#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r2r n SER 3 N 0.00 -2.96 -4.70 2.55 3.41 -1.26 -4.92 113.62 105.73 1r2r n SER 3 Ca 0.00 0.22 -0.42 0.00 -0.26 0.00 0.00 58.87 58.41 1r2r n SER 3 Cb 0.00 -1.05 -0.03 0.00 -0.26 0.00 0.00 64.21 62.87 1r2r n SER 3 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1r2r s ARG 4 N -3.21 4.50 0.01 4.33 0.52 -1.26 -5.00 118.95 118.83 1r2r s ARG 4 Ca 0.52 1.30 -0.30 0.00 -0.52 0.00 0.00 55.73 56.74 1r2r s ARG 4 Cb -0.18 -3.48 -0.06 0.00 0.52 0.00 0.00 34.95 31.76 1r2r s ARG 4 CO 0.70 -0.10 1.37 0.21 0.02 0.00 0.00 175.30 177.51 1r2r s LYS 5 N 1.23 4.30 0.25 3.54 2.20 -1.26 -4.95 119.74 125.04 1r2r s LYS 5 Ca 0.48 1.94 -0.31 0.00 -0.36 0.00 0.00 55.97 57.72 1r2r s LYS 5 Cb -0.20 -3.53 -0.12 0.00 -1.51 0.00 0.00 37.83 32.47 1r2r s LYS 5 CO 0.24 -0.54 1.61 0.34 -0.36 0.00 0.00 175.35 176.64 1r2r n PHE 6 N 5.15 2.67 -4.06 4.03 7.35 -1.21 -4.83 117.46 126.56 1r2r n PHE 6 Ca 0.13 0.21 -0.28 0.00 -0.76 0.00 0.00 57.45 56.75 1r2r n PHE 6 Cb 0.44 -2.60 -0.17 0.00 0.35 0.00 0.00 39.48 37.50 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 0.45 1.74 -0.21 -5.13 5.36 -0.53 -0.69 117.98 118.97 1r2r s PHE 7 Ca 0.70 -0.88 0.01 0.00 -0.96 0.00 0.00 56.93 55.79 1r2r s PHE 7 Cb -0.54 -1.35 0.05 0.00 -0.34 0.00 0.00 43.02 40.84 1r2r s PHE 7 CO 0.42 -0.53 -0.09 0.08 -1.46 0.00 0.00 175.22 173.64 1r2r s VAL 8 N 1.46 1.62 -0.10 3.12 1.01 -0.21 -1.28 120.40 126.02 1r2r s VAL 8 Ca 0.02 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 1r2r s VAL 8 Cb -0.13 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 1r2r s VAL 8 CO -0.07 0.08 0.03 -0.83 0.00 0.00 0.00 175.10 174.31 1r2r s GLY 9 N 1.39 1.91 -0.28 4.51 0.00 0.18 -1.45 107.32 113.57 1r2r s GLY 9 Ca -0.03 -0.77 -0.02 0.00 0.00 0.00 0.00 44.72 43.90 1r2r s GLY 9 CO -0.07 -0.51 -0.01 -0.32 0.00 0.00 0.00 173.10 172.19 1r2r s GLY 10 N -0.86 1.72 -0.52 0.20 0.00 0.65 -0.65 107.32 107.85 1r2r s GLY 10 Ca 0.13 -1.64 -0.19 0.00 0.00 0.00 0.00 44.72 43.02 1r2r s GLY 10 CO 0.03 0.64 0.64 0.21 0.00 0.00 0.00 173.10 174.62 1r2r s ASN 11 N 1.30 6.22 0.15 1.64 2.47 0.81 -0.16 114.94 127.36 1r2r s ASN 11 Ca -0.03 -0.99 0.23 0.00 0.42 0.00 0.00 52.86 52.48 1r2r s ASN 11 Cb -0.19 -2.29 0.89 0.00 -1.45 0.00 0.00 41.25 38.21 1r2r s ASN 11 CO -0.02 -0.93 1.69 0.79 -3.72 0.00 0.00 177.10 174.91 1r2r n TRP 12 N 6.21 0.52 -2.95 0.43 8.01 -0.66 -4.50 117.44 124.51 1r2r n TRP 12 Ca -0.07 0.18 0.00 0.00 -1.31 0.00 0.00 57.50 56.31 1r2r n TRP 12 Cb 0.45 -0.80 0.00 0.00 -2.01 0.00 0.00 31.31 28.95 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 -1.96 0.00 -2.68 -0.99 5.02 -1.26 -3.28 118.16 113.01 1r2r n LYS 13 Ca 0.04 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.90 1r2r n LYS 13 Cb 0.27 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.29 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 4.14 4.00 -3.88 1.97 0.00 -1.26 -3.85 117.12 118.24 1r2r n MET 14 Ca 0.00 -4.03 -0.11 0.00 -0.00 0.00 0.00 57.70 53.56 1r2r n MET 14 Cb 0.00 -2.73 -0.13 0.00 0.00 0.00 0.00 33.22 30.36 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 -0.26 0.01 0.00 6.12 0.01 -1.21 -5.11 114.94 114.50 1r2r s ASN 15 Ca 0.36 -0.04 0.00 0.00 -0.71 0.00 0.00 52.86 52.47 1r2r s ASN 15 Cb 0.07 0.11 0.00 0.00 0.41 0.00 0.00 41.25 41.84 1r2r s ASN 15 CO 0.05 -0.10 0.00 0.61 -1.51 0.00 0.00 177.10 176.15 1r2r n GLY 16 N 2.65 2.41 3.38 0.66 0.00 -1.26 -4.69 105.19 108.34 1r2r n GLY 16 Ca -0.15 -1.95 -0.21 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.82 1.71 0.34 1.61 1.81 -1.26 -4.97 118.95 115.37 1r2r s ARG 17 Ca 0.00 -2.00 0.03 0.00 -1.72 0.00 0.00 55.73 52.04 1r2r s ARG 17 Cb 0.00 -0.21 0.62 0.00 -0.45 0.00 0.00 34.95 34.91 1r2r s ARG 17 CO 0.00 -0.47 1.96 0.87 -0.68 0.00 0.00 175.30 176.98 1r2r h LYS 18 N 2.09 0.87 0.34 3.54 1.57 -1.99 -0.36 116.57 122.63 1r2r h LYS 18 Ca -0.33 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.38 1r2r h LYS 18 Cb 1.25 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1r2r h LYS 18 CO 0.52 0.58 -0.16 -0.22 -0.57 0.00 0.00 179.45 179.59 1r2r h LYS 19 N 0.90 -0.44 -0.01 3.15 3.64 -1.98 0.28 116.57 122.11 1r2r h LYS 19 Ca 0.31 0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.54 1r2r h LYS 19 Cb 0.09 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1r2r h LYS 19 CO -0.09 -0.12 -0.79 -2.95 -2.27 0.00 0.00 179.45 173.23 1r2r h ASN 20 N -0.86 0.14 -0.05 4.20 7.08 -1.95 -2.18 115.58 121.96 1r2r h ASN 20 Ca -0.05 -0.11 -0.11 0.00 -3.08 0.00 0.00 56.30 52.95 1r2r h ASN 20 Cb 0.53 -0.04 -0.01 0.00 -2.08 0.00 0.00 38.32 36.71 1r2r h ASN 20 CO 0.08 0.88 -0.31 -0.07 -2.08 0.00 0.00 177.43 175.92 1r2r h LEU 21 N 0.07 0.53 -0.74 6.14 3.38 -1.15 -1.54 115.31 122.00 1r2r h LEU 21 Ca -0.02 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.76 1r2r h LEU 21 Cb 1.39 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.95 1r2r h LEU 21 CO 0.11 0.81 0.48 1.23 0.09 0.00 0.00 178.44 181.17 1r2r h GLY 22 N 1.05 1.05 1.02 0.83 0.00 -0.75 -0.45 103.07 105.82 1r2r h GLY 22 Ca 0.05 -0.37 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 1r2r h GLY 22 CO 0.06 0.35 0.07 0.83 0.00 0.00 0.00 176.54 177.85 1r2r h GLU 23 N 0.96 0.94 -0.38 4.80 5.08 -1.19 -0.60 114.58 124.19 1r2r h GLU 23 Ca 0.28 -0.26 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1r2r h GLU 23 Cb -0.06 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 1r2r h GLU 23 CO -0.08 0.91 0.21 1.25 -1.00 0.00 0.00 179.01 180.30 1r2r h LEU 24 N 0.83 0.32 -0.77 1.33 5.85 -0.97 -2.49 115.31 119.41 1r2r h LEU 24 Ca 0.17 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 1r2r h LEU 24 Cb 0.44 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1r2r h LEU 24 CO 0.02 0.23 0.37 0.40 -0.34 0.00 0.00 178.44 179.12 1r2r h ILE 25 N 0.42 1.25 -0.67 4.05 2.04 -0.75 -1.50 117.51 122.35 1r2r h ILE 25 Ca 0.16 -0.69 0.03 0.00 1.00 0.00 0.00 64.86 65.36 1r2r h ILE 25 Cb 0.04 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.35 1r2r h ILE 25 CO -0.09 0.29 0.41 0.74 0.00 0.00 0.00 178.15 179.50 1r2r h THR 26 N 1.09 1.07 -0.60 -0.27 2.02 -0.86 -0.04 112.91 115.31 1r2r h THR 26 Ca 0.26 -0.27 -0.08 0.00 0.77 0.00 0.00 66.41 67.09 1r2r h THR 26 Cb 0.12 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 1r2r h THR 26 CO -0.03 0.15 0.07 0.74 0.37 0.00 0.00 175.52 176.82 1r2r h THR 27 N 0.80 1.26 -0.24 3.16 2.02 -1.01 -2.41 112.91 116.49 1r2r h THR 27 Ca 0.28 -1.02 -0.15 0.00 0.77 0.00 0.00 66.41 66.29 1r2r h THR 27 Cb 0.05 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1r2r h THR 27 CO -0.12 0.38 -0.45 -0.07 0.37 0.00 0.00 175.52 175.63 1r2r h LEU 28 N 0.93 0.66 -1.54 2.58 3.38 -0.83 -2.82 115.31 117.67 1r2r h LEU 28 Ca 0.18 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1r2r h LEU 28 Cb 0.44 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1r2r h LEU 28 CO 0.01 1.01 -0.02 0.78 0.09 0.00 0.00 178.44 180.31 1r2r h ASN 29 N 0.49 0.24 1.76 -0.43 2.35 -0.84 -2.57 115.58 116.58 1r2r h ASN 29 Ca 0.03 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1r2r h ASN 29 Cb 0.98 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 39.28 1r2r h ASN 29 CO 0.09 0.31 -0.14 0.00 -1.65 0.00 0.00 177.43 176.04 1r2r h ALA 30 N 1.73 0.91 -2.74 -0.83 0.00 -1.28 -3.46 119.26 113.59 1r2r h ALA 30 Ca 0.06 -0.13 -0.51 0.00 0.00 0.00 0.00 54.91 54.33 1r2r h ALA 30 Cb 0.22 -0.02 0.05 0.00 0.00 0.00 0.00 17.79 18.03 1r2r h ALA 30 CO 0.01 0.18 0.51 0.00 0.00 0.00 0.00 179.25 179.94 1r2r s ALA 31 N -3.19 3.22 -0.32 0.00 0.00 -0.97 -5.02 121.76 115.48 1r2r s ALA 31 Ca 0.06 0.97 -0.23 0.00 0.00 0.00 0.00 51.96 52.75 1r2r s ALA 31 Cb 0.06 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1r2r s ALA 31 CO 0.68 -0.47 0.78 0.15 0.00 0.00 0.00 175.76 176.91 1r2r s LYS 32 N -2.15 3.92 -0.10 0.00 1.02 -1.26 -5.02 119.74 116.14 1r2r s LYS 32 Ca 0.55 0.52 -0.22 0.00 0.02 0.00 0.00 55.97 56.84 1r2r s LYS 32 Cb -0.31 -3.75 -0.03 0.00 -0.52 0.00 0.00 37.83 33.22 1r2r s LYS 32 CO 0.39 -0.71 0.65 0.14 -0.92 0.00 0.00 175.35 174.90 1r2r s VAL 33 N 2.98 5.06 0.56 3.17 -7.23 -1.26 -5.01 120.40 118.68 1r2r s VAL 33 Ca 0.32 1.32 -0.21 0.00 -1.81 0.00 0.00 61.98 61.60 1r2r s VAL 33 Cb -0.14 -3.99 -0.05 0.00 0.56 0.00 0.00 36.38 32.77 1r2r s VAL 33 CO 0.13 0.23 1.30 -2.65 -0.31 0.00 0.00 175.10 173.80 1r2r n PRO 34 N 4.03 1.51 -0.00 4.82 -0.02 -1.26 -4.88 135.00 139.19 1r2r n PRO 34 Ca -0.02 0.56 -0.09 0.00 -2.02 0.00 0.00 63.50 61.93 1r2r n PRO 34 Cb 0.51 -2.51 -0.04 0.00 -0.02 0.00 0.00 33.50 31.45 1r2r n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r2r h ALA 35 N 1.20 0.02 0.00 3.55 0.00 -2.01 -2.89 119.26 119.14 1r2r h ALA 35 Ca -0.50 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1r2r h ALA 35 Cb 1.32 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1r2r h ALA 35 CO 0.56 -0.53 0.00 -0.40 0.00 0.00 0.00 179.25 178.88 1r2r n ASP 36 N -5.22 0.03 -3.84 0.00 5.75 -1.26 -4.77 116.55 107.25 1r2r n ASP 36 Ca -0.04 -0.09 -0.18 0.00 -0.01 0.00 0.00 54.79 54.47 1r2r n ASP 36 Cb 0.14 -0.02 -0.16 0.00 -1.03 0.00 0.00 41.12 40.05 1r2r n ASP 36 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1r2r s THR 37 N -1.28 0.31 -0.30 2.12 2.01 -1.09 -3.28 115.64 114.12 1r2r s THR 37 Ca 0.00 0.02 -0.09 0.00 0.31 0.00 0.00 61.69 61.93 1r2r s THR 37 Cb 0.00 -0.38 -0.00 0.00 0.01 0.00 0.00 72.50 72.12 1r2r s THR 37 CO 0.00 0.18 0.13 -0.70 -0.69 0.00 0.00 174.62 173.54 1r2r s GLU 38 N 1.04 3.30 -0.11 4.92 2.12 0.13 -4.85 118.70 125.25 1r2r s GLU 38 Ca -0.09 -0.74 -0.01 0.00 0.36 0.00 0.00 54.97 54.49 1r2r s GLU 38 Cb -0.14 -3.51 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 1r2r s GLU 38 CO -0.01 -0.41 -0.06 0.08 -0.54 0.00 0.00 175.26 174.32 1r2r s VAL 39 N 1.59 3.76 -0.02 3.70 1.01 -1.26 -1.05 120.40 128.14 1r2r s VAL 39 Ca 0.04 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1r2r s VAL 39 Cb -0.17 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.64 1r2r s VAL 39 CO 0.05 0.55 -0.02 -0.69 0.00 0.00 0.00 175.10 175.00 1r2r s VAL 40 N -0.29 0.25 -0.06 2.92 1.01 -0.53 -1.38 120.40 122.32 1r2r s VAL 40 Ca 0.04 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.02 1r2r s VAL 40 Cb -0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.96 1r2r s VAL 40 CO 0.02 0.11 -0.18 0.00 0.00 0.00 0.00 175.10 175.06 1r2r s ALA 42 N -0.45 3.25 0.75 0.00 0.00 0.77 -0.62 121.76 125.47 1r2r s ALA 42 Ca 0.05 -2.93 -0.12 0.00 0.00 0.00 0.00 51.96 48.96 1r2r s ALA 42 Cb -0.12 -2.31 0.04 0.00 0.00 0.00 0.00 23.12 20.74 1r2r s ALA 42 CO 0.02 -1.91 1.13 -1.25 0.00 0.00 0.00 175.76 173.74 1r2r s PRO 43 N 0.37 2.45 0.65 0.00 0.04 -1.23 -1.65 135.00 135.63 1r2r s PRO 43 Ca 0.14 0.32 -0.17 0.00 0.04 0.00 0.00 61.00 61.32 1r2r s PRO 43 Cb -0.22 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1r2r s PRO 43 CO -0.04 -1.30 0.83 -2.30 0.04 0.00 0.00 177.00 174.24 1r2r n PRO 44 N -3.15 0.63 0.03 0.56 -0.02 -1.25 -4.39 135.00 127.40 1r2r n PRO 44 Ca 0.07 0.26 0.02 0.00 -2.02 0.00 0.00 63.50 61.83 1r2r n PRO 44 Cb 0.59 -2.06 0.38 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 0.08 1.15 0.00 3.45 2.02 -1.96 0.95 112.91 118.61 1r2r h THR 45 Ca -0.47 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.21 1r2r h THR 45 Cb 1.36 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 1r2r h THR 45 CO 0.48 0.18 0.00 0.00 0.37 0.00 0.00 175.52 176.55 1r2r n ALA 46 N -2.48 1.42 -0.68 6.16 0.00 -1.26 -2.96 120.51 120.71 1r2r n ALA 46 Ca 0.02 0.10 0.07 0.00 0.00 0.00 0.00 53.44 53.63 1r2r n ALA 46 Cb 0.16 -1.32 0.12 0.00 0.00 0.00 0.00 19.45 18.41 1r2r n ALA 46 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1r2r n TYR 47 N -2.12 0.17 -0.08 0.00 4.01 0.32 -4.69 117.16 114.77 1r2r n TYR 47 Ca 0.01 -0.80 -0.10 0.00 -0.16 0.00 0.00 57.90 56.86 1r2r n TYR 47 Cb 0.15 -0.13 -0.03 0.00 -0.31 0.00 0.00 39.34 39.02 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 0.42 1.10 0.13 -0.72 2.04 -1.45 0.47 117.51 119.50 1r2r h ILE 48 Ca 0.00 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1r2r h ILE 48 Cb 0.90 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1r2r h ILE 48 CO 0.03 0.10 -0.06 -0.78 0.00 0.00 0.00 178.15 177.44 1r2r h ASP 49 N 0.33 -0.14 -0.42 1.72 3.58 -1.83 -1.63 116.42 118.02 1r2r h ASP 49 Ca 0.10 -0.23 0.08 0.00 0.42 0.00 0.00 57.03 57.40 1r2r h ASP 49 Cb 0.03 0.04 -0.08 0.00 1.72 0.00 0.00 39.33 41.04 1r2r h ASP 49 CO -0.02 0.16 -0.07 0.15 -2.88 0.00 0.00 179.24 176.57 1r2r h PHE 50 N -0.45 -0.17 -0.57 0.28 3.57 -1.83 -1.25 116.94 116.52 1r2r h PHE 50 Ca -0.02 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.44 1r2r h PHE 50 Cb 0.36 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1r2r h PHE 50 CO 0.02 -0.16 0.05 0.00 -2.23 0.00 0.00 178.31 175.99 1r2r h ALA 51 N 1.41 0.77 -0.74 2.41 0.00 -0.80 -2.06 119.26 120.24 1r2r h ALA 51 Ca 0.20 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1r2r h ALA 51 Cb 0.31 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1r2r h ALA 51 CO -0.41 0.56 0.23 -0.09 0.00 0.00 0.00 179.25 179.54 1r2r h ARG 52 N 0.87 1.15 -0.19 0.00 9.65 -0.86 0.11 114.38 125.11 1r2r h ARG 52 Ca 0.17 -0.25 -0.06 0.00 -1.10 0.00 0.00 59.98 58.74 1r2r h ARG 52 Cb 0.48 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.88 1r2r h ARG 52 CO 0.02 0.98 -0.15 1.96 2.80 0.00 0.00 179.97 185.58 1r2r h GLN 53 N 1.10 0.32 0.00 0.20 4.20 -0.93 -3.26 115.11 116.74 1r2r h GLN 53 Ca 0.24 -0.08 -0.20 0.00 0.06 0.00 0.00 58.65 58.66 1r2r h GLN 53 Cb 0.30 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 1r2r h GLN 53 CO -0.01 0.47 -1.82 1.63 -0.67 0.00 0.00 178.83 178.43 1r2r n LYS 54 N -4.23 0.65 -2.62 1.46 4.76 -0.80 -4.92 118.16 112.45 1r2r n LYS 54 Ca -0.00 0.09 -0.39 0.00 -2.87 0.00 0.00 58.31 55.13 1r2r n LYS 54 Cb 0.30 -1.67 -0.05 0.00 -1.84 0.00 0.00 35.03 31.76 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 -5.49 4.51 0.44 -0.35 1.43 0.33 -4.91 118.68 114.64 1r2r s LEU 55 Ca -0.06 2.07 -0.25 0.00 -1.03 0.00 0.00 54.13 54.86 1r2r s LEU 55 Cb 0.09 -3.74 -0.09 0.00 0.03 0.00 0.00 46.19 42.48 1r2r s LEU 55 CO 0.83 -0.07 1.27 -0.67 0.23 0.00 0.00 176.35 177.95 1r2r n ASP 56 N 1.06 2.52 0.33 2.29 -0.08 -1.26 -4.88 116.55 116.53 1r2r n ASP 56 Ca -0.00 1.09 0.18 0.00 -1.51 0.00 0.00 54.79 54.54 1r2r n ASP 56 Cb 0.47 -1.51 0.95 0.00 2.34 0.00 0.00 41.12 43.37 1r2r n ASP 56 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1r2r h PRO 57 N 1.99 0.00 0.00 -0.67 0.11 -1.95 -1.96 132.00 129.52 1r2r h PRO 57 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1r2r h PRO 57 Cb 1.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 1r2r h PRO 57 CO 0.59 0.00 -0.03 1.57 -0.21 0.00 0.00 178.00 179.92 1r2r h LYS 58 N 0.00 0.00 -5.54 1.05 2.10 -1.98 -3.41 116.57 108.80 1r2r h LYS 58 Ca 0.01 0.00 -0.65 0.00 -2.00 0.00 0.00 60.65 58.01 1r2r h LYS 58 Cb 0.46 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 31.62 1r2r h LYS 58 CO -0.00 0.03 -0.61 0.42 -2.00 0.00 0.00 179.45 177.29 1r2r s ILE 59 N -3.90 4.41 0.36 0.07 1.01 -0.74 -4.63 121.20 117.78 1r2r s ILE 59 Ca -0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 60.65 60.41 1r2r s ILE 59 Cb 0.11 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 1r2r s ILE 59 CO 0.52 0.53 0.63 0.00 0.00 0.00 0.00 174.94 176.61 1r2r s ALA 60 N -0.12 3.57 -0.05 9.38 0.00 -0.48 -4.80 121.76 129.26 1r2r s ALA 60 Ca 0.05 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.41 1r2r s ALA 60 Cb -0.12 -2.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.62 1r2r s ALA 60 CO 0.02 0.01 -0.08 0.08 0.00 0.00 0.00 175.76 175.79 1r2r s VAL 61 N -2.33 3.62 0.06 0.00 1.01 -1.26 -1.06 120.40 120.44 1r2r s VAL 61 Ca 0.44 -0.57 0.09 0.00 0.00 0.00 0.00 61.98 61.94 1r2r s VAL 61 Cb -0.10 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 1r2r s VAL 61 CO 0.35 0.56 -0.24 0.00 0.00 0.00 0.00 175.10 175.77 1r2r s ALA 62 N -0.84 2.37 0.50 5.51 0.00 0.21 -1.54 121.76 127.97 1r2r s ALA 62 Ca 0.13 -1.28 -0.17 0.00 0.00 0.00 0.00 51.96 50.65 1r2r s ALA 62 Cb -0.11 -0.54 -0.08 0.00 0.00 0.00 0.00 23.12 22.39 1r2r s ALA 62 CO 0.03 0.55 0.97 0.00 0.00 0.00 0.00 175.76 177.30 1r2r s ALA 63 N -0.88 3.08 -1.01 0.00 0.00 -0.33 -3.58 121.76 119.04 1r2r s ALA 63 Ca 0.13 0.18 0.28 0.00 0.00 0.00 0.00 51.96 52.55 1r2r s ALA 63 Cb -0.10 -3.10 0.97 0.00 0.00 0.00 0.00 23.12 20.89 1r2r s ALA 63 CO 0.04 -0.18 1.74 1.04 0.00 0.00 0.00 175.76 178.39 1r2r n GLN 64 N -1.46 0.01 -3.62 0.00 6.02 -1.26 -0.98 117.38 116.08 1r2r n GLN 64 Ca 0.06 -0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.03 1r2r n GLN 64 Cb 0.54 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.28 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 -2.99 -0.04 0.33 1.08 2.47 -1.21 -4.52 114.94 110.06 1r2r s ASN 65 Ca 0.13 -0.01 -0.13 0.00 0.42 0.00 0.00 52.86 53.28 1r2r s ASN 65 Cb 0.18 0.05 0.02 0.00 -1.45 0.00 0.00 41.25 40.05 1r2r s ASN 65 CO 0.59 -0.08 0.63 0.00 -3.72 0.00 0.00 177.10 174.53 1r2r n TYR 67 N -0.50 -2.00 0.02 0.00 9.36 0.24 -4.94 117.16 119.34 1r2r n TYR 67 Ca -0.04 -0.78 0.06 0.00 3.32 0.00 0.00 57.90 60.46 1r2r n TYR 67 Cb 0.61 -0.18 0.14 0.00 -0.63 0.00 0.00 39.34 39.27 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 2.22 -4.28 2.98 2.85 -1.26 -4.55 118.16 114.90 1r2r n LYS 68 Ca 0.03 -1.86 -0.15 0.00 -1.05 0.00 0.00 58.31 55.28 1r2r n LYS 68 Cb 0.22 -1.28 -0.10 0.00 -0.65 0.00 0.00 35.03 33.21 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 -1.01 0.72 -0.12 0.58 -7.23 -1.26 -4.77 120.40 107.30 1r2r s VAL 69 Ca 0.23 -2.00 0.15 0.00 -1.81 0.00 0.00 61.98 58.55 1r2r s VAL 69 Cb 0.13 -2.32 -0.02 0.00 0.56 0.00 0.00 36.38 34.73 1r2r s VAL 69 CO 0.17 -0.31 1.26 0.00 -0.31 0.00 0.00 175.10 175.91 1r2r h THR 70 N 2.56 0.85 -2.59 5.32 1.03 -1.98 -3.43 112.91 114.66 1r2r h THR 70 Ca -0.37 -2.28 -0.06 0.00 -0.01 0.00 0.00 66.41 63.69 1r2r h THR 70 Cb 1.22 2.36 -0.17 0.00 -1.07 0.00 0.00 68.15 70.49 1r2r h THR 70 CO 0.62 0.48 0.07 0.20 -0.01 0.00 0.00 175.52 176.89 1r2r s ASN 71 N -6.30 -0.49 0.00 0.00 0.01 -1.26 -4.70 114.94 102.20 1r2r s ASN 71 Ca 0.02 0.31 0.00 0.00 -0.71 0.00 0.00 52.86 52.47 1r2r s ASN 71 Cb 0.08 0.50 0.00 0.00 0.41 0.00 0.00 41.25 42.24 1r2r s ASN 71 CO 0.77 -0.69 0.00 0.61 -1.51 0.00 0.00 177.10 176.28 1r2r n GLY 72 N 0.54 -2.14 2.71 0.66 0.00 -1.26 -5.02 105.19 100.69 1r2r n GLY 72 Ca -0.19 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 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 5.84 -3.34 4.61 0.00 -1.26 -4.71 120.51 121.66 1r2r n ALA 73 Ca 0.00 -4.08 -0.26 0.00 0.00 0.00 0.00 53.44 49.11 1r2r n ALA 73 Cb 0.00 -3.16 -0.08 0.00 0.00 0.00 0.00 19.45 16.21 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 4.22 0.56 -1.63 0.00 3.72 -1.26 -5.10 117.46 117.97 1r2r n PHE 74 Ca 0.50 -3.68 -0.52 0.00 -0.05 0.00 0.00 57.45 53.71 1r2r n PHE 74 Cb 0.34 -0.27 -0.06 0.00 -0.94 0.00 0.00 39.48 38.55 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 1.67 0.08 -0.15 4.37 -1.04 -1.26 -1.56 114.28 116.39 1r2r n THR 75 Ca 0.25 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 1r2r n THR 75 Cb 0.48 -1.06 0.00 0.00 -1.82 0.00 0.00 70.33 67.93 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 3.05 1.08 3.95 3.41 0.00 -1.26 -5.06 105.19 110.36 1r2r n GLY 76 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.57 3.07 0.13 1.61 0.41 -0.60 -5.14 118.70 117.60 1r2r s GLU 77 Ca 0.00 -1.05 0.04 0.00 -0.41 0.00 0.00 54.97 53.56 1r2r s GLU 77 Cb 0.00 -2.75 -0.04 0.00 -1.78 0.00 0.00 34.13 29.56 1r2r s GLU 77 CO 0.00 0.12 -0.10 0.96 -0.49 0.00 0.00 175.26 175.75 1r2r s ILE 78 N -2.18 1.09 0.25 -1.63 -4.36 -1.26 -5.01 121.20 108.10 1r2r s ILE 78 Ca 0.42 -1.95 0.09 0.00 -0.26 0.00 0.00 60.65 58.95 1r2r s ILE 78 Cb -0.09 -1.72 -0.04 0.00 1.25 0.00 0.00 42.46 41.86 1r2r s ILE 78 CO 0.30 -0.70 0.04 -0.94 0.24 0.00 0.00 174.94 173.88 1r2r s SER 79 N -2.98 4.81 0.35 4.36 1.04 -1.26 -0.59 113.70 119.42 1r2r s SER 79 Ca 0.14 -0.51 0.13 0.00 0.48 0.00 0.00 55.95 56.19 1r2r s SER 79 Cb 0.01 -1.00 1.00 0.00 0.10 0.00 0.00 66.02 66.13 1r2r s SER 79 CO 0.00 0.01 1.72 -0.65 0.98 0.00 0.00 173.24 175.30 1r2r h PRO 80 N 1.92 0.46 -0.89 4.02 0.11 -1.84 -0.81 132.00 134.98 1r2r h PRO 80 Ca -0.46 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1r2r h PRO 80 Cb 1.24 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 1r2r h PRO 80 CO 0.60 0.30 0.49 0.78 -0.21 0.00 0.00 178.00 179.97 1r2r h GLY 81 N 0.47 1.32 1.05 -0.55 0.00 -1.91 -0.17 103.07 103.29 1r2r h GLY 81 Ca 0.66 -0.59 -0.07 0.00 0.00 0.00 0.00 47.33 47.32 1r2r h GLY 81 CO -0.45 0.57 0.10 -0.33 0.00 0.00 0.00 176.54 176.42 1r2r h MET 82 N 1.24 1.03 -0.20 4.80 2.86 -1.50 -0.80 114.93 122.37 1r2r h MET 82 Ca 0.31 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1r2r h MET 82 Cb 0.02 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 1r2r h MET 82 CO -0.05 0.96 0.12 0.82 1.06 0.00 0.00 176.91 179.83 1r2r h ILE 83 N 0.94 1.07 -0.72 -1.22 2.04 -0.59 -1.92 117.51 117.12 1r2r h ILE 83 Ca 0.19 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.84 1r2r h ILE 83 Cb 0.44 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1r2r h ILE 83 CO 0.01 0.07 0.26 0.11 0.00 0.00 0.00 178.15 178.60 1r2r h LYS 84 N 0.25 1.09 0.00 2.37 1.57 -1.01 -2.07 116.57 118.76 1r2r h LYS 84 Ca 0.07 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1r2r h LYS 84 Cb 0.00 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 1r2r h LYS 84 CO -0.01 0.90 -0.15 0.22 -0.57 0.00 0.00 179.45 179.83 1r2r h ASP 85 N 1.06 0.00 -0.06 0.86 3.58 -0.78 0.35 116.42 121.43 1r2r h ASP 85 Ca 0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1r2r h ASP 85 Cb 0.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.29 1r2r h ASP 85 CO -0.02 0.15 0.00 0.00 -2.88 0.00 0.00 179.24 176.50 1r2r n GLY 87 N 1.04 0.76 3.82 0.00 0.00 0.11 -4.66 105.19 106.26 1r2r n GLY 87 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.71 3.23 -0.08 4.61 0.00 -0.82 -4.76 121.76 121.23 1r2r s ALA 88 Ca 0.00 0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.22 1r2r s ALA 88 Cb 0.00 -2.96 0.01 0.00 0.00 0.00 0.00 23.12 20.16 1r2r s ALA 88 CO 0.00 0.24 0.55 0.25 0.00 0.00 0.00 175.76 176.80 1r2r n THR 89 N -0.13 0.06 -4.16 0.00 -2.24 -0.59 -3.84 114.28 103.37 1r2r n THR 89 Ca 0.03 -0.53 -0.11 0.00 -2.27 0.00 0.00 64.05 61.17 1r2r n THR 89 Cb 0.53 0.99 -0.10 0.00 -2.10 0.00 0.00 70.33 69.64 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 -0.11 0.91 -0.00 4.78 0.52 -1.16 -1.36 118.94 122.53 1r2r s TRP 90 Ca 0.01 -0.83 0.01 0.00 0.02 0.00 0.00 56.10 55.31 1r2r s TRP 90 Cb 0.01 -0.52 -0.00 0.00 -1.15 0.00 0.00 33.47 31.80 1r2r s TRP 90 CO 0.01 -0.11 -0.04 0.54 0.02 0.00 0.00 176.95 177.37 1r2r s VAL 91 N -3.24 0.32 -0.13 4.03 0.11 -0.19 -1.18 120.40 120.12 1r2r s VAL 91 Ca 0.09 -0.17 -0.23 0.00 -2.93 0.00 0.00 61.98 58.74 1r2r s VAL 91 Cb 0.03 -0.28 -0.03 0.00 -1.53 0.00 0.00 36.38 34.57 1r2r s VAL 91 CO -0.03 0.09 0.70 -0.69 -3.33 0.00 0.00 175.10 171.84 1r2r s VAL 92 N -0.10 5.00 -0.01 2.04 1.01 -0.15 -0.99 120.40 127.20 1r2r s VAL 92 Ca 0.02 1.40 0.03 0.00 0.00 0.00 0.00 61.98 63.43 1r2r s VAL 92 Cb -0.02 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 1r2r s VAL 92 CO -0.00 0.16 -0.11 -0.76 0.00 0.00 0.00 175.10 174.39 1r2r s LEU 93 N 1.43 1.96 -0.12 3.92 1.43 -0.20 -3.30 118.68 123.80 1r2r s LEU 93 Ca 0.35 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 1r2r s LEU 93 Cb -0.17 -0.58 0.00 0.00 0.03 0.00 0.00 46.19 45.47 1r2r s LEU 93 CO 0.14 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.45 1r2r n GLY 94 N 2.93 0.50 3.53 -3.19 0.00 -1.26 -0.86 105.19 106.85 1r2r n GLY 94 Ca -0.15 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.92 0.39 -0.28 1.61 -0.00 -1.26 -4.46 115.22 108.30 1r2r n HIS 95 Ca -0.01 0.60 0.16 0.00 0.46 0.00 0.00 57.72 58.92 1r2r n HIS 95 Cb 0.06 -2.11 0.43 0.00 -0.12 0.00 0.00 29.99 28.25 1r2r n HIS 95 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1r2r h SER 96 N 1.19 0.57 -0.46 0.26 0.87 -1.94 -0.17 113.55 113.86 1r2r h SER 96 Ca -0.42 0.05 -0.11 0.00 -1.23 0.00 0.00 61.79 60.09 1r2r h SER 96 Cb 1.37 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 63.26 1r2r h SER 96 CO 0.55 0.24 -0.10 -0.33 -0.53 0.00 0.00 176.83 176.65 1r2r h GLU 97 N 0.57 0.94 -0.56 2.24 5.08 -1.97 0.39 114.58 121.27 1r2r h GLU 97 Ca 0.49 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 1r2r h GLU 97 Cb 0.98 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1r2r h GLU 97 CO -0.23 0.99 0.06 0.00 -1.00 0.00 0.00 179.01 178.83 1r2r h ARG 98 N 0.84 0.95 -0.11 2.33 2.47 -1.39 -1.07 114.38 118.40 1r2r h ARG 98 Ca 0.14 -0.27 -0.03 0.00 -1.26 0.00 0.00 59.98 58.55 1r2r h ARG 98 Cb 0.64 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.85 1r2r h ARG 98 CO 0.04 0.93 -0.04 0.00 0.56 0.00 0.00 179.97 181.47 1r2r h ARG 99 N 0.84 0.23 0.00 0.04 3.08 -1.14 -1.53 114.38 115.90 1r2r h ARG 99 Ca 0.17 -0.09 -0.22 0.00 0.07 0.00 0.00 59.98 59.90 1r2r h ARG 99 Cb 0.46 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.46 1r2r h ARG 99 CO 0.02 0.54 -2.08 0.72 -1.07 0.00 0.00 179.97 178.10 1r2r n HIS 100 N -4.73 0.00 -0.00 3.04 8.25 0.11 -1.69 115.22 120.20 1r2r n HIS 100 Ca -0.06 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.18 1r2r n HIS 100 Cb 0.25 -0.72 -0.14 0.00 1.12 0.00 0.00 29.99 30.50 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 0.74 -0.02 1.59 2.07 -1.35 -3.40 116.25 115.87 1r2r h VAL 101 Ca -0.33 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 64.84 1r2r h VAL 101 Cb 1.71 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 34.00 1r2r h VAL 101 CO 0.02 0.80 -0.25 0.49 0.02 0.00 0.00 177.57 178.64 1r2r n PHE 102 N -3.67 0.00 -1.68 1.57 3.72 -0.94 -5.00 117.46 111.47 1r2r n PHE 102 Ca -0.31 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 56.99 1r2r n PHE 102 Cb 0.99 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.50 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 1.29 0.64 3.71 1.37 0.00 -0.68 -4.94 105.19 106.58 1r2r n GLY 103 Ca 0.10 -0.53 -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 -3.56 4.19 0.68 1.61 2.02 -0.65 -4.96 118.70 118.04 1r2r s GLU 104 Ca 0.00 2.39 -0.12 0.00 0.02 0.00 0.00 54.97 57.26 1r2r s GLU 104 Cb 0.00 -3.33 0.00 0.00 0.10 0.00 0.00 34.13 30.90 1r2r s GLU 104 CO 0.00 -0.68 1.07 -1.54 0.02 0.00 0.00 175.26 174.12 1r2r s SER 105 N 1.69 5.34 0.24 -0.19 1.04 -1.26 -4.58 113.70 115.98 1r2r s SER 105 Ca 0.73 1.71 -0.06 0.00 0.48 0.00 0.00 55.95 58.81 1r2r s SER 105 Cb -0.43 -2.51 0.23 0.00 0.10 0.00 0.00 66.02 63.41 1r2r s SER 105 CO 0.32 -1.47 1.85 0.44 0.98 0.00 0.00 173.24 175.37 1r2r h ASP 106 N -0.46 1.10 -0.29 7.02 3.45 -2.00 -1.71 116.42 123.53 1r2r h ASP 106 Ca -0.45 -0.11 -0.00 0.00 0.43 0.00 0.00 57.03 56.91 1r2r h ASP 106 Cb 1.22 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 39.69 1r2r h ASP 106 CO 0.56 0.89 0.18 -0.08 -1.57 0.00 0.00 179.24 179.22 1r2r h GLU 107 N 1.23 0.39 -0.50 3.56 4.81 -2.00 -1.90 114.58 120.18 1r2r h GLU 107 Ca 0.31 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.48 1r2r h GLU 107 Cb 0.05 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1r2r h GLU 107 CO -0.05 0.30 0.20 1.25 -0.73 0.00 0.00 179.01 179.98 1r2r h LEU 108 N 0.38 0.69 -0.73 1.64 5.85 -1.86 -1.18 115.31 120.10 1r2r h LEU 108 Ca 0.11 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.70 1r2r h LEU 108 Cb -0.00 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 1r2r h LEU 108 CO -0.02 0.66 0.45 0.40 -0.34 0.00 0.00 178.44 179.59 1r2r h ILE 109 N 0.67 1.07 -0.79 4.05 1.08 -1.09 -0.03 117.51 122.46 1r2r h ILE 109 Ca 0.17 -0.29 0.01 0.00 -0.39 0.00 0.00 64.86 64.35 1r2r h ILE 109 Cb 0.19 0.13 -0.04 0.00 -3.07 0.00 0.00 36.82 34.03 1r2r h ILE 109 CO -0.01 0.16 0.52 1.23 -0.69 0.00 0.00 178.15 179.35 1r2r h GLY 110 N 0.86 1.11 1.26 5.37 0.00 -0.90 -0.85 103.07 109.92 1r2r h GLY 110 Ca 0.30 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 47.15 1r2r h GLY 110 CO -0.13 0.40 0.06 1.46 0.00 0.00 0.00 176.54 178.33 1r2r h GLN 111 N 1.06 0.91 -0.50 4.80 4.20 -0.60 -1.32 115.11 123.67 1r2r h GLN 111 Ca 0.29 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 1r2r h GLN 111 Cb -0.12 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 1r2r h GLN 111 CO -0.06 0.86 0.02 0.87 -0.67 0.00 0.00 178.83 179.85 1r2r h LYS 112 N 0.85 0.86 -0.04 1.46 1.57 -0.41 -1.36 116.57 119.50 1r2r h LYS 112 Ca 0.17 -0.26 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1r2r h LYS 112 Cb 0.42 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1r2r h LYS 112 CO 0.01 0.89 -0.05 0.28 -0.57 0.00 0.00 179.45 180.01 1r2r h VAL 113 N 0.72 0.84 -0.61 0.50 2.07 -0.91 -0.07 116.25 118.80 1r2r h VAL 113 Ca 0.14 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.69 1r2r h VAL 113 Cb 0.49 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1r2r h VAL 113 CO 0.02 0.00 0.37 0.00 0.02 0.00 0.00 177.57 177.98 1r2r h ALA 114 N 0.95 0.79 -0.20 1.67 0.00 -1.14 -1.48 119.26 119.85 1r2r h ALA 114 Ca 0.04 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1r2r h ALA 114 Cb 0.13 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1r2r h ALA 114 CO -0.09 0.10 -0.14 1.25 0.00 0.00 0.00 179.25 180.38 1r2r h HIS 115 N 0.73 0.53 -0.60 0.00 6.17 -1.01 -1.13 115.15 119.84 1r2r h HIS 115 Ca 0.25 -0.14 0.00 0.00 0.71 0.00 0.00 60.37 61.19 1r2r h HIS 115 Cb 0.03 -0.12 -0.03 0.00 2.52 0.00 0.00 27.41 29.82 1r2r h HIS 115 CO -0.06 0.77 0.39 0.00 0.71 0.00 0.00 177.93 179.75 1r2r h ALA 116 N 0.68 0.76 -0.51 5.26 0.00 -0.80 -1.34 119.26 123.31 1r2r h ALA 116 Ca 0.04 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1r2r h ALA 116 Cb 0.65 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1r2r h ALA 116 CO 0.04 0.20 -0.06 -0.07 0.00 0.00 0.00 179.25 179.36 1r2r h LEU 117 N 0.82 0.94 -1.43 0.00 3.38 -1.23 -1.49 115.31 116.29 1r2r h LEU 117 Ca 0.22 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1r2r h LEU 117 Cb -0.08 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 1r2r h LEU 117 CO -0.05 1.05 0.23 -1.28 0.09 0.00 0.00 178.44 178.48 1r2r h SER 118 N 0.81 0.55 0.05 -0.43 0.87 -0.81 -2.02 113.55 112.57 1r2r h SER 118 Ca 0.14 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1r2r h SER 118 Cb 0.61 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1r2r h SER 118 CO 0.04 0.46 -0.05 -0.62 -0.53 0.00 0.00 176.83 176.13 1r2r n GLU 119 N -4.41 1.39 -0.16 2.24 -0.58 -0.54 -4.93 120.64 113.65 1r2r n GLU 119 Ca 0.03 -0.72 0.00 0.00 -0.42 0.00 0.00 57.16 56.05 1r2r n GLU 119 Cb 0.11 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 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 1.19 0.91 3.90 0.62 0.00 -0.76 -4.91 105.19 106.14 1r2r n GLY 120 Ca 0.18 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1r2r n GLY 120 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1r2r s LEU 121 N 0.00 4.00 0.44 0.99 2.96 -0.60 -5.02 118.68 121.45 1r2r s LEU 121 Ca 0.00 0.79 -0.13 0.00 -0.22 0.00 0.00 54.13 54.57 1r2r s LEU 121 Cb 0.00 -3.62 -0.07 0.00 0.50 0.00 0.00 46.19 43.00 1r2r s LEU 121 CO 0.00 -0.25 0.84 -0.83 -1.32 0.00 0.00 176.35 174.80 1r2r s GLY 122 N -3.22 1.99 -0.06 7.98 0.00 -0.46 -4.18 107.32 109.37 1r2r s GLY 122 Ca 0.45 -0.07 0.03 0.00 0.00 0.00 0.00 44.72 45.14 1r2r s GLY 122 CO 0.31 0.15 -0.15 0.14 0.00 0.00 0.00 173.10 173.55 1r2r s VAL 123 N -2.46 1.35 -0.51 1.40 1.01 -0.24 -1.02 120.40 119.94 1r2r s VAL 123 Ca 0.54 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.74 1r2r s VAL 123 Cb -0.10 -1.19 0.12 0.00 0.00 0.00 0.00 36.38 35.20 1r2r s VAL 123 CO 0.31 0.40 0.45 -0.63 0.00 0.00 0.00 175.10 175.63 1r2r s ILE 124 N 0.38 5.00 -0.27 2.22 1.01 -0.16 -1.23 121.20 128.14 1r2r s ILE 124 Ca -0.11 -1.49 -0.13 0.00 0.00 0.00 0.00 60.65 58.92 1r2r s ILE 124 Cb -0.14 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 1r2r s ILE 124 CO 0.04 -0.80 0.28 0.00 0.00 0.00 0.00 174.94 174.46 1r2r s ALA 125 N 1.56 3.55 -0.11 9.38 0.00 0.03 -1.04 121.76 135.13 1r2r s ALA 125 Ca 0.04 -0.94 -0.06 0.00 0.00 0.00 0.00 51.96 51.00 1r2r s ALA 125 Cb -0.28 -2.58 -0.04 0.00 0.00 0.00 0.00 23.12 20.22 1r2r s ALA 125 CO 0.03 -0.57 0.10 0.00 0.00 0.00 0.00 175.76 175.32 1r2r s ILE 127 N -0.99 0.38 0.00 0.00 -0.00 -0.49 -4.60 121.20 115.50 1r2r s ILE 127 Ca 0.15 -1.95 0.00 0.00 -0.00 0.00 0.00 60.65 58.84 1r2r s ILE 127 Cb -0.12 -2.17 0.00 0.00 -0.00 0.00 0.00 42.46 40.17 1r2r s ILE 127 CO 0.04 -0.39 0.00 0.61 -0.00 0.00 0.00 174.94 175.20 1r2r n GLY 128 N -0.21 3.66 3.79 6.27 0.00 -1.26 -0.75 105.19 116.69 1r2r n GLY 128 Ca -0.05 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.18 2.95 0.74 1.61 1.03 -1.25 -4.82 118.70 116.78 1r2r s GLU 129 Ca 0.00 -0.65 -0.10 0.00 0.03 0.00 0.00 54.97 54.25 1r2r s GLU 129 Cb 0.00 -2.77 0.06 0.00 -0.80 0.00 0.00 34.13 30.62 1r2r s GLU 129 CO 0.00 0.58 1.09 0.15 -1.33 0.00 0.00 175.26 175.75 1r2r s LYS 130 N -2.36 2.26 0.20 -4.83 1.02 -1.26 -1.89 119.74 112.88 1r2r s LYS 130 Ca 0.29 0.04 -0.11 0.00 0.02 0.00 0.00 55.97 56.21 1r2r s LYS 130 Cb -0.12 -2.06 0.13 0.00 -0.52 0.00 0.00 37.83 35.26 1r2r s LYS 130 CO 0.22 -1.32 1.83 1.25 -0.92 0.00 0.00 175.35 176.41 1r2r h LEU 131 N -0.77 0.86 -1.15 3.17 5.85 -1.82 -0.87 115.31 120.58 1r2r h LEU 131 Ca -0.45 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.15 1r2r h LEU 131 Cb 1.31 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1r2r h LEU 131 CO 0.63 0.68 0.14 -2.24 -0.34 0.00 0.00 178.44 177.32 1r2r h ASP 132 N 0.97 0.68 -0.32 1.25 2.03 -1.97 -0.20 116.42 118.87 1r2r h ASP 132 Ca 0.25 -0.10 -0.08 0.00 -0.73 0.00 0.00 57.03 56.37 1r2r h ASP 132 Cb -0.01 -0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 38.30 1r2r h ASP 132 CO -0.05 0.66 -0.11 -0.33 -1.03 0.00 0.00 179.24 178.38 1r2r h GLU 133 N 0.72 0.64 -0.40 4.15 5.08 -1.79 -0.90 114.58 122.07 1r2r h GLU 133 Ca 0.16 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 1r2r h GLU 133 Cb 0.24 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1r2r h GLU 133 CO -0.01 0.84 0.02 -0.09 -1.00 0.00 0.00 179.01 178.77 1r2r h ARG 134 N 0.41 0.70 0.00 2.33 2.43 -0.84 -1.69 114.38 117.72 1r2r h ARG 134 Ca 0.08 -0.22 -0.06 0.00 -0.81 0.00 0.00 59.98 58.97 1r2r h ARG 134 Cb 0.62 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1r2r h ARG 134 CO 0.04 0.78 -0.28 0.93 -1.51 0.00 0.00 179.97 179.93 1r2r h GLU 135 N 0.54 0.00 0.00 0.20 5.08 -0.96 -1.33 114.58 118.10 1r2r h GLU 135 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1r2r h GLU 135 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1r2r h GLU 135 CO 0.02 0.28 0.00 0.00 -1.00 0.00 0.00 179.01 178.30 1r2r n ALA 136 N -2.35 2.09 -0.80 3.43 0.00 -0.35 -4.92 120.51 117.61 1r2r n ALA 136 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1r2r n ALA 136 Cb 0.38 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 0.94 0.52 1.29 0.00 0.00 -0.50 -4.96 105.19 102.48 1r2r n GLY 137 Ca 0.05 -0.74 0.01 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.80 2.56 -0.14 -0.61 -5.35 -0.67 -4.70 119.36 107.63 1r2r n ILE 138 Ca 0.00 -2.04 -0.06 0.00 -0.27 0.00 0.00 62.75 60.38 1r2r n ILE 138 Cb 0.00 -0.31 -0.00 0.00 -1.74 0.00 0.00 39.64 37.59 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 1.84 0.25 -0.08 7.28 2.02 -1.85 -0.82 112.91 121.55 1r2r h THR 139 Ca 0.14 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.32 1r2r h THR 139 Cb 1.78 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1r2r h THR 139 CO 0.42 0.00 0.05 -0.33 0.37 0.00 0.00 175.52 176.03 1r2r h GLU 140 N -0.20 0.10 -0.88 6.66 5.08 -1.96 -0.12 114.58 123.27 1r2r h GLU 140 Ca 0.20 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.65 1r2r h GLU 140 Cb 0.52 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.68 1r2r h GLU 140 CO -0.57 0.10 0.52 0.87 -1.00 0.00 0.00 179.01 178.93 1r2r h LYS 141 N 0.08 0.85 0.27 2.33 1.57 -1.77 0.67 116.57 120.57 1r2r h LYS 141 Ca 0.03 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1r2r h LYS 141 Cb 0.02 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.14 1r2r h LYS 141 CO -0.01 0.56 -0.13 0.28 -0.57 0.00 0.00 179.45 179.59 1r2r h VAL 142 N 0.88 0.71 -0.02 0.50 2.07 -0.75 -2.38 116.25 117.25 1r2r h VAL 142 Ca 0.42 -0.78 -0.12 0.00 0.82 0.00 0.00 66.70 67.04 1r2r h VAL 142 Cb 0.37 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1r2r h VAL 142 CO -0.24 0.14 -0.56 -0.37 0.02 0.00 0.00 177.57 176.56 1r2r h VAL 143 N -0.82 1.40 -0.29 2.57 -1.51 -0.90 -1.83 116.25 114.87 1r2r h VAL 143 Ca -0.04 -1.92 -0.13 0.00 -1.23 0.00 0.00 66.70 63.39 1r2r h VAL 143 Cb 0.51 2.01 -0.01 0.00 -2.13 0.00 0.00 31.29 31.67 1r2r h VAL 143 CO 0.06 0.55 -0.34 -0.26 -1.23 0.00 0.00 177.57 176.35 1r2r h PHE 144 N 0.05 0.73 -0.34 5.19 0.04 -0.94 -0.62 116.94 121.05 1r2r h PHE 144 Ca -0.00 -0.19 -0.08 0.00 2.80 0.00 0.00 57.97 60.49 1r2r h PHE 144 Cb 1.01 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.98 1r2r h PHE 144 CO 0.00 0.89 -0.12 1.49 -0.60 0.00 0.00 178.31 179.97 1r2r h GLU 145 N 0.53 0.68 -0.84 1.51 4.57 -1.12 0.66 114.58 120.57 1r2r h GLU 145 Ca 0.06 -0.28 0.01 0.00 -1.18 0.00 0.00 59.36 57.97 1r2r h GLU 145 Cb 0.84 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.36 1r2r h GLU 145 CO 0.07 0.87 0.55 1.96 -1.18 0.00 0.00 179.01 181.28 1r2r h GLN 146 N 0.46 1.10 -0.47 1.92 4.20 -1.20 -2.24 115.11 118.89 1r2r h GLN 146 Ca 0.08 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.62 1r2r h GLN 146 Cb 0.64 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 1r2r h GLN 146 CO 0.04 0.74 -0.13 1.15 -0.67 0.00 0.00 178.83 179.96 1r2r h THR 147 N 1.13 1.26 -0.41 -0.54 2.02 -0.95 -2.34 112.91 113.08 1r2r h THR 147 Ca 0.31 -1.23 0.02 0.00 0.77 0.00 0.00 66.41 66.27 1r2r h THR 147 Cb -0.12 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1r2r h THR 147 CO -0.07 0.43 0.24 0.50 0.37 0.00 0.00 175.52 176.99 1r2r h LYS 148 N 0.78 0.47 -0.56 6.66 3.64 -0.44 0.12 116.57 127.23 1r2r h LYS 148 Ca 0.12 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1r2r h LYS 148 Cb 0.65 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1r2r h LYS 148 CO 0.04 0.31 0.16 0.28 -2.27 0.00 0.00 179.45 177.97 1r2r h VAL 149 N 0.48 1.24 -0.06 2.00 2.07 -1.26 0.14 116.25 120.86 1r2r h VAL 149 Ca 0.17 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.85 1r2r h VAL 149 Cb 0.02 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1r2r h VAL 149 CO -0.08 0.31 0.01 0.40 0.02 0.00 0.00 177.57 178.23 1r2r h ILE 150 N 0.79 0.98 -0.56 4.57 2.04 -1.05 -2.97 117.51 121.31 1r2r h ILE 150 Ca 0.18 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 1r2r h ILE 150 Cb 0.31 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1r2r h ILE 150 CO -0.00 0.01 0.31 0.00 0.00 0.00 0.00 178.15 178.47 1r2r h ALA 151 N 1.04 1.50 0.00 1.87 0.00 -0.34 -0.70 119.26 122.63 1r2r h ALA 151 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1r2r h ALA 151 Cb 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1r2r h ALA 151 CO -0.03 0.42 0.00 -0.44 0.00 0.00 0.00 179.25 179.20 1r2r h ASP 152 N 0.77 0.00 -0.18 0.00 3.32 -0.58 -2.37 116.42 117.39 1r2r h ASP 152 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1r2r h ASP 152 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 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 -2.91 3.23 -4.07 6.45 3.02 -0.29 -4.94 115.26 115.74 1r2r n ASN 153 Ca -0.02 -2.87 -0.32 0.00 -0.03 0.00 0.00 54.58 51.35 1r2r n ASN 153 Cb 0.13 -0.45 -0.16 0.00 -0.61 0.00 0.00 39.78 38.69 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 -2.54 1.83 -0.13 2.41 1.01 -0.89 -3.84 120.40 118.24 1r2r s VAL 154 Ca 0.35 -0.84 0.17 0.00 0.00 0.00 0.00 61.98 61.66 1r2r s VAL 154 Cb 0.28 -1.70 -0.24 0.00 0.00 0.00 0.00 36.38 34.72 1r2r s VAL 154 CO 0.07 0.46 0.39 0.29 0.00 0.00 0.00 175.10 176.31 1r2r n LYS 155 N 4.68 0.66 -3.78 2.72 5.02 -1.26 -4.86 118.16 121.34 1r2r n LYS 155 Ca -0.19 0.06 -0.23 0.00 -2.02 0.00 0.00 58.31 55.94 1r2r n LYS 155 Cb 0.49 -1.63 -0.17 0.00 -0.02 0.00 0.00 35.03 33.70 1r2r n LYS 155 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1r2r s ASP 156 N -5.50 1.56 0.00 4.39 2.15 -1.26 -5.04 116.67 112.98 1r2r s ASP 156 Ca -0.07 -0.09 0.29 0.00 0.43 0.00 0.00 52.55 53.11 1r2r s ASP 156 Cb 0.08 -0.44 1.32 0.00 -0.30 0.00 0.00 42.92 43.58 1r2r s ASP 156 CO 0.84 -0.19 1.92 0.79 -0.17 0.00 0.00 175.17 178.36 1r2r n TRP 157 N 5.10 0.00 -0.31 -5.34 7.02 -1.26 -4.27 117.44 118.38 1r2r n TRP 157 Ca -0.08 0.00 0.17 0.00 -1.02 0.00 0.00 57.50 56.57 1r2r n TRP 157 Cb 0.50 -0.22 0.34 0.00 -2.42 0.00 0.00 31.31 29.51 1r2r n TRP 157 CO 0.00 0.00 0.00 0.77 -2.02 0.00 0.00 177.69 176.44 1r2r h SER 158 N 0.34 -0.03 -0.33 -0.99 0.02 -1.98 -1.74 113.55 108.84 1r2r h SER 158 Ca 0.00 0.22 -0.19 0.00 -0.84 0.00 0.00 61.79 60.99 1r2r h SER 158 Cb 0.33 0.31 -0.12 0.00 0.14 0.00 0.00 62.40 63.06 1r2r h SER 158 CO 0.00 -0.24 -0.20 0.29 -1.14 0.00 0.00 176.83 175.54 1r2r n LYS 159 N -5.28 1.93 -4.87 3.45 5.02 -1.26 -4.96 118.16 112.19 1r2r n LYS 159 Ca 0.25 -3.30 -0.33 0.00 -2.02 0.00 0.00 58.31 52.91 1r2r n LYS 159 Cb 0.80 -1.82 -0.13 0.00 -0.02 0.00 0.00 35.03 33.86 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 -3.40 3.06 -0.07 -0.18 1.01 -0.66 -1.08 120.40 119.09 1r2r s VAL 160 Ca 0.44 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.75 1r2r s VAL 160 Cb 0.40 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.58 1r2r s VAL 160 CO -0.02 0.58 -0.17 -0.69 0.00 0.00 0.00 175.10 174.80 1r2r s VAL 161 N -0.56 1.48 -0.07 2.92 1.01 -0.37 -4.55 120.40 120.27 1r2r s VAL 161 Ca 0.08 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.21 1r2r s VAL 161 Cb -0.11 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1r2r s VAL 161 CO 0.01 0.43 0.37 -0.76 0.00 0.00 0.00 175.10 175.16 1r2r s LEU 162 N 0.36 4.38 -0.19 3.92 1.43 -0.41 -0.79 118.68 127.37 1r2r s LEU 162 Ca -0.12 0.79 0.01 0.00 -1.03 0.00 0.00 54.13 53.79 1r2r s LEU 162 Cb -0.15 -2.52 0.03 0.00 0.03 0.00 0.00 46.19 43.59 1r2r s LEU 162 CO 0.05 0.22 -0.16 0.00 0.23 0.00 0.00 176.35 176.68 1r2r s ALA 163 N -0.41 2.27 -0.23 4.21 0.00 0.23 -0.42 121.76 127.41 1r2r s ALA 163 Ca 0.22 -1.27 -0.21 0.00 0.00 0.00 0.00 51.96 50.69 1r2r s ALA 163 Cb -0.15 -1.25 -0.02 0.00 0.00 0.00 0.00 23.12 21.70 1r2r s ALA 163 CO 0.10 -0.56 0.67 -0.47 0.00 0.00 0.00 175.76 175.50 1r2r s TYR 164 N 1.30 3.32 -0.29 0.00 5.04 -0.30 -1.40 117.35 125.02 1r2r s TYR 164 Ca 0.02 0.92 -0.06 0.00 -2.44 0.00 0.00 57.07 55.51 1r2r s TYR 164 Cb -0.15 -2.87 0.01 0.00 0.35 0.00 0.00 41.96 39.31 1r2r s TYR 164 CO -0.11 -0.28 0.07 -1.21 -1.34 0.00 0.00 175.55 172.68 1r2r s GLU 165 N 2.35 3.08 -1.25 4.97 2.02 0.07 0.06 118.70 130.01 1r2r s GLU 165 Ca 0.29 -0.86 -0.20 0.00 0.02 0.00 0.00 54.97 54.22 1r2r s GLU 165 Cb -0.16 -3.35 0.02 0.00 0.10 0.00 0.00 34.13 30.75 1r2r s GLU 165 CO 0.09 -0.44 1.78 -1.25 0.02 0.00 0.00 175.26 175.46 1r2r s PRO 166 N 1.49 3.54 0.49 0.39 0.04 -1.26 -3.91 135.00 135.78 1r2r s PRO 166 Ca 0.02 -1.70 0.17 0.00 0.04 0.00 0.00 61.00 59.54 1r2r s PRO 166 Cb -0.17 -5.44 1.20 0.00 0.04 0.00 0.00 34.50 30.12 1r2r s PRO 166 CO 0.02 -2.74 2.08 0.28 0.04 0.00 0.00 177.00 176.68 1r2r h VAL 167 N 5.83 1.00 0.00 -0.36 2.07 -1.82 0.29 116.25 123.27 1r2r h VAL 167 Ca 0.37 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1r2r h VAL 167 Cb 0.90 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1r2r h VAL 167 CO 1.39 0.09 0.02 4.11 0.02 0.00 0.00 177.57 183.21 1r2r h TRP 168 N 0.00 0.00 -0.01 1.57 5.08 -1.62 -1.90 115.95 119.07 1r2r h TRP 168 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1r2r h TRP 168 Cb 0.17 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.33 1r2r h TRP 168 CO 0.00 0.00 -0.18 0.00 -1.28 0.00 0.00 178.44 176.98 1r2r n ALA 169 N -2.00 2.80 -2.52 0.11 0.00 0.08 -4.65 120.51 114.33 1r2r n ALA 169 Ca -0.03 -0.49 -0.43 0.00 0.00 0.00 0.00 53.44 52.49 1r2r n ALA 169 Cb 0.09 -0.40 -0.10 0.00 0.00 0.00 0.00 19.45 19.04 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 -1.36 5.24 0.00 0.00 1.01 -0.72 -4.23 121.20 121.14 1r2r s ILE 170 Ca 0.11 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 60.06 1r2r s ILE 170 Cb 0.09 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.60 1r2r s ILE 170 CO 0.25 -0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.45 1r2r n GLY 171 N 5.16 0.77 0.00 6.18 0.00 -1.26 -4.91 105.19 111.13 1r2r n GLY 171 Ca -0.11 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.08 0.00 -0.40 2.61 -2.24 -1.26 -4.98 114.28 105.94 1r2r n THR 172 Ca 0.00 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1r2r n THR 172 Cb 0.00 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 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 1.34 1.02 3.89 3.38 0.00 -1.26 -5.06 105.19 108.49 1r2r n GLY 173 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.45 3.71 -0.11 1.61 1.02 -1.26 -5.09 119.74 119.17 1r2r s LYS 174 Ca 0.00 0.11 0.03 0.00 0.02 0.00 0.00 55.97 56.12 1r2r s LYS 174 Cb 0.00 -2.71 0.01 0.00 -0.52 0.00 0.00 37.83 34.61 1r2r s LYS 174 CO 0.00 0.34 -0.19 0.99 -0.92 0.00 0.00 175.35 175.57 1r2r s THR 175 N -1.83 1.75 0.24 2.17 2.01 -1.26 -4.62 115.64 114.09 1r2r s THR 175 Ca 0.45 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 61.34 1r2r s THR 175 Cb -0.11 -1.55 -0.09 0.00 0.01 0.00 0.00 72.50 70.76 1r2r s THR 175 CO 0.24 0.49 1.11 0.00 -0.69 0.00 0.00 174.62 175.77 1r2r s ALA 176 N 0.73 3.40 0.53 7.40 0.00 -1.26 -5.05 121.76 127.50 1r2r s ALA 176 Ca -0.11 0.87 -0.11 0.00 0.00 0.00 0.00 51.96 52.61 1r2r s ALA 176 Cb -0.16 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 1r2r s ALA 176 CO 0.02 -0.19 0.92 0.95 0.00 0.00 0.00 175.76 177.46 1r2r s THR 177 N -0.74 4.72 0.45 0.00 -4.23 -1.26 -4.92 115.64 109.66 1r2r s THR 177 Ca 0.47 0.77 0.19 0.00 -1.18 0.00 0.00 61.69 61.94 1r2r s THR 177 Cb -0.31 -3.81 0.38 0.00 1.34 0.00 0.00 72.50 70.10 1r2r s THR 177 CO 0.38 -0.86 1.91 -0.65 -0.54 0.00 0.00 174.62 174.86 1r2r h PRO 178 N 0.38 0.31 -0.23 3.99 0.11 -1.97 -1.25 132.00 133.34 1r2r h PRO 178 Ca -0.46 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.48 1r2r h PRO 178 Cb 1.19 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1r2r h PRO 178 CO 0.62 0.21 -0.49 1.96 -0.21 0.00 0.00 178.00 180.08 1r2r h GLN 179 N 0.32 0.64 -0.40 1.05 7.50 -1.96 -0.75 115.11 121.51 1r2r h GLN 179 Ca 0.39 -0.38 -0.12 0.00 0.50 0.00 0.00 58.65 59.05 1r2r h GLN 179 Cb 1.04 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 28.59 1r2r h GLN 179 CO -0.11 0.99 -0.22 1.96 -1.50 0.00 0.00 178.83 179.95 1r2r h GLN 180 N 0.51 0.80 -0.11 1.46 4.20 -1.70 -1.17 115.11 119.09 1r2r h GLN 180 Ca 0.02 -0.32 -0.00 0.00 0.06 0.00 0.00 58.65 58.41 1r2r h GLN 180 Cb 1.04 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.78 1r2r h GLN 180 CO 0.10 0.94 0.05 0.00 -0.67 0.00 0.00 178.83 179.25 1r2r h ALA 181 N 1.06 0.14 -0.77 3.87 0.00 -1.17 -2.63 119.26 119.76 1r2r h ALA 181 Ca 0.10 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.02 1r2r h ALA 181 Cb 0.74 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 1r2r h ALA 181 CO 0.06 -0.29 0.42 0.37 0.00 0.00 0.00 179.25 179.80 1r2r h GLN 182 N 0.04 0.68 -0.44 0.00 5.75 -1.02 -0.53 115.11 119.59 1r2r h GLN 182 Ca 0.04 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 1r2r h GLN 182 Cb 0.13 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 1r2r h GLN 182 CO -0.00 0.45 0.21 1.49 -2.65 0.00 0.00 178.83 178.33 1r2r h GLU 183 N 0.70 0.63 -0.26 1.69 4.81 -1.08 -0.61 114.58 120.47 1r2r h GLU 183 Ca 0.37 -0.09 -0.14 0.00 -0.13 0.00 0.00 59.36 59.37 1r2r h GLU 183 Cb 0.36 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1r2r h GLU 183 CO -0.26 0.54 -0.38 0.28 -0.73 0.00 0.00 179.01 178.47 1r2r h VAL 184 N 0.57 1.31 -0.94 0.32 2.07 -1.09 -2.05 116.25 116.44 1r2r h VAL 184 Ca 0.15 -1.57 -0.00 0.00 0.82 0.00 0.00 66.70 66.10 1r2r h VAL 184 Cb 0.12 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 1r2r h VAL 184 CO -0.02 0.50 0.58 0.45 0.02 0.00 0.00 177.57 179.10 1r2r h HIS 185 N 0.44 1.23 -0.47 1.57 3.86 -0.88 0.48 115.15 121.39 1r2r h HIS 185 Ca 0.03 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.14 1r2r h HIS 185 Cb 0.97 -0.41 -0.02 0.00 1.06 0.00 0.00 27.41 29.01 1r2r h HIS 185 CO 0.08 0.81 -0.11 1.49 0.86 0.00 0.00 177.93 181.05 1r2r h GLU 186 N 1.29 0.86 -0.45 2.45 4.81 -1.03 -0.13 114.58 122.38 1r2r h GLU 186 Ca 0.34 -0.30 -0.10 0.00 -0.13 0.00 0.00 59.36 59.18 1r2r h GLU 186 Cb -0.07 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1r2r h GLU 186 CO -0.07 0.93 -0.10 0.87 -0.73 0.00 0.00 179.01 179.91 1r2r h LYS 187 N 0.77 0.86 -0.66 1.92 1.57 -0.67 -0.59 116.57 119.76 1r2r h LYS 187 Ca 0.13 -0.32 -0.07 0.00 -1.87 0.00 0.00 60.65 58.52 1r2r h LYS 187 Cb 0.62 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 1r2r h LYS 187 CO 0.04 0.96 0.15 -0.07 -0.57 0.00 0.00 179.45 179.96 1r2r h LEU 188 N 0.69 1.00 -0.72 2.94 3.38 -0.66 -0.99 115.31 120.95 1r2r h LEU 188 Ca 0.11 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1r2r h LEU 188 Cb 0.64 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1r2r h LEU 188 CO 0.04 0.97 0.10 -0.09 0.09 0.00 0.00 178.44 179.55 1r2r h ARG 189 N 1.00 1.08 -0.54 1.13 2.43 -0.81 -1.95 114.38 116.72 1r2r h ARG 189 Ca 0.21 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1r2r h ARG 189 Cb 0.37 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1r2r h ARG 189 CO 0.00 1.00 0.35 0.78 -1.51 0.00 0.00 179.97 180.59 1r2r h GLY 190 N 1.05 0.77 0.97 2.80 0.00 -0.76 -1.11 103.07 106.78 1r2r h GLY 190 Ca 0.20 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 1r2r h GLY 190 CO 0.01 0.28 0.11 -0.25 0.00 0.00 0.00 176.54 176.70 1r2r h TRP 191 N 0.74 0.80 -0.75 5.60 7.01 -0.59 -1.64 115.95 127.11 1r2r h TRP 191 Ca 0.20 -0.10 -0.04 0.00 2.11 0.00 0.00 58.89 61.06 1r2r h TRP 191 Cb -0.08 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 26.73 1r2r h TRP 191 CO 0.00 0.73 0.32 -0.07 -2.79 0.00 0.00 178.44 176.63 1r2r h LEU 192 N 0.64 1.02 -0.40 0.65 3.38 -0.98 -0.13 115.31 119.48 1r2r h LEU 192 Ca 0.15 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1r2r h LEU 192 Cb 0.34 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1r2r h LEU 192 CO 0.00 0.90 0.21 0.50 0.09 0.00 0.00 178.44 180.14 1r2r h LYS 193 N 1.08 0.57 0.01 1.13 3.64 -0.84 0.65 116.57 122.80 1r2r h LYS 193 Ca 0.25 -0.07 -0.20 0.00 -1.27 0.00 0.00 60.65 59.36 1r2r h LYS 193 Cb 0.18 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1r2r h LYS 193 CO -0.02 0.48 -0.89 0.77 -2.27 0.00 0.00 179.45 177.51 1r2r h SER 194 N 0.52 0.26 0.00 4.20 0.02 -1.12 -3.32 113.55 114.12 1r2r h SER 194 Ca 0.14 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1r2r h SER 194 Cb 0.08 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1r2r h SER 194 CO -0.02 1.03 -0.84 0.59 -1.14 0.00 0.00 176.83 176.45 1r2r n ASN 195 N -3.65 1.05 0.00 3.07 4.13 -0.08 -4.88 115.26 114.90 1r2r n ASN 195 Ca -0.04 -0.55 0.00 0.00 1.68 0.00 0.00 54.58 55.68 1r2r n ASN 195 Cb 0.82 1.16 0.00 0.00 -1.54 0.00 0.00 39.78 40.22 1r2r n ASN 195 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1r2r n VAL 196 N -1.46 0.00 -3.54 2.41 0.31 0.16 -5.03 118.33 111.17 1r2r n VAL 196 Ca 0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.26 1r2r n VAL 196 Cb 0.22 -0.50 -0.03 0.00 -0.91 0.00 0.00 33.84 32.62 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 0.28 -0.30 0.21 4.52 1.04 -0.81 -5.01 113.70 113.64 1r2r s SER 197 Ca 0.00 0.07 -0.08 0.00 0.48 0.00 0.00 55.95 56.42 1r2r s SER 197 Cb 0.00 0.30 0.30 0.00 0.10 0.00 0.00 66.02 66.72 1r2r s SER 197 CO 0.00 -0.45 1.76 -0.78 0.98 0.00 0.00 173.24 174.75 1r2r h ASP 198 N 2.10 0.34 -0.77 7.02 -0.00 -1.83 -1.77 116.42 121.51 1r2r h ASP 198 Ca -0.18 0.07 -0.04 0.00 -0.00 0.00 0.00 57.03 56.88 1r2r h ASP 198 Cb 1.21 0.02 -0.03 0.00 -0.00 0.00 0.00 39.33 40.52 1r2r h ASP 198 CO 0.28 0.20 0.31 0.00 -0.00 0.00 0.00 179.24 180.03 1r2r h ALA 199 N 1.42 1.00 -0.54 -0.78 0.00 -1.95 -1.02 119.26 117.38 1r2r h ALA 199 Ca 0.32 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1r2r h ALA 199 Cb 0.37 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1r2r h ALA 199 CO -0.28 0.62 0.00 0.28 0.00 0.00 0.00 179.25 179.87 1r2r h VAL 200 N 1.12 1.26 -0.64 0.00 2.07 -1.87 -1.73 116.25 116.46 1r2r h VAL 200 Ca 0.26 -1.11 0.02 0.00 0.82 0.00 0.00 66.70 66.69 1r2r h VAL 200 Cb 0.21 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1r2r h VAL 200 CO -0.02 0.40 0.41 0.00 0.02 0.00 0.00 177.57 178.37 1r2r h ALA 201 N 0.96 0.82 0.00 1.67 0.00 -0.90 -1.60 119.26 120.21 1r2r h ALA 201 Ca 0.15 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1r2r h ALA 201 Cb 0.53 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1r2r h ALA 201 CO 0.03 0.18 -0.54 1.96 0.00 0.00 0.00 179.25 180.88 1r2r h GLN 202 N 0.81 0.00 0.00 0.00 4.20 -1.01 -3.32 115.11 115.80 1r2r h GLN 202 Ca 0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 1r2r h GLN 202 Cb -0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1r2r h GLN 202 CO -0.08 0.54 -1.69 -1.13 -0.67 0.00 0.00 178.83 175.79 1r2r n SER 203 N -3.49 0.27 -4.68 1.46 3.41 -0.67 -4.73 113.62 105.19 1r2r n SER 203 Ca 0.00 -0.11 -0.42 0.00 -0.26 0.00 0.00 58.87 58.09 1r2r n SER 203 Cb 0.64 1.61 -0.03 0.00 -0.26 0.00 0.00 64.21 66.17 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 -3.41 4.85 0.11 6.66 2.01 -0.62 -4.87 115.64 120.36 1r2r s THR 204 Ca -0.04 1.80 -0.31 0.00 0.31 0.00 0.00 61.69 63.45 1r2r s THR 204 Cb 0.14 -4.21 -0.08 0.00 0.01 0.00 0.00 72.50 68.36 1r2r s THR 204 CO 0.88 0.03 1.39 -0.13 -0.69 0.00 0.00 174.62 176.10 1r2r s ARG 205 N 2.03 4.32 -0.29 4.92 3.00 -1.26 -4.97 118.95 126.69 1r2r s ARG 205 Ca 0.43 2.08 0.01 0.00 0.00 0.00 0.00 55.73 58.25 1r2r s ARG 205 Cb -0.17 -3.25 0.07 0.00 0.00 0.00 0.00 34.95 31.59 1r2r s ARG 205 CO 0.15 -0.44 -0.04 0.42 0.00 0.00 0.00 175.30 175.39 1r2r s ILE 206 N 1.13 2.47 0.09 1.52 1.01 -1.26 -1.29 121.20 124.88 1r2r s ILE 206 Ca 0.65 -1.69 0.02 0.00 0.00 0.00 0.00 60.65 59.63 1r2r s ILE 206 Cb -0.37 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 1r2r s ILE 206 CO 0.30 -0.17 0.14 0.27 0.00 0.00 0.00 174.94 175.49 1r2r s ILE 207 N 1.12 4.84 -0.19 2.92 -4.36 0.45 -1.15 121.20 124.83 1r2r s ILE 207 Ca -0.04 -0.69 -0.16 0.00 -0.26 0.00 0.00 60.65 59.49 1r2r s ILE 207 Cb -0.20 -3.38 -0.04 0.00 1.25 0.00 0.00 42.46 40.09 1r2r s ILE 207 CO -0.04 0.08 0.39 -0.47 0.24 0.00 0.00 174.94 175.14 1r2r s TYR 208 N -1.50 3.40 -0.17 1.37 5.04 -0.01 -1.16 117.35 124.32 1r2r s TYR 208 Ca 0.32 0.64 0.17 0.00 -2.44 0.00 0.00 57.07 55.76 1r2r s TYR 208 Cb -0.12 -2.50 0.49 0.00 0.35 0.00 0.00 41.96 40.18 1r2r s TYR 208 CO 0.24 0.05 1.38 0.41 -1.34 0.00 0.00 175.55 176.29 1r2r n GLY 209 N 3.77 4.21 0.65 8.97 0.00 0.11 -1.36 105.19 121.55 1r2r n GLY 209 Ca -0.09 -1.07 -0.04 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.69 -0.06 3.67 -0.02 0.00 -1.26 -4.64 105.19 102.20 1r2r n GLY 210 Ca 0.21 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.74 6.46 -0.01 1.61 0.15 -1.26 -4.80 113.70 114.12 1r2r s SER 211 Ca 0.12 2.65 0.01 0.00 0.70 0.00 0.00 55.95 59.43 1r2r s SER 211 Cb -0.01 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1r2r s SER 211 CO 0.08 -1.03 -0.02 0.54 1.20 0.00 0.00 173.24 174.01 1r2r s VAL 212 N 3.97 0.22 0.35 4.45 0.11 -1.26 -5.03 120.40 123.21 1r2r s VAL 212 Ca 0.85 -0.08 0.03 0.00 -2.93 0.00 0.00 61.98 59.85 1r2r s VAL 212 Cb -0.43 -0.22 -0.04 0.00 -1.53 0.00 0.00 36.38 34.16 1r2r s VAL 212 CO 0.39 0.08 0.10 0.42 -3.33 0.00 0.00 175.10 172.77 1r2r s THR 213 N 0.16 0.75 0.39 5.04 -4.23 -1.26 -4.65 115.64 111.85 1r2r s THR 213 Ca -0.01 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.60 1r2r s THR 213 Cb -0.04 -2.56 0.32 0.00 1.34 0.00 0.00 72.50 71.56 1r2r s THR 213 CO -0.00 0.00 1.94 1.23 -0.54 0.00 0.00 174.62 177.24 1r2r h GLY 214 N 2.04 0.87 2.00 3.99 0.00 -1.95 -1.42 103.07 108.59 1r2r h GLY 214 Ca -0.37 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 46.61 1r2r h GLY 214 CO 0.61 0.14 -0.46 0.00 0.00 0.00 0.00 176.54 176.82 1r2r h ALA 215 N 1.63 0.89 -0.00 3.60 0.00 -1.96 -3.33 119.26 120.09 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 0.53 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1r2r h ALA 215 CO -0.12 0.58 -0.47 0.25 0.00 0.00 0.00 179.25 179.49 1r2r n THR 216 N -3.50 0.00 -0.07 0.00 -2.24 -0.96 -4.72 114.28 102.79 1r2r n THR 216 Ca 0.00 -0.26 -0.06 0.00 -2.27 0.00 0.00 64.05 61.46 1r2r n THR 216 Cb 0.59 1.02 0.14 0.00 -2.10 0.00 0.00 70.33 69.97 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 0.64 0.57 -0.71 0.00 1.57 -1.81 -0.05 116.57 116.79 1r2r h LYS 218 Ca 0.10 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1r2r h LYS 218 Cb 0.62 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 1r2r h LYS 218 CO 0.04 0.60 0.31 1.49 -0.57 0.00 0.00 179.45 181.32 1r2r h GLU 219 N 0.44 1.04 -0.42 3.15 4.81 -1.88 -1.68 114.58 120.04 1r2r h GLU 219 Ca 0.12 -0.17 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 1r2r h GLU 219 Cb 0.28 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1r2r h GLU 219 CO -0.00 0.84 -0.03 -0.07 -0.73 0.00 0.00 179.01 179.02 1r2r h LEU 220 N 1.00 0.76 -1.59 1.64 3.38 -1.26 -2.95 115.31 116.29 1r2r h LEU 220 Ca 0.24 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1r2r h LEU 220 Cb 0.17 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1r2r h LEU 220 CO -0.02 0.90 0.00 0.00 0.09 0.00 0.00 178.44 179.40 1r2r h ALA 221 N 0.88 1.00 0.00 1.53 0.00 -0.75 -2.28 119.26 119.65 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 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1r2r h ALA 221 CO 0.03 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.94 1r2r h SER 222 N 0.00 0.00 -3.37 0.00 4.64 -1.12 -3.45 113.55 110.25 1r2r h SER 222 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 1r2r h SER 222 Cb 0.45 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.57 1r2r h SER 222 CO 0.00 0.00 0.64 -1.10 -0.87 0.00 0.00 176.83 175.50 1r2r s GLN 223 N -3.26 4.40 0.59 4.77 -1.52 -0.86 -4.92 119.66 118.87 1r2r s GLN 223 Ca 0.07 2.03 0.33 0.00 -1.95 0.00 0.00 55.36 55.84 1r2r s GLN 223 Cb 0.10 -3.21 1.88 0.00 -0.22 0.00 0.00 33.01 31.56 1r2r s GLN 223 CO 0.53 -0.25 2.23 -1.35 -0.25 0.00 0.00 175.29 176.20 1r2r h PRO 224 N 5.49 0.00 -0.22 2.91 0.11 -1.89 -2.62 132.00 135.77 1r2r h PRO 224 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 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 0.78 0.03 0.00 -0.25 -0.21 0.00 0.00 178.00 178.34 1r2r n ASP 225 N -3.55 2.56 -4.62 -2.05 8.00 -1.26 -4.90 116.55 110.72 1r2r n ASP 225 Ca -0.03 -1.80 -0.39 0.00 0.71 0.00 0.00 54.79 53.28 1r2r n ASP 225 Cb 0.13 -0.15 -0.08 0.00 -0.02 0.00 0.00 41.12 41.00 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 -0.97 5.15 -1.02 2.53 1.01 -0.99 -4.67 120.40 121.43 1r2r s VAL 226 Ca 0.19 0.68 0.14 0.00 0.00 0.00 0.00 61.98 63.00 1r2r s VAL 226 Cb 0.11 -3.74 0.44 0.00 0.00 0.00 0.00 36.38 33.19 1r2r s VAL 226 CO 0.15 0.15 1.37 0.47 0.00 0.00 0.00 175.10 177.24 1r2r n ASP 227 N 5.23 3.44 0.00 3.32 8.00 -0.30 -4.77 116.55 131.47 1r2r n ASP 227 Ca -0.07 -2.18 0.00 0.00 0.71 0.00 0.00 54.79 53.24 1r2r n ASP 227 Cb 0.50 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 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 0.64 0.73 3.01 0.44 0.00 -1.26 -1.45 105.19 107.30 1r2r n GLY 228 Ca 0.17 -1.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.86 0.17 -0.41 1.61 0.40 -0.41 -0.83 117.98 115.66 1r2r s PHE 229 Ca 0.00 -0.36 -0.05 0.00 -0.60 0.00 0.00 56.93 55.92 1r2r s PHE 229 Cb 0.00 -0.13 0.10 0.00 0.51 0.00 0.00 43.02 43.50 1r2r s PHE 229 CO 0.00 -0.21 0.21 -1.17 0.70 0.00 0.00 175.22 174.75 1r2r s LEU 230 N -1.33 5.14 -0.05 -0.37 2.96 -0.46 -0.65 118.68 123.92 1r2r s LEU 230 Ca -0.14 -1.84 -0.20 0.00 -0.22 0.00 0.00 54.13 51.73 1r2r s LEU 230 Cb -0.09 -1.87 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 1r2r s LEU 230 CO -0.00 -0.53 0.56 -0.69 -1.32 0.00 0.00 176.35 174.36 1r2r s VAL 231 N 1.23 5.04 0.00 1.68 1.01 0.18 -4.35 120.40 125.19 1r2r s VAL 231 Ca 0.05 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.18 1r2r s VAL 231 Cb -0.23 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1r2r s VAL 231 CO -0.02 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1r2r n GLY 232 N 2.79 1.03 0.35 4.51 0.00 -1.26 -0.14 105.19 112.47 1r2r n GLY 232 Ca -0.07 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 0.63 2.00 -0.02 0.00 -1.93 -0.71 103.07 103.04 1r2r h GLY 233 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1r2r h GLY 233 CO 0.00 0.13 0.00 0.00 0.00 0.00 0.00 176.54 176.67 1r2r h ALA 234 N 1.69 1.00 0.00 3.60 0.00 -1.90 -2.34 119.26 121.32 1r2r h ALA 234 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1r2r h ALA 234 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1r2r h ALA 234 CO -0.08 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.83 1r2r h SER 235 N 0.00 0.00 0.21 0.00 4.64 -1.38 -2.09 113.55 114.94 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 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1r2r h SER 235 CO 0.00 0.00 -0.10 0.18 -0.87 0.00 0.00 176.83 176.04 1r2r n LEU 236 N -2.95 0.74 -4.56 5.97 4.77 -0.88 -4.86 117.00 115.24 1r2r n LEU 236 Ca 0.00 -0.16 -0.24 0.00 -0.03 0.00 0.00 56.01 55.59 1r2r n LEU 236 Cb 0.25 -0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.14 1r2r n LEU 236 CO 0.24 0.13 -0.41 -0.54 -1.33 0.00 0.00 177.39 175.49 1r2r s LYS 237 N -2.32 1.99 0.54 3.23 1.02 -0.79 -4.97 119.74 118.44 1r2r s LYS 237 Ca 0.32 -1.56 0.26 0.00 0.02 0.00 0.00 55.97 55.02 1r2r s LYS 237 Cb 0.20 -1.98 1.43 0.00 -0.52 0.00 0.00 37.83 36.96 1r2r s LYS 237 CO 0.44 0.36 1.98 -1.35 -0.92 0.00 0.00 175.35 175.86 1r2r h PRO 238 N 2.19 0.00 0.00 -1.68 0.11 -1.92 -2.19 132.00 128.51 1r2r h PRO 238 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1r2r h PRO 238 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1r2r h PRO 238 CO 0.59 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.53 1r2r n GLU 239 N -4.27 0.16 -0.30 1.05 0.28 -1.26 -1.84 120.64 114.45 1r2r n GLU 239 Ca 0.10 0.49 0.19 0.00 -0.16 0.00 0.00 57.16 57.78 1r2r n GLU 239 Cb 0.63 -1.87 0.46 0.00 1.43 0.00 0.00 31.44 32.10 1r2r n GLU 239 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1r2r h PHE 240 N 0.00 0.72 -0.71 -1.84 3.57 -1.38 -0.36 116.94 116.95 1r2r h PHE 240 Ca 0.00 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.58 1r2r h PHE 240 Cb 0.23 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 38.70 1r2r h PHE 240 CO 0.00 0.13 0.42 0.28 -2.23 0.00 0.00 178.31 176.91 1r2r h VAL 241 N 0.49 1.01 -0.85 1.41 2.07 -1.60 -0.40 116.25 118.40 1r2r h VAL 241 Ca 0.55 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.80 1r2r h VAL 241 Cb 1.24 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1r2r h VAL 241 CO -0.28 0.14 0.52 0.44 0.02 0.00 0.00 177.57 178.42 1r2r h ASP 242 N 0.78 1.00 -0.57 0.57 3.32 -1.25 -2.18 116.42 118.09 1r2r h ASP 242 Ca 0.31 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.20 1r2r h ASP 242 Cb 0.14 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1r2r h ASP 242 CO -0.16 0.76 -0.05 0.40 -1.72 0.00 0.00 179.24 178.47 1r2r h ILE 243 N 1.16 1.27 -0.85 0.35 2.04 -0.75 -1.88 117.51 118.85 1r2r h ILE 243 Ca 0.31 -1.20 0.13 0.00 1.00 0.00 0.00 64.86 65.10 1r2r h ILE 243 Cb -0.07 0.89 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 1r2r h ILE 243 CO -0.06 0.43 0.55 0.40 0.00 0.00 0.00 178.15 179.47 1r2r h ILE 244 N 0.93 0.87 -0.46 -0.67 2.04 -0.65 -1.48 117.51 118.09 1r2r h ILE 244 Ca 0.16 -0.24 -0.12 0.00 1.00 0.00 0.00 64.86 65.66 1r2r h ILE 244 Cb 0.61 0.12 -0.07 0.00 -0.74 0.00 0.00 36.82 36.73 1r2r h ILE 244 CO 0.04 0.13 0.16 0.59 0.00 0.00 0.00 178.15 179.06 1r2r n ASN 245 N -4.54 3.80 0.29 1.72 3.02 -0.74 -4.63 115.26 114.19 1r2r n ASN 245 Ca 0.16 -2.75 0.17 0.00 -0.03 0.00 0.00 54.58 52.13 1r2r n ASN 245 Cb 0.42 -0.65 0.89 0.00 -0.61 0.00 0.00 39.78 39.83 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 2.55 1.15 -0.01 5.41 0.00 -0.95 -1.07 119.26 126.34 1r2r h ALA 246 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1r2r h ALA 246 Cb 1.72 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1r2r h ALA 246 CO 0.46 0.06 -0.26 1.63 0.00 0.00 0.00 179.25 181.13 1r2r n LYS 247 N -3.36 1.06 0.00 0.00 5.02 -1.26 -4.35 118.16 115.27 1r2r n LYS 247 Ca -0.02 -0.69 0.14 0.00 -2.02 0.00 0.00 58.31 55.72 1r2r n LYS 247 Cb 0.19 -1.49 0.86 0.00 -0.02 0.00 0.00 35.03 34.57 1r2r n LYS 247 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92