#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qya s LYS 2 N 0.00 4.03 -0.07 3.23 -0.14 -1.26 -4.76 119.74 120.77 1qya s LYS 2 Ca 0.00 0.66 -0.40 0.00 -1.36 0.00 0.00 55.97 54.87 1qya s LYS 2 Cb 0.00 -2.58 -0.18 0.00 -1.68 0.00 0.00 37.83 33.39 1qya s LYS 2 CO 0.00 0.24 1.31 -2.30 -0.76 0.00 0.00 175.35 173.84 1qya n PRO 3 N -0.05 0.51 -4.39 -1.68 -0.02 -1.26 -4.30 135.00 123.81 1qya n PRO 3 Ca 0.01 0.18 -0.22 0.00 -2.02 0.00 0.00 63.50 61.46 1qya n PRO 3 Cb 0.53 -1.75 -0.10 0.00 -0.02 0.00 0.00 33.50 32.15 1qya n PRO 3 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1qya s GLN 4 N 0.97 1.46 -0.08 -0.52 -0.21 -0.87 -2.99 119.66 117.42 1qya s GLN 4 Ca 0.92 -1.61 0.05 0.00 0.02 0.00 0.00 55.36 54.73 1qya s GLN 4 Cb -1.17 -1.46 -0.00 0.00 1.00 0.00 0.00 33.01 31.37 1qya s GLN 4 CO 0.58 0.27 -0.23 0.54 -2.12 0.00 0.00 175.29 174.34 1qya s VAL 5 N -2.50 1.92 -0.08 1.09 0.11 0.17 -2.37 120.40 118.75 1qya s VAL 5 Ca 0.24 -0.96 0.03 0.00 -2.93 0.00 0.00 61.98 58.36 1qya s VAL 5 Cb -0.04 -1.65 -0.02 0.00 -1.53 0.00 0.00 36.38 33.15 1qya s VAL 5 CO 0.10 0.53 -0.18 -0.31 -3.33 0.00 0.00 175.10 171.92 1qya s TYR 6 N 0.15 2.64 -0.29 1.54 1.51 0.40 -1.54 117.35 121.76 1qya s TYR 6 Ca -0.11 -0.49 -0.08 0.00 -1.01 0.00 0.00 57.07 55.37 1qya s TYR 6 Cb -0.16 -1.68 -0.01 0.00 -0.11 0.00 0.00 41.96 40.00 1qya s TYR 6 CO 0.06 -0.07 0.11 -1.58 -1.11 0.00 0.00 175.55 172.97 1qya s HIS 7 N -0.23 3.14 -0.04 2.71 2.46 -0.60 -1.65 115.29 121.08 1qya s HIS 7 Ca -0.00 -0.59 0.04 0.00 0.47 0.00 0.00 55.06 54.98 1qya s HIS 7 Cb -0.13 -2.30 -0.00 0.00 -0.13 0.00 0.00 32.58 30.01 1qya s HIS 7 CO 0.03 -0.44 -0.17 0.08 -2.47 0.00 0.00 174.74 171.77 1qya s VAL 8 N 1.59 1.43 -0.29 0.89 1.01 -0.29 -0.86 120.40 123.87 1qya s VAL 8 Ca 0.05 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.19 1qya s VAL 8 Cb -0.16 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1qya s VAL 8 CO 0.05 0.41 0.25 -1.81 0.00 0.00 0.00 175.10 174.00 1qya s ASP 9 N 0.05 6.08 0.17 3.32 1.01 -0.61 0.14 116.67 126.84 1qya s ASP 9 Ca -0.04 -0.04 -0.05 0.00 0.71 0.00 0.00 52.55 53.13 1qya s ASP 9 Cb -0.12 -2.15 -0.06 0.00 1.01 0.00 0.00 42.92 41.61 1qya s ASP 9 CO 0.02 -0.13 0.42 0.00 0.21 0.00 0.00 175.17 175.69 1qya s ALA 10 N 1.83 3.75 -1.26 5.23 0.00 -0.05 -1.28 121.76 129.98 1qya s ALA 10 Ca 0.09 -0.54 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 1qya s ALA 10 Cb -0.16 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.79 1qya s ALA 10 CO 0.11 0.59 0.33 1.19 0.00 0.00 0.00 175.76 177.98 1qya n PHE 11 N -0.10 -1.30 -3.46 0.00 3.72 0.46 -1.43 117.46 115.35 1qya n PHE 11 Ca -0.02 0.28 -0.13 0.00 -0.05 0.00 0.00 57.45 57.53 1qya n PHE 11 Cb 0.52 -3.60 -0.03 0.00 -0.94 0.00 0.00 39.48 35.43 1qya n PHE 11 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1qya s THR 12 N -2.97 0.01 -0.33 4.37 -1.32 -1.21 -0.80 115.64 113.39 1qya s THR 12 Ca 0.16 -0.06 0.22 0.00 -1.21 0.00 0.00 61.69 60.80 1qya s THR 12 Cb -0.07 -1.01 -0.25 0.00 -1.51 0.00 0.00 72.50 69.65 1qya s THR 12 CO 0.20 -0.03 0.70 -1.20 -2.21 0.00 0.00 174.62 172.08 1qya n SER 13 N -0.14 0.37 -4.65 8.08 7.64 -1.26 -2.86 113.62 120.80 1qya n SER 13 Ca -0.17 -0.20 -0.38 0.00 1.01 0.00 0.00 58.87 59.12 1qya n SER 13 Cb 0.63 1.47 -0.08 0.00 -1.01 0.00 0.00 64.21 65.23 1qya n SER 13 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1qya s GLN 14 N -3.35 4.11 0.41 1.43 -0.21 -1.26 -4.83 119.66 115.96 1qya s GLN 14 Ca -0.02 0.10 -0.25 0.00 0.02 0.00 0.00 55.36 55.21 1qya s GLN 14 Cb 0.14 -3.58 -0.10 0.00 1.00 0.00 0.00 33.01 30.47 1qya s GLN 14 CO 0.87 -0.11 1.15 -2.30 -2.12 0.00 0.00 175.29 172.79 1qya n PRO 15 N 4.75 1.67 -0.96 2.91 -0.02 -1.26 -2.34 135.00 139.75 1qya n PRO 15 Ca -0.09 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1qya n PRO 15 Cb 0.51 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1qya n PRO 15 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1qya n PHE 16 N -0.28 0.00 -2.96 6.00 3.72 -1.26 -5.00 117.46 117.69 1qya n PHE 16 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 1qya n PHE 16 Cb 0.39 -0.36 0.00 0.00 -0.94 0.00 0.00 39.48 38.57 1qya n PHE 16 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1qya n ARG 17 N -2.11 3.21 0.00 -1.08 5.12 -0.99 -4.78 116.66 116.03 1qya n ARG 17 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1qya n ARG 17 Cb 0.06 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.36 1qya n ARG 17 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1qya n GLY 18 N 5.00 0.98 3.10 -0.13 0.00 -0.43 -4.63 105.19 109.09 1qya n GLY 18 Ca 0.00 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 1qya n GLY 18 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qya s ASN 19 N -4.00 4.27 0.30 1.61 3.84 -0.51 -4.70 114.94 115.74 1qya s ASN 19 Ca 0.00 -1.22 -0.28 0.00 0.21 0.00 0.00 52.86 51.58 1qya s ASN 19 Cb 0.00 -1.57 -0.09 0.00 -0.55 0.00 0.00 41.25 39.04 1qya s ASN 19 CO 0.00 -0.16 1.00 -0.94 -2.79 0.00 0.00 177.10 174.21 1qya s SER 20 N 1.17 7.31 0.03 -4.21 1.04 -1.26 -0.88 113.70 116.91 1qya s SER 20 Ca -0.06 2.01 -0.06 0.00 0.48 0.00 0.00 55.95 58.32 1qya s SER 20 Cb -0.19 -2.60 -0.01 0.00 0.10 0.00 0.00 66.02 63.33 1qya s SER 20 CO -0.06 -0.09 0.11 0.00 0.98 0.00 0.00 173.24 174.18 1qya s ALA 21 N -1.39 -0.13 0.10 5.32 0.00 0.12 -4.48 121.76 121.31 1qya s ALA 21 Ca 0.47 -0.48 -0.04 0.00 0.00 0.00 0.00 51.96 51.92 1qya s ALA 21 Cb -0.25 0.24 -0.05 0.00 0.00 0.00 0.00 23.12 23.06 1qya s ALA 21 CO 0.31 -0.31 0.31 0.20 0.00 0.00 0.00 175.76 176.27 1qya s GLY 22 N -2.05 2.23 -0.06 0.00 0.00 -1.00 -1.14 107.32 105.30 1qya s GLY 22 Ca -0.06 -0.64 0.01 0.00 0.00 0.00 0.00 44.72 44.02 1qya s GLY 22 CO -0.04 -0.57 -0.04 0.14 0.00 0.00 0.00 173.10 172.59 1qya s VAL 23 N -1.57 0.59 -0.12 1.40 1.01 -0.66 -0.45 120.40 120.60 1qya s VAL 23 Ca 0.38 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.27 1qya s VAL 23 Cb -0.13 -0.64 0.01 0.00 0.00 0.00 0.00 36.38 35.63 1qya s VAL 23 CO 0.25 0.25 -0.22 -0.69 0.00 0.00 0.00 175.10 174.69 1qya s VAL 24 N 1.18 2.00 -0.30 2.92 1.01 0.61 -0.46 120.40 127.36 1qya s VAL 24 Ca -0.07 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 60.83 1qya s VAL 24 Cb -0.14 -1.76 0.13 0.00 0.00 0.00 0.00 36.38 34.62 1qya s VAL 24 CO -0.01 0.54 0.73 0.12 0.00 0.00 0.00 175.10 176.48 1qya s PHE 25 N 0.62 -1.15 0.44 5.22 5.36 -1.00 -1.94 117.98 125.53 1qya s PHE 25 Ca -0.12 2.04 -0.13 0.00 -0.96 0.00 0.00 56.93 57.76 1qya s PHE 25 Cb -0.17 0.69 -0.07 0.00 -0.34 0.00 0.00 43.02 43.13 1qya s PHE 25 CO 0.03 -0.57 0.84 -1.25 -1.46 0.00 0.00 175.22 172.81 1qya s PRO 26 N 2.59 3.87 -0.17 10.12 0.04 -1.26 -2.06 135.00 148.13 1qya s PRO 26 Ca -0.06 0.67 0.16 0.00 0.04 0.00 0.00 61.00 61.81 1qya s PRO 26 Cb -0.10 -2.30 0.38 0.00 0.04 0.00 0.00 34.50 32.52 1qya s PRO 26 CO -0.19 -0.10 1.25 0.00 0.04 0.00 0.00 177.00 178.00 1qya n ALA 27 N -1.29 2.89 0.06 8.56 0.00 -0.89 -4.31 120.51 125.52 1qya n ALA 27 Ca 0.04 -2.76 0.04 0.00 0.00 0.00 0.00 53.44 50.75 1qya n ALA 27 Cb 0.54 -0.47 0.43 0.00 0.00 0.00 0.00 19.45 19.94 1qya n ALA 27 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1qya h ASP 28 N 0.63 0.36 -0.68 0.00 5.19 -1.96 -2.96 116.42 117.01 1qya h ASP 28 Ca 0.02 -0.03 -0.36 0.00 -0.62 0.00 0.00 57.03 56.04 1qya h ASP 28 Cb 1.15 -0.09 -0.21 0.00 0.18 0.00 0.00 39.33 40.35 1qya h ASP 28 CO 0.08 0.34 0.28 0.59 -3.12 0.00 0.00 179.24 177.41 1qya n ASN 29 N -4.41 3.26 -4.49 6.45 4.13 -1.26 -4.95 115.26 113.99 1qya n ASN 29 Ca 0.01 -3.71 -0.34 0.00 1.68 0.00 0.00 54.58 52.22 1qya n ASN 29 Cb 0.13 -0.74 -0.12 0.00 -1.54 0.00 0.00 39.78 37.51 1qya n ASN 29 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1qya s LEU 30 N -3.30 3.21 0.87 3.41 1.43 -1.12 -5.12 118.68 118.05 1qya s LEU 30 Ca 0.51 -0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 53.36 1qya s LEU 30 Cb 0.45 -1.77 0.11 0.00 0.03 0.00 0.00 46.19 45.01 1qya s LEU 30 CO 0.05 0.18 1.10 -0.94 0.23 0.00 0.00 176.35 176.97 1qya s SER 31 N 0.31 3.83 0.35 2.29 1.04 -1.26 -4.84 113.70 115.42 1qya s SER 31 Ca -0.04 1.26 0.04 0.00 0.48 0.00 0.00 55.95 57.69 1qya s SER 31 Cb -0.14 -1.94 0.68 0.00 0.10 0.00 0.00 66.02 64.72 1qya s SER 31 CO 0.03 -2.38 1.96 -0.08 0.98 0.00 0.00 173.24 173.75 1qya h GLU 32 N -1.37 0.80 -0.42 4.02 4.81 -1.99 -1.43 114.58 119.00 1qya h GLU 32 Ca -0.49 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 58.57 1qya h GLU 32 Cb 1.29 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 1qya h GLU 32 CO 0.59 0.53 -0.21 0.00 -0.73 0.00 0.00 179.01 179.19 1qya h ALA 33 N 1.59 0.84 -0.31 2.92 0.00 -1.99 -1.60 119.26 120.71 1qya h ALA 33 Ca 0.31 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1qya h ALA 33 Cb 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1qya h ALA 33 CO -0.10 0.64 -0.40 1.96 0.00 0.00 0.00 179.25 181.35 1qya h GLN 34 N 0.72 0.75 -0.49 0.00 4.20 -1.76 -1.82 115.11 116.72 1qya h GLN 34 Ca 0.10 -0.39 -0.11 0.00 0.06 0.00 0.00 58.65 58.31 1qya h GLN 34 Cb 0.73 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 1qya h GLN 34 CO 0.06 1.01 -0.14 0.52 -0.67 0.00 0.00 178.83 179.62 1qya h MET 35 N 0.61 0.96 -0.72 1.46 2.86 -1.24 -1.36 114.93 117.51 1qya h MET 35 Ca 0.05 -0.38 -0.07 0.00 -2.06 0.00 0.00 59.70 57.24 1qya h MET 35 Cb 0.95 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.53 1qya h MET 35 CO 0.09 1.04 0.17 0.37 1.06 0.00 0.00 176.91 179.65 1qya h GLN 36 N 0.82 1.15 -0.34 1.72 5.75 -1.24 -1.00 115.11 121.97 1qya h GLN 36 Ca 0.12 -0.28 -0.04 0.00 -0.15 0.00 0.00 58.65 58.30 1qya h GLN 36 Cb 0.70 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.09 1qya h GLN 36 CO 0.05 1.01 0.05 -0.07 -2.65 0.00 0.00 178.83 177.22 1qya h LEU 37 N 1.09 0.54 -0.46 -2.39 3.38 -1.19 -1.40 115.31 114.88 1qya h LEU 37 Ca 0.22 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1qya h LEU 37 Cb 0.38 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1qya h LEU 37 CO 0.00 0.67 0.20 0.40 0.09 0.00 0.00 178.44 179.80 1qya h ILE 38 N 0.39 1.20 -0.42 1.22 2.04 -1.10 -0.42 117.51 120.43 1qya h ILE 38 Ca 0.10 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1qya h ILE 38 Cb 0.37 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1qya h ILE 38 CO 0.01 0.23 0.27 0.00 0.00 0.00 0.00 178.15 178.65 1qya h ALA 39 N 1.04 0.53 -0.50 1.87 0.00 -1.06 -0.21 119.26 120.92 1qya h ALA 39 Ca 0.16 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1qya h ALA 39 Cb 0.17 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1qya h ALA 39 CO -0.01 -0.01 0.25 -0.09 0.00 0.00 0.00 179.25 179.39 1qya h ARG 40 N 0.56 0.48 -0.43 0.00 2.43 -1.12 -1.85 114.38 114.46 1qya h ARG 40 Ca 0.15 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1qya h ARG 40 Cb -0.05 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 1qya h ARG 40 CO -0.03 0.32 0.20 1.49 -1.51 0.00 0.00 179.97 180.44 1qya h GLU 41 N 0.49 0.62 0.00 0.20 4.57 -0.28 -2.79 114.58 117.39 1qya h GLU 41 Ca 0.22 -0.09 -0.12 0.00 -1.18 0.00 0.00 59.36 58.18 1qya h GLU 41 Cb 0.13 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 1qya h GLU 41 CO -0.16 0.54 -0.59 -0.07 -1.18 0.00 0.00 179.01 177.56 1qya h LEU 42 N 0.55 0.00 0.00 1.64 3.38 -0.99 -3.47 115.31 116.41 1qya h LEU 42 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1qya h LEU 42 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1qya h LEU 42 CO -0.02 0.59 0.00 0.61 0.09 0.00 0.00 178.44 179.71 1qya n GLY 43 N 0.27 0.55 3.75 0.83 0.00 -0.70 -5.01 105.19 104.88 1qya n GLY 43 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1qya n GLY 43 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qya s HIS 44 N -2.43 2.41 0.48 1.61 3.76 -1.26 -4.92 115.29 114.94 1qya s HIS 44 Ca 0.00 1.58 0.13 0.00 -0.15 0.00 0.00 55.06 56.62 1qya s HIS 44 Cb 0.00 -3.25 1.14 0.00 1.11 0.00 0.00 32.58 31.57 1qya s HIS 44 CO 0.00 -2.01 2.11 0.66 -0.85 0.00 0.00 174.74 174.65 1qya h SER 45 N -0.24 0.13 -3.66 1.40 4.64 -1.93 -3.37 113.55 110.53 1qya h SER 45 Ca -0.47 -0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.65 1qya h SER 45 Cb 1.26 -0.03 -0.28 0.00 -0.31 0.00 0.00 62.40 63.04 1qya h SER 45 CO 0.52 0.11 -0.54 -1.61 -0.87 0.00 0.00 176.83 174.44 1qya s GLU 46 N -5.16 0.17 -0.06 4.77 2.02 -1.26 -4.18 118.70 115.00 1qya s GLU 46 Ca -0.06 0.29 0.06 0.00 0.02 0.00 0.00 54.97 55.28 1qya s GLU 46 Cb 0.17 0.01 -0.01 0.00 0.10 0.00 0.00 34.13 34.40 1qya s GLU 46 CO 0.69 -0.07 -0.25 0.99 0.02 0.00 0.00 175.26 176.64 1qya s THR 47 N 0.46 2.04 -0.06 3.63 2.01 -0.15 -2.36 115.64 121.20 1qya s THR 47 Ca -0.03 -1.06 -0.03 0.00 0.31 0.00 0.00 61.69 60.88 1qya s THR 47 Cb -0.04 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 1qya s THR 47 CO -0.02 0.57 0.08 0.00 -0.69 0.00 0.00 174.62 174.55 1qya s ALA 48 N -0.18 3.60 -0.17 7.40 0.00 0.40 -1.49 121.76 131.33 1qya s ALA 48 Ca -0.03 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.16 1qya s ALA 48 Cb -0.14 -1.68 0.02 0.00 0.00 0.00 0.00 23.12 21.33 1qya s ALA 48 CO 0.03 0.64 -0.16 -0.06 0.00 0.00 0.00 175.76 176.22 1qya s PHE 49 N -1.06 2.46 -0.22 0.00 0.40 -0.26 -0.29 117.98 119.01 1qya s PHE 49 Ca 0.18 -1.46 -0.11 0.00 -0.60 0.00 0.00 56.93 54.94 1qya s PHE 49 Cb -0.12 -1.73 -0.05 0.00 0.51 0.00 0.00 43.02 41.63 1qya s PHE 49 CO 0.08 -0.74 0.19 -0.51 0.70 0.00 0.00 175.22 174.94 1qya s LEU 50 N 1.39 4.15 0.37 -0.37 1.02 -0.82 -1.88 118.68 122.54 1qya s LEU 50 Ca 0.04 0.22 0.03 0.00 0.02 0.00 0.00 54.13 54.44 1qya s LEU 50 Cb -0.13 -2.17 -0.04 0.00 0.02 0.00 0.00 46.19 43.87 1qya s LEU 50 CO -0.11 0.08 0.10 -0.76 0.02 0.00 0.00 176.35 175.68 1qya s LEU 51 N 0.87 2.03 0.21 1.79 1.02 -0.14 -2.10 118.68 122.36 1qya s LEU 51 Ca 0.10 -1.56 -0.30 0.00 0.02 0.00 0.00 54.13 52.39 1qya s LEU 51 Cb -0.13 -0.20 -0.08 0.00 0.02 0.00 0.00 46.19 45.80 1qya s LEU 51 CO 0.03 -0.81 1.02 -2.28 0.02 0.00 0.00 176.35 174.34 1qya s HIS 52 N -3.28 3.76 0.05 0.29 5.65 -1.26 -2.67 115.29 117.83 1qya s HIS 52 Ca 0.29 1.76 0.08 0.00 0.25 0.00 0.00 55.06 57.44 1qya s HIS 52 Cb 0.05 -3.14 -0.03 0.00 -1.18 0.00 0.00 32.58 28.27 1qya s HIS 52 CO 0.15 -0.10 -0.19 -1.54 -0.65 0.00 0.00 174.74 172.40 1qya s SER 53 N -0.65 3.73 0.00 9.88 1.04 -1.26 -4.63 113.70 121.81 1qya s SER 53 Ca 0.45 -0.46 0.22 0.00 0.48 0.00 0.00 55.95 56.64 1qya s SER 53 Cb -0.28 -0.56 0.55 0.00 0.10 0.00 0.00 66.02 65.82 1qya s SER 53 CO 0.35 0.25 1.45 0.47 0.98 0.00 0.00 173.24 176.74 1qya n ASP 54 N 1.50 2.69 -0.35 7.02 9.92 -1.26 -4.13 116.55 131.93 1qya n ASP 54 Ca -0.16 -1.88 0.00 0.00 -0.53 0.00 0.00 54.79 52.22 1qya n ASP 54 Cb 0.52 -0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.82 1qya n ASP 54 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1qya n ASP 55 N 1.00 0.00 -2.17 -2.24 5.75 -1.26 -5.13 116.55 112.50 1qya n ASP 55 Ca 0.18 -1.59 -0.05 0.00 -0.01 0.00 0.00 54.79 53.32 1qya n ASP 55 Cb 0.49 -0.12 0.02 0.00 -1.03 0.00 0.00 41.12 40.48 1qya n ASP 55 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1qya n SER 56 N 0.00 -1.33 0.12 -1.12 3.41 -1.26 -5.05 113.62 108.40 1qya n SER 56 Ca 0.00 -1.87 -0.20 0.00 -0.26 0.00 0.00 58.87 56.54 1qya n SER 56 Cb 0.62 2.20 -0.15 0.00 -0.26 0.00 0.00 64.21 66.62 1qya n SER 56 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1qya h ASP 57 N 1.21 0.62 -3.43 4.04 3.32 -1.86 -3.39 116.42 116.93 1qya h ASP 57 Ca -0.20 -0.67 -0.11 0.00 0.02 0.00 0.00 57.03 56.08 1qya h ASP 57 Cb 0.75 -0.20 -0.25 0.00 0.22 0.00 0.00 39.33 39.85 1qya h ASP 57 CO 0.25 1.53 -0.25 0.54 -1.72 0.00 0.00 179.24 179.60 1qya s VAL 58 N -2.63 -0.02 -0.13 -1.35 0.11 -1.24 -4.47 120.40 110.67 1qya s VAL 58 Ca -0.07 0.06 -0.06 0.00 -2.93 0.00 0.00 61.98 58.98 1qya s VAL 58 Cb 0.06 -0.64 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 1qya s VAL 58 CO 0.91 0.02 0.08 -0.13 -3.33 0.00 0.00 175.10 172.66 1qya s ARG 59 N 1.02 3.51 -0.02 1.54 0.52 -1.09 -1.89 118.95 122.55 1qya s ARG 59 Ca -0.06 -0.27 0.03 0.00 -0.52 0.00 0.00 55.73 54.91 1qya s ARG 59 Cb -0.06 -3.11 -0.00 0.00 0.52 0.00 0.00 34.95 32.30 1qya s ARG 59 CO -0.09 0.59 -0.09 0.42 0.02 0.00 0.00 175.30 176.15 1qya s ILE 60 N -0.53 0.77 -0.05 1.52 1.01 -1.07 -0.97 121.20 121.88 1qya s ILE 60 Ca 0.11 -0.39 0.05 0.00 0.00 0.00 0.00 60.65 60.43 1qya s ILE 60 Cb -0.12 -0.66 -0.02 0.00 0.01 0.00 0.00 42.46 41.67 1qya s ILE 60 CO 0.02 0.23 -0.21 -0.13 0.00 0.00 0.00 174.94 174.85 1qya s ARG 61 N -0.04 2.46 -0.07 2.79 0.52 -0.79 -4.53 118.95 119.29 1qya s ARG 61 Ca 0.01 -0.83 0.03 0.00 -0.52 0.00 0.00 55.73 54.42 1qya s ARG 61 Cb -0.06 -2.22 -0.02 0.00 0.52 0.00 0.00 34.95 33.17 1qya s ARG 61 CO -0.00 0.50 -0.17 0.71 0.02 0.00 0.00 175.30 176.36 1qya s TYR 62 N -0.43 2.65 -0.03 -0.53 1.51 -1.26 -1.10 117.35 118.16 1qya s TYR 62 Ca 0.05 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.72 1qya s TYR 62 Cb -0.12 -1.67 0.01 0.00 -0.11 0.00 0.00 41.96 40.07 1qya s TYR 62 CO 0.01 -0.00 -0.08 -0.06 -1.11 0.00 0.00 175.55 174.31 1qya s PHE 63 N -0.35 0.87 0.91 2.71 0.40 -0.55 -1.44 117.98 120.53 1qya s PHE 63 Ca 0.03 -0.22 -0.13 0.00 -0.60 0.00 0.00 56.93 56.01 1qya s PHE 63 Cb -0.12 -0.64 0.19 0.00 0.51 0.00 0.00 43.02 42.95 1qya s PHE 63 CO 0.02 -0.11 1.26 0.95 0.70 0.00 0.00 175.22 178.04 1qya s THR 64 N 0.32 2.02 0.65 0.64 -4.23 0.35 -0.98 115.64 114.41 1qya s THR 64 Ca -0.05 -0.12 0.37 0.00 -1.18 0.00 0.00 61.69 60.71 1qya s THR 64 Cb -0.09 -2.90 0.39 0.00 1.34 0.00 0.00 72.50 71.24 1qya s THR 64 CO 0.00 0.00 2.22 -0.65 -0.54 0.00 0.00 174.62 175.66 1qya h PRO 65 N -1.42 0.00 0.00 3.99 0.11 -1.76 -3.30 132.00 129.62 1qya h PRO 65 Ca -0.43 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.66 1qya h PRO 65 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1qya h PRO 65 CO 0.38 0.00 -1.13 0.25 -0.21 0.00 0.00 178.00 177.29 1qya n THR 66 N -3.26 0.10 -3.71 -1.15 -2.24 -1.26 -3.76 114.28 99.00 1qya n THR 66 Ca -0.02 -0.08 -0.11 0.00 -2.27 0.00 0.00 64.05 61.58 1qya n THR 66 Cb 0.18 -0.57 -0.06 0.00 -2.10 0.00 0.00 70.33 67.78 1qya n THR 66 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1qya s VAL 67 N -2.08 0.09 0.35 2.28 0.11 -1.24 -5.12 120.40 114.79 1qya s VAL 67 Ca -0.01 -0.71 -0.27 0.00 -2.93 0.00 0.00 61.98 58.07 1qya s VAL 67 Cb 0.01 -1.12 -0.09 0.00 -1.53 0.00 0.00 36.38 33.65 1qya s VAL 67 CO 0.09 -0.39 1.12 -0.70 -3.33 0.00 0.00 175.10 171.89 1qya s GLU 68 N -3.33 4.30 0.32 1.54 2.12 -1.26 -0.50 118.70 121.89 1qya s GLU 68 Ca 0.00 1.76 0.03 0.00 0.36 0.00 0.00 54.97 57.13 1qya s GLU 68 Cb 0.01 -2.84 -0.04 0.00 0.26 0.00 0.00 34.13 31.52 1qya s GLU 68 CO -0.08 -0.08 0.14 0.14 -0.54 0.00 0.00 175.26 174.84 1qya s VAL 69 N -1.37 0.46 0.49 3.70 -7.23 -0.52 -4.89 120.40 111.04 1qya s VAL 69 Ca 0.52 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.67 1qya s VAL 69 Cb -0.29 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.12 1qya s VAL 69 CO 0.37 0.00 0.75 -2.16 -0.31 0.00 0.00 175.10 173.75 1qya s PRO 70 N -3.81 3.10 -0.11 4.82 0.05 -1.26 -4.09 135.00 133.70 1qya s PRO 70 Ca 0.34 -0.25 -0.10 0.00 0.05 0.00 0.00 61.00 61.04 1qya s PRO 70 Cb 0.05 -2.45 -0.04 0.00 0.05 0.00 0.00 34.50 32.10 1qya s PRO 70 CO 0.17 -0.37 0.46 1.51 0.05 0.00 0.00 177.00 178.82 1qya n ILE 71 N -2.24 0.00 -0.03 0.56 0.13 -1.26 -4.94 119.36 111.58 1qya n ILE 71 Ca 0.02 0.00 0.22 0.00 -1.10 0.00 0.00 62.75 61.89 1qya n ILE 71 Cb 0.57 -0.11 0.52 0.00 -0.84 0.00 0.00 39.64 39.78 1qya n ILE 71 CO 0.00 0.00 0.00 1.12 2.80 0.00 0.00 176.55 180.47 1qya h HIS 74 N 1.87 0.00 0.00 9.51 2.07 -1.97 -3.51 115.15 123.12 1qya h HIS 74 Ca -0.04 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.43 1qya h HIS 74 Cb 0.32 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.29 1qya h HIS 74 CO 0.21 0.00 -0.23 0.00 -3.07 0.00 0.00 177.93 174.83 1qya h ALA 75 N 0.83 0.98 0.00 6.11 0.00 -1.93 -2.45 119.26 122.80 1qya h ALA 75 Ca 0.32 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1qya h ALA 75 Cb 2.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.88 1qya h ALA 75 CO -0.00 0.29 -0.00 1.15 0.00 0.00 0.00 179.25 180.69 1qya h THR 76 N 0.00 1.08 -0.53 0.00 2.02 -1.97 0.43 112.91 113.95 1qya h THR 76 Ca -0.00 -0.25 0.04 0.00 0.77 0.00 0.00 66.41 66.97 1qya h THR 76 Cb 0.83 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 68.45 1qya h THR 76 CO 0.03 0.07 0.28 0.58 0.37 0.00 0.00 175.52 176.84 1qya h VAL 77 N -0.11 0.98 -0.49 3.16 2.07 -1.94 -2.21 116.25 117.70 1qya h VAL 77 Ca -0.00 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.37 1qya h VAL 77 Cb 0.11 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1qya h VAL 77 CO 0.00 0.10 0.26 0.00 0.02 0.00 0.00 177.57 177.95 1qya h ALA 78 N 1.27 0.62 -0.40 1.67 0.00 -1.28 -0.40 119.26 120.74 1qya h ALA 78 Ca 0.23 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1qya h ALA 78 Cb 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1qya h ALA 78 CO -0.15 -0.07 0.15 0.00 0.00 0.00 0.00 179.25 179.18 1qya h ALA 79 N 1.24 0.52 0.00 0.00 0.00 -0.64 -0.99 119.26 119.40 1qya h ALA 79 Ca 0.21 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 1qya h ALA 79 Cb 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1qya h ALA 79 CO -0.13 0.14 -0.82 0.45 0.00 0.00 0.00 179.25 178.89 1qya h HIS 80 N 0.50 0.05 0.02 0.00 3.86 -1.25 -1.00 115.15 117.32 1qya h HIS 80 Ca 0.13 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1qya h HIS 80 Cb 0.22 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1qya h HIS 80 CO 0.00 0.84 -0.01 -0.92 0.86 0.00 0.00 177.93 178.70 1qya h TYR 81 N 0.02 -0.02 -0.52 2.45 5.03 -0.93 -0.32 116.97 122.67 1qya h TYR 81 Ca -0.01 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.31 1qya h TYR 81 Cb 1.44 0.01 -0.03 0.00 1.55 0.00 0.00 36.73 39.70 1qya h TYR 81 CO 0.01 0.03 0.33 0.28 -1.32 0.00 0.00 178.16 177.49 1qya h VAL 82 N -0.07 1.10 -0.52 1.81 2.07 -1.07 -1.05 116.25 118.53 1qya h VAL 82 Ca -0.00 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1qya h VAL 82 Cb 0.06 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1qya h VAL 82 CO 0.00 0.12 0.20 -0.09 0.02 0.00 0.00 177.57 177.83 1qya h ARG 83 N 0.67 0.78 -0.73 1.57 2.43 -1.09 -1.05 114.38 116.96 1qya h ARG 83 Ca 0.20 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1qya h ARG 83 Cb -0.04 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.35 1qya h ARG 83 CO -0.06 0.69 0.46 0.00 -1.51 0.00 0.00 179.97 179.55 1qya h ALA 84 N 1.05 0.92 -0.22 2.80 0.00 -0.75 -1.31 119.26 121.75 1qya h ALA 84 Ca 0.17 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1qya h ALA 84 Cb 0.21 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1qya h ALA 84 CO -0.01 0.37 -0.08 0.87 0.00 0.00 0.00 179.25 180.39 1qya h LYS 85 N 0.99 0.45 -0.29 0.00 1.79 -0.78 -1.20 116.57 117.53 1qya h LYS 85 Ca 0.26 -0.19 -0.13 0.00 -2.18 0.00 0.00 60.65 58.41 1qya h LYS 85 Cb -0.08 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.55 1qya h LYS 85 CO -0.05 0.71 -0.35 0.28 -1.08 0.00 0.00 179.45 178.96 1qya h VAL 86 N 0.16 1.30 0.00 0.50 2.07 -1.14 -3.15 116.25 115.99 1qya h VAL 86 Ca 0.05 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 66.04 1qya h VAL 86 Cb 0.56 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1qya h VAL 86 CO 0.03 0.49 -0.31 0.18 0.02 0.00 0.00 177.57 177.98 1qya n LEU 87 N -4.20 0.50 -1.80 2.57 4.77 -0.50 -4.96 117.00 113.37 1qya n LEU 87 Ca -0.04 0.31 -0.11 0.00 -0.03 0.00 0.00 56.01 56.14 1qya n LEU 87 Cb 0.51 -0.31 0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1qya n LEU 87 CO 0.46 -0.02 0.07 0.61 -1.33 0.00 0.00 177.39 177.18 1qya n GLY 88 N 1.41 0.19 3.73 -0.72 0.00 -0.52 -4.99 105.19 104.29 1qya n GLY 88 Ca 0.05 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 1qya n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qya s LEU 89 N -3.76 3.23 0.00 0.99 1.43 -0.78 -5.05 118.68 114.74 1qya s LEU 89 Ca 0.23 2.21 0.00 0.00 -1.03 0.00 0.00 54.13 55.54 1qya s LEU 89 Cb -0.10 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.55 1qya s LEU 89 CO 0.28 -2.25 0.00 0.61 0.23 0.00 0.00 176.35 175.22 1qya n GLY 90 N 0.04 3.32 3.47 -3.19 0.00 -1.26 -4.94 105.19 102.63 1qya n GLY 90 Ca 0.12 -1.89 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 1qya n GLY 90 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qya s ASN 91 N -0.22 6.50 0.23 1.61 0.01 -1.26 -4.52 114.94 117.29 1qya s ASN 91 Ca 0.00 -1.69 -0.05 0.00 -0.71 0.00 0.00 52.86 50.40 1qya s ASN 91 Cb 0.00 -2.43 -0.02 0.00 0.41 0.00 0.00 41.25 39.20 1qya s ASN 91 CO 0.00 -1.23 0.29 0.00 -1.51 0.00 0.00 177.10 174.65 1qya s THR 93 N -4.03 3.71 0.05 0.00 2.01 -1.26 -1.13 115.64 114.99 1qya s THR 93 Ca 0.32 -0.45 0.06 0.00 0.31 0.00 0.00 61.69 61.93 1qya s THR 93 Cb 0.04 -2.56 -0.02 0.00 0.01 0.00 0.00 72.50 69.96 1qya s THR 93 CO 0.12 0.56 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.81 1qya s ILE 94 N -0.29 1.31 -0.12 1.82 1.01 0.70 -5.02 121.20 120.60 1qya s ILE 94 Ca 0.04 -1.12 0.02 0.00 0.00 0.00 0.00 60.65 59.59 1qya s ILE 94 Cb -0.13 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.17 1qya s ILE 94 CO 0.02 0.04 -0.18 0.26 0.00 0.00 0.00 174.94 175.08 1qya s TRP 95 N -0.89 2.71 -0.15 3.97 0.52 -1.26 -0.62 118.94 123.22 1qya s TRP 95 Ca 0.03 -0.89 -0.05 0.00 0.02 0.00 0.00 56.10 55.22 1qya s TRP 95 Cb -0.08 -1.80 -0.04 0.00 -1.15 0.00 0.00 33.47 30.40 1qya s TRP 95 CO 0.02 -0.35 0.03 -1.14 0.02 0.00 0.00 176.95 175.53 1qya s GLN 96 N 0.44 3.63 -0.04 4.98 0.74 -0.46 -3.45 119.66 125.52 1qya s GLN 96 Ca -0.13 -0.39 -0.01 0.00 0.05 0.00 0.00 55.36 54.88 1qya s GLN 96 Cb -0.17 -3.03 -0.04 0.00 1.10 0.00 0.00 33.01 30.87 1qya s GLN 96 CO 0.06 0.40 0.05 0.99 -0.55 0.00 0.00 175.29 176.23 1qya s THR 97 N -0.01 4.56 -0.04 -0.34 2.01 -0.79 -0.85 115.64 120.17 1qya s THR 97 Ca 0.04 -0.35 -0.29 0.00 0.31 0.00 0.00 61.69 61.40 1qya s THR 97 Cb -0.13 -3.02 0.10 0.00 0.01 0.00 0.00 72.50 69.47 1qya s THR 97 CO 0.02 0.45 0.86 -0.94 -0.69 0.00 0.00 174.62 174.32 1qya s SER 98 N -1.40 -0.43 0.00 3.53 1.04 -1.26 -2.60 113.70 112.58 1qya s SER 98 Ca 0.19 0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.84 1qya s SER 98 Cb -0.12 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1qya s SER 98 CO 0.09 -0.57 0.00 0.18 0.98 0.00 0.00 173.24 173.92 1qya n LEU 99 N 0.20 0.00 -4.50 2.42 4.77 -1.26 -5.04 117.00 113.58 1qya n LEU 99 Ca -0.11 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.44 1qya n LEU 99 Cb 0.60 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 1qya n LEU 99 CO 0.14 0.00 0.72 -0.75 -1.33 0.00 0.00 177.39 176.17 1qya s LYS 102 N 0.00 3.26 -0.14 3.23 2.20 -1.25 -5.12 119.74 121.93 1qya s LYS 102 Ca 0.00 -0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.16 1qya s LYS 102 Cb 0.00 -4.10 -0.01 0.00 -1.51 0.00 0.00 37.83 32.21 1qya s LYS 102 CO 0.00 -1.55 -0.15 -1.01 -0.36 0.00 0.00 175.35 172.29 1qya s HIS 103 N 3.89 2.78 -0.15 4.03 3.76 -0.03 -4.94 115.29 124.63 1qya s HIS 103 Ca 0.27 -0.83 -0.26 0.00 -0.15 0.00 0.00 55.06 54.09 1qya s HIS 103 Cb -0.14 -1.85 -0.01 0.00 1.11 0.00 0.00 32.58 31.68 1qya s HIS 103 CO 0.16 -0.33 0.88 0.50 -0.85 0.00 0.00 174.74 175.10 1qya s ARG 104 N 0.54 4.34 -0.03 1.40 3.52 -1.26 -1.35 118.95 126.11 1qya s ARG 104 Ca -0.09 1.12 0.06 0.00 -0.13 0.00 0.00 55.73 56.69 1qya s ARG 104 Cb -0.16 -3.56 -0.01 0.00 -1.56 0.00 0.00 34.95 29.66 1qya s ARG 104 CO 0.04 -0.31 -0.22 0.08 -0.81 0.00 0.00 175.30 174.08 1qya s VAL 105 N 2.05 1.78 -0.02 7.11 1.01 0.21 -1.81 120.40 130.73 1qya s VAL 105 Ca 0.41 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.51 1qya s VAL 105 Cb -0.17 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 1qya s VAL 105 CO 0.14 0.50 -0.19 -0.89 0.00 0.00 0.00 175.10 174.66 1qya s THR 106 N -0.31 2.64 -0.10 3.92 2.01 0.07 -0.22 115.64 123.65 1qya s THR 106 Ca 0.03 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 61.10 1qya s THR 106 Cb -0.11 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.39 1qya s THR 106 CO 0.01 0.54 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.64 1qya s ILE 107 N -0.72 2.33 -0.04 1.82 1.01 -0.28 -0.46 121.20 124.86 1qya s ILE 107 Ca 0.11 -0.93 0.05 0.00 0.00 0.00 0.00 60.65 59.89 1qya s ILE 107 Cb -0.10 -1.91 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 1qya s ILE 107 CO 0.01 0.55 -0.20 -1.61 0.00 0.00 0.00 174.94 173.70 1qya s GLU 108 N 0.22 1.93 -0.25 2.79 2.02 -0.32 -1.87 118.70 123.23 1qya s GLU 108 Ca -0.13 -0.70 -0.00 0.00 0.02 0.00 0.00 54.97 54.15 1qya s GLU 108 Cb -0.17 -1.70 0.04 0.00 0.10 0.00 0.00 34.13 32.40 1qya s GLU 108 CO 0.07 0.32 -0.08 0.21 0.02 0.00 0.00 175.26 175.80 1qya s LYS 109 N -0.12 2.68 -0.09 1.61 2.20 -1.26 -0.85 119.74 123.91 1qya s LYS 109 Ca -0.01 -1.07 0.03 0.00 -0.36 0.00 0.00 55.97 54.55 1qya s LYS 109 Cb -0.11 -2.95 0.01 0.00 -1.51 0.00 0.00 37.83 33.27 1qya s LYS 109 CO 0.02 -0.44 -0.17 -1.01 -0.36 0.00 0.00 175.35 173.39 1qya s HIS 110 N 1.27 1.97 -1.30 4.03 0.09 -0.52 -4.87 115.29 115.96 1qya s HIS 110 Ca -0.02 -0.84 -0.07 0.00 -0.00 0.00 0.00 55.06 54.13 1qya s HIS 110 Cb -0.17 -1.39 0.01 0.00 -0.00 0.00 0.00 32.58 31.03 1qya s HIS 110 CO -0.05 -0.40 1.13 0.09 -0.00 0.00 0.00 174.74 175.51 1qya n ASN 111 N 3.89 -5.65 -1.85 1.40 4.13 -1.26 -1.58 115.26 114.34 1qya n ASN 111 Ca -0.20 -0.54 -0.18 0.00 1.68 0.00 0.00 54.58 55.34 1qya n ASN 111 Cb 0.52 -4.94 -0.05 0.00 -1.54 0.00 0.00 39.78 33.77 1qya n ASN 111 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1qya n ASP 112 N -2.93 -4.99 -4.41 6.41 9.92 -1.26 -4.99 116.55 114.29 1qya n ASP 112 Ca -0.03 0.30 -0.20 0.00 -0.53 0.00 0.00 54.79 54.33 1qya n ASP 112 Cb 0.57 -4.36 -0.10 0.00 -0.64 0.00 0.00 41.12 36.59 1qya n ASP 112 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1qya s ASP 113 N -2.36 2.62 0.03 -2.24 -1.08 -0.61 -5.14 116.67 107.88 1qya s ASP 113 Ca 0.00 -1.17 0.07 0.00 -0.52 0.00 0.00 52.55 50.93 1qya s ASP 113 Cb 0.00 -0.14 -0.02 0.00 -1.46 0.00 0.00 42.92 41.30 1qya s ASP 113 CO 0.00 -0.34 -0.21 -0.31 0.52 0.00 0.00 175.17 174.83 1qya s TYR 114 N -3.06 1.82 -0.06 -5.34 2.02 -1.26 -1.44 117.35 110.04 1qya s TYR 114 Ca 0.28 -0.37 0.06 0.00 -0.37 0.00 0.00 57.07 56.67 1qya s TYR 114 Cb 0.03 -1.10 -0.01 0.00 -0.40 0.00 0.00 41.96 40.48 1qya s TYR 114 CO 0.11 0.07 -0.24 0.50 -1.57 0.00 0.00 175.55 174.42 1qya s ARG 115 N -1.07 2.57 -0.12 -0.62 3.52 -0.03 -4.49 118.95 118.71 1qya s ARG 115 Ca 0.08 -0.88 0.01 0.00 -0.13 0.00 0.00 55.73 54.80 1qya s ARG 115 Cb -0.09 -2.19 -0.01 0.00 -1.56 0.00 0.00 34.95 31.10 1qya s ARG 115 CO 0.01 0.40 -0.15 0.42 -0.81 0.00 0.00 175.30 175.17 1qya s ILE 116 N -0.19 2.91 -0.10 4.11 -1.09 -0.42 -1.17 121.20 125.26 1qya s ILE 116 Ca -0.03 -0.71 0.04 0.00 -2.23 0.00 0.00 60.65 57.72 1qya s ILE 116 Cb -0.14 -2.21 -0.01 0.00 -1.58 0.00 0.00 42.46 38.53 1qya s ILE 116 CO 0.03 0.53 -0.22 -0.44 -1.23 0.00 0.00 174.94 173.62 1qya s SER 117 N 0.31 3.30 -0.15 3.58 0.01 0.40 -1.86 113.70 119.29 1qya s SER 117 Ca -0.11 -0.49 0.01 0.00 1.31 0.00 0.00 55.95 56.67 1qya s SER 117 Cb -0.16 -1.33 0.00 0.00 0.21 0.00 0.00 66.02 64.74 1qya s SER 117 CO 0.06 0.18 -0.18 -0.76 0.41 0.00 0.00 173.24 172.95 1qya s LEU 118 N 0.22 2.32 -0.05 2.44 1.43 0.63 -0.75 118.68 124.93 1qya s LEU 118 Ca -0.14 -0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 52.14 1qya s LEU 118 Cb -0.17 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 1qya s LEU 118 CO 0.07 0.09 1.02 -0.70 0.23 0.00 0.00 176.35 177.06 1qya s GLU 119 N 0.78 4.47 0.73 1.70 2.12 -0.75 -1.46 118.70 126.30 1qya s GLU 119 Ca -0.07 1.45 -0.01 0.00 0.36 0.00 0.00 54.97 56.70 1qya s GLU 119 Cb -0.16 -3.50 0.15 0.00 0.26 0.00 0.00 34.13 30.88 1qya s GLU 119 CO -0.00 -0.21 1.00 1.04 -0.54 0.00 0.00 175.26 176.55 1qya n GLN 120 N 4.51 -0.18 -1.84 4.30 6.02 -0.05 -4.63 117.38 125.51 1qya n GLN 120 Ca 0.08 -2.63 -0.28 0.00 -0.01 0.00 0.00 57.00 54.15 1qya n GLN 120 Cb 0.49 -0.70 0.20 0.00 1.02 0.00 0.00 30.24 31.25 1qya n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qya n GLY 121 N -2.61 -1.49 3.68 1.08 0.00 -0.42 -4.70 105.19 100.74 1qya n GLY 121 Ca 0.16 -1.71 -0.45 0.00 0.00 0.00 0.00 46.02 44.02 1qya n GLY 121 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1qya n THR 122 N -3.77 0.29 -1.97 2.61 -1.04 -1.26 -4.64 114.28 104.50 1qya n THR 122 Ca 0.16 -0.05 -0.40 0.00 -2.04 0.00 0.00 64.05 61.71 1qya n THR 122 Cb 0.56 -1.82 -0.01 0.00 -1.82 0.00 0.00 70.33 67.24 1qya n THR 122 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1qya s PRO 123 N 2.41 4.14 0.13 -2.82 0.02 -1.26 -4.44 135.00 133.18 1qya s PRO 123 Ca 0.84 2.35 -0.15 0.00 0.02 0.00 0.00 61.00 64.05 1qya s PRO 123 Cb -0.62 -2.94 0.03 0.00 0.02 0.00 0.00 34.50 30.99 1qya s PRO 123 CO 0.42 -0.42 0.39 0.20 -0.33 0.00 0.00 177.00 177.26 1qya s GLY 124 N -0.41 -0.21 0.02 0.52 0.00 -0.54 -5.01 107.32 101.68 1qya s GLY 124 Ca 0.53 -0.13 0.01 0.00 0.00 0.00 0.00 44.72 45.13 1qya s GLY 124 CO 0.56 -0.35 -0.03 -1.36 0.00 0.00 0.00 173.10 171.91 1qya s PHE 125 N -3.82 0.29 0.24 1.90 0.08 -1.26 -1.34 117.98 114.07 1qya s PHE 125 Ca 0.04 -0.31 0.05 0.00 0.12 0.00 0.00 56.93 56.83 1qya s PHE 125 Cb 0.02 -0.19 -0.03 0.00 -0.57 0.00 0.00 43.02 42.25 1qya s PHE 125 CO -0.11 -0.09 0.35 -1.21 -0.10 0.00 0.00 175.22 174.06 1qya s GLU 126 N -0.88 3.42 0.39 0.44 2.02 -0.67 -5.02 118.70 118.38 1qya s GLU 126 Ca -0.08 -0.77 -0.26 0.00 0.02 0.00 0.00 54.97 53.89 1qya s GLU 126 Cb -0.06 -2.88 -0.11 0.00 0.10 0.00 0.00 34.13 31.18 1qya s GLU 126 CO -0.00 0.43 1.06 -2.30 0.02 0.00 0.00 175.26 174.47 1qya n PRO 127 N -1.36 1.50 -1.63 0.39 -0.02 -1.26 -4.52 135.00 128.10 1qya n PRO 127 Ca -0.09 0.53 -0.41 0.00 -2.02 0.00 0.00 63.50 61.52 1qya n PRO 127 Cb 0.57 -2.07 0.02 0.00 -0.02 0.00 0.00 33.50 32.00 1qya n PRO 127 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1qya n PRO 128 N 0.30 1.39 -2.95 0.52 -0.02 -1.26 -4.67 135.00 128.30 1qya n PRO 128 Ca 0.09 0.50 -0.42 0.00 -2.02 0.00 0.00 63.50 61.65 1qya n PRO 128 Cb 0.37 -2.14 -0.05 0.00 -0.02 0.00 0.00 33.50 31.67 1qya n PRO 128 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1qya s LEU 129 N -1.06 4.10 0.37 2.45 1.43 0.08 -5.01 118.68 121.05 1qya s LEU 129 Ca 0.65 0.49 0.06 0.00 -1.03 0.00 0.00 54.13 54.30 1qya s LEU 129 Cb -0.52 -3.06 -0.07 0.00 0.03 0.00 0.00 46.19 42.57 1qya s LEU 129 CO 0.55 -0.69 0.01 -1.61 0.23 0.00 0.00 176.35 174.85 1qya s GLU 130 N 3.06 1.83 7.13 1.70 2.02 -1.26 -4.26 118.70 128.92 1qya s GLU 130 Ca 0.32 -2.02 0.00 0.00 0.02 0.00 0.00 54.97 53.29 1qya s GLU 130 Cb -0.13 -1.38 0.00 0.00 0.10 0.00 0.00 34.13 32.72 1qya s GLU 130 CO 0.15 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.77 1qya n GLY 131 N -0.84 3.06 0.26 -1.39 0.00 -1.26 -2.93 105.19 102.08 1qya n GLY 131 Ca -0.04 -0.25 0.05 0.00 0.00 0.00 0.00 46.02 45.78 1qya n GLY 131 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1qya h GLU 132 N 0.00 0.18 -0.30 1.61 5.08 -1.98 -1.61 114.58 117.57 1qya h GLU 132 Ca 0.00 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1qya h GLU 132 Cb 0.00 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1qya h GLU 132 CO 0.00 0.21 -0.17 1.15 -1.00 0.00 0.00 179.01 179.21 1qya h THR 133 N 0.18 1.30 -0.08 1.13 2.02 -1.90 0.20 112.91 115.76 1qya h THR 133 Ca 0.04 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 65.95 1qya h THR 133 Cb 0.15 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1qya h THR 133 CO 0.00 0.41 0.05 -0.09 0.37 0.00 0.00 175.52 176.26 1qya h ARG 134 N 0.38 0.10 -0.29 6.66 2.43 -1.47 -1.96 114.38 120.23 1qya h ARG 134 Ca 0.06 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 1qya h ARG 134 Cb 0.70 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 1qya h ARG 134 CO 0.05 0.07 -0.04 0.00 -1.51 0.00 0.00 179.97 178.54 1qya h ALA 135 N 1.04 1.40 -0.50 2.80 0.00 -1.25 -1.03 119.26 121.71 1qya h ALA 135 Ca 0.03 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1qya h ALA 135 Cb -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1qya h ALA 135 CO -0.01 0.42 -0.06 0.00 0.00 0.00 0.00 179.25 179.60 1qya h ALA 136 N 1.53 0.96 -0.13 0.00 0.00 -0.67 -0.38 119.26 120.56 1qya h ALA 136 Ca 0.09 -0.31 -0.20 0.00 0.00 0.00 0.00 54.91 54.49 1qya h ALA 136 Cb 0.34 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1qya h ALA 136 CO 0.01 0.62 -0.71 0.82 0.00 0.00 0.00 179.25 180.00 1qya h ILE 137 N 0.81 1.30 -0.02 0.00 2.04 -0.74 -1.76 117.51 119.14 1qya h ILE 137 Ca 0.14 -1.94 -0.00 0.00 1.00 0.00 0.00 64.86 64.06 1qya h ILE 137 Cb 0.56 2.06 -0.00 0.00 -0.74 0.00 0.00 36.82 38.70 1qya h ILE 137 CO 0.03 0.61 0.01 0.40 0.00 0.00 0.00 178.15 179.20 1qya h ILE 138 N 0.41 1.09 -0.24 -0.67 2.04 -1.16 -2.78 117.51 116.19 1qya h ILE 138 Ca -0.05 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1qya h ILE 138 Cb 1.35 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 1qya h ILE 138 CO 0.15 0.07 0.09 -1.13 0.00 0.00 0.00 178.15 177.32 1qya h ASN 139 N -0.07 0.30 0.56 1.72 -1.24 -1.08 -1.94 115.58 113.84 1qya h ASN 139 Ca 0.01 -0.02 -0.07 0.00 0.71 0.00 0.00 56.30 56.93 1qya h ASN 139 Cb 0.10 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.06 1qya h ASN 139 CO -0.00 0.29 -0.32 0.00 -1.29 0.00 0.00 177.43 176.11 1qya h ALA 140 N 1.76 1.20 -0.01 1.57 0.00 -1.06 -1.36 119.26 121.36 1qya h ALA 140 Ca 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1qya h ALA 140 Cb 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1qya h ALA 140 CO -0.01 0.40 -0.05 1.28 0.00 0.00 0.00 179.25 180.87 1qya n LEU 141 N -3.76 1.21 -2.33 0.00 4.77 -0.98 -1.03 117.00 114.88 1qya n LEU 141 Ca -0.01 -0.38 -0.16 0.00 -0.03 0.00 0.00 56.01 55.43 1qya n LEU 141 Cb 0.41 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.50 1qya n LEU 141 CO 0.36 0.21 0.05 1.41 -1.33 0.00 0.00 177.39 178.08 1qya n HIS 142 N -0.14 -1.56 -3.96 -1.77 8.25 -0.51 -4.66 115.22 110.87 1qya n HIS 142 Ca 0.18 0.46 -0.16 0.00 -0.26 0.00 0.00 57.72 57.95 1qya n HIS 142 Cb 0.32 -3.59 -0.01 0.00 1.12 0.00 0.00 29.99 27.84 1qya n HIS 142 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1qya n LEU 143 N -3.13 0.00 -4.43 2.41 4.77 -0.76 -5.02 117.00 110.84 1qya n LEU 143 Ca -0.06 -1.66 -0.23 0.00 -0.03 0.00 0.00 56.01 54.03 1qya n LEU 143 Cb 0.57 0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.64 1qya n LEU 143 CO 0.37 -0.38 -0.17 0.42 -1.33 0.00 0.00 177.39 176.30 1qya s THR 144 N -1.68 0.40 0.42 -5.08 -4.23 -1.26 -4.28 115.64 99.93 1qya s THR 144 Ca 0.11 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.74 1qya s THR 144 Cb -0.01 -2.40 0.31 0.00 1.34 0.00 0.00 72.50 71.74 1qya s THR 144 CO 0.07 0.00 2.00 -0.33 -0.54 0.00 0.00 174.62 175.82 1qya h GLU 145 N 1.92 0.45 0.00 3.99 4.39 -1.97 -1.43 114.58 121.94 1qya h GLU 145 Ca -0.32 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1qya h GLU 145 Cb 1.26 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1qya h GLU 145 CO 0.51 0.30 0.00 -3.47 -1.16 0.00 0.00 179.01 175.18 1qya n ASP 146 N -4.47 0.59 0.05 1.42 2.03 -1.26 -2.04 116.55 112.87 1qya n ASP 146 Ca 0.08 0.69 0.12 0.00 0.52 0.00 0.00 54.79 56.20 1qya n ASP 146 Cb 0.29 -0.80 0.28 0.00 -0.72 0.00 0.00 41.12 40.17 1qya n ASP 146 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1qya n ASP 147 N -2.20 0.61 -4.79 1.67 8.00 -0.54 -4.89 116.55 114.42 1qya n ASP 147 Ca 0.01 0.19 -0.39 0.00 0.71 0.00 0.00 54.79 55.31 1qya n ASP 147 Cb 0.15 -0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 41.11 1qya n ASP 147 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1qya s ILE 148 N -3.11 4.78 -0.11 0.53 -1.09 -0.86 -1.51 121.20 119.83 1qya s ILE 148 Ca 0.09 1.26 -0.35 0.00 -2.23 0.00 0.00 60.65 59.42 1qya s ILE 148 Cb 0.15 -3.93 -0.12 0.00 -1.58 0.00 0.00 42.46 36.97 1qya s ILE 148 CO 0.67 0.50 1.85 -0.11 -1.23 0.00 0.00 174.94 176.62 1qya n LEU 149 N 2.11 3.26 -4.76 2.97 7.94 -0.30 -4.69 117.00 123.53 1qya n LEU 149 Ca -0.09 0.99 -0.41 0.00 -1.11 0.00 0.00 56.01 55.39 1qya n LEU 149 Cb 0.51 -1.33 -0.00 0.00 0.53 0.00 0.00 43.42 43.12 1qya n LEU 149 CO 0.42 -0.12 1.07 -2.65 -1.11 0.00 0.00 177.39 175.01 1qya n PRO 150 N 6.35 2.52 -0.96 1.96 -0.02 -1.26 -3.04 135.00 140.54 1qya n PRO 150 Ca 0.23 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.59 1qya n PRO 150 Cb 0.27 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 1qya n PRO 150 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qya n GLY 151 N 0.53 0.49 3.42 -1.23 0.00 -1.26 -5.01 105.19 102.13 1qya n GLY 151 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1qya n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qya s LEU 152 N 0.00 2.43 0.39 0.99 1.43 -1.17 -5.14 118.68 117.61 1qya s LEU 152 Ca 0.00 -0.69 -0.09 0.00 -1.03 0.00 0.00 54.13 52.32 1qya s LEU 152 Cb 0.00 -1.32 -0.06 0.00 0.03 0.00 0.00 46.19 44.84 1qya s LEU 152 CO 0.00 0.18 0.74 -2.16 0.23 0.00 0.00 176.35 175.34 1qya s PRO 153 N -2.04 3.75 -0.05 1.29 0.04 -1.26 -4.91 135.00 131.81 1qya s PRO 153 Ca 0.15 0.39 -0.23 0.00 0.04 0.00 0.00 61.00 61.35 1qya s PRO 153 Cb -0.10 -2.43 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 1qya s PRO 153 CO 0.07 -0.00 0.68 0.42 0.04 0.00 0.00 177.00 178.21 1qya s ILE 154 N -2.34 5.02 -0.28 0.56 1.01 -1.26 -4.61 121.20 119.29 1qya s ILE 154 Ca 0.50 1.41 -0.23 0.00 0.00 0.00 0.00 60.65 62.33 1qya s ILE 154 Cb -0.10 -4.02 0.12 0.00 0.01 0.00 0.00 42.46 38.46 1qya s ILE 154 CO 0.32 0.28 0.96 -1.58 0.00 0.00 0.00 174.94 174.92 1qya s GLN 155 N 0.63 0.55 0.00 2.79 0.74 -1.00 -0.74 119.66 122.63 1qya s GLN 155 Ca 0.36 0.70 -0.30 0.00 0.05 0.00 0.00 55.36 56.17 1qya s GLN 155 Cb -0.18 0.24 -0.04 0.00 1.10 0.00 0.00 33.01 34.13 1qya s GLN 155 CO 0.18 -0.07 1.18 0.08 -0.55 0.00 0.00 175.29 176.11 1qya s VAL 156 N 0.46 4.21 0.17 1.34 1.01 -1.26 -0.60 120.40 125.73 1qya s VAL 156 Ca 0.01 1.57 0.09 0.00 0.00 0.00 0.00 61.98 63.64 1qya s VAL 156 Cb -0.05 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1qya s VAL 156 CO -0.07 0.07 -0.18 0.00 0.00 0.00 0.00 175.10 174.91 1qya s ALA 157 N 1.56 2.05 -0.07 5.51 0.00 -0.43 -1.68 121.76 128.72 1qya s ALA 157 Ca 0.57 -1.51 -0.14 0.00 0.00 0.00 0.00 51.96 50.87 1qya s ALA 157 Cb -0.27 -0.19 0.03 0.00 0.00 0.00 0.00 23.12 22.69 1qya s ALA 157 CO 0.26 0.24 0.34 -0.08 0.00 0.00 0.00 175.76 176.52 1qya s THR 158 N -2.08 0.03 -0.14 0.00 -1.32 -0.45 -1.50 115.64 110.18 1qya s THR 158 Ca 0.17 -0.26 0.15 0.00 -1.21 0.00 0.00 61.69 60.53 1qya s THR 158 Cb -0.06 -0.57 0.36 0.00 -1.51 0.00 0.00 72.50 70.72 1qya s THR 158 CO 0.07 -0.14 1.18 0.35 -2.21 0.00 0.00 174.62 173.86 1qya n THR 159 N 1.95 1.59 0.00 5.08 -2.24 -1.26 -1.46 114.28 117.94 1qya n THR 159 Ca -0.18 -2.40 0.00 0.00 -2.27 0.00 0.00 64.05 59.21 1qya n THR 159 Cb 0.57 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 1qya n THR 159 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qya n GLY 160 N -0.83 1.15 2.77 3.38 0.00 -1.26 -1.30 105.19 109.09 1qya n GLY 160 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 1qya n GLY 160 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qya s HIS 161 N -0.12 -0.32 0.57 1.61 3.76 -1.26 -5.10 115.29 114.43 1qya s HIS 161 Ca 0.00 -0.75 -0.21 0.00 -0.15 0.00 0.00 55.06 53.95 1qya s HIS 161 Cb 0.00 -0.41 -0.04 0.00 1.11 0.00 0.00 32.58 33.24 1qya s HIS 161 CO 0.00 -0.97 1.30 -1.54 -0.85 0.00 0.00 174.74 172.69 1qya s SER 162 N 1.53 5.20 0.01 1.40 1.04 -1.26 -4.75 113.70 116.86 1qya s SER 162 Ca 0.16 2.63 -0.02 0.00 0.48 0.00 0.00 55.95 59.20 1qya s SER 162 Cb -0.15 -2.62 -0.01 0.00 0.10 0.00 0.00 66.02 63.34 1qya s SER 162 CO -0.06 -1.61 0.03 -0.54 0.98 0.00 0.00 173.24 172.04 1qya s LYS 163 N -3.05 0.34 -0.31 4.02 -0.14 -0.56 -4.57 119.74 115.46 1qya s LYS 163 Ca 0.74 -0.46 -0.26 0.00 -1.36 0.00 0.00 55.97 54.62 1qya s LYS 163 Cb -0.37 0.13 0.01 0.00 -1.68 0.00 0.00 37.83 35.92 1qya s LYS 163 CO 0.42 -0.07 0.94 0.08 -0.76 0.00 0.00 175.35 175.97 1qya s VAL 164 N -1.26 4.65 -0.12 3.17 1.01 0.19 -1.31 120.40 126.73 1qya s VAL 164 Ca -0.14 1.49 -0.29 0.00 0.00 0.00 0.00 61.98 63.03 1qya s VAL 164 Cb -0.08 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 1qya s VAL 164 CO -0.00 -0.36 1.01 -0.04 0.00 0.00 0.00 175.10 175.72 1qya s MET 165 N 3.30 4.41 -0.38 2.72 -1.94 0.23 -0.27 119.30 127.37 1qya s MET 165 Ca 0.39 1.39 0.02 0.00 -1.71 0.00 0.00 55.69 55.78 1qya s MET 165 Cb -0.13 -3.55 0.11 0.00 2.01 0.00 0.00 34.83 33.27 1qya s MET 165 CO 0.13 -0.35 0.14 0.42 -0.01 0.00 0.00 175.02 175.36 1qya s ILE 166 N 2.12 1.54 -0.31 2.53 1.01 -0.72 -2.38 121.20 125.00 1qya s ILE 166 Ca 0.48 -2.15 -0.29 0.00 0.00 0.00 0.00 60.65 58.69 1qya s ILE 166 Cb -0.18 -2.12 0.01 0.00 0.01 0.00 0.00 42.46 40.18 1qya s ILE 166 CO 0.17 -0.73 1.12 -2.16 0.00 0.00 0.00 174.94 173.33 1qya s PRO 167 N 0.89 4.06 0.15 2.79 0.04 -1.26 -1.87 135.00 139.80 1qya s PRO 167 Ca 0.13 1.14 0.05 0.00 0.04 0.00 0.00 61.00 62.36 1qya s PRO 167 Cb -0.21 -3.76 -0.04 0.00 0.04 0.00 0.00 34.50 30.54 1qya s PRO 167 CO -0.11 -0.91 0.11 -0.51 0.04 0.00 0.00 177.00 175.61 1qya s LEU 168 N 3.73 3.74 0.56 -3.56 1.43 0.13 -1.16 118.68 123.56 1qya s LEU 168 Ca 0.47 -0.13 -0.20 0.00 -1.03 0.00 0.00 54.13 53.24 1qya s LEU 168 Cb -0.13 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 1qya s LEU 168 CO 0.16 0.09 1.22 -0.54 0.23 0.00 0.00 176.35 177.51 1qya s LYS 169 N -2.92 3.13 0.62 1.70 1.02 -0.57 -4.46 119.74 118.27 1qya s LYS 169 Ca 0.30 1.86 0.41 0.00 0.02 0.00 0.00 55.97 58.56 1qya s LYS 169 Cb -0.10 -2.04 2.15 0.00 -0.52 0.00 0.00 37.83 37.31 1qya s LYS 169 CO 0.22 -1.08 2.25 -1.00 -0.92 0.00 0.00 175.35 174.82 1qya h PRO 170 N 1.15 0.00 0.00 -1.68 0.13 -1.92 -2.49 132.00 127.19 1qya h PRO 170 Ca -0.50 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 1qya h PRO 170 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1qya h PRO 170 CO 0.56 0.00 -0.14 0.93 -0.23 0.00 0.00 178.00 179.12 1qya h GLU 171 N 0.00 0.00 -6.70 0.86 3.07 -1.96 -3.45 114.58 106.40 1qya h GLU 171 Ca 0.00 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.34 1qya h GLU 171 Cb 0.09 0.00 0.04 0.00 -0.84 0.00 0.00 28.75 28.05 1qya h GLU 171 CO 0.00 0.14 0.72 0.08 -1.40 0.00 0.00 179.01 178.55 1qya s VAL 172 N -3.55 2.93 -1.18 3.13 1.01 -0.94 -4.94 120.40 116.87 1qya s VAL 172 Ca 0.02 0.76 -0.19 0.00 0.00 0.00 0.00 61.98 62.57 1qya s VAL 172 Cb 0.09 -3.49 0.08 0.00 0.00 0.00 0.00 36.38 33.06 1qya s VAL 172 CO 0.62 0.11 1.58 -0.62 0.00 0.00 0.00 175.10 176.79 1qya s ASP 173 N 0.43 6.74 0.38 3.32 -1.08 -1.26 -4.84 116.67 120.36 1qya s ASP 173 Ca 0.59 -2.15 0.09 0.00 -0.52 0.00 0.00 52.55 50.57 1qya s ASP 173 Cb -0.39 -2.55 0.76 0.00 -1.46 0.00 0.00 42.92 39.28 1qya s ASP 173 CO 0.40 -1.24 1.91 -0.29 0.52 0.00 0.00 175.17 176.46 1qya h ILE 174 N 5.91 1.18 0.00 4.11 2.10 -1.94 -1.91 117.51 126.96 1qya h ILE 174 Ca 0.34 -0.81 -0.04 0.00 1.08 0.00 0.00 64.86 65.43 1qya h ILE 174 Cb 0.93 1.22 -0.01 0.00 -1.09 0.00 0.00 36.82 37.87 1qya h ILE 174 CO 1.41 0.25 -0.18 0.44 -1.08 0.00 0.00 178.15 178.99 1qya h ASP 175 N 0.23 0.00 0.91 2.19 5.19 -1.99 -3.00 116.42 119.96 1qya h ASP 175 Ca 0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1qya h ASP 175 Cb 0.39 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.90 1qya h ASP 175 CO 0.02 0.18 -0.20 0.00 -3.12 0.00 0.00 179.24 176.12 1qya n ALA 176 N -2.24 2.72 -1.66 3.45 0.00 -0.72 -4.90 120.51 117.16 1qya n ALA 176 Ca -0.01 -0.17 -0.46 0.00 0.00 0.00 0.00 53.44 52.80 1qya n ALA 176 Cb 0.35 -1.34 -0.04 0.00 0.00 0.00 0.00 19.45 18.42 1qya n ALA 176 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1qya n LEU 177 N -1.67 2.99 -3.40 0.00 4.77 -1.14 -4.96 117.00 113.60 1qya n LEU 177 Ca 0.06 1.11 -0.27 0.00 -0.03 0.00 0.00 56.01 56.88 1qya n LEU 177 Cb 0.36 -1.41 -0.10 0.00 -2.33 0.00 0.00 43.42 39.94 1qya n LEU 177 CO 0.31 -0.43 -0.32 -0.55 -1.33 0.00 0.00 177.39 175.07 1qya s SER 178 N 0.62 1.71 0.58 -1.43 0.15 -1.26 -5.11 113.70 108.95 1qya s SER 178 Ca 0.75 -2.86 -0.19 0.00 0.70 0.00 0.00 55.95 54.34 1qya s SER 178 Cb -0.69 -0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 63.18 1qya s SER 178 CO 0.43 -0.20 1.20 -2.84 1.20 0.00 0.00 173.24 173.03 1qya s PRO 179 N 0.29 3.05 -0.56 5.44 0.02 -1.26 -4.91 135.00 137.07 1qya s PRO 179 Ca 0.30 1.80 -0.27 0.00 0.02 0.00 0.00 61.00 62.85 1qya s PRO 179 Cb -0.02 -1.96 -0.02 0.00 0.02 0.00 0.00 34.50 32.53 1qya s PRO 179 CO -0.15 -1.14 1.81 0.34 -0.33 0.00 0.00 177.00 177.54 1qya s ASP 180 N -1.60 5.44 0.14 2.53 -1.08 -0.20 -4.88 116.67 117.02 1qya s ASP 180 Ca 0.76 0.49 -0.09 0.00 -0.52 0.00 0.00 52.55 53.20 1qya s ASP 180 Cb -0.30 -2.53 -0.05 0.00 -1.46 0.00 0.00 42.92 38.58 1qya s ASP 180 CO 0.32 -2.21 1.40 -0.07 0.52 0.00 0.00 175.17 175.13 1qya h LEU 181 N 15.71 0.85 -0.95 -1.34 3.38 -1.92 -2.19 115.31 128.86 1qya h LEU 181 Ca -0.27 -0.50 0.04 0.00 0.09 0.00 0.00 57.88 57.24 1qya h LEU 181 Cb 1.16 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.60 1qya h LEU 181 CO 1.18 1.28 0.62 0.78 0.09 0.00 0.00 178.44 182.39 1qya h ASN 182 N 0.55 1.03 -0.52 -0.43 2.35 -1.99 -1.46 115.58 115.11 1qya h ASN 182 Ca -0.01 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.62 1qya h ASN 182 Cb 1.24 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.36 1qya h ASN 182 CO 0.13 0.71 -0.08 0.00 -1.65 0.00 0.00 177.43 176.54 1qya h ALA 183 N 1.39 0.83 -0.55 -0.83 0.00 -1.90 -1.40 119.26 116.80 1qya h ALA 183 Ca 0.38 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1qya h ALA 183 Cb 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1qya h ALA 183 CO -0.12 0.66 0.23 -0.07 0.00 0.00 0.00 179.25 179.95 1qya h LEU 184 N 0.90 0.75 -0.75 0.00 3.38 -1.18 -1.58 115.31 116.82 1qya h LEU 184 Ca 0.15 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1qya h LEU 184 Cb 0.63 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1qya h LEU 184 CO 0.04 0.70 0.41 0.74 0.09 0.00 0.00 178.44 180.42 1qya h THR 185 N 0.74 1.23 -0.69 0.22 2.02 -1.04 0.33 112.91 115.73 1qya h THR 185 Ca 0.18 -0.58 -0.06 0.00 0.77 0.00 0.00 66.41 66.73 1qya h THR 185 Cb 0.18 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 1qya h THR 185 CO -0.02 0.25 0.20 0.00 0.37 0.00 0.00 175.52 176.33 1qya h ALA 186 N 1.21 1.07 -0.56 6.16 0.00 -0.98 -2.64 119.26 123.51 1qya h ALA 186 Ca 0.26 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1qya h ALA 186 Cb 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1qya h ALA 186 CO -0.04 0.63 -0.09 0.82 0.00 0.00 0.00 179.25 180.57 1qya h ILE 187 N 1.02 1.27 -0.77 0.00 2.04 -0.84 -2.93 117.51 117.29 1qya h ILE 187 Ca 0.22 -1.25 0.13 0.00 1.00 0.00 0.00 64.86 64.96 1qya h ILE 187 Cb 0.30 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 1qya h ILE 187 CO -0.01 0.45 0.51 0.28 0.00 0.00 0.00 178.15 179.38 1qya h SER 188 N 0.94 0.51 0.96 1.72 0.02 -0.58 -0.81 113.55 116.31 1qya h SER 188 Ca 0.15 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 61.01 1qya h SER 188 Cb 0.66 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 1qya h SER 188 CO 0.05 0.28 -0.52 0.11 -1.14 0.00 0.00 176.83 175.61 1qya h LYS 189 N 0.56 0.00 0.02 3.45 1.57 -1.33 -1.57 116.57 119.26 1qya h LYS 189 Ca 0.37 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.92 1qya h LYS 189 Cb 0.67 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 1qya h LYS 189 CO -0.14 0.52 -1.11 0.87 -0.57 0.00 0.00 179.45 179.02 1qya h LYS 190 N 0.00 0.04 -0.00 3.15 1.57 -1.15 -3.39 116.57 116.79 1qya h LYS 190 Ca -0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1qya h LYS 190 Cb 1.14 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1qya h LYS 190 CO 0.07 0.99 -0.44 0.44 -0.57 0.00 0.00 179.45 179.94 1qya n ILE 191 N -3.35 0.00 -3.08 1.86 -5.35 -0.55 -5.00 119.36 103.88 1qya n ILE 191 Ca -0.03 -0.28 -0.13 0.00 -0.27 0.00 0.00 62.75 62.03 1qya n ILE 191 Cb 0.96 1.05 0.05 0.00 -1.74 0.00 0.00 39.64 39.96 1qya n ILE 191 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qya n GLY 192 N 1.17 0.03 3.29 3.28 0.00 -0.60 -5.04 105.19 107.32 1qya n GLY 192 Ca 0.03 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 1qya n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qya n ASN 194 N 3.83 1.72 -4.18 0.00 3.02 -1.26 -4.31 115.26 114.07 1qya n ASN 194 Ca -0.20 -1.35 -0.31 0.00 -0.03 0.00 0.00 54.58 52.68 1qya n ASN 194 Cb 0.56 0.62 -0.17 0.00 -0.61 0.00 0.00 39.78 40.18 1qya n ASN 194 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1qya s GLY 195 N -2.63 1.26 -0.11 7.41 0.00 -1.26 -4.28 107.32 107.71 1qya s GLY 195 Ca 0.15 -0.91 0.02 0.00 0.00 0.00 0.00 44.72 43.98 1qya s GLY 195 CO 0.66 -0.22 -0.19 -1.36 0.00 0.00 0.00 173.10 171.99 1qya s PHE 196 N 0.46 2.67 -0.58 1.90 0.40 0.12 -0.64 117.98 122.32 1qya s PHE 196 Ca -0.16 -0.84 0.05 0.00 -0.60 0.00 0.00 56.93 55.37 1qya s PHE 196 Cb -0.17 -1.76 0.19 0.00 0.51 0.00 0.00 43.02 41.78 1qya s PHE 196 CO 0.07 -0.31 0.48 0.34 0.70 0.00 0.00 175.22 176.50 1qya n PHE 197 N 3.48 1.69 -1.92 0.36 7.35 0.63 -0.71 117.46 128.34 1qya n PHE 197 Ca -0.19 -3.91 -0.41 0.00 -0.76 0.00 0.00 57.45 52.18 1qya n PHE 197 Cb 0.53 -0.31 -0.02 0.00 0.35 0.00 0.00 39.48 40.02 1qya n PHE 197 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1qya s PRO 198 N -1.10 4.21 0.11 -7.13 0.04 -1.18 -1.75 135.00 128.20 1qya s PRO 198 Ca 0.30 2.41 -0.10 0.00 0.04 0.00 0.00 61.00 63.65 1qya s PRO 198 Cb 0.03 -3.08 0.01 0.00 0.04 0.00 0.00 34.50 31.49 1qya s PRO 198 CO -0.15 -0.51 0.25 -0.59 0.04 0.00 0.00 177.00 176.03 1qya s PHE 199 N 0.10 0.10 0.10 0.56 -0.71 -0.78 -1.53 117.98 115.82 1qya s PHE 199 Ca 0.62 -0.50 0.00 0.00 -1.04 0.00 0.00 56.93 56.01 1qya s PHE 199 Cb -0.44 0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.34 1qya s PHE 199 CO 0.44 -0.61 -0.02 1.14 -1.34 0.00 0.00 175.22 174.83 1qya s GLN 200 N -3.86 0.83 -0.16 1.99 -2.07 -0.16 -0.70 119.66 115.53 1qya s GLN 200 Ca 0.06 -1.36 -0.05 0.00 -1.82 0.00 0.00 55.36 52.20 1qya s GLN 200 Cb 0.04 -0.02 -0.03 0.00 -1.09 0.00 0.00 33.01 31.91 1qya s GLN 200 CO -0.10 -0.11 0.00 0.42 -1.32 0.00 0.00 175.29 174.19 1qya s ILE 201 N -3.79 4.24 0.08 3.63 1.01 -1.26 -1.38 121.20 123.73 1qya s ILE 201 Ca 0.15 -0.23 -0.31 0.00 0.00 0.00 0.00 60.65 60.26 1qya s ILE 201 Cb 0.07 -2.88 -0.08 0.00 0.01 0.00 0.00 42.46 39.58 1qya s ILE 201 CO -0.04 0.48 1.55 -0.13 0.00 0.00 0.00 174.94 176.81 1qya s ARG 202 N 0.35 4.23 -0.17 2.79 0.52 -0.09 -4.68 118.95 121.90 1qya s ARG 202 Ca -0.01 2.23 -0.40 0.00 -0.52 0.00 0.00 55.73 57.02 1qya s ARG 202 Cb -0.13 -3.47 -0.17 0.00 0.52 0.00 0.00 34.95 31.70 1qya s ARG 202 CO 0.02 -0.64 1.56 -2.30 0.02 0.00 0.00 175.30 173.96 1qya n PRO 203 N 5.05 0.94 -1.11 3.54 -0.02 -1.26 -1.64 135.00 140.49 1qya n PRO 203 Ca 0.14 0.34 -0.04 0.00 -2.02 0.00 0.00 63.50 61.93 1qya n PRO 203 Cb 0.41 -1.98 -0.02 0.00 -0.02 0.00 0.00 33.50 31.89 1qya n PRO 203 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qya n GLY 204 N 3.48 0.59 3.12 -1.23 0.00 -1.26 -5.00 105.19 104.89 1qya n GLY 204 Ca 0.24 -0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 1qya n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qya s LYS 205 N -1.72 0.83 -1.47 1.61 1.02 -0.65 -5.03 119.74 114.32 1qya s LYS 205 Ca 0.00 -0.74 -0.08 0.00 0.02 0.00 0.00 55.97 55.17 1qya s LYS 205 Cb 0.00 -0.80 0.02 0.00 -0.52 0.00 0.00 37.83 36.54 1qya s LYS 205 CO 0.00 0.19 2.60 0.09 -0.92 0.00 0.00 175.35 177.31 1qya n ASN 206 N 1.84 7.91 -3.84 2.83 3.02 -1.26 -4.51 115.26 121.25 1qya n ASN 206 Ca -0.19 -2.87 -0.12 0.00 -0.03 0.00 0.00 54.58 51.38 1qya n ASN 206 Cb 0.55 -1.48 -0.11 0.00 -0.61 0.00 0.00 39.78 38.13 1qya n ASN 206 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1qya s GLU 207 N 0.71 0.37 0.13 3.52 2.02 -1.26 -1.36 118.70 122.83 1qya s GLU 207 Ca 0.60 -0.12 0.02 0.00 0.02 0.00 0.00 54.97 55.49 1qya s GLU 207 Cb 0.17 0.16 -0.04 0.00 0.10 0.00 0.00 34.13 34.52 1qya s GLU 207 CO -0.07 -0.08 -0.04 0.95 0.02 0.00 0.00 175.26 176.05 1qya s THR 208 N -0.74 0.70 -0.07 3.63 -4.23 -0.67 -0.91 115.64 113.34 1qya s THR 208 Ca -0.08 -1.96 0.02 0.00 -1.18 0.00 0.00 61.69 58.48 1qya s THR 208 Cb -0.05 -1.89 0.02 0.00 1.34 0.00 0.00 72.50 71.91 1qya s THR 208 CO 0.01 -0.68 -0.12 -1.81 -0.54 0.00 0.00 174.62 171.48 1qya s ASP 209 N -3.11 1.85 0.21 3.99 1.01 -0.48 -0.36 116.67 119.77 1qya s ASP 209 Ca 0.18 -0.30 -0.01 0.00 0.71 0.00 0.00 52.55 53.12 1qya s ASP 209 Cb 0.05 -0.83 -0.04 0.00 1.01 0.00 0.00 42.92 43.11 1qya s ASP 209 CO -0.00 0.01 0.15 -0.83 0.21 0.00 0.00 175.17 174.71 1qya s GLY 210 N 0.83 1.42 -0.01 0.21 0.00 -0.66 -0.98 107.32 108.12 1qya s GLY 210 Ca -0.11 -1.67 -0.02 0.00 0.00 0.00 0.00 44.72 42.92 1qya s GLY 210 CO 0.02 -1.36 0.05 0.50 0.00 0.00 0.00 173.10 172.31 1qya s ARG 211 N -4.14 0.15 -0.27 2.90 0.52 -0.58 -4.01 118.95 113.52 1qya s ARG 211 Ca 0.38 -0.08 0.03 0.00 -0.52 0.00 0.00 55.73 55.54 1qya s ARG 211 Cb 0.07 0.06 0.06 0.00 0.52 0.00 0.00 34.95 35.66 1qya s ARG 211 CO 0.12 -0.03 -0.09 1.41 0.02 0.00 0.00 175.30 176.74 1qya s MET 212 N -0.37 2.12 -0.17 3.54 1.75 -1.26 -3.07 119.30 121.83 1qya s MET 212 Ca -0.04 -1.40 -0.07 0.00 -1.25 0.00 0.00 55.69 52.93 1qya s MET 212 Cb -0.03 -2.91 -0.04 0.00 2.84 0.00 0.00 34.83 34.69 1qya s MET 212 CO 0.00 -0.62 0.07 -0.06 -0.65 0.00 0.00 175.02 173.76 1qya s PHE 213 N 1.09 3.27 -0.39 4.11 0.08 0.11 -2.18 117.98 124.07 1qya s PHE 213 Ca -0.06 0.12 0.10 0.00 0.12 0.00 0.00 56.93 57.20 1qya s PHE 213 Cb -0.20 -2.06 0.32 0.00 -0.57 0.00 0.00 43.02 40.52 1qya s PHE 213 CO -0.05 0.21 0.77 -1.13 -0.10 0.00 0.00 175.22 174.92 1qya n SER 214 N 3.37 -0.02 0.29 1.36 3.41 -0.89 -0.70 113.62 120.45 1qya n SER 214 Ca -0.17 -3.10 0.18 0.00 -0.26 0.00 0.00 58.87 55.52 1qya n SER 214 Cb 0.52 -0.05 0.90 0.00 -0.26 0.00 0.00 64.21 65.32 1qya n SER 214 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1qya h PRO 215 N 3.20 0.00 0.00 4.33 0.13 -1.74 -2.83 132.00 135.09 1qya h PRO 215 Ca 0.05 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.13 1qya h PRO 215 Cb 0.98 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1qya h PRO 215 CO 0.42 0.04 -0.23 0.00 -0.23 0.00 0.00 178.00 178.00 1qya h ALA 216 N 1.96 1.47 -0.51 -0.56 0.00 -1.88 -2.71 119.26 117.03 1qya h ALA 216 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1qya h ALA 216 Cb 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1qya h ALA 216 CO 0.01 0.28 0.00 0.44 0.00 0.00 0.00 179.25 179.98 1qya n ILE 217 N -4.05 1.27 -0.22 0.00 -5.35 -1.08 -4.97 119.36 104.97 1qya n ILE 217 Ca -0.02 -1.12 0.00 0.00 -0.27 0.00 0.00 62.75 61.34 1qya n ILE 217 Cb 0.30 0.37 0.00 0.00 -1.74 0.00 0.00 39.64 38.56 1qya n ILE 217 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qya n GLY 218 N 0.87 1.05 3.36 3.28 0.00 -1.02 -5.01 105.19 107.71 1qya n GLY 218 Ca 0.19 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.76 1qya n GLY 218 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qya s ILE 219 N -2.66 5.16 0.07 -0.61 -1.09 -1.16 -4.96 121.20 115.94 1qya s ILE 219 Ca 0.00 -1.21 -0.30 0.00 -2.23 0.00 0.00 60.65 56.90 1qya s ILE 219 Cb 0.00 -4.26 -0.18 0.00 -1.58 0.00 0.00 42.46 36.44 1qya s ILE 219 CO 0.00 -0.77 1.61 0.58 -1.23 0.00 0.00 174.94 175.13 1qya h VAL 220 N 5.84 0.49 -3.20 2.92 2.07 -1.91 -2.56 116.25 119.89 1qya h VAL 220 Ca -0.29 -0.05 -0.28 0.00 0.82 0.00 0.00 66.70 66.90 1qya h VAL 220 Cb 1.10 0.52 -0.34 0.00 -1.52 0.00 0.00 31.29 31.05 1qya h VAL 220 CO 0.98 0.01 -0.63 -0.70 0.02 0.00 0.00 177.57 177.24 1qya s GLU 221 N -5.95 0.05 -0.11 1.57 2.12 -1.26 -2.10 118.70 113.02 1qya s GLU 221 Ca -0.16 0.45 -0.22 0.00 0.36 0.00 0.00 54.97 55.39 1qya s GLU 221 Cb 0.04 -0.24 -0.03 0.00 0.26 0.00 0.00 34.13 34.15 1qya s GLU 221 CO 0.62 -0.24 0.65 0.34 -0.54 0.00 0.00 175.26 176.09 1qya s ASP 222 N 1.71 6.87 0.10 -1.70 2.15 -0.93 -5.01 116.67 119.87 1qya s ASP 222 Ca -0.03 1.05 -0.25 0.00 0.43 0.00 0.00 52.55 53.75 1qya s ASP 222 Cb -0.12 -2.38 -0.10 0.00 -0.30 0.00 0.00 42.92 40.02 1qya s ASP 222 CO -0.06 -0.13 1.69 -0.65 -0.17 0.00 0.00 175.17 175.85 1qya h PRO 223 N 6.90 -0.24 -2.99 4.34 0.11 -1.90 -3.39 132.00 134.83 1qya h PRO 223 Ca -0.39 0.02 -0.29 0.00 0.11 0.00 0.00 66.00 65.45 1qya h PRO 223 Cb 1.18 0.05 -0.36 0.00 0.11 0.00 0.00 31.00 31.99 1qya h PRO 223 CO 0.76 -0.16 -0.63 0.08 -0.21 0.00 0.00 178.00 177.85 1qya s VAL 224 N -6.14 -0.28 -0.28 3.15 1.01 -1.26 -2.40 120.40 114.19 1qya s VAL 224 Ca -0.14 0.28 0.03 0.00 0.00 0.00 0.00 61.98 62.14 1qya s VAL 224 Cb 0.07 -0.37 0.07 0.00 0.00 0.00 0.00 36.38 36.16 1qya s VAL 224 CO 0.66 0.09 -0.05 -0.89 0.00 0.00 0.00 175.10 174.91 1qya s THR 225 N 2.31 1.99 0.32 3.92 2.01 -1.26 -4.82 115.64 120.11 1qya s THR 225 Ca 0.03 -1.71 0.02 0.00 0.31 0.00 0.00 61.69 60.35 1qya s THR 225 Cb -0.13 -2.24 0.18 0.00 0.01 0.00 0.00 72.50 70.32 1qya s THR 225 CO -0.07 -0.22 1.88 1.23 -0.69 0.00 0.00 174.62 176.76 1qya h GLY 226 N 7.79 0.71 1.45 4.40 0.00 -2.00 -2.40 103.07 113.02 1qya h GLY 226 Ca -0.15 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1qya h GLY 226 CO 0.46 0.36 0.00 0.70 0.00 0.00 0.00 176.54 178.07 1qya n ASN 227 N -4.31 0.00 -0.13 0.19 5.03 -1.26 -1.70 115.26 113.08 1qya n ASN 227 Ca 0.03 -0.22 -0.26 0.00 0.87 0.00 0.00 54.58 55.00 1qya n ASN 227 Cb 0.20 -0.23 -0.10 0.00 -1.02 0.00 0.00 39.78 38.64 1qya n ASN 227 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1qya n ALA 228 N -1.23 1.33 -0.01 5.41 0.00 -0.98 -4.46 120.51 120.58 1qya n ALA 228 Ca 0.13 -1.06 -0.05 0.00 0.00 0.00 0.00 53.44 52.47 1qya n ALA 228 Cb 0.18 0.09 0.17 0.00 0.00 0.00 0.00 19.45 19.89 1qya n ALA 228 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1qya h ASN 229 N -0.69 0.55 0.68 0.00 2.35 -1.38 -1.81 115.58 115.28 1qya h ASN 229 Ca -0.64 -0.19 -0.03 0.00 -0.55 0.00 0.00 56.30 54.88 1qya h ASN 229 Cb 1.67 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.89 1qya h ASN 229 CO -0.32 0.80 -0.37 1.23 -1.65 0.00 0.00 177.43 177.12 1qya h GLY 230 N 1.02 -1.03 1.40 2.83 0.00 -1.59 -1.98 103.07 103.71 1qya h GLY 230 Ca 0.07 0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.79 1qya h GLY 230 CO 0.05 -0.37 0.34 -2.55 0.00 0.00 0.00 176.54 174.01 1qya h PRO 231 N -0.97 0.80 -0.61 4.80 0.11 -1.77 -2.38 132.00 131.97 1qya h PRO 231 Ca -0.09 -0.07 0.07 0.00 0.11 0.00 0.00 66.00 66.02 1qya h PRO 231 Cb 0.77 -0.17 -0.06 0.00 0.11 0.00 0.00 31.00 31.65 1qya h PRO 231 CO 0.12 0.57 0.29 1.98 -0.21 0.00 0.00 178.00 180.75 1qya h MET 232 N 0.81 0.51 -0.37 1.05 1.85 -1.19 0.12 114.93 117.71 1qya h MET 232 Ca 0.21 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.27 1qya h MET 232 Cb -0.01 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 31.89 1qya h MET 232 CO -0.04 0.34 0.23 0.78 -0.40 0.00 0.00 176.91 177.82 1qya h GLY 233 N 0.53 0.52 0.90 1.39 0.00 -0.87 -0.88 103.07 104.66 1qya h GLY 233 Ca 0.29 -0.21 0.03 0.00 0.00 0.00 0.00 47.33 47.44 1qya h GLY 233 CO -0.23 0.20 0.53 0.00 0.00 0.00 0.00 176.54 177.03 1qya h ALA 234 N 1.11 1.06 -0.70 3.60 0.00 -0.99 -2.69 119.26 120.66 1qya h ALA 234 Ca 0.13 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1qya h ALA 234 Cb -0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1qya h ALA 234 CO -0.03 0.37 0.18 2.35 0.00 0.00 0.00 179.25 182.12 1qya h TRP 235 N 1.04 1.17 -0.76 0.00 7.01 -0.25 -0.79 115.95 123.36 1qya h TRP 235 Ca 0.32 -0.13 -0.05 0.00 2.11 0.00 0.00 58.89 61.14 1qya h TRP 235 Cb -0.02 -0.33 -0.03 0.00 -2.10 0.00 0.00 29.16 26.67 1qya h TRP 235 CO -0.02 0.95 0.28 -0.07 -2.79 0.00 0.00 178.44 176.79 1qya h LEU 236 N 1.06 1.07 -0.03 0.65 3.38 -0.92 -0.70 115.31 119.82 1qya h LEU 236 Ca 0.22 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1qya h LEU 236 Cb 0.36 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1qya h LEU 236 CO 0.00 0.96 0.00 0.58 0.09 0.00 0.00 178.44 180.07 1qya h VAL 237 N 1.11 1.23 -0.88 1.22 2.07 -1.22 -0.75 116.25 119.04 1qya h VAL 237 Ca 0.25 -0.69 0.08 0.00 0.82 0.00 0.00 66.70 67.16 1qya h VAL 237 Cb 0.24 1.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 1qya h VAL 237 CO -0.02 0.19 0.57 -0.74 0.02 0.00 0.00 177.57 177.59 1qya h HIS 238 N -0.23 0.96 -0.70 1.57 -0.00 -0.83 -1.52 115.15 114.41 1qya h HIS 238 Ca 0.01 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1qya h HIS 238 Cb 0.30 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 27.39 1qya h HIS 238 CO 0.02 0.47 0.00 0.72 -0.00 0.00 0.00 177.93 179.15 1qya n HIS 239 N -4.51 1.15 -3.89 5.26 8.25 -0.30 -4.98 115.22 116.20 1qya n HIS 239 Ca 0.14 -0.52 -0.32 0.00 -0.26 0.00 0.00 57.72 56.76 1qya n HIS 239 Cb 0.26 -0.09 0.01 0.00 1.12 0.00 0.00 29.99 31.29 1qya n HIS 239 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1qya n ASN 240 N 1.45 -2.95 -0.04 0.41 5.15 -0.57 -4.90 115.26 113.80 1qya n ASN 240 Ca 0.25 -1.09 -0.20 0.00 -0.60 0.00 0.00 54.58 52.94 1qya n ASN 240 Cb 0.70 -2.82 -0.13 0.00 -0.53 0.00 0.00 39.78 37.00 1qya n ASN 240 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1qya n VAL 241 N -4.46 1.68 -4.28 3.44 0.31 -0.35 -4.86 118.33 109.82 1qya n VAL 241 Ca -0.19 -0.64 -0.35 0.00 -0.01 0.00 0.00 64.34 63.16 1qya n VAL 241 Cb 0.63 -1.60 -0.10 0.00 -0.91 0.00 0.00 33.84 31.86 1qya n VAL 241 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1qya s LEU 242 N -6.84 3.63 0.36 7.52 1.43 -1.26 -5.10 118.68 118.43 1qya s LEU 242 Ca -0.26 0.12 -0.28 0.00 -1.03 0.00 0.00 54.13 52.69 1qya s LEU 242 Cb 0.07 -1.85 -0.12 0.00 0.03 0.00 0.00 46.19 44.32 1qya s LEU 242 CO 0.72 0.32 1.34 -2.65 0.23 0.00 0.00 176.35 176.31 1qya n PRO 243 N 2.54 2.25 -3.94 1.29 -0.02 -1.26 -4.93 135.00 130.93 1qya n PRO 243 Ca -0.18 0.79 -0.09 0.00 -2.02 0.00 0.00 63.50 61.99 1qya n PRO 243 Cb 0.53 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 1qya n PRO 243 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1qya s HIS 244 N -1.11 0.30 -1.83 6.00 -3.43 -1.26 -5.05 115.29 108.91 1qya s HIS 244 Ca 0.55 -0.73 0.14 0.00 -0.80 0.00 0.00 55.06 54.22 1qya s HIS 244 Cb -0.54 0.40 0.43 0.00 -1.43 0.00 0.00 32.58 31.45 1qya s HIS 244 CO 0.62 -1.20 1.34 -0.40 -2.00 0.00 0.00 174.74 173.11 1qya n ASP 245 N -0.79 2.71 0.00 7.38 5.75 -1.26 -4.90 116.55 125.44 1qya n ASP 245 Ca -0.03 -2.07 0.00 0.00 -0.01 0.00 0.00 54.79 52.68 1qya n ASP 245 Cb 0.61 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 1qya n ASP 245 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qya n GLY 246 N 1.16 0.78 1.02 6.12 0.00 -1.26 -4.84 105.19 108.18 1qya n GLY 246 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1qya n GLY 246 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qya n ASN 247 N -0.02 0.19 -3.79 1.61 3.02 -1.26 -4.42 115.26 110.58 1qya n ASN 247 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 1qya n ASN 247 Cb 0.01 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.04 1qya n ASN 247 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1qya s VAL 248 N -2.00 -0.03 -0.14 2.41 1.01 -1.26 -0.60 120.40 119.80 1qya s VAL 248 Ca 0.00 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.09 1qya s VAL 248 Cb 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 36.38 36.20 1qya s VAL 248 CO 0.00 0.04 -0.18 -0.22 0.00 0.00 0.00 175.10 174.75 1qya s LEU 249 N 0.64 2.40 -0.20 3.92 2.96 -0.47 -4.43 118.68 123.50 1qya s LEU 249 Ca -0.05 -0.48 -0.04 0.00 -0.22 0.00 0.00 54.13 53.35 1qya s LEU 249 Cb -0.07 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 1qya s LEU 249 CO -0.03 0.12 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.95 1qya s ARG 250 N 0.61 3.47 -0.06 1.98 0.52 -1.26 -0.33 118.95 123.87 1qya s ARG 250 Ca -0.10 -0.59 0.05 0.00 -0.52 0.00 0.00 55.73 54.57 1qya s ARG 250 Cb -0.16 -2.99 -0.00 0.00 0.52 0.00 0.00 34.95 32.32 1qya s ARG 250 CO 0.03 -0.07 -0.22 0.08 0.02 0.00 0.00 175.30 175.15 1qya s VAL 251 N 1.16 1.81 -0.48 3.52 1.01 0.04 -4.81 120.40 122.64 1qya s VAL 251 Ca 0.02 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 60.90 1qya s VAL 251 Cb -0.15 -1.55 0.05 0.00 0.00 0.00 0.00 36.38 34.74 1qya s VAL 251 CO -0.00 0.51 0.58 -0.75 0.00 0.00 0.00 175.10 175.44 1qya s LYS 252 N 0.08 3.13 -0.09 2.72 2.20 -0.46 0.44 119.74 127.76 1qya s LYS 252 Ca -0.08 -0.84 -0.20 0.00 -0.36 0.00 0.00 55.97 54.49 1qya s LYS 252 Cb -0.14 -4.06 -0.04 0.00 -1.51 0.00 0.00 37.83 32.07 1qya s LYS 252 CO 0.05 -1.13 0.55 0.20 -0.36 0.00 0.00 175.35 174.66 1qya s GLY 253 N 2.47 2.48 0.03 5.54 0.00 0.10 -1.68 107.32 116.26 1qya s GLY 253 Ca 0.15 -0.08 0.05 0.00 0.00 0.00 0.00 44.72 44.84 1qya s GLY 253 CO 0.13 0.86 -0.10 0.30 0.00 0.00 0.00 173.10 174.29 1qya s HIS 254 N 0.54 2.77 -0.03 1.90 0.09 0.51 -0.59 115.29 120.49 1qya s HIS 254 Ca 0.30 -0.12 -0.30 0.00 -0.00 0.00 0.00 55.06 54.93 1qya s HIS 254 Cb -0.16 -1.54 0.07 0.00 -0.00 0.00 0.00 32.58 30.95 1qya s HIS 254 CO 0.13 0.35 0.67 -1.14 -0.00 0.00 0.00 174.74 174.75 1qya s GLN 255 N -1.54 1.08 0.00 1.40 0.74 -0.98 -1.65 119.66 118.71 1qya s GLN 255 Ca 0.17 0.19 0.00 0.00 0.05 0.00 0.00 55.36 55.77 1qya s GLN 255 Cb -0.11 0.51 0.00 0.00 1.10 0.00 0.00 33.01 34.51 1qya s GLN 255 CO 0.08 -0.35 0.00 0.41 -0.55 0.00 0.00 175.29 174.88 1qya n GLY 256 N 0.79 0.61 0.28 2.59 0.00 -1.01 -0.41 105.19 108.04 1qya n GLY 256 Ca -0.19 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 1qya n GLY 256 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1qya h ARG 257 N 4.59 0.95 0.00 1.61 2.43 -1.88 -0.68 114.38 121.41 1qya h ARG 257 Ca 0.00 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.03 1qya h ARG 257 Cb 0.00 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 1qya h ARG 257 CO 0.00 0.68 -0.21 0.00 -1.51 0.00 0.00 179.97 178.93 1qya h ALA 258 N 1.21 1.24 -0.01 2.80 0.00 -1.94 -1.73 119.26 120.83 1qya h ALA 258 Ca 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1qya h ALA 258 Cb -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1qya h ALA 258 CO -0.05 0.26 -0.07 1.28 0.00 0.00 0.00 179.25 180.68 1qya n LEU 259 N -3.68 0.59 -1.26 0.00 4.77 -0.95 -4.91 117.00 111.56 1qya n LEU 259 Ca -0.01 -0.10 -0.12 0.00 -0.03 0.00 0.00 56.01 55.74 1qya n LEU 259 Cb 0.33 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 1qya n LEU 259 CO 0.33 0.10 -0.15 0.61 -1.33 0.00 0.00 177.39 176.96 1qya n GLY 260 N 1.20 0.35 2.58 -0.72 0.00 -0.65 -4.94 105.19 103.01 1qya n GLY 260 Ca 0.17 -0.39 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 1qya n GLY 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qya n ARG 261 N -2.34 2.11 -1.71 1.61 1.74 -0.30 -4.70 116.66 113.06 1qya n ARG 261 Ca -0.14 -3.81 -0.43 0.00 -0.77 0.00 0.00 57.85 52.70 1qya n ARG 261 Cb 0.54 -1.69 -0.03 0.00 -1.02 0.00 0.00 32.46 30.26 1qya n ARG 261 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1qya n ASP 262 N -0.22 3.63 -4.03 0.55 9.92 -1.20 -3.04 116.55 122.17 1qya n ASP 262 Ca 0.22 1.10 -0.13 0.00 -0.53 0.00 0.00 54.79 55.45 1qya n ASP 262 Cb 0.74 -1.53 -0.09 0.00 -0.64 0.00 0.00 41.12 39.59 1qya n ASP 262 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1qya s GLY 263 N 0.83 1.51 -0.10 0.44 0.00 0.45 -1.32 107.32 109.14 1qya s GLY 263 Ca 0.72 -1.69 -0.08 0.00 0.00 0.00 0.00 44.72 43.67 1qya s GLY 263 CO 0.40 -1.34 0.26 -3.16 0.00 0.00 0.00 173.10 169.26 1qya s MET 264 N -4.01 0.29 -0.09 2.90 0.23 0.02 -2.31 119.30 116.33 1qya s MET 264 Ca 0.38 0.41 0.03 0.00 -1.03 0.00 0.00 55.69 55.48 1qya s MET 264 Cb 0.05 0.09 0.01 0.00 -1.53 0.00 0.00 34.83 33.45 1qya s MET 264 CO 0.14 -0.07 -0.17 0.42 -2.03 0.00 0.00 175.02 173.31 1qya s ILE 265 N 0.42 1.57 -0.18 3.16 1.01 0.24 -4.69 121.20 122.72 1qya s ILE 265 Ca -0.02 -0.72 -0.20 0.00 0.00 0.00 0.00 60.65 59.70 1qya s ILE 265 Cb -0.04 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 1qya s ILE 265 CO -0.02 0.45 0.61 -1.61 0.00 0.00 0.00 174.94 174.37 1qya s GLU 266 N 0.61 4.23 -0.22 2.79 0.41 -0.43 0.00 118.70 126.09 1qya s GLU 266 Ca -0.15 0.60 -0.06 0.00 -0.41 0.00 0.00 54.97 54.95 1qya s GLU 266 Cb -0.16 -3.56 -0.02 0.00 -1.78 0.00 0.00 34.13 28.61 1qya s GLU 266 CO 0.05 -0.18 0.02 0.08 -0.49 0.00 0.00 175.26 174.73 1qya s VAL 267 N 1.71 3.97 -0.25 2.63 1.01 0.17 -1.22 120.40 128.43 1qya s VAL 267 Ca 0.28 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 1qya s VAL 267 Cb -0.16 -2.82 0.02 0.00 0.00 0.00 0.00 36.38 33.42 1qya s VAL 267 CO 0.11 0.40 -0.05 -0.89 0.00 0.00 0.00 175.10 174.66 1qya s THR 268 N 1.31 3.00 -0.23 3.92 2.01 -0.02 -0.78 115.64 124.86 1qya s THR 268 Ca 0.04 -0.94 -0.06 0.00 0.31 0.00 0.00 61.69 61.04 1qya s THR 268 Cb -0.15 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 1qya s THR 268 CO 0.01 0.22 0.04 -0.69 -0.69 0.00 0.00 174.62 173.51 1qya s VAL 269 N 1.36 4.17 0.15 3.82 1.01 0.55 -1.16 120.40 130.29 1qya s VAL 269 Ca 0.01 -0.23 -0.28 0.00 0.00 0.00 0.00 61.98 61.48 1qya s VAL 269 Cb -0.16 -2.92 -0.07 0.00 0.00 0.00 0.00 36.38 33.22 1qya s VAL 269 CO -0.04 0.38 0.89 -0.89 0.00 0.00 0.00 175.10 175.44 1qya s THR 270 N 1.34 4.38 -0.06 3.92 2.01 -0.21 -1.37 115.64 125.65 1qya s THR 270 Ca 0.05 1.95 0.04 0.00 0.31 0.00 0.00 61.69 64.03 1qya s THR 270 Cb -0.15 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.10 1qya s THR 270 CO 0.02 0.41 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.56 1qya s ILE 271 N -0.55 1.48 -0.04 1.82 1.01 0.23 -0.70 121.20 124.46 1qya s ILE 271 Ca 0.42 -0.72 -0.00 0.00 0.00 0.00 0.00 60.65 60.35 1qya s ILE 271 Cb -0.24 -1.29 0.03 0.00 0.01 0.00 0.00 42.46 40.97 1qya s ILE 271 CO 0.29 0.43 0.02 -0.60 0.00 0.00 0.00 174.94 175.07 1qya s ARG 272 N 0.27 0.22 -1.55 2.79 3.52 -0.42 -4.45 118.95 119.34 1qya s ARG 272 Ca -0.10 0.16 -0.14 0.00 -0.13 0.00 0.00 55.73 55.52 1qya s ARG 272 Cb -0.14 -0.52 0.09 0.00 -1.56 0.00 0.00 34.95 32.82 1qya s ARG 272 CO 0.04 -0.20 0.95 -0.25 -0.81 0.00 0.00 175.30 175.03 1qya n ASP 273 N 4.51 -4.51 -1.91 -2.12 8.00 -1.26 -1.76 116.55 117.49 1qya n ASP 273 Ca -0.19 -0.81 -0.20 0.00 0.71 0.00 0.00 54.79 54.30 1qya n ASP 273 Cb 0.50 -3.75 -0.05 0.00 -0.02 0.00 0.00 41.12 37.81 1qya n ASP 273 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1qya n ASN 274 N -2.82 -5.56 -4.26 -2.24 3.02 -1.26 -5.00 115.26 97.14 1qya n ASN 274 Ca 0.03 0.23 -0.24 0.00 -0.03 0.00 0.00 54.58 54.57 1qya n ASN 274 Cb 0.53 -4.69 -0.13 0.00 -0.61 0.00 0.00 39.78 34.87 1qya n ASN 274 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1qya s GLN 275 N -4.36 1.18 -0.12 3.52 -1.52 -0.72 -4.53 119.66 113.10 1qya s GLN 275 Ca 0.00 -1.05 -0.29 0.00 -1.95 0.00 0.00 55.36 52.07 1qya s GLN 275 Cb 0.00 -1.37 -0.02 0.00 -0.22 0.00 0.00 33.01 31.40 1qya s GLN 275 CO 0.00 0.33 1.29 -1.25 -0.25 0.00 0.00 175.29 175.41 1qya s PRO 276 N -1.60 4.26 -0.23 2.91 0.04 -1.26 -1.29 135.00 137.82 1qya s PRO 276 Ca 0.06 1.72 -0.05 0.00 0.04 0.00 0.00 61.00 62.78 1qya s PRO 276 Cb -0.09 -3.73 -0.18 0.00 0.04 0.00 0.00 34.50 30.54 1qya s PRO 276 CO 0.03 -0.66 -0.08 0.39 0.04 0.00 0.00 177.00 176.72 1qya n GLU 277 N 6.28 0.66 -3.83 4.56 -0.58 0.12 -4.75 120.64 123.11 1qya n GLU 277 Ca 0.13 0.23 -0.12 0.00 -0.42 0.00 0.00 57.16 56.98 1qya n GLU 277 Cb 0.45 -1.58 -0.11 0.00 -0.57 0.00 0.00 31.44 29.64 1qya n GLU 277 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1qya s LYS 278 N -2.52 0.40 -0.07 3.49 2.20 -1.22 -4.54 119.74 117.47 1qya s LYS 278 Ca -0.32 -0.07 0.02 0.00 -0.36 0.00 0.00 55.97 55.24 1qya s LYS 278 Cb 0.09 0.18 0.01 0.00 -1.51 0.00 0.00 37.83 36.60 1qya s LYS 278 CO 0.62 -0.08 -0.14 0.08 -0.36 0.00 0.00 175.35 175.47 1qya s VAL 279 N -0.71 1.27 -0.02 4.02 1.01 -1.26 -1.05 120.40 123.66 1qya s VAL 279 Ca -0.08 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.41 1qya s VAL 279 Cb -0.05 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 1qya s VAL 279 CO 0.01 0.39 -0.20 -0.89 0.00 0.00 0.00 175.10 174.41 1qya s THR 280 N 0.69 2.59 0.08 3.92 2.01 -0.31 -0.87 115.64 123.75 1qya s THR 280 Ca -0.14 -0.99 0.09 0.00 0.31 0.00 0.00 61.69 60.97 1qya s THR 280 Cb -0.16 -1.99 -0.03 0.00 0.01 0.00 0.00 72.50 70.33 1qya s THR 280 CO 0.03 0.53 -0.24 0.27 -0.69 0.00 0.00 174.62 174.53 1qya s ILE 281 N -0.73 2.41 0.02 1.82 -4.36 -0.54 -0.84 121.20 118.99 1qya s ILE 281 Ca 0.11 -1.50 -0.03 0.00 -0.26 0.00 0.00 60.65 58.98 1qya s ILE 281 Cb -0.10 -2.02 -0.01 0.00 1.25 0.00 0.00 42.46 41.57 1qya s ILE 281 CO 0.01 0.23 0.04 -0.94 0.24 0.00 0.00 174.94 174.52 1qya s SER 282 N -1.69 0.19 0.21 4.36 1.04 -0.36 -0.27 113.70 117.18 1qya s SER 282 Ca 0.14 -0.47 -0.23 0.00 0.48 0.00 0.00 55.95 55.88 1qya s SER 282 Cb -0.10 0.16 0.04 0.00 0.10 0.00 0.00 66.02 66.22 1qya s SER 282 CO 0.05 -0.39 0.78 -0.83 0.98 0.00 0.00 173.24 173.83 1qya s GLY 283 N -1.69 -0.22 0.00 7.32 0.00 -0.78 -1.32 107.32 110.63 1qya s GLY 283 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.60 1qya s GLY 283 CO -0.02 -0.01 0.00 -0.37 0.00 0.00 0.00 173.10 172.71 1qya n THR 284 N -0.44 0.00 -3.80 0.90 5.66 -1.26 -1.30 114.28 114.03 1qya n THR 284 Ca -0.07 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.88 1qya n THR 284 Cb 0.60 -0.66 -0.02 0.00 -1.55 0.00 0.00 70.33 68.71 1qya n THR 284 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qya s ALA 285 N -2.00 -1.45 -0.03 1.79 0.00 -1.14 -0.40 121.76 118.53 1qya s ALA 285 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1qya s ALA 285 Cb 0.00 0.74 0.03 0.00 0.00 0.00 0.00 23.12 23.88 1qya s ALA 285 CO 0.00 -1.04 0.01 0.54 0.00 0.00 0.00 175.76 175.27 1qya s VAL 286 N -3.56 0.10 -0.35 0.00 0.11 -0.40 -4.72 120.40 111.58 1qya s VAL 286 Ca 0.12 0.13 -0.25 0.00 -2.93 0.00 0.00 61.98 59.04 1qya s VAL 286 Cb -0.03 -0.21 0.01 0.00 -1.53 0.00 0.00 36.38 34.62 1qya s VAL 286 CO 0.05 0.12 0.90 -0.63 -3.33 0.00 0.00 175.10 172.21 1qya s ILE 287 N 1.02 4.63 0.12 7.04 1.01 -1.26 -1.57 121.20 132.19 1qya s ILE 287 Ca -0.10 1.22 -0.08 0.00 0.00 0.00 0.00 60.65 61.69 1qya s ILE 287 Cb -0.13 -4.29 -0.16 0.00 0.01 0.00 0.00 42.46 37.89 1qya s ILE 287 CO -0.02 -0.46 1.33 -0.07 0.00 0.00 0.00 174.94 175.71 1qya h LEU 288 N 9.91 0.74 -7.16 2.97 3.38 -1.38 -3.48 115.31 120.29 1qya h LEU 288 Ca -0.23 -0.52 0.16 0.00 0.09 0.00 0.00 57.88 57.38 1qya h LEU 288 Cb 1.08 -0.22 -0.14 0.00 0.09 0.00 0.00 40.66 41.47 1qya h LEU 288 CO 0.96 1.30 0.56 0.72 0.09 0.00 0.00 178.44 182.07 1qya s PHE 289 N -3.57 -0.25 -0.00 1.13 -0.12 -1.24 -5.04 117.98 108.89 1qya s PHE 289 Ca -0.08 0.09 -0.11 0.00 -0.05 0.00 0.00 56.93 56.78 1qya s PHE 289 Cb 0.09 0.56 0.01 0.00 -0.63 0.00 0.00 43.02 43.05 1qya s PHE 289 CO 0.88 -0.54 0.21 -3.38 -0.05 0.00 0.00 175.22 172.35 1qya s HIS 290 N -3.01 -0.05 0.03 3.49 -3.43 -1.26 -1.56 115.29 109.49 1qya s HIS 290 Ca 0.08 0.03 -0.13 0.00 -0.80 0.00 0.00 55.06 54.23 1qya s HIS 290 Cb -0.01 0.01 0.02 0.00 -1.43 0.00 0.00 32.58 31.18 1qya s HIS 290 CO -0.06 -0.34 0.29 0.00 -2.00 0.00 0.00 174.74 172.64 1qya s ALA 291 N -1.40 -0.66 0.33 -1.38 0.00 -0.59 -4.97 121.76 113.08 1qya s ALA 291 Ca -0.14 0.05 -0.28 0.00 0.00 0.00 0.00 51.96 51.59 1qya s ALA 291 Cb -0.06 0.25 -0.10 0.00 0.00 0.00 0.00 23.12 23.21 1qya s ALA 291 CO 0.03 -0.36 1.18 -1.21 0.00 0.00 0.00 175.76 175.39 1qya s GLU 292 N -2.22 4.41 0.17 0.00 2.02 -1.26 -0.66 118.70 121.16 1qya s GLU 292 Ca -0.07 1.94 -0.32 0.00 0.02 0.00 0.00 54.97 56.54 1qya s GLU 292 Cb -0.02 -3.02 -0.10 0.00 0.10 0.00 0.00 34.13 31.08 1qya s GLU 292 CO -0.01 -0.04 1.59 -1.58 0.02 0.00 0.00 175.26 175.23 1qya s TRP 293 N -1.22 3.04 -2.26 1.61 0.52 -1.16 -4.89 118.94 114.58 1qya s TRP 293 Ca 0.49 0.59 0.27 0.00 0.02 0.00 0.00 56.10 57.47 1qya s TRP 293 Cb -0.34 -3.95 1.25 0.00 -1.15 0.00 0.00 33.47 29.28 1qya s TRP 293 CO 0.44 -3.52 1.85 0.00 0.02 0.00 0.00 176.95 175.73 1qya n ALA 294 N 3.99 2.60 -2.50 0.98 0.00 -1.26 -4.87 120.51 119.45 1qya n ALA 294 Ca 0.14 -0.35 -0.25 0.00 0.00 0.00 0.00 53.44 52.98 1qya n ALA 294 Cb 0.38 -1.27 -0.10 0.00 0.00 0.00 0.00 19.45 18.46 1qya n ALA 294 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1qya s ILE 295 N -1.96 2.70 -0.13 0.00 -4.36 -1.26 -5.09 121.20 111.10 1qya s ILE 295 Ca 0.39 -2.10 -0.29 0.00 -0.26 0.00 0.00 60.65 58.38 1qya s ILE 295 Cb 0.20 -2.37 -0.03 0.00 1.25 0.00 0.00 42.46 41.50 1qya s ILE 295 CO 0.32 -0.26 1.48 -0.70 0.24 0.00 0.00 174.94 176.01 1qya s GLU 296 N -3.17 4.15 0.00 0.37 2.12 -1.26 -5.14 118.70 115.77 1qya s GLU 296 Ca 0.27 1.89 0.00 0.00 0.36 0.00 0.00 54.97 57.48 1qya s GLU 296 Cb -0.07 -3.90 0.00 0.00 0.26 0.00 0.00 34.13 30.42 1qya s GLU 296 CO 0.14 -0.85 0.00 1.28 -0.54 0.00 0.00 175.26 175.29