#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r2r s ARG 4 N 0.00 4.36 -0.03 4.33 0.52 -1.26 -4.97 118.95 121.89 1r2r s ARG 4 Ca 0.00 1.72 -0.30 0.00 -0.52 0.00 0.00 55.73 56.63 1r2r s ARG 4 Cb 0.00 -3.52 -0.04 0.00 0.52 0.00 0.00 34.95 31.91 1r2r s ARG 4 CO 0.00 -0.42 1.28 0.21 0.02 0.00 0.00 175.30 176.39 1r2r s LYS 5 N 1.99 4.33 0.29 3.54 2.20 -1.26 -4.96 119.74 125.87 1r2r s LYS 5 Ca 0.57 1.79 -0.30 0.00 -0.36 0.00 0.00 55.97 57.67 1r2r s LYS 5 Cb -0.26 -3.56 -0.12 0.00 -1.51 0.00 0.00 37.83 32.38 1r2r s LYS 5 CO 0.24 -0.50 1.51 0.34 -0.36 0.00 0.00 175.35 176.58 1r2r n PHE 6 N 5.25 2.65 -4.03 4.03 7.35 -1.23 -4.83 117.46 126.66 1r2r n PHE 6 Ca 0.12 0.35 -0.25 0.00 -0.76 0.00 0.00 57.45 56.90 1r2r n PHE 6 Cb 0.45 -2.54 -0.17 0.00 0.35 0.00 0.00 39.48 37.57 1r2r n PHE 6 CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 1r2r s PHE 7 N -0.24 1.33 -0.20 -5.13 5.36 -0.56 -0.67 117.98 117.87 1r2r s PHE 7 Ca 0.63 -0.60 0.01 0.00 -0.96 0.00 0.00 56.93 56.01 1r2r s PHE 7 Cb -0.54 -1.11 0.05 0.00 -0.34 0.00 0.00 43.02 41.08 1r2r s PHE 7 CO 0.52 -0.43 -0.09 0.08 -1.46 0.00 0.00 175.22 173.84 1r2r s VAL 8 N 1.50 1.60 -0.06 3.12 1.01 0.20 -1.15 120.40 126.62 1r2r s VAL 8 Ca 0.00 -1.03 -0.02 0.00 0.00 0.00 0.00 61.98 60.93 1r2r s VAL 8 Cb -0.13 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1r2r s VAL 8 CO -0.05 0.12 0.06 -0.83 0.00 0.00 0.00 175.10 174.40 1r2r s GLY 9 N 1.41 1.98 -0.27 4.51 0.00 0.57 -1.47 107.32 114.04 1r2r s GLY 9 Ca -0.02 -0.80 -0.02 0.00 0.00 0.00 0.00 44.72 43.88 1r2r s GLY 9 CO -0.08 -0.60 -0.02 -0.32 0.00 0.00 0.00 173.10 172.08 1r2r s GLY 10 N -1.25 1.69 -0.50 0.20 0.00 0.44 -0.34 107.32 107.56 1r2r s GLY 10 Ca 0.17 -1.57 -0.18 0.00 0.00 0.00 0.00 44.72 43.14 1r2r s GLY 10 CO 0.07 0.60 0.59 0.21 0.00 0.00 0.00 173.10 174.57 1r2r s ASN 11 N 1.32 6.21 0.12 1.64 2.47 0.59 -0.35 114.94 126.93 1r2r s ASN 11 Ca -0.02 -0.99 0.23 0.00 0.42 0.00 0.00 52.86 52.50 1r2r s ASN 11 Cb -0.18 -2.27 0.90 0.00 -1.45 0.00 0.00 41.25 38.25 1r2r s ASN 11 CO -0.02 -0.85 1.70 0.79 -3.72 0.00 0.00 177.10 174.99 1r2r n TRP 12 N 6.01 0.42 -3.23 0.43 8.01 -0.65 -4.50 117.44 123.93 1r2r n TRP 12 Ca -0.08 0.15 0.00 0.00 -1.31 0.00 0.00 57.50 56.26 1r2r n TRP 12 Cb 0.45 -0.74 0.00 0.00 -2.01 0.00 0.00 31.31 29.01 1r2r n TRP 12 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1r2r n LYS 13 N -1.87 0.00 -2.76 -0.99 5.02 -1.26 -3.15 118.16 113.15 1r2r n LYS 13 Ca 0.04 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 1r2r n LYS 13 Cb 0.28 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.30 1r2r n LYS 13 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1r2r n MET 14 N 4.83 4.55 -4.06 1.97 0.00 -1.26 -3.82 117.12 119.32 1r2r n MET 14 Ca 0.00 -4.35 -0.14 0.00 -0.00 0.00 0.00 57.70 53.22 1r2r n MET 14 Cb 0.00 -2.58 -0.13 0.00 0.00 0.00 0.00 33.22 30.51 1r2r n MET 14 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 1r2r s ASN 15 N -1.17 0.56 0.00 6.12 0.01 -1.19 -5.11 114.94 114.16 1r2r s ASN 15 Ca 0.35 -0.28 0.00 0.00 -0.71 0.00 0.00 52.86 52.23 1r2r s ASN 15 Cb 0.09 -0.00 0.00 0.00 0.41 0.00 0.00 41.25 41.75 1r2r s ASN 15 CO 0.03 -0.08 0.00 0.61 -1.51 0.00 0.00 177.10 176.16 1r2r n GLY 16 N 2.32 2.57 3.37 0.66 0.00 -1.26 -4.69 105.19 108.17 1r2r n GLY 16 Ca -0.17 -1.89 -0.20 0.00 0.00 0.00 0.00 46.02 43.75 1r2r n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r2r s ARG 17 N -3.18 1.67 0.34 1.61 1.81 -1.26 -4.98 118.95 114.97 1r2r s ARG 17 Ca 0.00 -1.97 0.03 0.00 -1.72 0.00 0.00 55.73 52.07 1r2r s ARG 17 Cb 0.00 -0.19 0.64 0.00 -0.45 0.00 0.00 34.95 34.95 1r2r s ARG 17 CO 0.00 -0.46 1.96 0.87 -0.68 0.00 0.00 175.30 177.00 1r2r h LYS 18 N 2.13 0.85 0.50 3.54 1.57 -1.99 -0.76 116.57 122.40 1r2r h LYS 18 Ca -0.33 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.37 1r2r h LYS 18 Cb 1.25 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1r2r h LYS 18 CO 0.52 0.56 -0.24 -0.22 -0.57 0.00 0.00 179.45 179.51 1r2r h LYS 19 N 0.87 -0.64 -0.01 3.15 3.64 -1.98 0.68 116.57 122.28 1r2r h LYS 19 Ca 0.31 0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.59 1r2r h LYS 19 Cb 0.11 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1r2r h LYS 19 CO -0.09 -0.35 -0.66 -2.95 -2.27 0.00 0.00 179.45 173.13 1r2r h ASN 20 N -1.05 0.06 -0.13 4.20 7.08 -1.96 -1.46 115.58 122.32 1r2r h ASN 20 Ca -0.07 -0.04 -0.14 0.00 -3.08 0.00 0.00 56.30 52.97 1r2r h ASN 20 Cb 0.59 -0.02 -0.01 0.00 -2.08 0.00 0.00 38.32 36.80 1r2r h ASN 20 CO 0.11 0.70 -0.42 -0.07 -2.08 0.00 0.00 177.43 175.67 1r2r h LEU 21 N 0.04 0.72 -1.01 6.14 3.38 -1.20 -1.36 115.31 122.01 1r2r h LEU 21 Ca -0.01 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 1r2r h LEU 21 Cb 1.16 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 1r2r h LEU 21 CO 0.09 1.04 0.51 1.23 0.09 0.00 0.00 178.44 181.41 1r2r h GLY 22 N 0.97 1.28 1.04 0.83 0.00 -0.62 0.25 103.07 106.83 1r2r h GLY 22 Ca 0.04 -0.55 -0.08 0.00 0.00 0.00 0.00 47.33 46.75 1r2r h GLY 22 CO 0.09 0.53 0.06 0.83 0.00 0.00 0.00 176.54 178.05 1r2r h GLU 23 N 1.22 1.00 -0.51 4.80 5.08 -1.12 -1.63 114.58 123.41 1r2r h GLU 23 Ca 0.31 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1r2r h GLU 23 Cb -0.03 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1r2r h GLU 23 CO -0.06 0.96 0.21 1.25 -1.00 0.00 0.00 179.01 180.38 1r2r h LEU 24 N 0.89 0.70 -0.69 1.33 5.85 -0.76 -2.71 115.31 119.93 1r2r h LEU 24 Ca 0.17 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1r2r h LEU 24 Cb 0.47 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1r2r h LEU 24 CO 0.02 0.67 0.32 0.40 -0.34 0.00 0.00 178.44 179.51 1r2r h ILE 25 N 0.69 1.23 -0.66 4.05 2.04 -0.81 -1.52 117.51 122.53 1r2r h ILE 25 Ca 0.17 -0.66 0.08 0.00 1.00 0.00 0.00 64.86 65.45 1r2r h ILE 25 Cb 0.18 0.40 -0.06 0.00 -0.74 0.00 0.00 36.82 36.59 1r2r h ILE 25 CO -0.02 0.27 0.33 0.74 0.00 0.00 0.00 178.15 179.48 1r2r h THR 26 N 0.96 0.88 -0.12 -0.27 2.02 -1.13 0.52 112.91 115.76 1r2r h THR 26 Ca 0.23 -0.20 -0.11 0.00 0.77 0.00 0.00 66.41 67.10 1r2r h THR 26 Cb 0.13 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1r2r h THR 26 CO -0.03 0.11 -0.41 0.71 0.37 0.00 0.00 175.52 176.26 1r2r h THR 27 N 0.58 1.31 -0.40 3.16 1.35 -1.08 -2.41 112.91 115.42 1r2r h THR 27 Ca 0.32 -1.54 -0.16 0.00 -0.55 0.00 0.00 66.41 64.48 1r2r h THR 27 Cb 0.30 1.68 -0.01 0.00 -1.73 0.00 0.00 68.15 68.39 1r2r h THR 27 CO -0.24 0.46 -0.36 -0.07 -0.25 0.00 0.00 175.52 175.06 1r2r h LEU 28 N 0.23 1.01 -1.61 3.87 3.38 -0.37 -2.76 115.31 119.07 1r2r h LEU 28 Ca 0.02 -0.46 -0.03 0.00 0.09 0.00 0.00 57.88 57.51 1r2r h LEU 28 Cb 0.83 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1r2r h LEU 28 CO 0.07 1.26 -0.03 0.78 0.09 0.00 0.00 178.44 180.61 1r2r h ASN 29 N 0.77 0.20 1.58 -0.43 2.35 -0.80 -2.39 115.58 116.86 1r2r h ASN 29 Ca 0.07 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1r2r h ASN 29 Cb 0.96 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 39.28 1r2r h ASN 29 CO 0.09 0.26 -0.01 0.00 -1.65 0.00 0.00 177.43 176.13 1r2r h ALA 30 N 1.77 1.00 -2.56 -0.83 0.00 -1.21 -3.46 119.26 113.97 1r2r h ALA 30 Ca 0.05 -0.01 -0.49 0.00 0.00 0.00 0.00 54.91 54.47 1r2r h ALA 30 Cb 0.19 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.01 1r2r h ALA 30 CO 0.01 0.01 0.43 0.00 0.00 0.00 0.00 179.25 179.70 1r2r s ALA 31 N -3.40 3.09 -0.42 0.00 0.00 -0.90 -4.99 121.76 115.14 1r2r s ALA 31 Ca 0.04 0.75 -0.29 0.00 0.00 0.00 0.00 51.96 52.47 1r2r s ALA 31 Cb 0.07 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.91 1r2r s ALA 31 CO 0.62 -0.29 1.18 0.21 0.00 0.00 0.00 175.76 177.48 1r2r s LYS 32 N -2.47 3.80 -0.31 0.00 2.20 -1.26 -4.99 119.74 116.70 1r2r s LYS 32 Ca 0.58 0.80 -0.16 0.00 -0.36 0.00 0.00 55.97 56.82 1r2r s LYS 32 Cb -0.24 -3.88 -0.02 0.00 -1.51 0.00 0.00 37.83 32.18 1r2r s LYS 32 CO 0.30 -1.28 0.43 0.08 -0.36 0.00 0.00 175.35 174.52 1r2r s VAL 33 N 4.41 5.11 0.42 4.02 1.01 -1.26 -4.97 120.40 129.13 1r2r s VAL 33 Ca 0.50 0.41 -0.25 0.00 0.00 0.00 0.00 61.98 62.64 1r2r s VAL 33 Cb -0.10 -3.82 -0.08 0.00 0.00 0.00 0.00 36.38 32.37 1r2r s VAL 33 CO 0.27 -0.02 1.27 -2.84 0.00 0.00 0.00 175.10 173.78 1r2r s PRO 34 N 2.18 3.93 0.49 2.72 0.02 -1.26 -4.92 135.00 138.16 1r2r s PRO 34 Ca 0.16 2.07 0.19 0.00 0.02 0.00 0.00 61.00 63.44 1r2r s PRO 34 Cb -0.16 -2.69 1.23 0.00 0.02 0.00 0.00 34.50 32.89 1r2r s PRO 34 CO 0.11 -0.50 2.07 0.00 -0.33 0.00 0.00 177.00 178.35 1r2r h ALA 35 N 2.57 1.67 -0.06 -1.55 0.00 -2.00 -2.54 119.26 117.34 1r2r h ALA 35 Ca -0.49 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1r2r h ALA 35 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1r2r h ALA 35 CO 0.62 0.15 0.00 -0.40 0.00 0.00 0.00 179.25 179.62 1r2r n ASP 36 N -4.20 0.33 -3.95 0.00 5.68 -1.26 -4.80 116.55 108.35 1r2r n ASP 36 Ca -0.03 -1.87 -0.21 0.00 -0.50 0.00 0.00 54.79 52.19 1r2r n ASP 36 Cb 0.19 -0.04 -0.16 0.00 -1.14 0.00 0.00 41.12 39.98 1r2r n ASP 36 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1r2r s THR 37 N -1.93 0.71 -0.27 2.12 2.01 -0.96 -3.53 115.64 113.79 1r2r s THR 37 Ca 0.10 -0.26 -0.15 0.00 0.31 0.00 0.00 61.69 61.69 1r2r s THR 37 Cb 0.05 -0.68 -0.03 0.00 0.01 0.00 0.00 72.50 71.85 1r2r s THR 37 CO 0.08 0.25 0.40 -0.70 -0.69 0.00 0.00 174.62 173.96 1r2r s GLU 38 N 0.63 4.02 -0.11 4.92 2.12 0.16 -4.72 118.70 125.72 1r2r s GLU 38 Ca -0.10 0.09 0.01 0.00 0.36 0.00 0.00 54.97 55.33 1r2r s GLU 38 Cb -0.13 -3.66 -0.02 0.00 0.26 0.00 0.00 34.13 30.59 1r2r s GLU 38 CO 0.01 -0.30 -0.14 0.08 -0.54 0.00 0.00 175.26 174.37 1r2r s VAL 39 N 2.12 2.96 -0.01 3.70 1.01 -1.26 -0.63 120.40 128.29 1r2r s VAL 39 Ca 0.16 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.44 1r2r s VAL 39 Cb -0.16 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1r2r s VAL 39 CO 0.10 0.54 -0.05 -0.69 0.00 0.00 0.00 175.10 175.00 1r2r s VAL 40 N 0.06 0.44 -0.06 2.92 1.01 -0.54 -1.63 120.40 122.59 1r2r s VAL 40 Ca -0.06 -0.19 0.06 0.00 0.00 0.00 0.00 61.98 61.79 1r2r s VAL 40 Cb -0.15 -0.40 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 1r2r s VAL 40 CO 0.05 0.14 -0.23 0.00 0.00 0.00 0.00 175.10 175.06 1r2r s ALA 42 N -0.24 3.32 0.79 0.00 0.00 0.53 -0.87 121.76 125.29 1r2r s ALA 42 Ca -0.01 -2.97 -0.12 0.00 0.00 0.00 0.00 51.96 48.86 1r2r s ALA 42 Cb -0.13 -2.40 0.07 0.00 0.00 0.00 0.00 23.12 20.66 1r2r s ALA 42 CO 0.03 -1.95 1.11 -1.25 0.00 0.00 0.00 175.76 173.71 1r2r s PRO 43 N 0.35 2.13 0.77 0.00 0.04 -1.24 -1.64 135.00 135.40 1r2r s PRO 43 Ca 0.14 0.46 -0.15 0.00 0.04 0.00 0.00 61.00 61.49 1r2r s PRO 43 Cb -0.22 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.40 1r2r s PRO 43 CO -0.04 -1.55 0.89 -2.30 0.04 0.00 0.00 177.00 174.04 1r2r n PRO 44 N -3.35 0.30 0.21 0.56 -0.02 -1.25 -4.42 135.00 127.03 1r2r n PRO 44 Ca 0.07 0.16 0.05 0.00 -2.02 0.00 0.00 63.50 61.76 1r2r n PRO 44 Cb 0.58 -2.16 0.49 0.00 -0.02 0.00 0.00 33.50 32.38 1r2r n PRO 44 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1r2r h THR 45 N -0.59 1.14 0.00 3.45 2.02 -1.95 0.62 112.91 117.60 1r2r h THR 45 Ca -0.46 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.07 1r2r h THR 45 Cb 1.32 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1r2r h THR 45 CO 0.44 0.19 0.00 0.00 0.37 0.00 0.00 175.52 176.52 1r2r h ALA 46 N 1.80 1.00 -0.03 6.16 0.00 -2.01 -3.18 119.26 123.00 1r2r h ALA 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1r2r h ALA 46 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1r2r h ALA 46 CO 0.02 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.93 1r2r n TYR 47 N -2.48 0.06 0.04 0.00 4.01 0.20 -4.73 117.16 114.26 1r2r n TYR 47 Ca 0.00 -0.74 -0.11 0.00 -0.16 0.00 0.00 57.90 56.89 1r2r n TYR 47 Cb 0.16 -0.11 -0.05 0.00 -0.31 0.00 0.00 39.34 39.03 1r2r n TYR 47 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1r2r h ILE 48 N 0.16 0.80 0.18 -0.72 2.04 -1.52 0.69 117.51 119.14 1r2r h ILE 48 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1r2r h ILE 48 Cb 0.78 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1r2r h ILE 48 CO 0.01 0.00 -0.09 -0.78 0.00 0.00 0.00 178.15 177.29 1r2r h ASP 49 N -0.13 -0.20 -0.24 1.72 3.58 -1.85 -1.08 116.42 118.22 1r2r h ASP 49 Ca 0.04 -0.02 0.06 0.00 0.42 0.00 0.00 57.03 57.52 1r2r h ASP 49 Cb 0.17 0.05 -0.06 0.00 1.72 0.00 0.00 39.33 41.22 1r2r h ASP 49 CO -0.09 -0.11 -0.14 0.15 -2.88 0.00 0.00 179.24 176.16 1r2r h PHE 50 N -0.27 -0.36 -0.62 0.28 3.57 -1.83 -1.47 116.94 116.25 1r2r h PHE 50 Ca -0.02 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 1r2r h PHE 50 Cb 0.21 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 1r2r h PHE 50 CO -0.06 -0.21 0.28 0.00 -2.23 0.00 0.00 178.31 176.09 1r2r h ALA 51 N 1.04 0.80 -0.70 2.41 0.00 -0.72 -2.16 119.26 119.93 1r2r h ALA 51 Ca 0.13 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1r2r h ALA 51 Cb 0.32 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1r2r h ALA 51 CO -0.32 0.38 0.32 -0.09 0.00 0.00 0.00 179.25 179.54 1r2r h ARG 52 N 0.85 1.00 -0.11 0.00 9.65 -0.88 0.05 114.38 124.94 1r2r h ARG 52 Ca 0.21 -0.15 -0.09 0.00 -1.10 0.00 0.00 59.98 58.85 1r2r h ARG 52 Cb 0.16 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 1r2r h ARG 52 CO -0.02 0.79 -0.35 1.96 2.80 0.00 0.00 179.97 185.15 1r2r h GLN 53 N 1.00 0.22 0.01 0.20 4.20 -0.94 -3.30 115.11 116.50 1r2r h GLN 53 Ca 0.24 -0.09 -0.32 0.00 0.06 0.00 0.00 58.65 58.54 1r2r h GLN 53 Cb 0.13 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.85 1r2r h GLN 53 CO -0.03 0.55 -1.92 1.63 -0.67 0.00 0.00 178.83 178.39 1r2r n LYS 54 N -4.08 0.66 -2.62 1.46 4.76 -0.84 -4.93 118.16 112.56 1r2r n LYS 54 Ca -0.01 0.22 -0.40 0.00 -2.87 0.00 0.00 58.31 55.25 1r2r n LYS 54 Cb 0.43 -1.71 -0.05 0.00 -1.84 0.00 0.00 35.03 31.85 1r2r n LYS 54 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1r2r s LEU 55 N -6.06 4.58 0.49 -0.35 1.43 -0.03 -4.91 118.68 113.83 1r2r s LEU 55 Ca -0.09 2.09 -0.24 0.00 -1.03 0.00 0.00 54.13 54.87 1r2r s LEU 55 Cb 0.07 -3.65 -0.07 0.00 0.03 0.00 0.00 46.19 42.58 1r2r s LEU 55 CO 0.81 0.00 1.41 -0.62 0.23 0.00 0.00 176.35 178.18 1r2r s ASP 56 N -1.07 5.58 0.66 2.29 -1.08 -1.26 -4.90 116.67 116.89 1r2r s ASP 56 Ca 0.43 2.88 0.36 0.00 -0.52 0.00 0.00 52.55 55.70 1r2r s ASP 56 Cb -0.28 -2.65 1.97 0.00 -1.46 0.00 0.00 42.92 40.50 1r2r s ASP 56 CO 0.36 -1.37 2.11 -0.65 0.52 0.00 0.00 175.17 176.14 1r2r h PRO 57 N 1.93 0.00 0.00 4.34 0.11 -1.95 -1.95 132.00 134.48 1r2r h PRO 57 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1r2r h PRO 57 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1r2r h PRO 57 CO 0.59 0.00 0.00 1.57 -0.21 0.00 0.00 178.00 179.95 1r2r h LYS 58 N 0.00 0.00 -5.25 1.05 2.10 -1.98 -3.39 116.57 109.10 1r2r h LYS 58 Ca 0.00 0.00 -0.65 0.00 -2.00 0.00 0.00 60.65 58.00 1r2r h LYS 58 Cb 0.39 0.00 -0.26 0.00 -0.90 0.00 0.00 32.23 31.46 1r2r h LYS 58 CO -0.00 0.00 -0.74 0.42 -2.00 0.00 0.00 179.45 177.13 1r2r s ILE 59 N -3.78 3.23 0.42 0.07 1.01 -0.73 -4.61 121.20 116.82 1r2r s ILE 59 Ca -0.02 -0.58 -0.08 0.00 0.00 0.00 0.00 60.65 59.96 1r2r s ILE 59 Cb 0.10 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 40.12 1r2r s ILE 59 CO 0.36 0.50 0.76 0.00 0.00 0.00 0.00 174.94 176.56 1r2r s ALA 60 N 0.58 3.39 -0.06 9.38 0.00 -0.65 -4.79 121.76 129.61 1r2r s ALA 60 Ca -0.06 -0.33 0.02 0.00 0.00 0.00 0.00 51.96 51.58 1r2r s ALA 60 Cb -0.15 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 1r2r s ALA 60 CO 0.03 -0.11 -0.10 0.08 0.00 0.00 0.00 175.76 175.66 1r2r s VAL 61 N -2.48 3.47 0.03 0.00 1.01 -1.26 -1.05 120.40 120.12 1r2r s VAL 61 Ca 0.49 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 61.98 1r2r s VAL 61 Cb -0.10 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1r2r s VAL 61 CO 0.36 0.59 -0.24 0.00 0.00 0.00 0.00 175.10 175.81 1r2r s ALA 62 N -0.78 2.32 0.53 5.51 0.00 -0.05 -1.58 121.76 127.71 1r2r s ALA 62 Ca 0.12 -1.22 -0.16 0.00 0.00 0.00 0.00 51.96 50.69 1r2r s ALA 62 Cb -0.11 -0.55 -0.07 0.00 0.00 0.00 0.00 23.12 22.39 1r2r s ALA 62 CO 0.01 0.54 1.00 0.00 0.00 0.00 0.00 175.76 177.31 1r2r s ALA 63 N -0.80 3.00 -1.19 0.00 0.00 -0.50 -3.70 121.76 118.57 1r2r s ALA 63 Ca 0.12 0.22 0.27 0.00 0.00 0.00 0.00 51.96 52.57 1r2r s ALA 63 Cb -0.10 -3.14 0.86 0.00 0.00 0.00 0.00 23.12 20.74 1r2r s ALA 63 CO 0.02 -0.36 1.65 1.04 0.00 0.00 0.00 175.76 178.11 1r2r n GLN 64 N -1.68 0.21 -3.61 0.00 6.02 -1.26 -0.71 117.38 116.35 1r2r n GLN 64 Ca 0.07 -0.09 -0.01 0.00 -0.01 0.00 0.00 57.00 56.96 1r2r n GLN 64 Cb 0.54 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.29 1r2r n GLN 64 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1r2r s ASN 65 N -2.85 -0.07 0.32 1.08 2.47 -1.21 -4.55 114.94 110.13 1r2r s ASN 65 Ca 0.16 -0.06 -0.18 0.00 0.42 0.00 0.00 52.86 53.21 1r2r s ASN 65 Cb 0.19 0.12 0.03 0.00 -1.45 0.00 0.00 41.25 40.14 1r2r s ASN 65 CO 0.60 -0.21 0.74 0.00 -3.72 0.00 0.00 177.10 174.51 1r2r n TYR 67 N -0.49 -2.26 0.17 0.00 9.36 0.35 -4.94 117.16 119.34 1r2r n TYR 67 Ca -0.06 -0.65 0.06 0.00 3.32 0.00 0.00 57.90 60.57 1r2r n TYR 67 Cb 0.59 -0.15 0.11 0.00 -0.63 0.00 0.00 39.34 39.26 1r2r n TYR 67 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1r2r n LYS 68 N -1.21 1.72 -4.27 2.98 2.85 -1.26 -4.50 118.16 114.47 1r2r n LYS 68 Ca 0.03 -1.64 -0.15 0.00 -1.05 0.00 0.00 58.31 55.50 1r2r n LYS 68 Cb 0.18 -1.26 -0.10 0.00 -0.65 0.00 0.00 35.03 33.20 1r2r n LYS 68 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1r2r s VAL 69 N -1.00 0.65 0.06 0.58 -7.23 -1.26 -4.78 120.40 107.42 1r2r s VAL 69 Ca 0.19 -1.99 0.09 0.00 -1.81 0.00 0.00 61.98 58.46 1r2r s VAL 69 Cb 0.11 -2.34 -0.19 0.00 0.56 0.00 0.00 36.38 34.53 1r2r s VAL 69 CO 0.16 -0.28 1.16 0.00 -0.31 0.00 0.00 175.10 175.83 1r2r h THR 70 N 2.56 1.44 -3.28 5.32 1.03 -1.99 -3.43 112.91 114.56 1r2r h THR 70 Ca -0.37 -3.14 -0.07 0.00 -0.01 0.00 0.00 66.41 62.81 1r2r h THR 70 Cb 1.22 2.71 -0.15 0.00 -1.07 0.00 0.00 68.15 70.86 1r2r h THR 70 CO 0.62 0.82 -0.15 0.20 -0.01 0.00 0.00 175.52 177.00 1r2r s ASN 71 N -6.54 -0.19 0.00 0.00 0.01 -1.26 -4.74 114.94 102.22 1r2r s ASN 71 Ca 0.00 -0.21 0.00 0.00 -0.71 0.00 0.00 52.86 51.94 1r2r s ASN 71 Cb 0.09 0.42 0.00 0.00 0.41 0.00 0.00 41.25 42.17 1r2r s ASN 71 CO 0.81 -0.72 0.00 0.61 -1.51 0.00 0.00 177.10 176.29 1r2r n GLY 72 N 0.22 -1.75 3.02 0.66 0.00 -1.26 -5.02 105.19 101.06 1r2r n GLY 72 Ca -0.17 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.26 1r2r n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r2r n ALA 73 N 0.00 5.03 -3.38 4.61 0.00 -1.26 -4.74 120.51 120.77 1r2r n ALA 73 Ca 0.00 -4.42 -0.26 0.00 0.00 0.00 0.00 53.44 48.77 1r2r n ALA 73 Cb 0.00 -2.85 -0.08 0.00 0.00 0.00 0.00 19.45 16.52 1r2r n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1r2r n PHE 74 N 3.62 1.01 -1.64 0.00 3.72 -1.26 -5.10 117.46 117.81 1r2r n PHE 74 Ca 0.36 -3.76 -0.52 0.00 -0.05 0.00 0.00 57.45 53.48 1r2r n PHE 74 Cb 0.37 -0.31 -0.06 0.00 -0.94 0.00 0.00 39.48 38.54 1r2r n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1r2r n THR 75 N 1.62 0.11 -0.38 4.37 -1.04 -1.26 -1.62 114.28 116.08 1r2r n THR 75 Ca 0.25 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 1r2r n THR 75 Cb 0.47 -1.11 0.00 0.00 -1.82 0.00 0.00 70.33 67.87 1r2r n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1r2r n GLY 76 N 3.18 0.72 3.73 3.41 0.00 -1.26 -5.07 105.19 109.90 1r2r n GLY 76 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 1r2r n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r2r s GLU 77 N -0.62 2.41 0.07 1.61 0.41 -0.64 -5.13 118.70 116.82 1r2r s GLU 77 Ca 0.00 -1.48 0.04 0.00 -0.41 0.00 0.00 54.97 53.12 1r2r s GLU 77 Cb 0.00 -2.21 -0.03 0.00 -1.78 0.00 0.00 34.13 30.11 1r2r s GLU 77 CO 0.00 0.17 -0.12 0.96 -0.49 0.00 0.00 175.26 175.78 1r2r s ILE 78 N -2.38 0.95 0.25 -1.63 -4.36 -1.26 -5.01 121.20 107.75 1r2r s ILE 78 Ca 0.36 -1.33 0.06 0.00 -0.26 0.00 0.00 60.65 59.49 1r2r s ILE 78 Cb -0.04 -1.03 -0.03 0.00 1.25 0.00 0.00 42.46 42.61 1r2r s ILE 78 CO 0.22 -0.33 0.27 -0.94 0.24 0.00 0.00 174.94 174.41 1r2r s SER 79 N -1.85 5.88 0.33 4.36 1.04 -1.26 -0.50 113.70 121.69 1r2r s SER 79 Ca -0.02 -0.11 0.09 0.00 0.48 0.00 0.00 55.95 56.39 1r2r s SER 79 Cb -0.09 -1.60 0.84 0.00 0.10 0.00 0.00 66.02 65.27 1r2r s SER 79 CO 0.01 -0.05 1.78 -0.65 0.98 0.00 0.00 173.24 175.31 1r2r h PRO 80 N 1.35 0.64 -0.92 4.02 0.11 -1.84 -1.33 132.00 134.03 1r2r h PRO 80 Ca -0.50 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 65.65 1r2r h PRO 80 Cb 1.23 -0.15 -0.06 0.00 0.11 0.00 0.00 31.00 32.14 1r2r h PRO 80 CO 0.61 0.43 0.59 0.78 -0.21 0.00 0.00 178.00 180.20 1r2r h GLY 81 N 0.66 1.35 1.07 -0.55 0.00 -1.90 -0.34 103.07 103.36 1r2r h GLY 81 Ca 0.58 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 47.37 1r2r h GLY 81 CO -0.37 0.28 -0.28 -0.33 0.00 0.00 0.00 176.54 175.84 1r2r h MET 82 N 1.01 0.89 -0.09 4.80 2.86 -1.59 -1.27 114.93 121.55 1r2r h MET 82 Ca 0.40 -0.43 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1r2r h MET 82 Cb 0.26 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1r2r h MET 82 CO -0.16 1.08 -0.01 0.82 1.06 0.00 0.00 176.91 179.70 1r2r h ILE 83 N 0.71 0.93 -0.83 -1.22 2.04 -0.90 -1.61 117.51 116.62 1r2r h ILE 83 Ca 0.08 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 1r2r h ILE 83 Cb 0.86 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 1r2r h ILE 83 CO 0.08 0.00 0.48 0.11 0.00 0.00 0.00 178.15 178.81 1r2r h LYS 84 N 0.02 1.14 0.00 2.37 1.79 -1.06 -2.31 116.57 118.52 1r2r h LYS 84 Ca 0.04 -0.11 -0.04 0.00 -2.18 0.00 0.00 60.65 58.35 1r2r h LYS 84 Cb 0.05 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 30.47 1r2r h LYS 84 CO -0.08 0.81 -0.20 0.22 -1.08 0.00 0.00 179.45 179.12 1r2r h ASP 85 N 1.15 0.00 -0.05 0.86 3.58 -0.78 -0.93 116.42 120.25 1r2r h ASP 85 Ca 0.30 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.75 1r2r h ASP 85 Cb -0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.04 1r2r h ASP 85 CO -0.05 0.20 0.00 0.00 -2.88 0.00 0.00 179.24 176.51 1r2r n GLY 87 N 1.00 0.73 3.82 0.00 0.00 -0.35 -4.61 105.19 105.79 1r2r n GLY 87 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1r2r n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r2r s ALA 88 N -2.66 3.08 0.00 4.61 0.00 -0.99 -4.74 121.76 121.06 1r2r s ALA 88 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.30 1r2r s ALA 88 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1r2r s ALA 88 CO 0.00 0.14 0.48 0.25 0.00 0.00 0.00 175.76 176.63 1r2r n THR 89 N -0.64 0.10 -4.18 0.00 -2.24 -0.61 -3.95 114.28 102.75 1r2r n THR 89 Ca 0.07 -0.47 -0.12 0.00 -2.27 0.00 0.00 64.05 61.25 1r2r n THR 89 Cb 0.54 1.09 -0.10 0.00 -2.10 0.00 0.00 70.33 69.76 1r2r n THR 89 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1r2r s TRP 90 N -0.10 0.99 -0.00 4.78 0.52 -1.13 -0.89 118.94 123.10 1r2r s TRP 90 Ca 0.00 -0.80 0.01 0.00 0.02 0.00 0.00 56.10 55.34 1r2r s TRP 90 Cb 0.00 -0.55 -0.00 0.00 -1.15 0.00 0.00 33.47 31.77 1r2r s TRP 90 CO 0.00 -0.07 -0.04 0.54 0.02 0.00 0.00 176.95 177.40 1r2r s VAL 91 N -3.15 0.35 -0.13 4.03 0.11 -0.31 -1.41 120.40 119.89 1r2r s VAL 91 Ca 0.10 -0.18 -0.22 0.00 -2.93 0.00 0.00 61.98 58.74 1r2r s VAL 91 Cb 0.02 -0.31 -0.03 0.00 -1.53 0.00 0.00 36.38 34.53 1r2r s VAL 91 CO -0.02 0.10 0.67 -0.69 -3.33 0.00 0.00 175.10 171.83 1r2r s VAL 92 N -0.06 5.03 0.01 2.04 1.01 0.11 -1.14 120.40 127.41 1r2r s VAL 92 Ca 0.01 1.32 0.05 0.00 0.00 0.00 0.00 61.98 63.37 1r2r s VAL 92 Cb -0.02 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 1r2r s VAL 92 CO -0.00 0.18 -0.16 -0.76 0.00 0.00 0.00 175.10 174.36 1r2r s LEU 93 N 1.36 2.10 -0.45 3.92 1.43 -0.11 -3.36 118.68 123.58 1r2r s LEU 93 Ca 0.33 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1r2r s LEU 93 Cb -0.17 -0.75 0.00 0.00 0.03 0.00 0.00 46.19 45.30 1r2r s LEU 93 CO 0.14 0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.46 1r2r n GLY 94 N 2.29 0.70 3.64 -3.19 0.00 -1.26 -1.10 105.19 106.27 1r2r n GLY 94 Ca -0.16 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 1r2r n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1r2r n HIS 95 N -2.83 1.48 -0.32 1.61 -0.00 -1.26 -4.45 115.22 109.46 1r2r n HIS 95 Ca -0.04 0.54 0.23 0.00 0.46 0.00 0.00 57.72 58.91 1r2r n HIS 95 Cb 0.16 -2.27 0.51 0.00 -0.12 0.00 0.00 29.99 28.27 1r2r n HIS 95 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1r2r h SER 96 N 1.69 0.44 -0.15 0.26 4.64 -1.94 0.11 113.55 118.60 1r2r h SER 96 Ca -0.45 0.08 -0.13 0.00 -0.47 0.00 0.00 61.79 60.81 1r2r h SER 96 Cb 1.32 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.41 1r2r h SER 96 CO 0.58 0.09 -0.35 -0.33 -0.87 0.00 0.00 176.83 175.95 1r2r h GLU 97 N 0.39 0.67 -0.60 4.77 5.08 -1.97 0.12 114.58 123.04 1r2r h GLU 97 Ca 0.59 -0.32 -0.09 0.00 -1.00 0.00 0.00 59.36 58.54 1r2r h GLU 97 Cb 1.50 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.72 1r2r h GLU 97 CO -0.29 0.92 0.01 0.00 -1.00 0.00 0.00 179.01 178.65 1r2r h ARG 98 N 0.56 1.05 -0.19 2.33 2.47 -1.15 -0.59 114.38 118.86 1r2r h ARG 98 Ca 0.06 -0.33 -0.10 0.00 -1.26 0.00 0.00 59.98 58.34 1r2r h ARG 98 Cb 0.86 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 29.09 1r2r h ARG 98 CO 0.07 1.03 -0.29 0.00 0.56 0.00 0.00 179.97 181.34 1r2r h ARG 99 N 0.95 0.53 0.00 0.04 3.08 -1.05 -1.24 114.38 116.69 1r2r h ARG 99 Ca 0.17 -0.32 -0.24 0.00 0.07 0.00 0.00 59.98 59.67 1r2r h ARG 99 Cb 0.55 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.58 1r2r h ARG 99 CO 0.03 0.92 -2.03 0.72 -1.07 0.00 0.00 179.97 178.54 1r2r n HIS 100 N -4.36 0.00 -0.01 3.04 8.25 0.39 -2.30 115.22 120.23 1r2r n HIS 100 Ca -0.06 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.19 1r2r n HIS 100 Cb 0.47 -0.71 -0.13 0.00 1.12 0.00 0.00 29.99 30.73 1r2r n HIS 100 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1r2r h VAL 101 N 0.00 0.90 -0.09 1.59 2.07 -1.26 -3.41 116.25 116.04 1r2r h VAL 101 Ca -0.35 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 64.82 1r2r h VAL 101 Cb 1.76 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 34.10 1r2r h VAL 101 CO 0.02 0.70 0.00 0.49 0.02 0.00 0.00 177.57 178.80 1r2r n PHE 102 N -3.88 0.10 -1.69 1.57 3.72 -0.96 -5.01 117.46 111.30 1r2r n PHE 102 Ca -0.28 -0.07 -0.10 0.00 -0.05 0.00 0.00 57.45 56.95 1r2r n PHE 102 Cb 0.91 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.42 1r2r n PHE 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1r2r n GLY 103 N 1.01 0.60 3.70 1.37 0.00 -0.71 -4.92 105.19 106.24 1r2r n GLY 103 Ca 0.11 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 1r2r n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r2r s GLU 104 N -3.58 4.27 0.60 1.61 2.02 -0.55 -4.97 118.70 118.09 1r2r s GLU 104 Ca 0.00 2.15 -0.12 0.00 0.02 0.00 0.00 54.97 57.03 1r2r s GLU 104 Cb 0.00 -3.39 -0.04 0.00 0.10 0.00 0.00 34.13 30.79 1r2r s GLU 104 CO 0.00 -0.57 1.02 -1.54 0.02 0.00 0.00 175.26 174.19 1r2r s SER 105 N 1.61 6.28 0.27 -0.19 1.04 -1.26 -4.52 113.70 116.92 1r2r s SER 105 Ca 0.67 1.42 -0.02 0.00 0.48 0.00 0.00 55.95 58.51 1r2r s SER 105 Cb -0.37 -2.47 0.45 0.00 0.10 0.00 0.00 66.02 63.73 1r2r s SER 105 CO 0.30 -0.82 1.85 0.44 0.98 0.00 0.00 173.24 175.99 1r2r h ASP 106 N -0.14 0.93 -0.33 7.02 3.32 -1.99 -1.16 116.42 124.08 1r2r h ASP 106 Ca -0.44 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1r2r h ASP 106 Cb 1.19 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 1r2r h ASP 106 CO 0.62 0.55 0.21 -0.08 -1.72 0.00 0.00 179.24 178.83 1r2r h GLU 107 N 1.04 0.43 -0.49 3.56 4.81 -1.99 -0.77 114.58 121.18 1r2r h GLU 107 Ca 0.44 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.60 1r2r h GLU 107 Cb 0.30 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1r2r h GLU 107 CO -0.21 0.29 0.13 1.25 -0.73 0.00 0.00 179.01 179.73 1r2r h LEU 108 N 0.44 0.73 -0.94 1.64 5.85 -1.87 -1.81 115.31 119.35 1r2r h LEU 108 Ca 0.12 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.63 1r2r h LEU 108 Cb -0.05 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 1r2r h LEU 108 CO -0.03 0.76 0.62 0.40 -0.34 0.00 0.00 178.44 179.85 1r2r h ILE 109 N 0.66 1.23 -0.77 4.05 1.08 -0.81 -0.90 117.51 122.05 1r2r h ILE 109 Ca 0.15 -0.43 -0.04 0.00 -0.39 0.00 0.00 64.86 64.15 1r2r h ILE 109 Cb 0.31 -0.14 -0.04 0.00 -3.07 0.00 0.00 36.82 33.88 1r2r h ILE 109 CO -0.00 0.23 0.34 1.23 -0.69 0.00 0.00 178.15 179.26 1r2r h GLY 110 N 1.26 1.21 1.19 5.37 0.00 -0.81 0.10 103.07 111.39 1r2r h GLY 110 Ca 0.35 -0.62 -0.11 0.00 0.00 0.00 0.00 47.33 46.94 1r2r h GLY 110 CO -0.08 0.59 -0.13 1.46 0.00 0.00 0.00 176.54 178.38 1r2r h GLN 111 N 1.11 0.95 -0.48 4.80 4.20 -0.78 -1.68 115.11 123.23 1r2r h GLN 111 Ca 0.26 -0.35 -0.05 0.00 0.06 0.00 0.00 58.65 58.57 1r2r h GLN 111 Cb 0.16 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1r2r h GLN 111 CO -0.03 1.02 0.09 0.87 -0.67 0.00 0.00 178.83 180.11 1r2r h LYS 112 N 0.84 0.79 0.20 1.46 1.57 -0.62 -1.74 116.57 119.08 1r2r h LYS 112 Ca 0.13 -0.21 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1r2r h LYS 112 Cb 0.68 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1r2r h LYS 112 CO 0.05 0.79 -0.24 0.28 -0.57 0.00 0.00 179.45 179.76 1r2r h VAL 113 N 0.67 0.48 -0.58 0.50 2.07 -0.57 -0.20 116.25 118.62 1r2r h VAL 113 Ca 0.15 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.75 1r2r h VAL 113 Cb 0.37 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.55 1r2r h VAL 113 CO 0.01 0.00 0.22 0.00 0.02 0.00 0.00 177.57 177.82 1r2r h ALA 114 N 0.21 0.75 -0.31 1.67 0.00 -1.25 -1.60 119.26 118.73 1r2r h ALA 114 Ca 0.01 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1r2r h ALA 114 Cb 0.47 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1r2r h ALA 114 CO -0.08 -0.18 -0.18 1.25 0.00 0.00 0.00 179.25 180.05 1r2r h HIS 115 N 0.41 0.78 -0.47 0.00 6.17 -1.10 -1.52 115.15 119.42 1r2r h HIS 115 Ca 0.29 -0.20 0.03 0.00 0.71 0.00 0.00 60.37 61.19 1r2r h HIS 115 Cb 0.34 -0.18 -0.04 0.00 2.52 0.00 0.00 27.41 30.05 1r2r h HIS 115 CO -0.16 0.91 0.26 0.00 0.71 0.00 0.00 177.93 179.65 1r2r h ALA 116 N 0.75 0.59 -0.38 5.26 0.00 -0.86 -1.84 119.26 122.78 1r2r h ALA 116 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1r2r h ALA 116 Cb 0.72 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1r2r h ALA 116 CO 0.05 -0.07 -0.14 -0.07 0.00 0.00 0.00 179.25 179.02 1r2r h LEU 117 N 0.51 0.66 -1.90 0.00 3.38 -1.20 -2.27 115.31 114.50 1r2r h LEU 117 Ca 0.19 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1r2r h LEU 117 Cb 0.06 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1r2r h LEU 117 CO -0.11 0.82 -0.12 0.77 0.09 0.00 0.00 178.44 179.89 1r2r h SER 118 N 0.61 0.00 -0.33 -0.43 4.64 -0.73 -2.23 113.55 115.08 1r2r h SER 118 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1r2r h SER 118 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1r2r h SER 118 CO 0.04 0.12 0.00 -0.62 -0.87 0.00 0.00 176.83 175.50 1r2r n GLU 119 N -3.72 2.16 -0.59 4.77 -0.58 -0.74 -4.94 120.64 116.99 1r2r n GLU 119 Ca -0.02 -1.75 0.00 0.00 -0.42 0.00 0.00 57.16 54.97 1r2r n GLU 119 Cb 0.23 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 1r2r n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1r2r n GLY 120 N 1.33 0.69 3.86 0.62 0.00 -0.84 -4.89 105.19 105.96 1r2r n GLY 120 Ca 0.18 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1r2r n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r2r s LEU 121 N 0.00 3.96 0.55 0.99 1.43 -0.92 -5.00 118.68 119.70 1r2r s LEU 121 Ca 0.00 1.17 -0.15 0.00 -1.03 0.00 0.00 54.13 54.11 1r2r s LEU 121 Cb 0.00 -4.00 -0.06 0.00 0.03 0.00 0.00 46.19 42.16 1r2r s LEU 121 CO 0.00 -0.28 1.01 -0.83 0.23 0.00 0.00 176.35 176.48 1r2r s GLY 122 N -2.71 1.99 -0.09 -3.19 0.00 -0.07 -4.31 107.32 98.94 1r2r s GLY 122 Ca 0.52 0.17 0.03 0.00 0.00 0.00 0.00 44.72 45.44 1r2r s GLY 122 CO 0.24 0.46 -0.17 0.14 0.00 0.00 0.00 173.10 173.77 1r2r s VAL 123 N -2.70 1.55 -0.52 1.40 1.01 -0.05 -1.16 120.40 119.93 1r2r s VAL 123 Ca 0.59 -0.70 -0.16 0.00 0.00 0.00 0.00 61.98 61.71 1r2r s VAL 123 Cb -0.11 -1.38 0.10 0.00 0.00 0.00 0.00 36.38 34.99 1r2r s VAL 123 CO 0.37 0.45 0.49 -0.63 0.00 0.00 0.00 175.10 175.77 1r2r s ILE 124 N 0.68 5.17 -0.27 2.22 1.01 -0.29 -0.95 121.20 128.75 1r2r s ILE 124 Ca -0.13 -1.24 -0.14 0.00 0.00 0.00 0.00 60.65 59.14 1r2r s ILE 124 Cb -0.16 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.00 1r2r s ILE 124 CO 0.03 -0.78 0.34 0.00 0.00 0.00 0.00 174.94 174.53 1r2r s ALA 125 N 1.77 3.56 -0.11 9.38 0.00 0.40 -0.93 121.76 135.83 1r2r s ALA 125 Ca 0.05 -0.87 -0.06 0.00 0.00 0.00 0.00 51.96 51.09 1r2r s ALA 125 Cb -0.27 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 1r2r s ALA 125 CO 0.05 -0.63 0.11 0.00 0.00 0.00 0.00 175.76 175.29 1r2r s ILE 127 N -0.98 0.35 0.00 0.00 -4.36 -0.21 -4.60 121.20 111.39 1r2r s ILE 127 Ca 0.15 -1.92 0.00 0.00 -0.26 0.00 0.00 60.65 58.61 1r2r s ILE 127 Cb -0.12 -1.98 0.00 0.00 1.25 0.00 0.00 42.46 41.61 1r2r s ILE 127 CO 0.04 -0.56 0.00 0.61 0.24 0.00 0.00 174.94 175.27 1r2r n GLY 128 N -0.12 3.32 3.69 6.27 0.00 -1.26 -0.30 105.19 116.79 1r2r n GLY 128 Ca -0.07 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 1r2r n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1r2r s GLU 129 N -2.00 2.67 0.77 1.61 1.03 -1.25 -4.87 118.70 116.65 1r2r s GLU 129 Ca 0.00 -0.73 -0.11 0.00 0.03 0.00 0.00 54.97 54.16 1r2r s GLU 129 Cb 0.00 -2.60 0.07 0.00 -0.80 0.00 0.00 34.13 30.79 1r2r s GLU 129 CO 0.00 0.58 1.13 0.15 -1.33 0.00 0.00 175.26 175.79 1r2r s LYS 130 N -1.98 2.15 0.15 -4.83 1.02 -1.26 -1.76 119.74 113.23 1r2r s LYS 130 Ca 0.23 0.08 -0.16 0.00 0.02 0.00 0.00 55.97 56.15 1r2r s LYS 130 Cb -0.12 -2.01 0.01 0.00 -0.52 0.00 0.00 37.83 35.20 1r2r s LYS 130 CO 0.15 -1.43 1.76 1.25 -0.92 0.00 0.00 175.35 176.16 1r2r h LEU 131 N -0.89 0.52 -1.66 3.17 5.85 -1.83 -0.69 115.31 119.78 1r2r h LEU 131 Ca -0.46 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.17 1r2r h LEU 131 Cb 1.32 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1r2r h LEU 131 CO 0.64 0.45 -0.01 -2.24 -0.34 0.00 0.00 178.44 176.94 1r2r h ASP 132 N 0.55 0.17 -0.18 1.25 2.03 -1.96 0.74 116.42 119.03 1r2r h ASP 132 Ca 0.15 -0.02 -0.14 0.00 -0.73 0.00 0.00 57.03 56.30 1r2r h ASP 132 Cb 0.04 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 38.49 1r2r h ASP 132 CO -0.03 0.23 -0.42 -0.33 -1.03 0.00 0.00 179.24 177.66 1r2r h GLU 133 N 0.19 0.60 -0.52 4.15 5.08 -1.77 -2.02 114.58 120.28 1r2r h GLU 133 Ca 0.05 -0.41 0.02 0.00 -1.00 0.00 0.00 59.36 58.02 1r2r h GLU 133 Cb 0.16 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1r2r h GLU 133 CO 0.00 1.02 0.32 -0.09 -1.00 0.00 0.00 179.01 179.27 1r2r h ARG 134 N 0.26 0.62 0.00 2.33 2.43 -0.60 -1.77 114.38 117.65 1r2r h ARG 134 Ca -0.00 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 1r2r h ARG 134 Cb 1.03 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 1r2r h ARG 134 CO 0.09 0.41 -0.23 0.93 -1.51 0.00 0.00 179.97 179.66 1r2r h GLU 135 N 0.64 0.00 -0.05 0.20 5.08 -0.85 -2.03 114.58 117.57 1r2r h GLU 135 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1r2r h GLU 135 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1r2r h GLU 135 CO -0.08 0.23 0.00 0.00 -1.00 0.00 0.00 179.01 178.16 1r2r n ALA 136 N -2.19 2.57 -1.02 3.43 0.00 -0.77 -4.91 120.51 117.63 1r2r n ALA 136 Ca 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 53.44 53.22 1r2r n ALA 136 Cb 0.52 -1.21 -0.00 0.00 0.00 0.00 0.00 19.45 18.75 1r2r n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r2r n GLY 137 N 0.87 0.48 1.14 0.00 0.00 -0.76 -4.95 105.19 101.96 1r2r n GLY 137 Ca 0.13 -0.48 -0.03 0.00 0.00 0.00 0.00 46.02 45.64 1r2r n GLY 137 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1r2r n ILE 138 N -2.94 2.53 -0.25 -0.61 -5.35 -0.70 -4.64 119.36 107.41 1r2r n ILE 138 Ca -0.01 -2.62 -0.02 0.00 -0.27 0.00 0.00 62.75 59.82 1r2r n ILE 138 Cb 0.04 -0.32 0.04 0.00 -1.74 0.00 0.00 39.64 37.66 1r2r n ILE 138 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1r2r h THR 139 N 1.08 0.17 0.37 7.28 2.02 -1.82 -1.00 112.91 121.01 1r2r h THR 139 Ca 0.20 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.36 1r2r h THR 139 Cb 1.65 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1r2r h THR 139 CO 0.38 0.00 -0.18 -0.33 0.37 0.00 0.00 175.52 175.76 1r2r h GLU 140 N -0.09 -0.48 -0.66 6.66 5.08 -1.95 -0.78 114.58 122.37 1r2r h GLU 140 Ca 0.29 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.79 1r2r h GLU 140 Cb 0.56 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.84 1r2r h GLU 140 CO -0.75 -0.21 0.24 -0.22 -1.00 0.00 0.00 179.01 177.08 1r2r h LYS 141 N -0.69 0.40 0.29 2.33 3.64 -1.84 0.96 116.57 121.67 1r2r h LYS 141 Ca -0.05 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1r2r h LYS 141 Cb 0.49 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1r2r h LYS 141 CO 0.08 0.27 -0.14 0.28 -2.27 0.00 0.00 179.45 177.67 1r2r h VAL 142 N 0.42 0.74 -0.04 2.00 2.07 -1.01 -0.97 116.25 119.45 1r2r h VAL 142 Ca 0.34 -0.40 -0.13 0.00 0.82 0.00 0.00 66.70 67.33 1r2r h VAL 142 Cb 0.45 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1r2r h VAL 142 CO -0.34 0.08 -0.57 -0.37 0.02 0.00 0.00 177.57 176.39 1r2r h VAL 143 N -0.61 1.39 -0.35 2.57 -1.51 -0.93 -1.56 116.25 115.26 1r2r h VAL 143 Ca -0.04 -1.92 -0.14 0.00 -1.23 0.00 0.00 66.70 63.37 1r2r h VAL 143 Cb 0.44 1.99 -0.01 0.00 -2.13 0.00 0.00 31.29 31.58 1r2r h VAL 143 CO 0.07 0.56 -0.35 -0.26 -1.23 0.00 0.00 177.57 176.36 1r2r h PHE 144 N 0.10 1.02 -0.25 5.19 0.04 -0.82 -0.99 116.94 121.24 1r2r h PHE 144 Ca -0.00 -0.31 -0.14 0.00 2.80 0.00 0.00 57.97 60.32 1r2r h PHE 144 Cb 1.03 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.96 1r2r h PHE 144 CO 0.01 1.11 -0.43 0.93 -0.60 0.00 0.00 178.31 179.32 1r2r h GLU 145 N 0.64 0.62 -0.49 1.51 5.08 -1.02 0.18 114.58 121.10 1r2r h GLU 145 Ca 0.06 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 1r2r h GLU 145 Cb 0.93 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1r2r h GLU 145 CO 0.09 0.93 0.27 1.96 -1.00 0.00 0.00 179.01 181.26 1r2r h GLN 146 N 0.50 0.68 -0.28 2.33 4.20 -1.25 -2.53 115.11 118.76 1r2r h GLN 146 Ca 0.04 -0.08 -0.14 0.00 0.06 0.00 0.00 58.65 58.52 1r2r h GLN 146 Cb 0.96 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1r2r h GLN 146 CO 0.09 0.53 -0.42 1.15 -0.67 0.00 0.00 178.83 179.51 1r2r h THR 147 N 0.65 1.29 -0.72 -0.54 2.02 -0.87 -2.67 112.91 112.07 1r2r h THR 147 Ca 0.17 -1.59 0.03 0.00 0.77 0.00 0.00 66.41 65.79 1r2r h THR 147 Cb 0.05 1.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.94 1r2r h THR 147 CO -0.03 0.51 0.45 0.50 0.37 0.00 0.00 175.52 177.32 1r2r h LYS 148 N 0.55 0.84 -0.52 6.66 3.64 -0.52 0.37 116.57 127.59 1r2r h LYS 148 Ca 0.04 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1r2r h LYS 148 Cb 0.95 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1r2r h LYS 148 CO 0.09 0.56 0.07 0.28 -2.27 0.00 0.00 179.45 178.17 1r2r h VAL 149 N 0.87 1.25 0.35 2.00 2.07 -1.29 0.68 116.25 122.18 1r2r h VAL 149 Ca 0.29 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1r2r h VAL 149 Cb 0.04 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1r2r h VAL 149 CO -0.12 0.35 -0.20 0.40 0.02 0.00 0.00 177.57 178.02 1r2r h ILE 150 N 0.75 0.58 -0.36 4.57 2.04 -1.10 -3.02 117.51 120.97 1r2r h ILE 150 Ca 0.16 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.02 1r2r h ILE 150 Cb 0.43 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1r2r h ILE 150 CO 0.01 0.00 0.24 0.00 0.00 0.00 0.00 178.15 178.41 1r2r h ALA 151 N 0.12 1.74 0.00 1.87 0.00 0.04 0.20 119.26 123.23 1r2r h ALA 151 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1r2r h ALA 151 Cb 0.42 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1r2r h ALA 151 CO 0.05 0.24 0.00 -0.44 0.00 0.00 0.00 179.25 179.10 1r2r h ASP 152 N 0.49 0.00 -0.26 0.00 3.32 -0.75 -2.53 116.42 116.69 1r2r h ASP 152 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1r2r h ASP 152 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1r2r h ASP 152 CO -0.03 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.08 1r2r n ASN 153 N -2.71 3.50 -4.04 6.45 3.02 0.04 -4.94 115.26 116.57 1r2r n ASN 153 Ca 0.00 -2.73 -0.31 0.00 -0.03 0.00 0.00 54.58 51.51 1r2r n ASN 153 Cb 0.20 -0.44 -0.16 0.00 -0.61 0.00 0.00 39.78 38.76 1r2r n ASN 153 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1r2r s VAL 154 N -2.31 1.67 -0.20 2.41 1.01 -0.95 -3.81 120.40 118.22 1r2r s VAL 154 Ca 0.36 -0.70 -0.22 0.00 0.00 0.00 0.00 61.98 61.42 1r2r s VAL 154 Cb 0.27 -1.55 -0.20 0.00 0.00 0.00 0.00 36.38 34.90 1r2r s VAL 154 CO 0.10 0.48 0.27 0.11 0.00 0.00 0.00 175.10 176.05 1r2r h LYS 155 N 8.02 0.01 -4.65 2.72 6.56 -1.92 -3.46 116.57 123.85 1r2r h LYS 155 Ca -0.40 -0.01 -0.69 0.00 -1.06 0.00 0.00 60.65 58.49 1r2r h LYS 155 Cb 1.14 0.01 -0.34 0.00 -0.57 0.00 0.00 32.23 32.47 1r2r h LYS 155 CO 0.55 1.01 -0.64 0.34 -2.06 0.00 0.00 179.45 178.65 1r2r s ASP 156 N -6.81 5.05 0.00 0.86 2.15 -1.26 -4.96 116.67 111.70 1r2r s ASP 156 Ca -0.28 -1.61 0.23 0.00 0.43 0.00 0.00 52.55 51.33 1r2r s ASP 156 Cb 0.05 -1.76 1.22 0.00 -0.30 0.00 0.00 42.92 42.13 1r2r s ASP 156 CO 0.61 -0.38 1.77 0.79 -0.17 0.00 0.00 175.17 177.79 1r2r n TRP 157 N 4.60 0.00 0.27 -5.34 7.02 -1.26 -3.52 117.44 119.21 1r2r n TRP 157 Ca -0.08 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.53 1r2r n TRP 157 Cb 0.43 -0.23 0.79 0.00 -2.42 0.00 0.00 31.31 29.88 1r2r n TRP 157 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1r2r h SER 158 N 0.00 0.00 -0.49 -0.99 4.64 -1.97 -2.23 113.55 112.51 1r2r h SER 158 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r2r h SER 158 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1r2r h SER 158 CO 0.00 0.08 0.00 0.29 -0.87 0.00 0.00 176.83 176.33 1r2r n LYS 159 N -3.76 3.93 -5.19 4.77 5.02 -1.23 -4.95 118.16 116.76 1r2r n LYS 159 Ca -0.02 -2.94 -0.31 0.00 -2.02 0.00 0.00 58.31 53.02 1r2r n LYS 159 Cb 0.18 -1.99 -0.16 0.00 -0.02 0.00 0.00 35.03 33.04 1r2r n LYS 159 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r2r s VAL 160 N -2.43 2.06 -0.04 -0.18 1.01 -0.84 -0.87 120.40 119.10 1r2r s VAL 160 Ca 0.48 -1.18 0.04 0.00 0.00 0.00 0.00 61.98 61.32 1r2r s VAL 160 Cb 0.35 -1.72 -0.00 0.00 0.00 0.00 0.00 36.38 35.01 1r2r s VAL 160 CO 0.16 0.52 -0.16 -0.69 0.00 0.00 0.00 175.10 174.93 1r2r s VAL 161 N -0.66 1.32 -0.12 2.92 1.01 -0.13 -4.58 120.40 120.16 1r2r s VAL 161 Ca 0.10 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 1r2r s VAL 161 Cb -0.10 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.09 1r2r s VAL 161 CO -0.00 0.39 0.25 -0.76 0.00 0.00 0.00 175.10 174.97 1r2r s LEU 162 N 0.14 4.33 -0.17 3.92 2.01 -0.67 -0.45 118.68 127.79 1r2r s LEU 162 Ca -0.05 0.55 0.01 0.00 0.01 0.00 0.00 54.13 54.64 1r2r s LEU 162 Cb -0.12 -2.29 0.02 0.00 0.01 0.00 0.00 46.19 43.81 1r2r s LEU 162 CO 0.02 0.24 -0.18 0.00 1.01 0.00 0.00 176.35 177.45 1r2r s ALA 163 N -0.28 2.14 -0.24 4.21 0.00 -0.02 -0.49 121.76 127.08 1r2r s ALA 163 Ca 0.16 -1.09 -0.20 0.00 0.00 0.00 0.00 51.96 50.84 1r2r s ALA 163 Cb -0.13 -1.13 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 1r2r s ALA 163 CO 0.05 -0.36 0.59 -0.47 0.00 0.00 0.00 175.76 175.57 1r2r s TYR 164 N 1.37 3.30 -0.27 0.00 5.04 -0.33 -1.05 117.35 125.41 1r2r s TYR 164 Ca 0.05 0.78 -0.05 0.00 -2.44 0.00 0.00 57.07 55.41 1r2r s TYR 164 Cb -0.13 -2.78 0.01 0.00 0.35 0.00 0.00 41.96 39.41 1r2r s TYR 164 CO -0.12 -0.26 0.02 -1.21 -1.34 0.00 0.00 175.55 172.64 1r2r s GLU 165 N 2.25 3.08 -1.35 4.97 2.02 0.59 0.19 118.70 130.45 1r2r s GLU 165 Ca 0.25 -0.84 -0.17 0.00 0.02 0.00 0.00 54.97 54.23 1r2r s GLU 165 Cb -0.16 -3.21 0.06 0.00 0.10 0.00 0.00 34.13 30.93 1r2r s GLU 165 CO 0.09 -0.38 1.89 -0.35 0.02 0.00 0.00 175.26 176.53 1r2r n PRO 166 N 4.80 3.09 0.14 0.39 -0.04 -1.26 -3.90 135.00 138.23 1r2r n PRO 166 Ca -0.16 -3.07 0.04 0.00 -0.04 0.00 0.00 63.50 60.27 1r2r n PRO 166 Cb 0.48 -3.42 0.46 0.00 -0.04 0.00 0.00 33.50 30.98 1r2r n PRO 166 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1r2r h VAL 167 N 5.03 1.13 -0.00 0.52 2.07 -1.88 -0.51 116.25 122.61 1r2r h VAL 167 Ca 0.49 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1r2r h VAL 167 Cb 0.79 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1r2r h VAL 167 CO 1.60 0.17 0.21 4.11 0.02 0.00 0.00 177.57 183.67 1r2r h TRP 168 N 0.20 0.00 -0.72 1.57 5.08 -1.59 0.19 115.95 120.69 1r2r h TRP 168 Ca 0.05 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.02 1r2r h TRP 168 Cb 0.22 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.38 1r2r h TRP 168 CO 0.00 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.16 1r2r n ALA 169 N -1.96 2.38 -2.76 0.11 0.00 -0.20 -4.57 120.51 113.51 1r2r n ALA 169 Ca -0.02 -1.27 -0.43 0.00 0.00 0.00 0.00 53.44 51.72 1r2r n ALA 169 Cb 0.26 -0.94 -0.09 0.00 0.00 0.00 0.00 19.45 18.69 1r2r n ALA 169 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1r2r s ILE 170 N -1.05 5.13 -1.62 0.00 1.01 0.05 -4.47 121.20 120.26 1r2r s ILE 170 Ca 0.48 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 1r2r s ILE 170 Cb 0.25 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.74 1r2r s ILE 170 CO 0.33 -0.46 0.10 0.61 0.00 0.00 0.00 174.94 175.52 1r2r n GLY 171 N 5.16 -0.43 0.02 6.18 0.00 -1.26 -4.86 105.19 109.99 1r2r n GLY 171 Ca -0.12 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 45.89 1r2r n GLY 171 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r2r n THR 172 N -4.10 0.00 -0.97 2.61 -2.24 -1.26 -4.99 114.28 103.34 1r2r n THR 172 Ca -0.21 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1r2r n THR 172 Cb 0.66 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 1r2r n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r2r n GLY 173 N 1.14 0.68 3.92 3.38 0.00 -1.26 -5.06 105.19 107.99 1r2r n GLY 173 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 1r2r n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r2r s LYS 174 N -0.03 3.54 -0.07 1.61 3.01 -1.26 -5.12 119.74 121.42 1r2r s LYS 174 Ca 0.00 -0.27 -0.00 0.00 -1.01 0.00 0.00 55.97 54.69 1r2r s LYS 174 Cb 0.00 -2.80 0.03 0.00 -1.01 0.00 0.00 37.83 34.05 1r2r s LYS 174 CO 0.00 0.36 -0.03 0.99 0.51 0.00 0.00 175.35 177.18 1r2r s THR 175 N -1.92 0.59 -0.14 2.17 2.01 -1.26 -4.65 115.64 112.43 1r2r s THR 175 Ca 0.40 -0.05 -0.25 0.00 0.31 0.00 0.00 61.69 62.10 1r2r s THR 175 Cb -0.11 -0.67 -0.02 0.00 0.01 0.00 0.00 72.50 71.71 1r2r s THR 175 CO 0.29 0.28 0.80 0.00 -0.69 0.00 0.00 174.62 175.30 1r2r s ALA 176 N 1.60 3.46 0.52 7.40 0.00 -1.26 -5.06 121.76 128.42 1r2r s ALA 176 Ca 0.00 0.06 -0.06 0.00 0.00 0.00 0.00 51.96 51.96 1r2r s ALA 176 Cb -0.13 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1r2r s ALA 176 CO -0.04 -0.52 0.84 0.95 0.00 0.00 0.00 175.76 177.00 1r2r s THR 177 N 1.81 4.66 0.39 0.00 -4.23 -1.26 -4.93 115.64 112.07 1r2r s THR 177 Ca 0.38 0.27 0.09 0.00 -1.18 0.00 0.00 61.69 61.25 1r2r s THR 177 Cb -0.17 -3.79 0.31 0.00 1.34 0.00 0.00 72.50 70.19 1r2r s THR 177 CO 0.14 -0.83 1.95 -0.65 -0.54 0.00 0.00 174.62 174.69 1r2r h PRO 178 N 0.07 0.60 -0.67 3.99 0.11 -1.97 -1.39 132.00 132.74 1r2r h PRO 178 Ca -0.46 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1r2r h PRO 178 Cb 1.21 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1r2r h PRO 178 CO 0.62 0.40 0.41 0.37 -0.21 0.00 0.00 178.00 179.58 1r2r h GLN 179 N 0.62 0.91 -0.25 1.05 -0.00 -1.97 -0.86 115.11 114.61 1r2r h GLN 179 Ca 0.33 -0.08 -0.10 0.00 -0.00 0.00 0.00 58.65 58.80 1r2r h GLN 179 Cb 0.45 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 27.73 1r2r h GLN 179 CO -0.11 0.64 -0.26 1.96 0.00 0.00 0.00 178.83 181.07 1r2r h GLN 180 N 0.91 0.49 0.24 1.69 4.20 -1.66 -0.65 115.11 120.33 1r2r h GLN 180 Ca 0.24 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1r2r h GLN 180 Cb -0.03 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1r2r h GLN 180 CO -0.05 0.71 -0.11 0.00 -0.67 0.00 0.00 178.83 178.71 1r2r h ALA 181 N 1.30 -0.32 -0.92 3.87 0.00 -1.07 -2.88 119.26 119.24 1r2r h ALA 181 Ca 0.06 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.92 1r2r h ALA 181 Cb 0.68 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.52 1r2r h ALA 181 CO 0.05 -0.56 0.56 0.37 0.00 0.00 0.00 179.25 179.67 1r2r h GLN 182 N -0.55 0.91 -0.41 0.00 5.75 -1.04 -0.99 115.11 118.77 1r2r h GLN 182 Ca -0.03 -0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.46 1r2r h GLN 182 Cb 0.41 -0.20 -0.05 0.00 1.07 0.00 0.00 27.48 28.71 1r2r h GLN 182 CO 0.05 0.60 0.14 1.49 -2.65 0.00 0.00 178.83 178.46 1r2r h GLU 183 N 0.93 0.29 -0.15 1.69 4.81 -1.03 0.39 114.58 121.51 1r2r h GLU 183 Ca 0.44 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.52 1r2r h GLU 183 Cb 0.37 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1r2r h GLU 183 CO -0.24 0.19 -0.39 0.28 -0.73 0.00 0.00 179.01 178.12 1r2r h VAL 184 N 0.30 1.35 -0.94 0.32 2.07 -1.20 -2.87 116.25 115.28 1r2r h VAL 184 Ca 0.19 -1.67 0.03 0.00 0.82 0.00 0.00 66.70 66.08 1r2r h VAL 184 Cb 0.18 2.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 1r2r h VAL 184 CO -0.20 0.50 0.61 0.45 0.02 0.00 0.00 177.57 178.96 1r2r h HIS 185 N 0.17 1.15 -0.57 1.57 3.86 -0.85 -0.74 115.15 119.73 1r2r h HIS 185 Ca -0.01 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.14 1r2r h HIS 185 Cb 1.01 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 29.07 1r2r h HIS 185 CO 0.10 0.67 -0.00 1.49 0.86 0.00 0.00 177.93 181.05 1r2r h GLU 186 N 1.19 0.99 -0.52 2.45 4.22 -0.97 -1.47 114.58 120.48 1r2r h GLU 186 Ca 0.37 -0.30 -0.12 0.00 0.08 0.00 0.00 59.36 59.39 1r2r h GLU 186 Cb -0.01 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1r2r h GLU 186 CO -0.12 0.98 -0.14 0.87 -2.18 0.00 0.00 179.01 178.42 1r2r h LYS 187 N 0.91 0.99 -0.64 1.92 1.57 -1.16 -1.89 116.57 118.28 1r2r h LYS 187 Ca 0.17 -0.38 -0.06 0.00 -1.87 0.00 0.00 60.65 58.50 1r2r h LYS 187 Cb 0.53 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1r2r h LYS 187 CO 0.03 1.06 0.15 -0.07 -0.57 0.00 0.00 179.45 180.05 1r2r h LEU 188 N 0.88 0.95 -0.50 2.94 3.38 -0.85 0.08 115.31 122.19 1r2r h LEU 188 Ca 0.13 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 1r2r h LEU 188 Cb 0.70 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1r2r h LEU 188 CO 0.05 0.92 -0.15 -0.09 0.09 0.00 0.00 178.44 179.27 1r2r h ARG 189 N 0.96 0.98 -0.56 1.13 2.43 -1.16 -1.52 114.38 116.64 1r2r h ARG 189 Ca 0.20 -0.39 0.02 0.00 -0.81 0.00 0.00 59.98 59.00 1r2r h ARG 189 Cb 0.34 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 1r2r h ARG 189 CO 0.00 1.06 0.37 0.78 -1.51 0.00 0.00 179.97 180.68 1r2r h GLY 190 N 0.85 0.77 0.82 2.80 0.00 -1.02 -0.54 103.07 106.74 1r2r h GLY 190 Ca 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1r2r h GLY 190 CO 0.05 0.26 0.03 -0.25 0.00 0.00 0.00 176.54 176.63 1r2r h TRP 191 N 0.71 0.19 -0.98 5.60 7.01 -0.49 -1.90 115.95 126.09 1r2r h TRP 191 Ca 0.21 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.23 1r2r h TRP 191 Cb -0.01 -0.05 -0.06 0.00 -2.10 0.00 0.00 29.16 26.94 1r2r h TRP 191 CO -0.00 0.35 0.64 -0.07 -2.79 0.00 0.00 178.44 176.57 1r2r h LEU 192 N -0.02 1.06 -0.56 0.65 3.38 -0.77 -0.49 115.31 118.56 1r2r h LEU 192 Ca 0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1r2r h LEU 192 Cb 0.25 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1r2r h LEU 192 CO 0.00 0.72 0.29 0.50 0.09 0.00 0.00 178.44 180.04 1r2r h LYS 193 N 1.23 0.79 0.00 1.13 3.64 -0.86 -0.47 116.57 122.03 1r2r h LYS 193 Ca 0.40 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1r2r h LYS 193 Cb 0.03 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1r2r h LYS 193 CO -0.13 0.62 -0.53 0.77 -2.27 0.00 0.00 179.45 177.90 1r2r h SER 194 N 0.75 0.00 0.00 4.20 0.02 -1.03 -3.31 113.55 114.19 1r2r h SER 194 Ca 0.20 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1r2r h SER 194 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1r2r h SER 194 CO -0.03 0.01 -0.82 0.59 -1.14 0.00 0.00 176.83 175.43 1r2r n ASN 195 N -2.82 2.92 0.00 3.07 3.02 -0.22 -4.91 115.26 116.32 1r2r n ASN 195 Ca 0.02 -0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 1r2r n ASN 195 Cb 0.53 1.10 0.00 0.00 -0.61 0.00 0.00 39.78 40.80 1r2r n ASN 195 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1r2r n VAL 196 N -1.44 0.00 -3.60 2.41 0.31 -0.31 -5.04 118.33 110.67 1r2r n VAL 196 Ca -0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 1r2r n VAL 196 Cb 0.07 -0.73 -0.03 0.00 -0.91 0.00 0.00 33.84 32.24 1r2r n VAL 196 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1r2r s SER 197 N -2.32 -0.14 0.31 4.52 1.04 -0.49 -5.00 113.70 111.62 1r2r s SER 197 Ca 0.00 0.04 -0.01 0.00 0.48 0.00 0.00 55.95 56.46 1r2r s SER 197 Cb 0.00 0.14 0.48 0.00 0.10 0.00 0.00 66.02 66.75 1r2r s SER 197 CO 0.00 -0.22 1.94 -0.78 0.98 0.00 0.00 173.24 175.17 1r2r h ASP 198 N 2.05 0.84 -0.60 7.02 3.58 -1.80 -1.42 116.42 126.10 1r2r h ASP 198 Ca -0.10 -0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.28 1r2r h ASP 198 Cb 1.17 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.98 1r2r h ASP 198 CO 0.23 0.66 0.31 0.00 -2.88 0.00 0.00 179.24 177.57 1r2r h ALA 199 N 1.48 0.78 -0.48 -0.78 0.00 -1.94 0.17 119.26 118.48 1r2r h ALA 199 Ca 0.25 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1r2r h ALA 199 Cb -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1r2r h ALA 199 CO -0.04 0.32 0.04 0.28 0.00 0.00 0.00 179.25 179.85 1r2r h VAL 200 N 0.82 1.25 -0.70 0.00 2.07 -1.85 -1.88 116.25 115.97 1r2r h VAL 200 Ca 0.21 -0.98 0.01 0.00 0.82 0.00 0.00 66.70 66.76 1r2r h VAL 200 Cb 0.08 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1r2r h VAL 200 CO -0.03 0.35 0.46 0.00 0.02 0.00 0.00 177.57 178.36 1r2r h ALA 201 N 0.94 0.89 0.00 1.67 0.00 -0.70 -1.43 119.26 120.64 1r2r h ALA 201 Ca 0.14 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1r2r h ALA 201 Cb 0.44 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1r2r h ALA 201 CO 0.02 0.28 -0.47 1.96 0.00 0.00 0.00 179.25 181.04 1r2r h GLN 202 N 0.92 0.00 0.00 0.00 1.08 -0.81 -3.32 115.11 112.98 1r2r h GLN 202 Ca 0.26 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.46 1r2r h GLN 202 Cb -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1r2r h GLN 202 CO -0.07 0.47 -1.47 -1.13 -0.95 0.00 0.00 178.83 175.67 1r2r n SER 203 N -3.50 0.58 -4.67 1.46 3.41 -0.72 -4.69 113.62 105.49 1r2r n SER 203 Ca 0.00 -0.46 -0.41 0.00 -0.26 0.00 0.00 58.87 57.74 1r2r n SER 203 Cb 0.59 1.50 -0.04 0.00 -0.26 0.00 0.00 64.21 65.99 1r2r n SER 203 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1r2r s THR 204 N -3.19 4.91 0.13 6.66 2.01 -0.56 -4.87 115.64 120.73 1r2r s THR 204 Ca -0.00 1.56 -0.31 0.00 0.31 0.00 0.00 61.69 63.24 1r2r s THR 204 Cb 0.14 -4.10 -0.08 0.00 0.01 0.00 0.00 72.50 68.47 1r2r s THR 204 CO 0.85 0.05 1.34 -0.13 -0.69 0.00 0.00 174.62 176.03 1r2r s ARG 205 N 2.07 4.36 -0.29 4.92 3.00 -1.26 -4.97 118.95 126.77 1r2r s ARG 205 Ca 0.37 2.02 0.02 0.00 0.00 0.00 0.00 55.73 58.14 1r2r s ARG 205 Cb -0.16 -3.25 0.07 0.00 0.00 0.00 0.00 34.95 31.61 1r2r s ARG 205 CO 0.12 -0.36 -0.05 0.42 0.00 0.00 0.00 175.30 175.43 1r2r s ILE 206 N 0.83 2.32 0.13 1.52 1.01 -1.26 -1.67 121.20 124.09 1r2r s ILE 206 Ca 0.61 -1.78 0.03 0.00 0.00 0.00 0.00 60.65 59.51 1r2r s ILE 206 Cb -0.36 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 1r2r s ILE 206 CO 0.32 -0.19 0.21 0.27 0.00 0.00 0.00 174.94 175.56 1r2r s ILE 207 N 1.07 5.06 -0.19 2.92 -4.36 0.36 -1.21 121.20 124.85 1r2r s ILE 207 Ca -0.04 -0.72 -0.16 0.00 -0.26 0.00 0.00 60.65 59.47 1r2r s ILE 207 Cb -0.20 -3.55 -0.04 0.00 1.25 0.00 0.00 42.46 39.92 1r2r s ILE 207 CO -0.05 -0.02 0.40 -0.47 0.24 0.00 0.00 174.94 175.04 1r2r s TYR 208 N -1.66 3.39 -0.34 1.37 5.04 0.01 -1.19 117.35 123.98 1r2r s TYR 208 Ca 0.33 0.65 0.15 0.00 -2.44 0.00 0.00 57.07 55.75 1r2r s TYR 208 Cb -0.11 -2.52 0.41 0.00 0.35 0.00 0.00 41.96 40.09 1r2r s TYR 208 CO 0.26 0.02 1.32 0.41 -1.34 0.00 0.00 175.55 176.23 1r2r n GLY 209 N 3.82 3.78 2.05 8.97 0.00 0.13 -1.30 105.19 122.63 1r2r n GLY 209 Ca -0.08 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 44.97 1r2r n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r2r n GLY 210 N -0.38 -0.46 3.70 -0.02 0.00 -1.25 -4.66 105.19 102.11 1r2r n GLY 210 Ca 0.17 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 1r2r n GLY 210 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r2r s SER 211 N -3.39 6.46 -0.03 1.61 0.15 -1.26 -4.79 113.70 112.45 1r2r s SER 211 Ca 0.38 2.72 -0.03 0.00 0.70 0.00 0.00 55.95 59.72 1r2r s SER 211 Cb -0.01 -2.58 0.01 0.00 -1.71 0.00 0.00 66.02 61.73 1r2r s SER 211 CO 0.26 -0.95 0.09 0.54 1.20 0.00 0.00 173.24 174.37 1r2r s VAL 212 N 2.11 0.00 0.28 4.45 0.11 -1.26 -5.05 120.40 121.04 1r2r s VAL 212 Ca 0.77 -0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.82 1r2r s VAL 212 Cb -0.46 -0.14 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 1r2r s VAL 212 CO 0.34 -0.01 0.13 0.42 -3.33 0.00 0.00 175.10 172.65 1r2r s THR 213 N 0.01 0.38 0.38 5.04 -4.23 -1.26 -4.58 115.64 111.39 1r2r s THR 213 Ca -0.00 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.59 1r2r s THR 213 Cb -0.01 -2.56 0.31 0.00 1.34 0.00 0.00 72.50 71.58 1r2r s THR 213 CO 0.00 0.00 1.94 1.23 -0.54 0.00 0.00 174.62 177.25 1r2r h GLY 214 N 2.32 0.92 2.00 3.99 0.00 -1.96 -1.45 103.07 108.89 1r2r h GLY 214 Ca -0.36 -0.27 -0.10 0.00 0.00 0.00 0.00 47.33 46.61 1r2r h GLY 214 CO 0.55 0.16 -0.46 0.00 0.00 0.00 0.00 176.54 176.79 1r2r h ALA 215 N 1.62 1.19 -0.00 3.60 0.00 -1.96 -3.32 119.26 120.39 1r2r h ALA 215 Ca 0.34 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1r2r h ALA 215 Cb 0.45 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1r2r h ALA 215 CO -0.12 0.58 -0.41 0.25 0.00 0.00 0.00 179.25 179.55 1r2r n THR 216 N -3.93 0.00 -0.01 0.00 -2.24 -0.98 -4.71 114.28 102.42 1r2r n THR 216 Ca -0.01 -0.30 -0.04 0.00 -2.27 0.00 0.00 64.05 61.43 1r2r n THR 216 Cb 0.49 1.05 0.18 0.00 -2.10 0.00 0.00 70.33 69.96 1r2r n THR 216 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r2r h LYS 218 N 0.49 0.72 -0.72 0.00 1.57 -1.83 0.05 116.57 116.85 1r2r h LYS 218 Ca 0.07 -0.27 -0.04 0.00 -1.87 0.00 0.00 60.65 58.55 1r2r h LYS 218 Cb 0.66 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 1r2r h LYS 218 CO 0.05 0.86 0.31 1.49 -0.57 0.00 0.00 179.45 181.58 1r2r h GLU 219 N 0.53 1.07 -0.43 3.15 4.81 -1.87 -1.21 114.58 120.63 1r2r h GLU 219 Ca 0.10 -0.18 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 1r2r h GLU 219 Cb 0.58 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1r2r h GLU 219 CO 0.03 0.87 -0.04 -0.07 -0.73 0.00 0.00 179.01 179.07 1r2r h LEU 220 N 1.03 0.78 -1.24 1.64 3.38 -1.31 -2.89 115.31 116.70 1r2r h LEU 220 Ca 0.24 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1r2r h LEU 220 Cb 0.18 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1r2r h LEU 220 CO -0.02 0.93 0.00 0.00 0.09 0.00 0.00 178.44 179.43 1r2r h ALA 221 N 0.88 1.00 0.00 1.53 0.00 -0.69 -2.36 119.26 119.62 1r2r h ALA 221 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1r2r h ALA 221 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1r2r h ALA 221 CO 0.03 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.15 1r2r n SER 222 N -2.79 0.74 -4.73 0.00 3.41 -0.48 -4.82 113.62 104.95 1r2r n SER 222 Ca 0.01 0.61 -0.42 0.00 -0.26 0.00 0.00 58.87 58.81 1r2r n SER 222 Cb 0.27 -0.79 -0.03 0.00 -0.26 0.00 0.00 64.21 63.40 1r2r n SER 222 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1r2r s GLN 223 N -3.18 4.38 0.58 4.33 -1.52 -0.89 -4.91 119.66 118.46 1r2r s GLN 223 Ca 0.08 2.00 0.28 0.00 -1.95 0.00 0.00 55.36 55.78 1r2r s GLN 223 Cb 0.11 -3.24 1.72 0.00 -0.22 0.00 0.00 33.01 31.39 1r2r s GLN 223 CO 0.52 -0.29 2.21 -1.35 -0.25 0.00 0.00 175.29 176.12 1r2r h PRO 224 N 6.01 0.00 -0.33 2.91 0.11 -1.89 -2.53 132.00 136.27 1r2r h PRO 224 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1r2r h PRO 224 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1r2r h PRO 224 CO 0.80 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.34 1r2r n ASP 225 N -3.92 2.87 -4.59 -2.05 8.00 -1.26 -4.90 116.55 110.71 1r2r n ASP 225 Ca -0.02 -1.95 -0.40 0.00 0.71 0.00 0.00 54.79 53.13 1r2r n ASP 225 Cb 0.14 -0.22 -0.09 0.00 -0.02 0.00 0.00 41.12 40.94 1r2r n ASP 225 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1r2r s VAL 226 N -1.00 5.14 -1.57 2.53 1.01 -0.95 -4.68 120.40 120.88 1r2r s VAL 226 Ca 0.23 0.47 0.18 0.00 0.00 0.00 0.00 61.98 62.87 1r2r s VAL 226 Cb 0.12 -3.77 0.52 0.00 0.00 0.00 0.00 36.38 33.25 1r2r s VAL 226 CO 0.16 0.05 1.43 0.47 0.00 0.00 0.00 175.10 177.22 1r2r n ASP 227 N 5.42 3.58 0.00 3.32 8.00 -0.35 -4.79 116.55 131.74 1r2r n ASP 227 Ca -0.08 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.42 1r2r n ASP 227 Cb 0.50 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 1r2r n ASP 227 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r2r n GLY 228 N 1.23 0.72 3.06 0.44 0.00 -1.26 -1.50 105.19 107.88 1r2r n GLY 228 Ca 0.20 -1.67 -0.11 0.00 0.00 0.00 0.00 46.02 44.44 1r2r n GLY 228 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r2r s PHE 229 N -3.40 0.08 -0.42 1.61 0.40 -0.30 -0.81 117.98 115.14 1r2r s PHE 229 Ca 0.00 -0.18 -0.05 0.00 -0.60 0.00 0.00 56.93 56.10 1r2r s PHE 229 Cb 0.00 -0.07 0.10 0.00 0.51 0.00 0.00 43.02 43.56 1r2r s PHE 229 CO 0.00 -0.23 0.23 -1.17 0.70 0.00 0.00 175.22 174.74 1r2r s LEU 230 N -1.23 5.23 0.05 -0.37 2.96 -0.42 -0.31 118.68 124.59 1r2r s LEU 230 Ca -0.13 -1.86 -0.22 0.00 -0.22 0.00 0.00 54.13 51.70 1r2r s LEU 230 Cb -0.07 -1.89 -0.06 0.00 0.50 0.00 0.00 46.19 44.67 1r2r s LEU 230 CO 0.01 -0.55 0.65 -0.69 -1.32 0.00 0.00 176.35 174.44 1r2r s VAL 231 N 1.25 4.75 0.00 1.68 1.01 0.53 -4.38 120.40 125.24 1r2r s VAL 231 Ca 0.06 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.42 1r2r s VAL 231 Cb -0.23 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1r2r s VAL 231 CO -0.02 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1r2r n GLY 232 N 2.14 0.65 0.34 4.51 0.00 -1.26 -0.30 105.19 111.27 1r2r n GLY 232 Ca -0.07 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.04 1r2r n GLY 232 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1r2r h GLY 233 N 0.00 0.65 2.00 -0.02 0.00 -1.92 -0.13 103.07 103.65 1r2r h GLY 233 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1r2r h GLY 233 CO 0.00 0.16 0.00 0.00 0.00 0.00 0.00 176.54 176.70 1r2r h ALA 234 N 1.70 1.00 0.00 3.60 0.00 -1.89 -2.69 119.26 120.98 1r2r h ALA 234 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1r2r h ALA 234 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1r2r h ALA 234 CO -0.07 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.84 1r2r h SER 235 N 0.00 0.00 -0.07 0.00 4.64 -1.26 -2.30 113.55 114.56 1r2r h SER 235 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r2r h SER 235 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1r2r h SER 235 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1r2r n LEU 236 N -2.68 1.76 -4.48 5.97 4.77 -1.01 -4.88 117.00 116.45 1r2r n LEU 236 Ca 0.01 -0.63 -0.24 0.00 -0.03 0.00 0.00 56.01 55.11 1r2r n LEU 236 Cb 0.24 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 1r2r n LEU 236 CO 0.22 0.32 -0.48 -0.54 -1.33 0.00 0.00 177.39 175.58 1r2r s LYS 237 N -1.93 1.70 0.47 3.23 1.02 -0.87 -5.02 119.74 118.35 1r2r s LYS 237 Ca 0.36 -1.73 0.22 0.00 0.02 0.00 0.00 55.97 54.84 1r2r s LYS 237 Cb 0.20 -1.80 1.23 0.00 -0.52 0.00 0.00 37.83 36.94 1r2r s LYS 237 CO 0.31 0.34 1.92 -1.35 -0.92 0.00 0.00 175.35 175.65 1r2r h PRO 238 N 2.33 0.22 0.00 -1.68 0.11 -1.93 -1.73 132.00 129.32 1r2r h PRO 238 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1r2r h PRO 238 Cb 1.25 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1r2r h PRO 238 CO 0.59 0.15 0.00 1.05 -0.21 0.00 0.00 178.00 179.58 1r2r h GLU 239 N 0.23 0.00 -0.93 1.05 4.11 -1.96 -2.27 114.58 114.80 1r2r h GLU 239 Ca 0.37 0.00 0.19 0.00 0.07 0.00 0.00 59.36 59.99 1r2r h GLU 239 Cb 1.12 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.29 1r2r h GLU 239 CO -0.08 0.00 0.60 0.35 0.07 0.00 0.00 179.01 179.95 1r2r h PHE 240 N 0.00 0.74 -0.77 2.06 3.57 -1.33 -0.28 116.94 120.93 1r2r h PHE 240 Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1r2r h PHE 240 Cb 0.19 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 1r2r h PHE 240 CO 0.00 0.20 0.46 0.28 -2.23 0.00 0.00 178.31 177.02 1r2r h VAL 241 N 0.56 1.22 -0.46 1.41 2.07 -1.63 -1.11 116.25 118.31 1r2r h VAL 241 Ca 0.50 -0.49 -0.12 0.00 0.82 0.00 0.00 66.70 67.41 1r2r h VAL 241 Cb 1.02 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1r2r h VAL 241 CO -0.24 0.23 -0.20 0.44 0.02 0.00 0.00 177.57 177.82 1r2r h ASP 242 N 1.06 0.93 -0.74 0.57 3.32 -1.25 -3.06 116.42 117.25 1r2r h ASP 242 Ca 0.28 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 1r2r h ASP 242 Cb -0.03 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 1r2r h ASP 242 CO -0.05 1.10 0.31 0.40 -1.72 0.00 0.00 179.24 179.28 1r2r h ILE 243 N 0.79 1.25 -0.89 0.35 2.04 -0.57 -1.34 117.51 119.15 1r2r h ILE 243 Ca 0.11 -0.75 0.20 0.00 1.00 0.00 0.00 64.86 65.41 1r2r h ILE 243 Cb 0.75 0.37 -0.06 0.00 -0.74 0.00 0.00 36.82 37.14 1r2r h ILE 243 CO 0.06 0.31 0.59 0.40 0.00 0.00 0.00 178.15 179.51 1r2r h ILE 244 N 1.05 0.69 -0.33 -0.67 2.04 -1.17 -1.11 117.51 118.01 1r2r h ILE 244 Ca 0.25 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.97 1r2r h ILE 244 Cb 0.18 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1r2r h ILE 244 CO -0.02 0.07 0.00 0.59 0.00 0.00 0.00 178.15 178.79 1r2r n ASN 245 N -4.50 3.43 0.21 1.72 3.02 -0.51 -4.60 115.26 114.02 1r2r n ASN 245 Ca 0.19 -2.44 0.09 0.00 -0.03 0.00 0.00 54.58 52.39 1r2r n ASN 245 Cb 0.69 -0.56 0.30 0.00 -0.61 0.00 0.00 39.78 39.60 1r2r n ASN 245 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r2r h ALA 246 N 3.21 0.92 0.27 5.41 0.00 -1.09 -2.60 119.26 125.39 1r2r h ALA 246 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1r2r h ALA 246 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1r2r h ALA 246 CO 0.24 0.28 -0.13 -0.22 0.00 0.00 0.00 179.25 179.42 1r2r h LYS 247 N 0.00 -0.35 0.00 0.00 3.64 -1.82 -3.43 116.57 114.60 1r2r h LYS 247 Ca -0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1r2r h LYS 247 Cb 0.95 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1r2r h LYS 247 CO 0.03 -0.02 0.00 0.94 -2.27 0.00 0.00 179.45 178.13