 0.00 -0.11 0.00 0.00 43.42 42.78 2a3r n LEU 247 CO 0.40 0.55 -0.40 -0.04 -1.51 0.00 0.00 177.39 176.39 2a3r s MET 248 N -2.48 0.73 -0.77 3.23 -1.94 -0.94 -1.24 119.30 115.89 2a3r s MET 248 Ca -0.37 -0.00 -0.03 0.00 -1.71 0.00 0.00 55.69 53.58 2a3r s MET 248 Cb 0.14 -0.92 0.19 0.00 2.01 0.00 0.00 34.83 36.25 2a3r s MET 248 CO 0.46 -0.20 0.63 0.34 -0.01 0.00 0.00 175.02 176.24 2a3r s ASP 249 N 1.47 5.73 0.56 3.03 -1.08 -0.00 -3.81 116.67 122.57 2a3r s ASP 249 Ca -0.02 -3.24 0.31 0.00 -0.52 0.00 0.00 52.55 49.08 2a3r s ASP 249 Cb -0.13 -1.91 1.70 0.00 -1.46 0.00 0.00 42.92 41.11 2a3r s ASP 249 CO -0.03 -0.30 1.94 0.45 0.52 0.00 0.00 175.17 177.75 2a3r h HIS 250 N 6.63 0.00 0.00 -5.34 3.86 -1.85 -1.24 115.15 117.21 2a3r h HIS 250 Ca 0.08 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.19 2a3r h HIS 250 Cb 0.90 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.35 2a3r h HIS 250 CO 0.75 0.00 -0.46 0.66 0.86 0.00 0.00 177.93 179.74 2a3r h SER 251 N 0.00 0.00 0.18 2.45 4.64 -1.97 -3.01 113.55 115.84 2a3r h SER 251 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2a3r h SER 251 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2a3r h SER 251 CO 0.00 0.46 -0.09 0.40 -0.87 0.00 0.00 176.83 176.73 2a3r h ILE 252 N 0.00 0.85 -2.05 0.95 2.04 -1.62 -3.46 117.51 114.22 2a3r h ILE 252 Ca -0.00 -1.02 0.05 0.00 1.00 0.00 0.00 64.86 64.89 2a3r h ILE 252 Cb 0.94 1.38 -0.21 0.00 -0.74 0.00 0.00 36.82 38.20 2a3r h ILE 252 CO 0.06 0.20 -0.11 -0.55 0.00 0.00 0.00 178.15 177.75 2a3r s SER 253 N -5.40 -1.03 0.66 1.72 0.15 -1.18 -4.95 113.70 103.66 2a3r s SER 253 Ca -0.13 1.51 -0.18 0.00 0.70 0.00 0.00 55.95 57.85 2a3r s SER 253 Cb 0.01 1.99 -0.00 0.00 -1.71 0.00 0.00 66.02 66.30 2a3r s SER 253 CO 0.50 -0.23 1.29 -2.84 1.20 0.00 0.00 173.24 173.16 2a3r s PRO 254 N 2.54 2.49 0.16 5.44 0.02 -1.14 -4.38 135.00 140.13 2a3r s PRO 254 Ca -0.07 2.04 -0.12 0.00 0.02 0.00 0.00 61.00 62.87 2a3r s PRO 254 Cb -0.10 -1.84 0.04 0.00 0.02 0.00 0.00 34.50 32.62 2a3r s PRO 254 CO -0.19 -1.64 1.64 0.35 -0.33 0.00 0.00 177.00 176.84 2a3r h PHE 255 N 0.45 0.99 -2.78 6.54 3.57 -1.88 -3.27 116.94 120.56 2a3r h PHE 255 Ca -0.51 -0.14 -0.72 0.00 3.53 0.00 0.00 57.97 60.13 2a3r h PHE 255 Cb 1.33 -0.27 -0.20 0.00 2.79 0.00 0.00 35.95 39.61 2a3r h PHE 255 CO 0.42 0.88 0.67 -1.64 -2.23 0.00 0.00 178.31 176.41 2a3r s MET 256 N -5.16 3.65 -0.02 1.11 -1.94 -1.26 -4.91 119.30 110.77 2a3r s MET 256 Ca -0.12 -2.03 -0.02 0.00 -1.71 0.00 0.00 55.69 51.81 2a3r s MET 256 Cb 0.12 -4.80 -0.01 0.00 2.01 0.00 0.00 34.83 32.16 2a3r s MET 256 CO 0.82 -1.64 0.21 -0.09 -0.01 0.00 0.00 175.02 174.32 2a3r h ARG 257 N 8.40 -0.06 0.00 2.03 2.43 -1.96 -3.47 114.38 121.75 2a3r h ARG 257 Ca 0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 2a3r h ARG 257 Cb 1.01 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2a3r h ARG 257 CO 1.02 -0.04 -0.20 1.63 -1.51 0.00 0.00 179.97 180.87 2a3r n LYS 258 N -2.73 0.54 -2.75 0.20 5.02 -1.26 -5.00 118.16 112.17 2a3r n LYS 258 Ca -0.01 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 2a3r n LYS 258 Cb 0.02 -0.60 0.02 0.00 -0.02 0.00 0.00 35.03 34.45 2a3r n LYS 258 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2a3r n GLY 259 N 1.31 -0.34 3.43 0.72 0.00 -1.26 -5.00 105.19 104.05 2a3r n GLY 259 Ca 0.00 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 2a3r n GLY 259 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2a3r s MET 260 N -5.35 2.00 -0.08 1.61 1.00 -1.26 -5.00 119.30 112.23 2a3r s MET 260 Ca 0.19 -1.02 -0.14 0.00 0.00 0.00 0.00 55.69 54.72 2a3r s MET 260 Cb -0.08 -2.14 -0.05 0.00 0.00 0.00 0.00 34.83 32.56 2a3r s MET 260 CO 0.23 0.53 0.34 0.00 0.00 0.00 0.00 175.02 176.13 2a3r s ALA 261 N -0.90 3.67 0.00 3.03 0.00 -1.26 -4.15 121.76 122.15 2a3r s ALA 261 Ca 0.14 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.75 2a3r s ALA 261 Cb -0.10 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.66 2a3r s ALA 261 CO 0.04 0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.55 2a3r n GLY 262 N 2.47 0.63 0.05 0.00 0.00 -1.25 -4.67 105.19 102.41 2a3r n GLY 262 Ca -0.13 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.95 2a3r n GLY 262 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2a3r n ASP 263 N 0.00 0.20 0.23 1.61 2.03 -1.26 -2.80 116.55 116.57 2a3r n ASP 263 Ca 0.00 0.57 0.08 0.00 0.52 0.00 0.00 54.79 55.96 2a3r n ASP 263 Cb 0.00 -0.61 0.58 0.00 -0.72 0.00 0.00 41.12 40.37 2a3r n ASP 263 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 2a3r h TRP 264 N 0.00 0.00 0.00 -0.67 5.08 -1.91 -2.81 115.95 115.64 2a3r h TRP 264 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2a3r h TRP 264 Cb 0.13 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.29 2a3r h TRP 264 CO 0.00 0.19 0.10 0.87 -1.28 0.00 0.00 178.44 178.32 2a3r h LYS 265 N 0.00 0.00 -0.72 0.12 1.57 -1.87 0.39 116.57 116.06 2a3r h LYS 265 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2a3r h LYS 265 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2a3r h LYS 265 CO 0.02 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.15 2a3r n THR 266 N -2.65 1.11 0.00 -0.16 -2.24 -1.06 -4.47 114.28 104.81 2a3r n THR 266 Ca -0.02 -1.03 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 2a3r n THR 266 Cb 0.15 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 2a3r n THR 266 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2a3r n THR 267 N 1.57 0.00 -2.20 4.28 -1.04 0.01 -5.05 114.28 111.86 2a3r n THR 267 Ca 0.25 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.85 2a3r n THR 267 Cb 0.66 -0.59 -0.03 0.00 -1.82 0.00 0.00 70.33 68.55 2a3r n THR 267 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2a3r s PHE 268 N -1.75 3.21 0.59 -1.42 0.40 -0.49 -5.01 117.98 113.50 2a3r s PHE 268 Ca 0.00 1.30 -0.04 0.00 -0.60 0.00 0.00 56.93 57.59 2a3r s PHE 268 Cb 0.00 -3.61 0.02 0.00 0.51 0.00 0.00 43.02 39.94 2a3r s PHE 268 CO 0.00 -1.82 0.88 0.95 0.70 0.00 0.00 175.22 175.93 2a3r s THR 269 N -0.36 3.24 0.28 0.64 -4.23 -1.26 -4.86 115.64 109.08 2a3r s THR 269 Ca 0.54 -0.23 -0.04 0.00 -1.18 0.00 0.00 61.69 60.78 2a3r s THR 269 Cb -0.37 -3.29 0.26 0.00 1.34 0.00 0.00 72.50 70.44 2a3r s THR 269 CO 0.43 -0.27 1.95 0.58 -0.54 0.00 0.00 174.62 176.76 2a3r h VAL 270 N -0.16 1.24 0.14 2.29 2.07 -1.98 -0.01 116.25 119.84 2a3r h VAL 270 Ca -0.45 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 2a3r h VAL 270 Cb 1.28 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2a3r h VAL 270 CO 0.59 0.23 -0.07 0.00 0.02 0.00 0.00 177.57 178.34 2a3r h ALA 271 N 1.43 -0.19 -0.78 1.67 0.00 -2.00 -2.08 119.26 117.31 2a3r h ALA 271 Ca 0.33 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.22 2a3r h ALA 271 Cb -0.13 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 2a3r h ALA 271 CO -0.07 -0.54 0.45 1.96 0.00 0.00 0.00 179.25 181.05 2a3r h GLN 272 N -0.32 0.76 -0.08 0.00 4.20 -1.83 -1.53 115.11 116.32 2a3r h GLN 272 Ca -0.02 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 2a3r h GLN 272 Cb 0.25 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 2a3r h GLN 272 CO 0.03 0.51 -0.16 -0.97 -0.67 0.00 0.00 178.83 177.57 2a3r h ASN 273 N 0.79 0.12 -0.02 1.46 -1.24 -0.80 -0.82 115.58 115.07 2a3r h ASN 273 Ca 0.36 -0.02 -0.13 0.00 0.71 0.00 0.00 56.30 57.22 2a3r h ASN 273 Cb 0.27 -0.03 0.01 0.00 0.73 0.00 0.00 38.32 39.30 2a3r h ASN 273 CO -0.21 0.29 -0.50 -0.33 -1.29 0.00 0.00 177.43 175.39 2a3r h GLU 274 N 0.12 0.38 -0.89 6.67 5.08 -0.60 -2.11 114.58 123.23 2a3r h GLU 274 Ca 0.02 -0.38 0.01 0.00 -1.00 0.00 0.00 59.36 58.02 2a3r h GLU 274 Cb 0.36 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 2a3r h GLU 274 CO 0.02 1.04 0.59 -0.09 -1.00 0.00 0.00 179.01 179.57 2a3r h ARG 275 N -0.15 1.17 -0.39 2.33 2.43 -1.13 -2.61 114.38 116.03 2a3r h ARG 275 Ca -0.06 -0.07 -0.14 0.00 -0.81 0.00 0.00 59.98 58.90 2a3r h ARG 275 Cb 1.20 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 2a3r h ARG 275 CO 0.10 0.78 -0.29 0.35 -1.51 0.00 0.00 179.97 179.40 2a3r h PHE 276 N 1.20 1.04 -0.69 2.20 3.04 -1.17 -2.76 116.94 119.80 2a3r h PHE 276 Ca 0.32 -0.29 -0.07 0.00 3.98 0.00 0.00 57.97 61.92 2a3r h PHE 276 Cb -0.13 -0.23 -0.03 0.00 2.56 0.00 0.00 35.95 38.12 2a3r h PHE 276 CO -0.01 1.09 0.18 -0.44 -2.02 0.00 0.00 178.31 177.11 2a3r h ASP 277 N 0.69 1.04 -0.10 0.41 3.32 -1.14 -0.60 116.42 120.05 2a3r h ASP 277 Ca 0.07 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 2a3r h ASP 277 Cb 0.87 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 2a3r h ASP 277 CO 0.08 1.00 0.04 0.00 -1.72 0.00 0.00 179.24 178.63 2a3r h ALA 278 N 1.08 0.13 -0.48 3.45 0.00 -1.49 -1.21 119.26 120.74 2a3r h ALA 278 Ca 0.22 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2a3r h ALA 278 Cb 0.36 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2a3r h ALA 278 CO 0.00 -0.28 0.26 0.22 0.00 0.00 0.00 179.25 179.46 2a3r h ASP 279 N -0.00 0.39 -0.32 0.00 3.58 -1.33 -2.24 116.42 116.51 2a3r h ASP 279 Ca 0.03 0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.45 2a3r h ASP 279 Cb 0.18 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 2a3r h ASP 279 CO -0.00 0.28 0.04 0.22 -2.88 0.00 0.00 179.24 176.89 2a3r h TYR 280 N 0.52 0.66 -0.59 0.28 5.03 -0.99 -2.00 116.97 119.88 2a3r h TYR 280 Ca 0.21 -0.07 -0.04 0.00 2.58 0.00 0.00 58.73 61.41 2a3r h TYR 280 Cb 0.08 -0.19 -0.03 0.00 1.55 0.00 0.00 36.73 38.14 2a3r h TYR 280 CO -0.09 0.61 0.20 0.00 -1.32 0.00 0.00 178.16 177.56 2a3r h ALA 281 N 1.43 1.23 -0.21 1.82 0.00 -0.64 0.21 119.26 123.09 2a3r h ALA 281 Ca 0.13 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2a3r h ALA 281 Cb 0.33 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2a3r h ALA 281 CO 0.01 0.55 -0.30 0.93 0.00 0.00 0.00 179.25 180.43 2a3r h GLU 282 N 0.87 0.57 -0.03 0.00 5.08 -0.97 -2.93 114.58 117.16 2a3r h GLU 282 Ca 0.20 -0.34 -0.16 0.00 -1.00 0.00 0.00 59.36 58.06 2a3r h GLU 282 Cb 0.23 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2a3r h GLU 282 CO -0.01 0.94 -0.69 0.87 -1.00 0.00 0.00 179.01 179.12 2a3r h LYS 283 N 0.25 0.17 -0.50 2.33 1.57 -1.14 -3.26 116.57 115.99 2a3r h LYS 283 Ca 0.02 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2a3r h LYS 283 Cb 0.88 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.22 2a3r h LYS 283 CO 0.07 0.80 0.00 -1.33 -0.57 0.00 0.00 179.45 178.42 2a3r n MET 284 N -3.78 2.54 0.00 3.15 2.81 0.04 -4.79 117.12 117.08 2a3r n MET 284 Ca -0.02 -2.35 0.00 0.00 -1.81 0.00 0.00 57.70 53.52 2a3r n MET 284 Cb 0.68 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.66 2a3r n MET 284 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2a3r n ALA 285 N 1.49 0.00 0.02 3.04 0.00 -1.11 -1.74 120.51 122.21 2a3r n ALA 285 Ca 0.21 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.66 2a3r n ALA 285 Cb 0.60 0.30 0.18 0.00 0.00 0.00 0.00 19.45 20.53 2a3r n ALA 285 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a3r n GLY 286 N -0.96 2.42 3.85 0.00 0.00 -1.26 -4.93 105.19 104.32 2a3r n GLY 286 Ca 0.00 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 2a3r n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a3r n SER 288 N 2.23 0.00 -4.77 0.00 3.41 -1.26 -4.83 113.62 108.40 2a3r n SER 288 Ca -0.19 -0.06 -0.40 0.00 -0.26 0.00 0.00 58.87 57.97 2a3r n SER 288 Cb 0.54 -0.29 -0.02 0.00 -0.26 0.00 0.00 64.21 64.19 2a3r n SER 288 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2a3r s LEU 289 N -2.57 4.31 -0.04 1.04 1.43 -1.26 -5.04 118.68 116.55 2a3r s LEU 289 Ca 0.23 2.56 -0.02 0.00 -1.03 0.00 0.00 54.13 55.88 2a3r s LEU 289 Cb 0.17 -3.82 0.03 0.00 0.03 0.00 0.00 46.19 42.59 2a3r s LEU 289 CO 0.38 -0.65 0.06 -0.55 0.23 0.00 0.00 176.35 175.82 2a3r s SER 290 N -0.76 0.89 0.03 2.29 0.15 -1.26 -5.12 113.70 109.92 2a3r s SER 290 Ca 0.53 0.08 0.04 0.00 0.70 0.00 0.00 55.95 57.30 2a3r s SER 290 Cb -0.36 -0.12 -0.04 0.00 -1.71 0.00 0.00 66.02 63.80 2a3r s SER 290 CO 0.47 -0.22 -0.08 -0.36 1.20 0.00 0.00 173.24 174.25 2a3r s PHE 291 N 1.92 2.84 -0.35 3.44 0.40 -1.26 -5.09 117.98 119.87 2a3r s PHE 291 Ca 0.02 -0.08 -0.12 0.00 -0.60 0.00 0.00 56.93 56.15 2a3r s PHE 291 Cb -0.12 -1.56 -0.00 0.00 0.51 0.00 0.00 43.02 41.85 2a3r s PHE 291 CO -0.03 0.38 0.22 1.03 0.70 0.00 0.00 175.22 177.52 2a3r s ARG 292 N -1.62 3.25 0.00 0.44 0.52 -1.26 -4.96 118.95 115.31 2a3r s ARG 292 Ca 0.18 -0.81 0.15 0.00 -0.52 0.00 0.00 55.73 54.74 2a3r s ARG 292 Cb -0.11 -3.76 0.81 0.00 0.52 0.00 0.00 34.95 32.40 2a3r s ARG 292 CO 0.09 -0.54 1.41 0.43 0.02 0.00 0.00 175.30 176.72 2a3r n SER 293 N 5.07 0.00 -3.62 0.23 7.64 -1.26 -4.68 113.62 116.99 2a3r n SER 293 Ca -0.12 -0.05 -0.00 0.00 1.01 0.00 0.00 58.87 59.71 2a3r n SER 293 Cb 0.48 -0.23 0.01 0.00 -1.01 0.00 0.00 64.21 63.47 2a3r n SER 293 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2a3r s GLU 294 N -2.45 0.77 0.00 1.43 -1.05 -1.26 -3.86 118.70 112.28 2a3r s GLU 294 Ca 0.16 -0.48 0.06 0.00 -0.15 0.00 0.00 54.97 54.57 2a3r s GLU 294 Cb 0.10 0.23 0.05 0.00 -0.44 0.00 0.00 34.13 34.07 2a3r s GLU 294 CO 0.22 -0.36 0.69 1.28 0.95 0.00 0.00 175.26 178.05