#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 0.00 -4.68 2.55 2.88 -1.26 -5.14 113.62 107.97 1r2r n SER 3 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1r2r n SER 3 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1r2r n SER 3 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1r2r s ARG 4 N -0.46 4.26 0.02 -1.46 0.52 -1.26 -4.93 118.95 115.64 1r2r s ARG 4 Ca 0.00 1.93 -0.30 0.00 -0.52 0.00 0.00 55.73 56.84 1r2r s ARG 4 Cb 0.00 -3.68 -0.06 0.00 0.52 0.00 0.00 34.95 31.73 1r2r s ARG 4 CO 0.00 -0.64 1.40 0.21 0.02 0.00 0.00 175.30 176.29 1r2r s LYS 5 N 2.89 4.29 0.24 3.54 2.20 -1.26 -4.95 119.74 126.69 1r2r s LYS 5 Ca 0.63 1.98 -0.31 0.00 -0.36 0.00 0.00 55.97 57.91 1r2r s LYS 5 Cb -0.29 -3.53 -0.13 0.00 -1.51 0.00 0.00 37.83 32.37 1r2r s LYS 5 CO 0.24 -0.56 1.56 0.34 -0.36 0.00 0.00 175.35 176.58 1r2r n PHE 6 N 5.18 2.56 -4.03 4.03 7.35 -1.09 -4.84 117.46 126.62 1r2r n PHE 6 Ca 0.13 0.27 -0.28 0.00 -0.76 0.00 0.00 57.45 56.81 1r2r n PHE 6 Cb 0.43 -2.56 -0.17 0.00 0.35 0.00 0.00 39.48 37.53 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 0.32 1.78 -0.20 -5.13 5.36 -0.60 -0.43 117.98 119.07 1r2r s PHE 7 Ca 0.69 -0.93 0.01 0.00 -0.96 0.00 0.00 56.93 55.75 1r2r s PHE 7 Cb -0.57 -1.38 0.04 0.00 -0.34 0.00 0.00 43.02 40.78 1r2r s PHE 7 CO 0.44 -0.56 -0.10 0.08 -1.46 0.00 0.00 175.22 173.62 1r2r s VAL 8 N 1.52 1.65 -0.06 3.12 1.01 0.46 -1.36 120.40 126.74 1r2r s VAL 8 Ca 0.03 -1.03 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 1r2r s VAL 8 Cb -0.13 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1r2r s VAL 8 CO -0.08 0.16 0.02 -0.83 0.00 0.00 0.00 175.10 174.37 1r2r s GLY 9 N 1.39 1.90 -0.27 4.51 0.00 0.24 -1.37 107.32 113.72 1r2r s GLY 9 Ca -0.02 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 43.88 1r2r s GLY 9 CO -0.08 -0.64 -0.07 -0.32 0.00 0.00 0.00 173.10 171.98 1r2r s GLY 10 N -1.18 1.69 -0.52 0.20 0.00 0.80 -0.67 107.32 107.63 1r2r s GLY 10 Ca 0.16 -1.75 -0.19 0.00 0.00 0.00 0.00 44.72 42.95 1r2r s GLY 10 CO 0.06 0.63 0.62 0.21 0.00 0.00 0.00 173.10 174.62 1r2r s ASN 11 N 1.16 6.21 0.08 1.64 2.47 0.62 -0.45 114.94 126.66 1r2r s ASN 11 Ca -0.07 -1.09 0.20 0.00 0.42 0.00 0.00 52.86 52.32 1r2r s ASN 11 Cb -0.20 -2.28 0.84 0.00 -1.45 0.00 0.00 41.25 38.16 1r2r s ASN 11 CO -0.04 -0.92 1.64 0.79 -3.72 0.00 0.00 177.10 174.85 1r2r n TRP 12 N 6.09 0.27 -2.86 0.43 8.01 -0.77 -4.46 117.44 124.16 1r2r n TRP 12 Ca -0.08 0.10 0.00 0.00 -1.31 0.00 0.00 57.50 56.21 1r2r n TRP 12 Cb 0.44 -0.66 0.00 0.00 -2.01 0.00 0.00 31.31 29.08 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 -1.74 0.00 -2.71 -0.99 5.02 -1.26 -3.19 118.16 113.29 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 0.24 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.26 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 8.35 4.40 -3.94 1.97 1.56 -1.26 -3.92 117.12 124.28 1r2r n MET 14 Ca 0.00 -4.22 -0.11 0.00 -0.27 0.00 0.00 57.70 53.09 1r2r n MET 14 Cb 0.00 -2.62 -0.13 0.00 2.15 0.00 0.00 33.22 32.62 1r2r n MET 14 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1r2r s ASN 15 N -0.90 0.17 0.00 6.12 0.01 -1.19 -5.12 114.94 114.03 1r2r s ASN 15 Ca 0.36 -0.21 0.00 0.00 -0.71 0.00 0.00 52.86 52.30 1r2r s ASN 15 Cb 0.09 0.03 0.00 0.00 0.41 0.00 0.00 41.25 41.78 1r2r s ASN 15 CO 0.04 -0.11 0.00 0.61 -1.51 0.00 0.00 177.10 176.13 1r2r n GLY 16 N 2.48 2.46 3.35 0.66 0.00 -1.26 -4.71 105.19 108.16 1r2r n GLY 16 Ca -0.17 -1.92 -0.19 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.97 1.58 0.28 1.61 1.81 -1.26 -4.98 118.95 115.02 1r2r s ARG 17 Ca 0.00 -1.90 0.01 0.00 -1.72 0.00 0.00 55.73 52.12 1r2r s ARG 17 Cb 0.00 -0.20 0.55 0.00 -0.45 0.00 0.00 34.95 34.85 1r2r s ARG 17 CO 0.00 -0.41 1.83 0.87 -0.68 0.00 0.00 175.30 176.91 1r2r h LYS 18 N 2.21 0.95 0.52 3.54 1.57 -1.99 -0.67 116.57 122.70 1r2r h LYS 18 Ca -0.35 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.35 1r2r h LYS 18 Cb 1.25 -0.21 0.01 0.00 0.08 0.00 0.00 32.23 33.35 1r2r h LYS 18 CO 0.55 0.63 -0.25 -0.22 -0.57 0.00 0.00 179.45 179.59 1r2r h LYS 19 N 0.98 -0.67 0.00 3.15 3.64 -1.98 0.06 116.57 121.76 1r2r h LYS 19 Ca 0.50 0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.83 1r2r h LYS 19 Cb 0.50 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1r2r h LYS 19 CO -0.27 -0.37 -0.44 -2.95 -2.27 0.00 0.00 179.45 173.15 1r2r h ASN 20 N -1.04 0.00 0.47 4.20 7.08 -1.96 -2.04 115.58 122.29 1r2r h ASN 20 Ca -0.07 0.00 -0.20 0.00 -3.08 0.00 0.00 56.30 52.95 1r2r h ASN 20 Cb 0.61 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.85 1r2r h ASN 20 CO 0.12 0.44 -0.84 -0.07 -2.08 0.00 0.00 177.43 174.99 1r2r h LEU 21 N 0.00 0.34 -1.27 6.14 3.38 -1.18 -2.00 115.31 120.73 1r2r h LEU 21 Ca -0.00 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1r2r h LEU 21 Cb 1.05 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 1r2r h LEU 21 CO 0.06 1.04 0.24 1.23 0.09 0.00 0.00 178.44 181.10 1r2r h GLY 22 N 1.61 0.80 1.13 0.83 0.00 -0.74 0.23 103.07 106.94 1r2r h GLY 22 Ca -0.05 -0.37 -0.20 0.00 0.00 0.00 0.00 47.33 46.71 1r2r h GLY 22 CO 0.13 0.36 -0.66 0.83 0.00 0.00 0.00 176.54 177.20 1r2r h GLU 23 N 0.75 0.80 -0.42 4.80 5.08 -1.23 -1.91 114.58 122.45 1r2r h GLU 23 Ca 0.18 -0.60 0.05 0.00 -1.00 0.00 0.00 59.36 58.00 1r2r h GLU 23 Cb 0.10 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1r2r h GLU 23 CO -0.02 1.21 0.16 1.25 -1.00 0.00 0.00 179.01 180.61 1r2r h LEU 24 N 0.55 0.18 -0.71 1.33 5.85 -1.04 -2.80 115.31 118.67 1r2r h LEU 24 Ca -0.03 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 1r2r h LEU 24 Cb 1.29 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 1r2r h LEU 24 CO 0.14 0.14 -0.08 0.40 -0.34 0.00 0.00 178.44 178.70 1r2r h ILE 25 N 0.33 1.26 -0.87 4.05 2.04 -0.81 -1.97 117.51 121.55 1r2r h ILE 25 Ca 0.19 -1.19 0.06 0.00 1.00 0.00 0.00 64.86 64.92 1r2r h ILE 25 Cb 0.17 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.14 1r2r h ILE 25 CO -0.19 0.42 0.54 0.74 0.00 0.00 0.00 178.15 179.67 1r2r h THR 26 N 0.83 1.06 -0.57 -0.27 2.02 -1.23 0.60 112.91 115.35 1r2r h THR 26 Ca 0.14 -0.35 -0.10 0.00 0.77 0.00 0.00 66.41 66.87 1r2r h THR 26 Cb 0.60 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 1r2r h THR 26 CO 0.04 0.18 -0.03 0.74 0.37 0.00 0.00 175.52 176.82 1r2r h THR 27 N 1.01 1.27 -0.39 3.16 2.02 -1.18 -2.47 112.91 116.32 1r2r h THR 27 Ca 0.37 -1.18 -0.15 0.00 0.77 0.00 0.00 66.41 66.22 1r2r h THR 27 Cb 0.14 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1r2r h THR 27 CO -0.16 0.42 -0.35 -0.07 0.37 0.00 0.00 175.52 175.73 1r2r h LEU 28 N 0.92 0.97 -1.32 2.58 3.38 -0.89 -2.89 115.31 118.05 1r2r h LEU 28 Ca 0.16 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 57.74 1r2r h LEU 28 Cb 0.59 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1r2r h LEU 28 CO 0.04 1.21 0.49 0.78 0.09 0.00 0.00 178.44 181.05 1r2r h ASN 29 N 0.76 0.75 1.43 -0.43 2.35 -0.78 -2.13 115.58 117.53 1r2r h ASN 29 Ca 0.07 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1r2r h ASN 29 Cb 0.93 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.13 1r2r h ASN 29 CO 0.09 0.51 -0.07 0.00 -1.65 0.00 0.00 177.43 176.31 1r2r n ALA 30 N -2.43 2.35 -1.78 -0.83 0.00 -0.94 -4.85 120.51 112.02 1r2r n ALA 30 Ca 0.10 -0.04 -0.37 0.00 0.00 0.00 0.00 53.44 53.13 1r2r n ALA 30 Cb 0.15 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.12 1r2r n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r2r s ALA 31 N -3.11 3.09 -0.31 0.00 0.00 -0.80 -5.01 121.76 115.61 1r2r s ALA 31 Ca 0.10 0.73 -0.21 0.00 0.00 0.00 0.00 51.96 52.58 1r2r s ALA 31 Cb 0.12 -3.29 -0.00 0.00 0.00 0.00 0.00 23.12 19.95 1r2r s ALA 31 CO 0.61 -0.26 0.69 0.21 0.00 0.00 0.00 175.76 177.01 1r2r s LYS 32 N -2.48 3.92 -0.24 0.00 2.20 -1.26 -5.02 119.74 116.85 1r2r s LYS 32 Ca 0.58 0.40 -0.29 0.00 -0.36 0.00 0.00 55.97 56.30 1r2r s LYS 32 Cb -0.23 -3.73 0.01 0.00 -1.51 0.00 0.00 37.83 32.37 1r2r s LYS 32 CO 0.29 -0.62 1.02 0.08 -0.36 0.00 0.00 175.35 175.76 1r2r s VAL 33 N 2.74 4.68 0.96 4.02 1.01 -1.26 -5.02 120.40 127.53 1r2r s VAL 33 Ca 0.28 1.95 -0.11 0.00 0.00 0.00 0.00 61.98 64.09 1r2r s VAL 33 Cb -0.15 -4.30 0.17 0.00 0.00 0.00 0.00 36.38 32.10 1r2r s VAL 33 CO 0.12 -0.20 1.10 -2.16 0.00 0.00 0.00 175.10 173.95 1r2r s PRO 34 N 3.21 0.71 0.64 2.72 0.04 -1.26 -4.97 135.00 136.09 1r2r s PRO 34 Ca 0.43 1.15 -0.18 0.00 0.04 0.00 0.00 61.00 62.44 1r2r s PRO 34 Cb -0.15 -1.72 -0.01 0.00 0.04 0.00 0.00 34.50 32.66 1r2r s PRO 34 CO 0.07 -2.72 1.29 0.00 0.04 0.00 0.00 177.00 175.68 1r2r s ALA 35 N -2.70 2.40 -1.42 8.56 0.00 -1.26 -3.35 121.76 123.98 1r2r s ALA 35 Ca 0.66 1.20 -0.11 0.00 0.00 0.00 0.00 51.96 53.71 1r2r s ALA 35 Cb -0.22 -3.55 0.04 0.00 0.00 0.00 0.00 23.12 19.40 1r2r s ALA 35 CO 0.59 -1.56 1.10 -3.47 0.00 0.00 0.00 175.76 172.43 1r2r n ASP 36 N -1.87 -5.66 -3.84 0.00 2.03 -1.26 -4.98 116.55 100.97 1r2r n ASP 36 Ca 0.16 -0.64 -0.19 0.00 0.52 0.00 0.00 54.79 54.64 1r2r n ASP 36 Cb 0.48 -4.58 -0.16 0.00 -0.72 0.00 0.00 41.12 36.13 1r2r n ASP 36 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1r2r s THR 37 N -3.32 0.36 -0.20 5.18 2.01 -1.21 -2.69 115.64 115.77 1r2r s THR 37 Ca 0.60 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 62.59 1r2r s THR 37 Cb -0.28 -0.43 0.00 0.00 0.01 0.00 0.00 72.50 71.80 1r2r s THR 37 CO 0.77 0.19 -0.11 -0.70 -0.69 0.00 0.00 174.62 174.09 1r2r s GLU 38 N 1.09 3.24 -0.08 4.92 2.12 0.42 -4.89 118.70 125.53 1r2r s GLU 38 Ca -0.09 -0.70 0.04 0.00 0.36 0.00 0.00 54.97 54.58 1r2r s GLU 38 Cb -0.14 -2.82 -0.02 0.00 0.26 0.00 0.00 34.13 31.42 1r2r s GLU 38 CO -0.01 -0.17 -0.18 0.08 -0.54 0.00 0.00 175.26 174.43 1r2r s VAL 39 N 1.32 2.63 -0.02 3.70 1.01 -1.26 -0.40 120.40 127.38 1r2r s VAL 39 Ca 0.04 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.18 1r2r s VAL 39 Cb -0.14 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.23 1r2r s VAL 39 CO -0.06 0.56 -0.01 -0.69 0.00 0.00 0.00 175.10 174.90 1r2r s VAL 40 N -0.17 0.19 -0.04 2.92 1.01 -0.47 -1.45 120.40 122.38 1r2r s VAL 40 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.02 1r2r s VAL 40 Cb -0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 1r2r s VAL 40 CO 0.03 0.11 -0.22 0.00 0.00 0.00 0.00 175.10 175.02 1r2r s ALA 42 N -0.46 3.28 0.75 0.00 0.00 0.40 -0.77 121.76 124.97 1r2r s ALA 42 Ca 0.05 -2.97 -0.12 0.00 0.00 0.00 0.00 51.96 48.93 1r2r s ALA 42 Cb -0.12 -2.33 0.04 0.00 0.00 0.00 0.00 23.12 20.71 1r2r s ALA 42 CO 0.01 -1.93 1.12 -1.25 0.00 0.00 0.00 175.76 173.70 1r2r s PRO 43 N 0.32 2.46 0.63 0.00 0.04 -1.24 -1.85 135.00 135.36 1r2r s PRO 43 Ca 0.14 0.41 -0.18 0.00 0.04 0.00 0.00 61.00 61.41 1r2r s PRO 43 Cb -0.22 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 1r2r s PRO 43 CO -0.03 -1.31 1.06 -2.30 0.04 0.00 0.00 177.00 174.46 1r2r n PRO 44 N -3.18 0.91 0.07 0.56 -0.02 -1.25 -4.39 135.00 127.70 1r2r n PRO 44 Ca 0.07 0.36 0.04 0.00 -2.02 0.00 0.00 63.50 61.95 1r2r n PRO 44 Cb 0.58 -2.28 0.45 0.00 -0.02 0.00 0.00 33.50 32.22 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 0.41 1.11 0.00 3.45 2.02 -1.95 0.11 112.91 118.06 1r2r h THR 45 Ca -0.49 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.36 1r2r h THR 45 Cb 1.36 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 1r2r h THR 45 CO 0.51 0.13 0.00 0.00 0.37 0.00 0.00 175.52 176.53 1r2r h ALA 46 N 1.75 1.00 -0.16 6.16 0.00 -2.02 -3.05 119.26 122.94 1r2r h ALA 46 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1r2r h ALA 46 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1r2r h ALA 46 CO -0.01 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.90 1r2r n TYR 47 N -2.49 0.34 0.01 0.00 4.01 0.38 -4.72 117.16 114.70 1r2r n TYR 47 Ca 0.00 -0.68 -0.10 0.00 -0.16 0.00 0.00 57.90 56.97 1r2r n TYR 47 Cb 0.18 -0.12 -0.04 0.00 -0.31 0.00 0.00 39.34 39.05 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 1.00 0.70 0.29 -0.72 2.04 -1.40 -0.20 117.51 119.22 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 0.87 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1r2r h ILE 48 CO 0.05 0.00 -0.14 -0.78 0.00 0.00 0.00 178.15 177.28 1r2r h ASP 49 N -0.14 -0.33 -0.45 1.72 3.58 -1.84 -0.90 116.42 118.05 1r2r h ASP 49 Ca 0.07 -0.01 0.07 0.00 0.42 0.00 0.00 57.03 57.58 1r2r h ASP 49 Cb 0.25 0.09 -0.06 0.00 1.72 0.00 0.00 39.33 41.32 1r2r h ASP 49 CO -0.18 -0.21 0.08 0.15 -2.88 0.00 0.00 179.24 176.20 1r2r h PHE 50 N -0.43 0.12 -0.43 0.28 3.57 -1.84 -0.96 116.94 117.25 1r2r h PHE 50 Ca -0.04 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 1r2r h PHE 50 Cb 0.33 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1r2r h PHE 50 CO -0.05 -0.01 -0.12 0.00 -2.23 0.00 0.00 178.31 175.90 1r2r h ALA 51 N 1.35 0.60 -0.69 2.41 0.00 -0.91 -2.07 119.26 119.96 1r2r h ALA 51 Ca 0.22 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1r2r h ALA 51 Cb 0.29 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1r2r h ALA 51 CO -0.30 0.50 0.39 -0.09 0.00 0.00 0.00 179.25 179.75 1r2r h ARG 52 N 0.67 0.94 -0.23 0.00 9.65 -0.73 0.88 114.38 125.57 1r2r h ARG 52 Ca 0.11 -0.09 -0.10 0.00 -1.10 0.00 0.00 59.98 58.80 1r2r h ARG 52 Cb 0.67 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 29.04 1r2r h ARG 52 CO 0.05 0.68 -0.28 1.96 2.80 0.00 0.00 179.97 185.17 1r2r h GLN 53 N 0.95 0.44 0.00 0.20 4.20 -0.92 -3.31 115.11 116.67 1r2r h GLN 53 Ca 0.25 -0.17 -0.31 0.00 0.06 0.00 0.00 58.65 58.48 1r2r h GLN 53 Cb -0.00 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.70 1r2r h GLN 53 CO -0.04 0.68 -1.82 1.63 -0.67 0.00 0.00 178.83 178.61 1r2r n LYS 54 N -4.11 0.64 -2.59 1.46 4.76 -0.80 -4.93 118.16 112.59 1r2r n LYS 54 Ca -0.01 0.25 -0.37 0.00 -2.87 0.00 0.00 58.31 55.32 1r2r n LYS 54 Cb 0.42 -1.75 -0.05 0.00 -1.84 0.00 0.00 35.03 31.81 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 -6.00 4.18 0.44 -0.35 1.43 0.25 -4.92 118.68 113.70 1r2r s LEU 55 Ca -0.06 2.00 -0.25 0.00 -1.03 0.00 0.00 54.13 54.79 1r2r s LEU 55 Cb 0.08 -4.15 -0.08 0.00 0.03 0.00 0.00 46.19 42.06 1r2r s LEU 55 CO 0.82 -0.41 1.36 -0.62 0.23 0.00 0.00 176.35 177.73 1r2r s ASP 56 N -1.57 5.98 0.52 2.29 -1.08 -1.26 -4.91 116.67 116.65 1r2r s ASP 56 Ca 0.56 2.77 0.35 0.00 -0.52 0.00 0.00 52.55 55.71 1r2r s ASP 56 Cb -0.21 -2.64 1.89 0.00 -1.46 0.00 0.00 42.92 40.49 1r2r s ASP 56 CO 0.27 -1.09 2.06 -0.65 0.52 0.00 0.00 175.17 176.28 1r2r h PRO 57 N 2.34 0.00 -0.10 4.34 0.11 -1.95 -1.89 132.00 134.85 1r2r h PRO 57 Ca -0.50 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.64 1r2r h PRO 57 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1r2r h PRO 57 CO 0.61 0.00 0.09 1.57 -0.21 0.00 0.00 178.00 180.06 1r2r h LYS 58 N 0.00 0.00 -5.06 1.05 2.10 -1.97 -3.39 116.57 109.30 1r2r h LYS 58 Ca 0.00 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 58.02 1r2r h LYS 58 Cb 0.02 0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 31.20 1r2r h LYS 58 CO 0.00 0.00 -0.53 0.42 -2.00 0.00 0.00 179.45 177.34 1r2r s ILE 59 N -4.89 5.18 0.51 0.07 1.01 -0.71 -4.56 121.20 117.81 1r2r s ILE 59 Ca -0.05 0.12 -0.13 0.00 0.00 0.00 0.00 60.65 60.59 1r2r s ILE 59 Cb 0.17 -3.42 -0.06 0.00 0.01 0.00 0.00 42.46 39.16 1r2r s ILE 59 CO 0.63 0.34 0.93 0.00 0.00 0.00 0.00 174.94 176.84 1r2r s ALA 60 N 1.16 3.17 -0.10 9.38 0.00 -0.53 -4.78 121.76 130.06 1r2r s ALA 60 Ca 0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 51.96 51.99 1r2r s ALA 60 Cb -0.14 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 1r2r s ALA 60 CO 0.05 -0.29 -0.07 0.08 0.00 0.00 0.00 175.76 175.53 1r2r s VAL 61 N -2.70 3.69 0.05 0.00 1.01 -1.26 -0.88 120.40 120.31 1r2r s VAL 61 Ca 0.55 -0.47 0.08 0.00 0.00 0.00 0.00 61.98 62.15 1r2r s VAL 61 Cb -0.10 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 1r2r s VAL 61 CO 0.38 0.57 -0.22 0.00 0.00 0.00 0.00 175.10 175.82 1r2r s ALA 62 N -0.41 2.43 0.52 5.51 0.00 0.05 -1.55 121.76 128.31 1r2r s ALA 62 Ca 0.06 -1.25 -0.17 0.00 0.00 0.00 0.00 51.96 50.60 1r2r s ALA 62 Cb -0.12 -0.60 -0.07 0.00 0.00 0.00 0.00 23.12 22.33 1r2r s ALA 62 CO 0.02 0.55 1.00 0.00 0.00 0.00 0.00 175.76 177.34 1r2r s ALA 63 N -0.88 2.97 -1.30 0.00 0.00 -0.43 -3.67 121.76 118.44 1r2r s ALA 63 Ca 0.13 0.28 0.28 0.00 0.00 0.00 0.00 51.96 52.65 1r2r s ALA 63 Cb -0.10 -3.16 0.99 0.00 0.00 0.00 0.00 23.12 20.85 1r2r s ALA 63 CO 0.04 -0.35 1.73 1.04 0.00 0.00 0.00 175.76 178.22 1r2r n GLN 64 N -1.56 0.32 -3.62 0.00 6.02 -1.26 -0.88 117.38 116.39 1r2r n GLN 64 Ca 0.07 -0.12 -0.01 0.00 -0.01 0.00 0.00 57.00 56.93 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 -2.77 -0.02 0.34 1.08 2.47 -1.21 -4.55 114.94 110.28 1r2r s ASN 65 Ca 0.20 -0.01 -0.13 0.00 0.42 0.00 0.00 52.86 53.34 1r2r s ASN 65 Cb 0.19 0.02 0.03 0.00 -1.45 0.00 0.00 41.25 40.04 1r2r s ASN 65 CO 0.56 -0.04 0.66 0.00 -3.72 0.00 0.00 177.10 174.56 1r2r n TYR 67 N -0.51 -1.54 -0.06 0.00 9.36 0.17 -4.95 117.16 119.63 1r2r n TYR 67 Ca -0.04 -1.04 0.06 0.00 3.32 0.00 0.00 57.90 60.20 1r2r n TYR 67 Cb 0.60 -0.22 0.14 0.00 -0.63 0.00 0.00 39.34 39.23 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 -1.23 2.45 -4.25 2.98 2.85 -1.26 -4.55 118.16 115.15 1r2r n LYS 68 Ca 0.01 -1.90 -0.14 0.00 -1.05 0.00 0.00 58.31 55.24 1r2r n LYS 68 Cb 0.28 -1.26 -0.10 0.00 -0.65 0.00 0.00 35.03 33.30 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 -0.99 0.59 0.09 0.58 -7.23 -1.26 -4.81 120.40 107.36 1r2r s VAL 69 Ca 0.22 -1.98 -0.06 0.00 -1.81 0.00 0.00 61.98 58.35 1r2r s VAL 69 Cb 0.12 -2.22 -0.26 0.00 0.56 0.00 0.00 36.38 34.57 1r2r s VAL 69 CO 0.16 -0.37 1.17 0.00 -0.31 0.00 0.00 175.10 175.75 1r2r h THR 70 N 2.65 1.45 -3.33 5.32 1.03 -1.99 -3.43 112.91 114.60 1r2r h THR 70 Ca -0.37 -2.84 -0.09 0.00 -0.01 0.00 0.00 66.41 63.10 1r2r h THR 70 Cb 1.21 2.81 -0.16 0.00 -1.07 0.00 0.00 68.15 70.94 1r2r h THR 70 CO 0.62 0.84 -0.22 0.20 -0.01 0.00 0.00 175.52 176.94 1r2r s ASN 71 N -7.18 -0.13 0.00 0.00 0.01 -1.26 -4.71 114.94 101.67 1r2r s ASN 71 Ca -0.05 -0.23 0.00 0.00 -0.71 0.00 0.00 52.86 51.87 1r2r s ASN 71 Cb 0.07 0.38 0.00 0.00 0.41 0.00 0.00 41.25 42.11 1r2r s ASN 71 CO 0.89 -0.66 0.00 0.61 -1.51 0.00 0.00 177.10 176.43 1r2r n GLY 72 N 0.42 -1.50 2.87 0.66 0.00 -1.26 -5.03 105.19 101.34 1r2r n GLY 72 Ca -0.18 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 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 5.34 -3.24 4.61 0.00 -1.26 -4.71 120.51 121.25 1r2r n ALA 73 Ca 0.00 -4.23 -0.24 0.00 0.00 0.00 0.00 53.44 48.97 1r2r n ALA 73 Cb 0.00 -3.10 -0.07 0.00 0.00 0.00 0.00 19.45 16.29 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 4.39 0.62 -1.63 0.00 3.72 -1.26 -5.10 117.46 118.19 1r2r n PHE 74 Ca 0.42 -3.71 -0.51 0.00 -0.05 0.00 0.00 57.45 53.60 1r2r n PHE 74 Cb 0.37 -0.40 -0.06 0.00 -0.94 0.00 0.00 39.48 38.45 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 1.20 0.08 -0.14 4.37 -1.04 -1.26 -1.61 114.28 115.88 1r2r n THR 75 Ca 0.23 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 1r2r n THR 75 Cb 0.51 -1.14 0.00 0.00 -1.82 0.00 0.00 70.33 67.88 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 3.11 0.88 3.89 3.41 0.00 -1.26 -5.06 105.19 110.16 1r2r n GLY 76 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.66 2.97 0.13 1.61 0.41 -0.64 -5.14 118.70 117.39 1r2r s GLU 77 Ca 0.00 -1.09 0.06 0.00 -0.41 0.00 0.00 54.97 53.53 1r2r s GLU 77 Cb 0.00 -2.63 -0.04 0.00 -1.78 0.00 0.00 34.13 29.68 1r2r s GLU 77 CO 0.00 0.22 -0.14 0.96 -0.49 0.00 0.00 175.26 175.81 1r2r s ILE 78 N -2.18 1.39 0.25 -1.63 -4.36 -1.26 -5.02 121.20 108.39 1r2r s ILE 78 Ca 0.39 -1.78 0.07 0.00 -0.26 0.00 0.00 60.65 59.07 1r2r s ILE 78 Cb -0.08 -1.60 -0.04 0.00 1.25 0.00 0.00 42.46 41.99 1r2r s ILE 78 CO 0.27 -0.43 0.18 -0.94 0.24 0.00 0.00 174.94 174.26 1r2r s SER 79 N -2.55 5.44 0.40 4.36 1.04 -1.26 -0.66 113.70 120.48 1r2r s SER 79 Ca 0.11 -0.28 0.17 0.00 0.48 0.00 0.00 55.95 56.42 1r2r s SER 79 Cb -0.04 -1.36 1.06 0.00 0.10 0.00 0.00 66.02 65.78 1r2r s SER 79 CO 0.03 -0.03 1.82 -0.65 0.98 0.00 0.00 173.24 175.39 1r2r h PRO 80 N 1.52 0.42 -0.81 4.02 0.11 -1.83 -1.31 132.00 134.12 1r2r h PRO 80 Ca -0.48 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.63 1r2r h PRO 80 Cb 1.24 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 1r2r h PRO 80 CO 0.61 0.28 0.53 0.78 -0.21 0.00 0.00 178.00 179.98 1r2r h GLY 81 N 0.43 1.17 1.23 -0.55 0.00 -1.92 -0.24 103.07 103.20 1r2r h GLY 81 Ca 0.52 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 47.34 1r2r h GLY 81 CO -0.23 0.36 -0.14 -0.33 0.00 0.00 0.00 176.54 176.20 1r2r h MET 82 N 1.04 0.90 -0.20 4.80 2.86 -1.58 -1.20 114.93 121.55 1r2r h MET 82 Ca 0.32 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1r2r h MET 82 Cb -0.02 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 1r2r h MET 82 CO -0.10 0.98 0.10 0.82 1.06 0.00 0.00 176.91 179.77 1r2r h ILE 83 N 0.80 1.13 -0.83 -1.22 2.04 -0.74 -1.44 117.51 117.24 1r2r h ILE 83 Ca 0.12 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1r2r h ILE 83 Cb 0.67 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 1r2r h ILE 83 CO 0.05 0.12 0.48 0.11 0.00 0.00 0.00 178.15 178.91 1r2r h LYS 84 N 0.19 1.14 0.00 2.37 1.57 -1.02 -2.31 116.57 118.52 1r2r h LYS 84 Ca 0.07 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1r2r h LYS 84 Cb 0.10 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1r2r h LYS 84 CO -0.01 0.82 -0.19 0.22 -0.57 0.00 0.00 179.45 179.72 1r2r h ASP 85 N 1.15 0.00 -0.05 0.86 3.58 -0.63 -0.53 116.42 120.79 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 0.19 0.00 0.00 -2.88 0.00 0.00 179.24 176.50 1r2r n GLY 87 N 1.02 0.74 3.81 0.00 0.00 -0.21 -4.60 105.19 105.95 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 -2.93 3.07 0.00 4.61 0.00 -0.91 -4.76 121.76 120.84 1r2r s ALA 88 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1r2r s ALA 88 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1r2r s ALA 88 CO 0.00 0.13 0.40 0.25 0.00 0.00 0.00 175.76 176.54 1r2r n THR 89 N -0.43 0.07 -4.24 0.00 -2.24 -0.59 -3.81 114.28 103.03 1r2r n THR 89 Ca 0.06 -0.38 -0.15 0.00 -2.27 0.00 0.00 64.05 61.31 1r2r n THR 89 Cb 0.53 1.24 -0.10 0.00 -2.10 0.00 0.00 70.33 69.90 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 -0.07 1.27 -0.01 4.78 0.52 -1.12 -1.17 118.94 123.14 1r2r s TRP 90 Ca 0.00 -0.71 0.01 0.00 0.02 0.00 0.00 56.10 55.41 1r2r s TRP 90 Cb 0.00 -0.65 0.00 0.00 -1.15 0.00 0.00 33.47 31.67 1r2r s TRP 90 CO 0.00 0.09 -0.02 0.54 0.02 0.00 0.00 176.95 177.58 1r2r s VAL 91 N -3.06 0.18 -0.15 4.03 0.11 -0.05 -1.32 120.40 120.14 1r2r s VAL 91 Ca 0.14 -0.08 -0.23 0.00 -2.93 0.00 0.00 61.98 58.89 1r2r s VAL 91 Cb 0.01 -0.18 -0.02 0.00 -1.53 0.00 0.00 36.38 34.66 1r2r s VAL 91 CO 0.01 0.06 0.72 -0.69 -3.33 0.00 0.00 175.10 171.87 1r2r s VAL 92 N 0.09 4.98 0.04 2.04 1.01 -0.06 -0.96 120.40 127.53 1r2r s VAL 92 Ca -0.01 1.40 0.05 0.00 0.00 0.00 0.00 61.98 63.43 1r2r s VAL 92 Cb -0.03 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 1r2r s VAL 92 CO -0.00 0.12 -0.15 -0.76 0.00 0.00 0.00 175.10 174.31 1r2r s LEU 93 N 1.69 2.16 -0.54 3.92 1.43 0.04 -3.33 118.68 124.04 1r2r s LEU 93 Ca 0.34 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1r2r s LEU 93 Cb -0.17 -0.66 0.00 0.00 0.03 0.00 0.00 46.19 45.39 1r2r s LEU 93 CO 0.13 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.38 1r2r n GLY 94 N 1.97 0.75 3.58 -3.19 0.00 -1.26 -1.23 105.19 105.80 1r2r n GLY 94 Ca -0.18 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.73 0.83 -0.31 1.61 -0.00 -1.26 -4.42 115.22 108.94 1r2r n HIS 95 Ca -0.05 0.56 0.15 0.00 0.46 0.00 0.00 57.72 58.83 1r2r n HIS 95 Cb 0.23 -2.17 0.33 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 1.30 0.24 -0.35 0.26 0.87 -1.92 0.89 113.55 114.84 1r2r h SER 96 Ca -0.44 0.18 -0.09 0.00 -1.23 0.00 0.00 61.79 60.20 1r2r h SER 96 Cb 1.35 0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 63.48 1r2r h SER 96 CO 0.55 -0.08 -0.11 -0.33 -0.53 0.00 0.00 176.83 176.33 1r2r h GLU 97 N 0.31 0.79 -0.61 2.24 5.08 -1.97 0.89 114.58 121.31 1r2r h GLU 97 Ca 0.59 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 1r2r h GLU 97 Cb 1.18 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 1r2r h GLU 97 CO -0.59 0.86 0.29 0.00 -1.00 0.00 0.00 179.01 178.57 1r2r h ARG 98 N 0.71 0.88 -0.18 2.33 2.47 -1.19 -0.79 114.38 118.61 1r2r h ARG 98 Ca 0.12 -0.13 -0.04 0.00 -1.26 0.00 0.00 59.98 58.67 1r2r h ARG 98 Cb 0.59 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.75 1r2r h ARG 98 CO 0.04 0.72 -0.04 0.00 0.56 0.00 0.00 179.97 181.24 1r2r h ARG 99 N 0.84 0.34 0.00 0.04 3.08 -0.95 -1.11 114.38 116.62 1r2r h ARG 99 Ca 0.21 -0.13 -0.19 0.00 0.07 0.00 0.00 59.98 59.94 1r2r h ARG 99 Cb 0.13 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 1r2r h ARG 99 CO -0.03 0.60 -1.94 0.72 -1.07 0.00 0.00 179.97 178.26 1r2r n HIS 100 N -4.66 0.00 0.00 3.04 8.25 0.28 -1.95 115.22 120.18 1r2r n HIS 100 Ca -0.05 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.19 1r2r n HIS 100 Cb 0.27 -0.63 -0.14 0.00 1.12 0.00 0.00 29.99 30.61 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 0.89 -0.01 1.59 2.07 -1.30 -3.41 116.25 116.08 1r2r h VAL 101 Ca -0.28 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 64.87 1r2r h VAL 101 Cb 1.56 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.93 1r2r h VAL 101 CO 0.02 0.73 -0.51 0.49 0.02 0.00 0.00 177.57 178.31 1r2r n PHE 102 N -3.83 0.00 -1.49 1.57 3.72 -0.91 -5.01 117.46 111.52 1r2r n PHE 102 Ca -0.28 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.04 1r2r n PHE 102 Cb 0.94 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.45 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 1.34 0.74 3.71 1.37 0.00 -0.77 -4.95 105.19 106.63 1r2r n GLY 103 Ca 0.07 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 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 -3.16 4.21 0.59 1.61 2.02 -0.49 -4.97 118.70 118.51 1r2r s GLU 104 Ca 0.00 2.35 -0.15 0.00 0.02 0.00 0.00 54.97 57.20 1r2r s GLU 104 Cb 0.00 -3.27 -0.04 0.00 0.10 0.00 0.00 34.13 30.92 1r2r s GLU 104 CO 0.00 -0.64 1.03 -1.54 0.02 0.00 0.00 175.26 174.13 1r2r s SER 105 N 1.47 6.03 0.26 -0.19 1.04 -1.26 -4.52 113.70 116.53 1r2r s SER 105 Ca 0.71 1.66 -0.02 0.00 0.48 0.00 0.00 55.95 58.78 1r2r s SER 105 Cb -0.43 -2.51 0.45 0.00 0.10 0.00 0.00 66.02 63.63 1r2r s SER 105 CO 0.31 -1.00 1.83 0.44 0.98 0.00 0.00 173.24 175.81 1r2r h ASP 106 N 0.32 0.80 -0.33 7.02 3.32 -1.99 -1.08 116.42 124.49 1r2r h ASP 106 Ca -0.46 0.04 0.01 0.00 0.02 0.00 0.00 57.03 56.64 1r2r h ASP 106 Cb 1.20 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 1r2r h ASP 106 CO 0.59 0.45 0.22 -0.08 -1.72 0.00 0.00 179.24 178.70 1r2r h GLU 107 N 0.90 0.43 -0.46 3.56 4.81 -1.98 -0.34 114.58 121.50 1r2r h GLU 107 Ca 0.44 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.62 1r2r h GLU 107 Cb 0.39 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1r2r h GLU 107 CO -0.25 0.28 0.21 1.25 -0.73 0.00 0.00 179.01 179.78 1r2r h LEU 108 N 0.44 0.62 -0.91 1.64 5.85 -1.82 -1.56 115.31 119.57 1r2r h LEU 108 Ca 0.12 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.73 1r2r h LEU 108 Cb -0.04 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 1r2r h LEU 108 CO -0.03 0.59 0.59 0.40 -0.34 0.00 0.00 178.44 179.64 1r2r h ILE 109 N 0.60 1.16 -0.83 4.05 2.04 -0.80 -0.76 117.51 122.96 1r2r h ILE 109 Ca 0.16 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 1r2r h ILE 109 Cb 0.14 -0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.09 1r2r h ILE 109 CO -0.02 0.21 0.52 1.23 0.00 0.00 0.00 178.15 180.09 1r2r h GLY 110 N 1.15 1.20 1.29 5.37 0.00 -0.65 -0.65 103.07 110.78 1r2r h GLY 110 Ca 0.36 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 47.12 1r2r h GLY 110 CO -0.11 0.47 -0.04 1.46 0.00 0.00 0.00 176.54 178.32 1r2r h GLN 111 N 1.14 0.85 -0.51 4.80 4.20 -0.59 -1.62 115.11 123.38 1r2r h GLN 111 Ca 0.30 -0.26 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 1r2r h GLN 111 Cb -0.07 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 1r2r h GLN 111 CO -0.06 0.88 -0.05 0.87 -0.67 0.00 0.00 178.83 179.80 1r2r h LYS 112 N 0.78 0.94 -0.25 1.46 1.57 -0.63 -1.65 116.57 118.80 1r2r h LYS 112 Ca 0.14 -0.32 0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1r2r h LYS 112 Cb 0.53 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1r2r h LYS 112 CO 0.03 0.98 0.14 0.28 -0.57 0.00 0.00 179.45 180.31 1r2r h VAL 113 N 0.80 1.02 -0.48 0.50 2.07 -0.87 0.82 116.25 120.11 1r2r h VAL 113 Ca 0.14 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1r2r h VAL 113 Cb 0.59 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1r2r h VAL 113 CO 0.04 0.05 0.26 0.00 0.02 0.00 0.00 177.57 177.93 1r2r h ALA 114 N 1.11 0.62 -0.22 1.67 0.00 -1.19 -0.88 119.26 120.38 1r2r h ALA 114 Ca 0.10 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1r2r h ALA 114 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1r2r h ALA 114 CO -0.05 0.15 -0.08 1.25 0.00 0.00 0.00 179.25 180.51 1r2r h HIS 115 N 0.63 0.50 -0.51 0.00 6.17 -1.11 -0.70 115.15 120.13 1r2r h HIS 115 Ca 0.17 -0.12 0.02 0.00 0.71 0.00 0.00 60.37 61.15 1r2r h HIS 115 Cb 0.06 -0.12 -0.03 0.00 2.52 0.00 0.00 27.41 29.84 1r2r h HIS 115 CO -0.02 0.70 0.31 0.00 0.71 0.00 0.00 177.93 179.64 1r2r h ALA 116 N 0.72 0.66 -0.58 5.26 0.00 -0.70 -1.31 119.26 123.30 1r2r h ALA 116 Ca 0.05 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1r2r h ALA 116 Cb 0.56 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1r2r h ALA 116 CO 0.03 0.03 0.03 -0.07 0.00 0.00 0.00 179.25 179.27 1r2r h LEU 117 N 0.63 0.98 -1.68 0.00 3.38 -1.11 -2.18 115.31 115.32 1r2r h LEU 117 Ca 0.20 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1r2r h LEU 117 Cb 0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1r2r h LEU 117 CO -0.08 1.03 -0.18 0.77 0.09 0.00 0.00 178.44 180.06 1r2r h SER 118 N 0.90 0.00 0.28 -0.43 4.64 -0.77 -1.99 113.55 116.18 1r2r h SER 118 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1r2r h SER 118 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1r2r h SER 118 CO 0.02 0.18 -0.08 -0.62 -0.87 0.00 0.00 176.83 175.46 1r2r n GLU 119 N -4.11 0.82 -0.38 4.77 -0.58 -0.53 -4.93 120.64 115.70 1r2r n GLU 119 Ca -0.02 -0.28 0.00 0.00 -0.42 0.00 0.00 57.16 56.44 1r2r n GLU 119 Cb 0.26 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 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 1.23 0.80 3.88 0.62 0.00 -0.75 -4.97 105.19 106.01 1r2r n GLY 120 Ca 0.16 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 3.74 0.37 0.99 1.43 -0.85 -5.02 118.68 119.33 1r2r s LEU 121 Ca 0.00 1.12 -0.16 0.00 -1.03 0.00 0.00 54.13 54.07 1r2r s LEU 121 Cb 0.00 -4.03 -0.09 0.00 0.03 0.00 0.00 46.19 42.10 1r2r s LEU 121 CO 0.00 -0.48 0.80 -0.83 0.23 0.00 0.00 176.35 176.07 1r2r s GLY 122 N -3.43 2.28 -0.08 -3.19 0.00 -0.32 -4.29 107.32 98.29 1r2r s GLY 122 Ca 0.51 0.09 0.03 0.00 0.00 0.00 0.00 44.72 45.36 1r2r s GLY 122 CO 0.36 0.32 -0.19 0.14 0.00 0.00 0.00 173.10 173.73 1r2r s VAL 123 N -2.11 1.62 -0.47 1.40 1.01 -0.32 -0.88 120.40 120.66 1r2r s VAL 123 Ca 0.56 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 61.61 1r2r s VAL 123 Cb -0.10 -1.43 0.07 0.00 0.00 0.00 0.00 36.38 34.92 1r2r s VAL 123 CO 0.19 0.46 0.41 -0.63 0.00 0.00 0.00 175.10 175.53 1r2r s ILE 124 N 0.45 5.21 -0.25 2.22 1.01 -0.14 -1.04 121.20 128.66 1r2r s ILE 124 Ca -0.16 -1.01 -0.09 0.00 0.00 0.00 0.00 60.65 59.39 1r2r s ILE 124 Cb -0.17 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 1r2r s ILE 124 CO 0.06 -0.59 0.13 0.00 0.00 0.00 0.00 174.94 174.54 1r2r s ALA 125 N 1.72 3.40 -0.14 9.38 0.00 0.04 -0.78 121.76 135.38 1r2r s ALA 125 Ca 0.05 -1.03 -0.08 0.00 0.00 0.00 0.00 51.96 50.90 1r2r s ALA 125 Cb -0.24 -2.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.59 1r2r s ALA 125 CO 0.07 -0.38 0.13 0.00 0.00 0.00 0.00 175.76 175.57 1r2r s ILE 127 N -0.57 0.77 0.00 0.00 -0.00 -0.25 -4.63 121.20 116.52 1r2r s ILE 127 Ca 0.12 -1.96 0.00 0.00 -0.00 0.00 0.00 60.65 58.82 1r2r s ILE 127 Cb -0.12 -1.71 0.00 0.00 -0.00 0.00 0.00 42.46 40.63 1r2r s ILE 127 CO 0.02 -0.85 0.00 0.61 -0.00 0.00 0.00 174.94 174.72 1r2r n GLY 128 N -0.07 3.02 3.94 6.27 0.00 -1.26 -1.05 105.19 116.04 1r2r n GLY 128 Ca -0.12 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.88 3.49 0.51 1.61 1.03 -1.26 -4.70 118.70 117.50 1r2r s GLU 129 Ca 0.00 -0.43 -0.02 0.00 0.03 0.00 0.00 54.97 54.55 1r2r s GLU 129 Cb 0.00 -2.77 -0.00 0.00 -0.80 0.00 0.00 34.13 30.56 1r2r s GLU 129 CO 0.00 0.29 0.77 0.15 -1.33 0.00 0.00 175.26 175.14 1r2r s LYS 130 N -3.92 3.04 0.24 -4.83 1.02 -1.26 -1.01 119.74 113.02 1r2r s LYS 130 Ca 0.38 -0.26 -0.05 0.00 0.02 0.00 0.00 55.97 56.06 1r2r s LYS 130 Cb -0.10 -2.44 0.37 0.00 -0.52 0.00 0.00 37.83 35.14 1r2r s LYS 130 CO 0.32 -0.43 1.82 1.25 -0.92 0.00 0.00 175.35 177.39 1r2r h LEU 131 N 0.17 0.70 -1.03 3.17 5.85 -1.96 -0.41 115.31 121.80 1r2r h LEU 131 Ca -0.46 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.22 1r2r h LEU 131 Cb 1.25 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1r2r h LEU 131 CO 0.59 0.42 -0.17 -2.24 -0.34 0.00 0.00 178.44 176.70 1r2r h ASP 132 N 0.83 0.49 -0.26 1.25 2.03 -1.98 0.12 116.42 118.90 1r2r h ASP 132 Ca 0.38 -0.14 -0.05 0.00 -0.73 0.00 0.00 57.03 56.49 1r2r h ASP 132 Cb 0.30 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 38.66 1r2r h ASP 132 CO -0.22 0.68 -0.05 -0.33 -1.03 0.00 0.00 179.24 178.29 1r2r h GLU 133 N 0.46 0.49 -0.43 4.15 5.08 -1.75 -1.29 114.58 121.28 1r2r h GLU 133 Ca 0.08 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1r2r h GLU 133 Cb 0.56 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1r2r h GLU 133 CO 0.04 0.70 0.29 -0.09 -1.00 0.00 0.00 179.01 178.94 1r2r h ARG 134 N 0.24 0.57 0.00 2.33 2.43 -0.64 -2.02 114.38 117.29 1r2r h ARG 134 Ca 0.07 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1r2r h ARG 134 Cb 0.51 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1r2r h ARG 134 CO 0.02 0.38 -0.25 0.93 -1.51 0.00 0.00 179.97 179.54 1r2r h GLU 135 N 0.59 0.00 0.00 0.20 5.08 -0.88 -1.67 114.58 117.90 1r2r h GLU 135 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1r2r h GLU 135 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1r2r h GLU 135 CO -0.03 0.25 -0.08 0.00 -1.00 0.00 0.00 179.01 178.15 1r2r n ALA 136 N -2.45 2.47 -0.76 3.43 0.00 -0.50 -4.92 120.51 117.78 1r2r n ALA 136 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1r2r n ALA 136 Cb 0.31 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 1.45 0.53 1.17 0.00 0.00 -0.63 -4.97 105.19 102.75 1r2r n GLY 137 Ca 0.06 -0.83 0.03 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.76 2.48 -0.10 -0.61 -5.35 -0.81 -4.73 119.36 107.49 1r2r n ILE 138 Ca 0.00 -2.04 -0.07 0.00 -0.27 0.00 0.00 62.75 60.37 1r2r n ILE 138 Cb 0.00 -0.29 -0.01 0.00 -1.74 0.00 0.00 39.64 37.60 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 1.79 0.32 -0.21 7.28 2.02 -1.86 -0.80 112.91 121.45 1r2r h THR 139 Ca 0.10 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.28 1r2r h THR 139 Cb 1.67 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 1r2r h THR 139 CO 0.36 0.00 0.13 -0.08 0.37 0.00 0.00 175.52 176.30 1r2r h GLU 140 N -0.22 0.29 -0.64 6.66 4.81 -1.95 0.29 114.58 123.81 1r2r h GLU 140 Ca 0.17 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.44 1r2r h GLU 140 Cb 0.49 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.76 1r2r h GLU 140 CO -0.48 0.25 0.34 0.87 -0.73 0.00 0.00 179.01 179.26 1r2r h LYS 141 N 0.26 0.61 0.17 1.92 1.57 -1.79 -0.23 116.57 119.07 1r2r h LYS 141 Ca 0.08 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1r2r h LYS 141 Cb 0.03 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1r2r h LYS 141 CO -0.01 0.40 -0.08 0.28 -0.57 0.00 0.00 179.45 179.47 1r2r h VAL 142 N 0.63 0.94 0.00 0.50 2.07 -0.63 -2.08 116.25 117.67 1r2r h VAL 142 Ca 0.29 -0.54 -0.14 0.00 0.82 0.00 0.00 66.70 67.14 1r2r h VAL 142 Cb 0.22 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1r2r h VAL 142 CO -0.20 0.12 -0.65 -0.37 0.02 0.00 0.00 177.57 176.49 1r2r h VAL 143 N -0.49 1.38 -0.31 2.57 -1.51 -0.82 -2.39 116.25 114.68 1r2r h VAL 143 Ca -0.02 -2.31 -0.10 0.00 -1.23 0.00 0.00 66.70 63.03 1r2r h VAL 143 Cb 0.38 2.28 -0.01 0.00 -2.13 0.00 0.00 31.29 31.80 1r2r h VAL 143 CO 0.04 0.64 -0.23 -0.26 -1.23 0.00 0.00 177.57 176.53 1r2r h PHE 144 N 0.00 0.68 -0.30 5.19 -1.00 -1.06 -0.62 116.94 119.83 1r2r h PHE 144 Ca -0.01 -0.14 -0.12 0.00 2.81 0.00 0.00 57.97 60.51 1r2r h PHE 144 Cb 1.22 -0.17 -0.00 0.00 3.61 0.00 0.00 35.95 40.61 1r2r h PHE 144 CO 0.00 0.78 -0.29 1.49 -1.61 0.00 0.00 178.31 178.69 1r2r h GLU 145 N 0.53 0.72 -0.73 1.51 4.57 -1.09 0.57 114.58 120.67 1r2r h GLU 145 Ca 0.08 -0.38 -0.02 0.00 -1.18 0.00 0.00 59.36 57.86 1r2r h GLU 145 Cb 0.68 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.25 1r2r h GLU 145 CO 0.05 1.00 0.39 1.96 -1.18 0.00 0.00 179.01 181.23 1r2r h GLN 146 N 0.48 1.02 -0.51 1.92 4.20 -1.36 -2.67 115.11 118.19 1r2r h GLN 146 Ca 0.05 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.54 1r2r h GLN 146 Cb 0.86 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1r2r h GLN 146 CO 0.07 0.76 -0.06 1.15 -0.67 0.00 0.00 178.83 180.09 1r2r h THR 147 N 1.01 1.26 -0.56 -0.54 2.02 -0.82 -2.60 112.91 112.67 1r2r h THR 147 Ca 0.26 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.29 1r2r h THR 147 Cb 0.05 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1r2r h THR 147 CO -0.04 0.40 0.36 0.50 0.37 0.00 0.00 175.52 177.11 1r2r h LYS 148 N 0.82 0.75 -0.47 6.66 3.64 -0.67 0.10 116.57 127.40 1r2r h LYS 148 Ca 0.14 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.35 1r2r h LYS 148 Cb 0.57 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1r2r h LYS 148 CO 0.03 0.52 -0.16 0.28 -2.27 0.00 0.00 179.45 177.85 1r2r h VAL 149 N 0.76 1.27 0.14 2.00 2.07 -1.30 -0.87 116.25 120.31 1r2r h VAL 149 Ca 0.20 -1.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 1r2r h VAL 149 Cb -0.05 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1r2r h VAL 149 CO -0.04 0.45 -0.09 0.40 0.02 0.00 0.00 177.57 178.31 1r2r h ILE 150 N 0.81 0.82 -0.62 4.57 2.04 -1.16 -3.12 117.51 120.84 1r2r h ILE 150 Ca 0.12 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.00 1r2r h ILE 150 Cb 0.70 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1r2r h ILE 150 CO 0.05 0.00 0.41 0.00 0.00 0.00 0.00 178.15 178.62 1r2r h ALA 151 N 0.64 1.60 0.00 1.87 0.00 -0.44 -0.23 119.26 122.70 1r2r h ALA 151 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1r2r h ALA 151 Cb 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1r2r h ALA 151 CO 0.01 0.35 0.00 -0.44 0.00 0.00 0.00 179.25 179.17 1r2r h ASP 152 N 0.79 0.00 -0.18 0.00 3.32 -1.10 -2.20 116.42 117.06 1r2r h ASP 152 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1r2r h ASP 152 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1r2r h ASP 152 CO -0.06 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.05 1r2r n ASN 153 N -2.90 2.91 -4.23 6.45 3.02 -0.11 -4.97 115.26 115.44 1r2r n ASN 153 Ca -0.02 -2.55 -0.34 0.00 -0.03 0.00 0.00 54.58 51.64 1r2r n ASN 153 Cb 0.09 -0.32 -0.15 0.00 -0.61 0.00 0.00 39.78 38.79 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 -1.96 2.80 -1.12 2.41 1.01 -0.83 -3.84 120.40 118.87 1r2r s VAL 154 Ca 0.26 -0.69 0.14 0.00 0.00 0.00 0.00 61.98 61.69 1r2r s VAL 154 Cb 0.20 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1r2r s VAL 154 CO 0.08 0.48 0.73 0.29 0.00 0.00 0.00 175.10 176.67 1r2r n LYS 155 N 4.66 2.01 -3.35 2.72 5.02 -1.26 -4.83 118.16 123.14 1r2r n LYS 155 Ca -0.19 -0.54 -0.13 0.00 -2.02 0.00 0.00 58.31 55.43 1r2r n LYS 155 Cb 0.51 -1.19 -0.07 0.00 -0.02 0.00 0.00 35.03 34.25 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 -1.88 0.96 0.09 4.39 2.15 -1.26 -5.02 116.67 116.11 1r2r s ASP 156 Ca 0.10 -0.71 0.18 0.00 0.43 0.00 0.00 52.55 52.56 1r2r s ASP 156 Cb 0.11 0.82 0.77 0.00 -0.30 0.00 0.00 42.92 44.32 1r2r s ASP 156 CO 0.41 -0.35 1.57 0.79 -0.17 0.00 0.00 175.17 177.42 1r2r n TRP 157 N 5.16 0.30 0.31 -5.34 7.02 -1.26 -2.80 117.44 120.84 1r2r n TRP 157 Ca 0.01 0.12 0.19 0.00 -1.02 0.00 0.00 57.50 56.80 1r2r n TRP 157 Cb 0.48 -0.69 0.93 0.00 -2.42 0.00 0.00 31.31 29.61 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 -0.50 -0.99 4.64 -1.97 -1.61 113.55 113.12 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 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1r2r h SER 158 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1r2r n LYS 159 N -2.97 3.02 -5.22 4.77 4.76 -1.12 -4.97 118.16 116.44 1r2r n LYS 159 Ca -0.01 -2.47 -0.31 0.00 -2.87 0.00 0.00 58.31 52.65 1r2r n LYS 159 Cb 0.17 -1.54 -0.15 0.00 -1.84 0.00 0.00 35.03 31.66 1r2r n LYS 159 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1r2r s VAL 160 N -1.37 2.19 -0.08 -0.18 1.01 -0.61 -1.17 120.40 120.19 1r2r s VAL 160 Ca 0.38 -1.09 0.03 0.00 0.00 0.00 0.00 61.98 61.30 1r2r s VAL 160 Cb 0.22 -1.78 0.01 0.00 0.00 0.00 0.00 36.38 34.84 1r2r s VAL 160 CO 0.21 0.56 -0.16 -0.69 0.00 0.00 0.00 175.10 175.03 1r2r s VAL 161 N -0.64 1.44 -0.10 2.92 1.01 -0.21 -4.53 120.40 120.29 1r2r s VAL 161 Ca 0.10 -0.65 -0.18 0.00 0.00 0.00 0.00 61.98 61.25 1r2r s VAL 161 Cb -0.10 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1r2r s VAL 161 CO -0.00 0.42 0.47 -0.22 0.00 0.00 0.00 175.10 175.77 1r2r s LEU 162 N 0.62 4.30 -0.25 3.92 1.98 -0.63 -0.78 118.68 127.84 1r2r s LEU 162 Ca -0.15 0.83 0.00 0.00 -2.89 0.00 0.00 54.13 51.93 1r2r s LEU 162 Cb -0.16 -2.68 0.04 0.00 0.66 0.00 0.00 46.19 44.04 1r2r s LEU 162 CO 0.04 0.04 -0.09 0.00 -1.89 0.00 0.00 176.35 174.45 1r2r s ALA 163 N 0.42 2.61 -0.39 5.97 0.00 0.09 -0.29 121.76 130.16 1r2r s ALA 163 Ca 0.26 -1.58 -0.22 0.00 0.00 0.00 0.00 51.96 50.41 1r2r s ALA 163 Cb -0.15 -1.60 0.01 0.00 0.00 0.00 0.00 23.12 21.37 1r2r s ALA 163 CO 0.11 -0.95 0.74 -0.47 0.00 0.00 0.00 175.76 175.19 1r2r s TYR 164 N 1.23 3.09 -0.33 0.00 5.04 0.01 -1.09 117.35 125.29 1r2r s TYR 164 Ca -0.03 0.38 0.01 0.00 -2.44 0.00 0.00 57.07 54.99 1r2r s TYR 164 Cb -0.18 -3.40 0.10 0.00 0.35 0.00 0.00 41.96 38.84 1r2r s TYR 164 CO -0.06 -0.78 0.11 -1.21 -1.34 0.00 0.00 175.55 172.28 1r2r s GLU 165 N 3.04 0.94 0.20 4.97 2.02 -0.22 -0.76 118.70 128.89 1r2r s GLU 165 Ca 0.29 -1.35 -0.31 0.00 0.02 0.00 0.00 54.97 53.61 1r2r s GLU 165 Cb -0.13 -2.27 -0.11 0.00 0.10 0.00 0.00 34.13 31.72 1r2r s GLU 165 CO 0.18 -1.00 1.58 -1.25 0.02 0.00 0.00 175.26 174.79 1r2r s PRO 166 N 1.31 4.19 0.35 0.39 0.04 -1.25 -4.25 135.00 135.78 1r2r s PRO 166 Ca 0.11 2.43 0.06 0.00 0.04 0.00 0.00 61.00 63.65 1r2r s PRO 166 Cb -0.19 -3.11 0.67 0.00 0.04 0.00 0.00 34.50 31.91 1r2r s PRO 166 CO -0.19 -0.61 1.88 0.28 0.04 0.00 0.00 177.00 178.41 1r2r h VAL 167 N 3.81 1.19 0.00 -0.36 2.07 -1.35 -1.21 116.25 120.40 1r2r h VAL 167 Ca -0.44 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.27 1r2r h VAL 167 Cb 1.21 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1r2r h VAL 167 CO 0.88 0.27 0.00 -2.67 0.02 0.00 0.00 177.57 176.07 1r2r n TRP 168 N -4.27 0.58 1.02 1.57 4.27 -1.26 -2.00 117.44 117.35 1r2r n TRP 168 Ca 0.00 0.27 0.12 0.00 -3.89 0.00 0.00 57.50 54.00 1r2r n TRP 168 Cb 0.26 -0.93 0.08 0.00 -1.36 0.00 0.00 31.31 29.37 1r2r n TRP 168 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1r2r n ALA 169 N -1.71 2.83 -2.57 -1.67 0.00 -0.46 -4.61 120.51 112.32 1r2r n ALA 169 Ca 0.01 -0.67 -0.42 0.00 0.00 0.00 0.00 53.44 52.36 1r2r n ALA 169 Cb 0.11 -0.82 -0.06 0.00 0.00 0.00 0.00 19.45 18.68 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 -2.16 4.86 0.00 0.00 1.01 -0.85 -1.82 121.20 122.24 1r2r s ILE 170 Ca 0.25 0.61 0.00 0.00 0.00 0.00 0.00 60.65 61.51 1r2r s ILE 170 Cb 0.19 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.56 1r2r s ILE 170 CO 0.39 -0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.60 1r2r n GLY 171 N 4.66 0.69 0.01 6.18 0.00 -1.26 -4.83 105.19 110.65 1r2r n GLY 171 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.17 0.05 -0.81 2.61 -2.24 -1.26 -4.97 114.28 105.49 1r2r n THR 172 Ca 0.00 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1r2r n THR 172 Cb 0.02 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 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 1.37 1.01 2.98 3.38 0.00 -1.26 -4.95 105.19 107.72 1r2r n GLY 173 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1r2r n GLY 173 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1r2r n LYS 174 N -2.00 3.75 -1.71 1.61 4.81 -1.26 -4.99 118.16 118.36 1r2r n LYS 174 Ca 0.00 -3.79 -0.43 0.00 -0.87 0.00 0.00 58.31 53.22 1r2r n LYS 174 Cb 0.00 -2.85 -0.02 0.00 0.02 0.00 0.00 35.03 32.18 1r2r n LYS 174 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1r2r n THR 175 N 3.10 1.03 -1.65 3.15 -1.04 -1.26 -4.25 114.28 113.36 1r2r n THR 175 Ca 0.36 -0.26 -0.43 0.00 -2.04 0.00 0.00 64.05 61.69 1r2r n THR 175 Cb 0.37 -1.75 -0.00 0.00 -1.82 0.00 0.00 70.33 67.12 1r2r n THR 175 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1r2r n ALA 176 N 1.97 0.67 -1.07 2.41 0.00 -1.26 -4.97 120.51 118.26 1r2r n ALA 176 Ca 0.10 0.33 -0.31 0.00 0.00 0.00 0.00 53.44 53.56 1r2r n ALA 176 Cb 0.35 -2.16 0.12 0.00 0.00 0.00 0.00 19.45 17.75 1r2r n ALA 176 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1r2r s THR 177 N -1.13 2.78 0.26 0.00 -4.23 -1.26 -4.81 115.64 107.25 1r2r s THR 177 Ca 0.58 0.27 -0.02 0.00 -1.18 0.00 0.00 61.69 61.34 1r2r s THR 177 Cb -0.60 -2.59 0.23 0.00 1.34 0.00 0.00 72.50 70.89 1r2r s THR 177 CO 0.60 -0.32 1.78 -0.65 -0.54 0.00 0.00 174.62 175.50 1r2r h PRO 178 N -1.28 0.69 -0.69 3.99 0.11 -1.93 -1.36 132.00 131.52 1r2r h PRO 178 Ca -0.44 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 1r2r h PRO 178 Cb 1.25 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1r2r h PRO 178 CO 0.48 0.45 0.13 0.37 -0.21 0.00 0.00 178.00 179.22 1r2r h GLN 179 N 0.71 1.13 -0.41 1.05 -0.00 -1.95 0.68 115.11 116.33 1r2r h GLN 179 Ca 0.44 -0.29 -0.03 0.00 -0.00 0.00 0.00 58.65 58.76 1r2r h GLN 179 Cb 0.54 -0.14 -0.02 0.00 0.00 0.00 0.00 27.48 27.86 1r2r h GLN 179 CO -0.31 1.02 0.12 1.96 0.00 0.00 0.00 178.83 181.61 1r2r h GLN 180 N 1.06 0.64 -0.11 1.69 4.20 -1.78 -0.22 115.11 120.59 1r2r h GLN 180 Ca 0.21 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 1r2r h GLN 180 Cb 0.42 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 1r2r h GLN 180 CO 0.01 0.64 -0.00 0.00 -0.67 0.00 0.00 178.83 178.81 1r2r h ALA 181 N 0.97 0.15 -0.76 3.87 0.00 -1.04 -2.74 119.26 119.71 1r2r h ALA 181 Ca 0.13 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.95 1r2r h ALA 181 Cb 0.28 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 1r2r h ALA 181 CO -0.00 -0.16 0.41 0.37 0.00 0.00 0.00 179.25 179.87 1r2r h GLN 182 N -0.08 0.67 -0.12 0.00 5.75 -0.76 0.11 115.11 120.69 1r2r h GLN 182 Ca 0.03 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.51 1r2r h GLN 182 Cb 0.36 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 1r2r h GLN 182 CO 0.01 0.44 0.01 1.49 -2.65 0.00 0.00 178.83 178.13 1r2r h GLU 183 N 0.69 0.06 -0.22 1.69 4.81 -0.88 0.20 114.58 120.93 1r2r h GLU 183 Ca 0.37 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.55 1r2r h GLU 183 Cb 0.35 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1r2r h GLU 183 CO -0.25 0.04 -0.05 0.28 -0.73 0.00 0.00 179.01 178.30 1r2r h VAL 184 N 0.06 1.28 -0.74 0.32 2.07 -1.13 -2.64 116.25 115.47 1r2r h VAL 184 Ca 0.05 -1.03 0.03 0.00 0.82 0.00 0.00 66.70 66.57 1r2r h VAL 184 Cb 0.05 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 1r2r h VAL 184 CO -0.08 0.32 0.47 0.45 0.02 0.00 0.00 177.57 178.75 1r2r h HIS 185 N 0.15 0.88 -0.84 1.57 3.86 -0.79 0.11 115.15 120.10 1r2r h HIS 185 Ca 0.06 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 1r2r h HIS 185 Cb 0.50 -0.29 -0.04 0.00 1.06 0.00 0.00 27.41 28.64 1r2r h HIS 185 CO 0.05 0.51 0.45 1.49 0.86 0.00 0.00 177.93 181.29 1r2r h GLU 186 N 0.92 1.18 -0.51 2.45 4.22 -0.96 -0.10 114.58 121.78 1r2r h GLU 186 Ca 0.30 -0.14 -0.09 0.00 0.08 0.00 0.00 59.36 59.50 1r2r h GLU 186 Cb 0.01 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 1r2r h GLU 186 CO -0.11 0.87 -0.03 0.87 -2.18 0.00 0.00 179.01 178.44 1r2r h LYS 187 N 1.17 0.91 -0.70 1.92 1.57 -0.93 -1.05 116.57 119.46 1r2r h LYS 187 Ca 0.29 -0.30 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1r2r h LYS 187 Cb 0.05 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1r2r h LYS 187 CO -0.05 0.95 0.18 -0.07 -0.57 0.00 0.00 179.45 179.90 1r2r h LEU 188 N 0.78 1.04 -0.75 2.94 3.38 -0.46 -0.68 115.31 121.55 1r2r h LEU 188 Ca 0.14 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1r2r h LEU 188 Cb 0.56 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1r2r h LEU 188 CO 0.03 0.99 -0.17 -0.09 0.09 0.00 0.00 178.44 179.29 1r2r h ARG 189 N 1.05 0.77 -0.46 1.13 2.43 -0.85 -1.60 114.38 116.85 1r2r h ARG 189 Ca 0.22 -0.29 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 1r2r h ARG 189 Cb 0.35 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1r2r h ARG 189 CO -0.00 0.89 0.14 0.78 -1.51 0.00 0.00 179.97 180.27 1r2r h GLY 190 N 0.97 0.72 0.93 2.80 0.00 -0.91 -1.19 103.07 106.40 1r2r h GLY 190 Ca 0.11 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 1r2r h GLY 190 CO 0.05 0.35 0.10 -0.25 0.00 0.00 0.00 176.54 176.79 1r2r h TRP 191 N 0.66 0.64 -0.67 5.60 7.01 -0.41 -1.41 115.95 127.38 1r2r h TRP 191 Ca 0.15 -0.07 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 1r2r h TRP 191 Cb 0.20 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.04 1r2r h TRP 191 CO 0.01 0.62 0.36 -0.07 -2.79 0.00 0.00 178.44 176.57 1r2r h LEU 192 N 0.48 0.82 -0.27 0.65 3.38 -0.82 0.13 115.31 119.69 1r2r h LEU 192 Ca 0.12 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1r2r h LEU 192 Cb 0.29 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1r2r h LEU 192 CO -0.00 0.66 -0.24 0.50 0.09 0.00 0.00 178.44 179.45 1r2r h LYS 193 N 0.93 0.64 -0.09 1.13 3.64 -0.87 0.41 116.57 122.35 1r2r h LYS 193 Ca 0.24 -0.33 -0.20 0.00 -1.27 0.00 0.00 60.65 59.09 1r2r h LYS 193 Cb 0.03 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1r2r h LYS 193 CO -0.04 0.93 -0.76 0.77 -2.27 0.00 0.00 179.45 178.08 1r2r h SER 194 N 0.36 0.60 0.00 4.20 0.02 -1.06 -3.34 113.55 114.34 1r2r h SER 194 Ca 0.05 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1r2r h SER 194 Cb 0.80 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1r2r h SER 194 CO 0.06 1.16 -1.46 0.59 -1.14 0.00 0.00 176.83 176.05 1r2r n ASN 195 N -3.85 1.20 0.00 3.07 4.13 0.01 -4.87 115.26 114.94 1r2r n ASN 195 Ca -0.05 -0.23 0.00 0.00 1.68 0.00 0.00 54.58 55.97 1r2r n ASN 195 Cb 0.73 1.53 0.00 0.00 -1.54 0.00 0.00 39.78 40.50 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 -1.87 0.00 -3.58 2.41 0.31 0.06 -5.04 118.33 110.62 1r2r n VAL 196 Ca -0.01 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.27 1r2r n VAL 196 Cb 0.37 -0.55 -0.02 0.00 -0.91 0.00 0.00 33.84 32.73 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 -0.90 -0.21 0.18 4.52 1.04 -0.73 -5.00 113.70 112.60 1r2r s SER 197 Ca 0.00 -0.05 -0.14 0.00 0.48 0.00 0.00 55.95 56.24 1r2r s SER 197 Cb 0.00 0.25 0.15 0.00 0.10 0.00 0.00 66.02 66.53 1r2r s SER 197 CO 0.00 -0.43 1.72 0.44 0.98 0.00 0.00 173.24 175.96 1r2r h ASP 198 N 2.00 0.02 -0.47 7.02 5.19 -1.84 -0.83 116.42 127.51 1r2r h ASP 198 Ca -0.17 0.08 -0.03 0.00 -0.62 0.00 0.00 57.03 56.29 1r2r h ASP 198 Cb 1.20 0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.79 1r2r h ASP 198 CO 0.26 0.04 0.19 0.00 -3.12 0.00 0.00 179.24 176.61 1r2r h ALA 199 N 1.35 0.61 -0.46 3.45 0.00 -1.95 0.76 119.26 123.02 1r2r h ALA 199 Ca 0.23 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1r2r h ALA 199 Cb 0.28 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1r2r h ALA 199 CO -0.29 0.22 0.09 0.28 0.00 0.00 0.00 179.25 179.54 1r2r h VAL 200 N 0.61 1.24 -0.97 0.00 2.07 -1.88 -1.35 116.25 115.98 1r2r h VAL 200 Ca 0.16 -0.88 0.06 0.00 0.82 0.00 0.00 66.70 66.86 1r2r h VAL 200 Cb 0.20 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 1r2r h VAL 200 CO -0.01 0.31 0.62 0.00 0.02 0.00 0.00 177.57 178.51 1r2r h ALA 201 N 0.96 1.34 0.00 1.67 0.00 -0.72 -2.08 119.26 120.43 1r2r h ALA 201 Ca 0.14 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 1r2r h ALA 201 Cb 0.37 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1r2r h ALA 201 CO 0.01 0.40 -0.84 0.37 0.00 0.00 0.00 179.25 179.19 1r2r h GLN 202 N 1.12 0.00 0.00 0.00 5.75 -0.42 -3.34 115.11 118.23 1r2r h GLN 202 Ca 0.42 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.92 1r2r h GLN 202 Cb 0.17 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.72 1r2r h GLN 202 CO -0.17 0.84 -1.62 -1.13 -2.65 0.00 0.00 178.83 174.10 1r2r n SER 203 N -3.41 0.36 -4.67 -0.69 3.41 -0.55 -4.69 113.62 103.38 1r2r n SER 203 Ca 0.00 -0.31 -0.43 0.00 -0.26 0.00 0.00 58.87 57.88 1r2r n SER 203 Cb 0.84 1.59 -0.03 0.00 -0.26 0.00 0.00 64.21 66.35 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 -3.34 4.75 0.07 6.66 2.01 -0.80 -4.85 115.64 120.15 1r2r s THR 204 Ca -0.02 2.00 -0.31 0.00 0.31 0.00 0.00 61.69 63.66 1r2r s THR 204 Cb 0.15 -4.29 -0.07 0.00 0.01 0.00 0.00 72.50 68.29 1r2r s THR 204 CO 0.89 -0.06 1.34 -0.13 -0.69 0.00 0.00 174.62 175.97 1r2r s ARG 205 N 2.48 4.34 -0.29 4.92 3.00 -1.26 -4.97 118.95 127.16 1r2r s ARG 205 Ca 0.46 1.97 -0.02 0.00 0.00 0.00 0.00 55.73 58.13 1r2r s ARG 205 Cb -0.17 -3.35 0.04 0.00 0.00 0.00 0.00 34.95 31.47 1r2r s ARG 205 CO 0.13 -0.42 -0.00 0.42 0.00 0.00 0.00 175.30 175.42 1r2r s ILE 206 N 1.39 3.09 0.13 1.52 1.01 -1.26 -1.60 121.20 125.48 1r2r s ILE 206 Ca 0.63 -1.22 0.04 0.00 0.00 0.00 0.00 60.65 60.10 1r2r s ILE 206 Cb -0.34 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 1r2r s ILE 206 CO 0.29 -0.02 0.13 0.27 0.00 0.00 0.00 174.94 175.61 1r2r s ILE 207 N 1.30 4.61 -0.11 2.92 -4.36 0.60 -1.09 121.20 125.07 1r2r s ILE 207 Ca -0.03 -0.90 -0.05 0.00 -0.26 0.00 0.00 60.65 59.41 1r2r s ILE 207 Cb -0.19 -3.30 -0.04 0.00 1.25 0.00 0.00 42.46 40.18 1r2r s ILE 207 CO -0.01 -0.01 0.08 -0.47 0.24 0.00 0.00 174.94 174.76 1r2r s TYR 208 N -1.61 3.39 0.08 1.37 5.04 -0.39 -0.81 117.35 124.44 1r2r s TYR 208 Ca 0.31 0.36 0.04 0.00 -2.44 0.00 0.00 57.07 55.34 1r2r s TYR 208 Cb -0.11 -1.89 -0.03 0.00 0.35 0.00 0.00 41.96 40.28 1r2r s TYR 208 CO 0.23 0.58 -0.12 0.20 -1.34 0.00 0.00 175.55 175.11 1r2r s GLY 209 N -0.85 0.83 0.00 8.97 0.00 0.06 -1.47 107.32 114.87 1r2r s GLY 209 Ca 0.13 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 43.77 1r2r s GLY 209 CO 0.03 -1.13 0.00 0.61 0.00 0.00 0.00 173.10 172.61 1r2r n GLY 210 N 0.92 1.73 3.85 0.20 0.00 -1.26 -3.91 105.19 106.71 1r2r n GLY 210 Ca -0.19 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 1r2r n GLY 210 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r2r n SER 211 N 0.00 -1.87 -4.69 1.61 7.64 -0.76 -4.34 113.62 111.21 1r2r n SER 211 Ca 0.00 -0.87 -0.42 0.00 1.01 0.00 0.00 58.87 58.59 1r2r n SER 211 Cb 0.00 -3.68 -0.03 0.00 -1.01 0.00 0.00 64.21 59.49 1r2r n SER 211 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1r2r s VAL 212 N -3.64 3.96 0.30 0.44 1.01 -1.26 -4.51 120.40 116.70 1r2r s VAL 212 Ca 0.19 1.35 0.03 0.00 0.00 0.00 0.00 61.98 63.55 1r2r s VAL 212 Cb -0.10 -3.86 -0.06 0.00 0.00 0.00 0.00 36.38 32.36 1r2r s VAL 212 CO 0.84 0.03 0.06 0.42 0.00 0.00 0.00 175.10 176.45 1r2r s THR 213 N 1.97 1.03 0.33 3.92 -4.23 -1.26 -4.58 115.64 112.82 1r2r s THR 213 Ca 0.60 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.16 1r2r s THR 213 Cb -0.29 -2.72 0.30 0.00 1.34 0.00 0.00 72.50 71.13 1r2r s THR 213 CO 0.26 -0.03 1.89 1.23 -0.54 0.00 0.00 174.62 177.43 1r2r h GLY 214 N 2.21 1.25 2.00 3.99 0.00 -1.96 -1.11 103.07 109.45 1r2r h GLY 214 Ca -0.40 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 46.52 1r2r h GLY 214 CO 0.67 0.17 -0.32 0.00 0.00 0.00 0.00 176.54 177.06 1r2r h ALA 215 N 1.57 1.00 0.00 3.60 0.00 -1.97 -3.31 119.26 120.15 1r2r h ALA 215 Ca 0.42 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1r2r h ALA 215 Cb 0.49 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1r2r h ALA 215 CO -0.18 0.40 -0.89 0.25 0.00 0.00 0.00 179.25 178.83 1r2r n THR 216 N -3.47 0.00 0.04 0.00 -2.24 -0.90 -4.73 114.28 102.98 1r2r n THR 216 Ca -0.00 -0.23 -0.03 0.00 -2.27 0.00 0.00 64.05 61.52 1r2r n THR 216 Cb 0.49 0.76 0.20 0.00 -2.10 0.00 0.00 70.33 69.68 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 0.35 0.58 -0.38 0.00 1.57 -1.80 0.44 116.57 117.33 1r2r h LYS 218 Ca 0.04 -0.19 -0.11 0.00 -1.87 0.00 0.00 60.65 58.53 1r2r h LYS 218 Cb 0.74 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1r2r h LYS 218 CO 0.06 0.71 -0.22 0.93 -0.57 0.00 0.00 179.45 180.36 1r2r h GLU 219 N 0.38 0.74 -0.31 3.15 4.39 -1.88 -2.07 114.58 118.98 1r2r h GLU 219 Ca 0.09 -0.29 -0.05 0.00 0.34 0.00 0.00 59.36 59.45 1r2r h GLU 219 Cb 0.45 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1r2r h GLU 219 CO 0.02 0.90 -0.00 -0.07 -1.16 0.00 0.00 179.01 178.69 1r2r h LEU 220 N 0.65 0.53 -1.47 1.33 3.38 -1.32 -3.11 115.31 115.30 1r2r h LEU 220 Ca 0.09 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1r2r h LEU 220 Cb 0.72 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1r2r h LEU 220 CO 0.06 0.71 0.00 0.00 0.09 0.00 0.00 178.44 179.30 1r2r h ALA 221 N 0.84 1.00 0.00 1.53 0.00 -0.71 -2.36 119.26 119.56 1r2r h ALA 221 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1r2r h ALA 221 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1r2r h ALA 221 CO 0.02 0.00 0.00 0.77 0.00 0.00 0.00 179.25 180.04 1r2r h SER 222 N 0.00 0.00 -3.51 0.00 0.02 -1.31 -3.46 113.55 105.30 1r2r h SER 222 Ca 0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 1r2r h SER 222 Cb 0.39 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.97 1r2r h SER 222 CO 0.00 0.00 0.62 -1.10 -1.14 0.00 0.00 176.83 175.21 1r2r s GLN 223 N -3.36 4.43 0.53 3.45 -1.52 -0.89 -4.92 119.66 117.38 1r2r s GLN 223 Ca 0.05 2.02 0.23 0.00 -1.95 0.00 0.00 55.36 55.71 1r2r s GLN 223 Cb 0.09 -3.18 1.45 0.00 -0.22 0.00 0.00 33.01 31.15 1r2r s GLN 223 CO 0.54 -0.17 2.15 -1.35 -0.25 0.00 0.00 175.29 176.21 1r2r h PRO 224 N 4.91 0.00 -0.35 2.91 0.11 -1.90 -2.80 132.00 134.89 1r2r h PRO 224 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1r2r h PRO 224 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1r2r h PRO 224 CO 0.74 0.05 0.00 -0.25 -0.21 0.00 0.00 178.00 178.33 1r2r n ASP 225 N -4.11 2.96 -4.59 -2.05 8.00 -1.26 -4.88 116.55 110.62 1r2r n ASP 225 Ca -0.03 -1.93 -0.39 0.00 0.71 0.00 0.00 54.79 53.15 1r2r n ASP 225 Cb 0.14 -0.23 -0.09 0.00 -0.02 0.00 0.00 41.12 40.91 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 -1.02 5.18 -1.21 2.53 1.01 -1.06 -4.65 120.40 121.19 1r2r s VAL 226 Ca 0.26 0.41 0.17 0.00 0.00 0.00 0.00 61.98 62.82 1r2r s VAL 226 Cb 0.14 -3.71 0.54 0.00 0.00 0.00 0.00 36.38 33.34 1r2r s VAL 226 CO 0.19 0.10 1.45 0.47 0.00 0.00 0.00 175.10 177.32 1r2r n ASP 227 N 5.33 3.81 0.00 3.32 8.00 -0.25 -4.75 116.55 132.00 1r2r n ASP 227 Ca -0.09 -2.22 0.00 0.00 0.71 0.00 0.00 54.79 53.19 1r2r n ASP 227 Cb 0.51 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 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 0.91 0.76 3.01 0.44 0.00 -1.26 -1.56 105.19 107.49 1r2r n GLY 228 Ca 0.20 -1.76 -0.10 0.00 0.00 0.00 0.00 46.02 44.36 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 -3.03 0.17 -0.34 1.61 0.40 -0.46 -1.26 117.98 115.07 1r2r s PHE 229 Ca 0.00 -0.37 -0.05 0.00 -0.60 0.00 0.00 56.93 55.92 1r2r s PHE 229 Cb 0.00 -0.13 0.06 0.00 0.51 0.00 0.00 43.02 43.46 1r2r s PHE 229 CO 0.00 -0.21 0.10 -1.17 0.70 0.00 0.00 175.22 174.64 1r2r s LEU 230 N -1.33 4.41 -0.13 -0.37 2.96 -0.54 -0.59 118.68 123.09 1r2r s LEU 230 Ca -0.14 -1.37 -0.10 0.00 -0.22 0.00 0.00 54.13 52.30 1r2r s LEU 230 Cb -0.09 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.74 1r2r s LEU 230 CO -0.00 -0.36 0.20 -0.69 -1.32 0.00 0.00 176.35 174.18 1r2r s VAL 231 N 1.31 5.38 0.00 1.68 1.01 0.15 -4.17 120.40 125.77 1r2r s VAL 231 Ca -0.01 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.33 1r2r s VAL 231 Cb -0.20 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1r2r s VAL 231 CO 0.00 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1r2r n GLY 232 N 2.60 0.39 0.37 4.51 0.00 -1.26 -0.28 105.19 111.53 1r2r n GLY 232 Ca -0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 1.29 2.00 -0.02 0.00 -1.91 0.02 103.07 104.45 1r2r h GLY 233 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1r2r h GLY 233 CO 0.00 0.07 0.00 0.00 0.00 0.00 0.00 176.54 176.61 1r2r h ALA 234 N 1.60 1.00 0.00 3.60 0.00 -1.88 -2.72 119.26 120.85 1r2r h ALA 234 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1r2r h ALA 234 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1r2r h ALA 234 CO -0.23 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.68 1r2r h SER 235 N 0.00 0.00 0.33 0.00 4.64 -1.21 -2.49 113.55 114.82 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 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1r2r h SER 235 CO 0.00 0.00 -0.20 0.18 -0.87 0.00 0.00 176.83 175.94 1r2r n LEU 236 N -2.80 0.72 -4.47 5.97 4.77 -1.03 -4.86 117.00 115.30 1r2r n LEU 236 Ca 0.01 -0.10 -0.24 0.00 -0.03 0.00 0.00 56.01 55.64 1r2r n LEU 236 Cb 0.25 -0.17 -0.10 0.00 -2.33 0.00 0.00 43.42 41.07 1r2r n LEU 236 CO 0.23 0.14 -0.48 -0.54 -1.33 0.00 0.00 177.39 175.41 1r2r s LYS 237 N -2.54 1.67 0.57 3.23 1.02 -0.95 -4.96 119.74 117.78 1r2r s LYS 237 Ca 0.25 -1.75 0.35 0.00 0.02 0.00 0.00 55.97 54.84 1r2r s LYS 237 Cb 0.19 -1.78 1.46 0.00 -0.52 0.00 0.00 37.83 37.19 1r2r s LYS 237 CO 0.51 0.33 1.71 -1.35 -0.92 0.00 0.00 175.35 175.64 1r2r h PRO 238 N 2.33 0.00 0.00 -1.68 0.11 -1.92 -1.74 132.00 129.11 1r2r h PRO 238 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1r2r h PRO 238 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 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 -3.90 0.03 -0.24 1.05 0.28 -1.26 -2.06 120.64 114.54 1r2r n GLU 239 Ca 0.24 0.32 0.07 0.00 -0.16 0.00 0.00 57.16 57.63 1r2r n GLU 239 Cb 1.27 -1.56 0.32 0.00 1.43 0.00 0.00 31.44 32.90 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 0.87 -0.72 -1.84 3.57 -1.25 -1.96 116.94 115.60 1r2r h PHE 240 Ca 0.00 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 1r2r h PHE 240 Cb 0.22 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 1r2r h PHE 240 CO 0.00 0.43 0.21 0.28 -2.23 0.00 0.00 178.31 177.00 1r2r h VAL 241 N 0.83 1.26 -0.91 1.41 2.07 -1.64 -0.57 116.25 118.70 1r2r h VAL 241 Ca 0.36 -0.92 0.08 0.00 0.82 0.00 0.00 66.70 67.04 1r2r h VAL 241 Cb 0.33 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 30.50 1r2r h VAL 241 CO -0.14 0.36 0.57 0.44 0.02 0.00 0.00 177.57 178.82 1r2r h ASP 242 N 1.08 0.88 -0.20 0.57 3.32 -1.51 -2.17 116.42 118.39 1r2r h ASP 242 Ca 0.23 0.03 -0.14 0.00 0.02 0.00 0.00 57.03 57.17 1r2r h ASP 242 Cb 0.32 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1r2r h ASP 242 CO -0.01 0.53 -0.38 0.40 -1.72 0.00 0.00 179.24 178.07 1r2r h ILE 243 N 1.00 1.29 -0.75 0.35 2.04 -0.77 -2.37 117.51 118.29 1r2r h ILE 243 Ca 0.42 -1.55 0.07 0.00 1.00 0.00 0.00 64.86 64.80 1r2r h ILE 243 Cb 0.26 1.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 1r2r h ILE 243 CO -0.20 0.50 0.49 0.40 0.00 0.00 0.00 178.15 179.34 1r2r h ILE 244 N 0.61 1.01 -0.50 -0.67 2.04 -0.62 -1.76 117.51 117.63 1r2r h ILE 244 Ca 0.05 -0.27 -0.20 0.00 1.00 0.00 0.00 64.86 65.44 1r2r h ILE 244 Cb 0.92 0.17 -0.12 0.00 -0.74 0.00 0.00 36.82 37.05 1r2r h ILE 244 CO 0.08 0.14 0.26 0.59 0.00 0.00 0.00 178.15 179.22 1r2r n ASN 245 N -4.48 3.54 0.25 1.72 3.02 -0.86 -4.63 115.26 113.81 1r2r n ASN 245 Ca 0.11 -2.80 0.08 0.00 -0.03 0.00 0.00 54.58 51.94 1r2r n ASN 245 Cb 0.24 -0.67 0.61 0.00 -0.61 0.00 0.00 39.78 39.36 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 1.98 1.70 -0.00 5.41 0.00 -1.19 -1.68 119.26 125.48 1r2r h ALA 246 Ca 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1r2r h ALA 246 Cb 1.85 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1r2r h ALA 246 CO 0.53 0.13 -0.28 1.63 0.00 0.00 0.00 179.25 181.26 1r2r n LYS 247 N -4.23 0.51 0.00 0.00 5.02 -1.26 -4.45 118.16 113.74 1r2r n LYS 247 Ca -0.03 -0.26 0.16 0.00 -2.02 0.00 0.00 58.31 56.16 1r2r n LYS 247 Cb 0.19 -1.49 0.95 0.00 -0.02 0.00 0.00 35.03 34.65 1r2r n LYS 247 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92