NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2739 8.2993 120.1345 56.0285 33.4873 174.9204 4 K 4.1189 8.1982 119.7697 55.6596 33.7362 175.0586 5 S 4.3133 8.7464 118.1908 57.5330 64.1552 176.3123 6 A 4.2356 8.4097 127.3076 51.8302 20.1031 177.9361 7 R 3.9073 8.4934 119.7066 59.6774 29.8580 179.6955 8 I 3.7685 7.6347 118.2525 64.3215 37.5885 178.2169 9 R 4.1137 7.8184 118.5279 59.0356 29.7753 179.0090 10 R 4.0091 7.9887 117.1309 58.2850 30.2305 177.7654 11 A 4.4232 7.7182 118.8319 51.3651 19.0543 177.0181 12 T 3.6951 7.4439 110.2666 62.5103 66.6005 173.5558 13 R 3.9918 7.7256 118.3550 57.6924 29.8324 176.4994 14 A 4.4778 7.6808 120.7299 50.6866 20.4999 176.4221 15 R 4.4646 7.9732 114.6979 54.0039 31.2035 176.0372 16 R 3.9326 8.5840 123.5858 58.4210 30.0058 177.7969 17 K 4.2652 7.8955 119.5238 58.2346 32.3191 177.7016 18 L 4.3077 7.5353 117.6267 55.9381 40.8120 178.1604 19 Q 4.2584 7.7425 118.0362 57.4219 28.5036 177.3732 20 E 4.0538 8.1064 117.9996 58.1944 29.5581 178.5703 21 L 3.9091 7.1767 122.1064 57.3961 42.7004 178.0422 22 G 3.9650 7.7017 104.6098 46.4598 0.0000 172.0381 23 A 4.8650 7.4950 123.3618 51.0112 21.1201 174.6499 24 T 4.6729 8.2191 108.3307 60.9287 71.5208 173.7135 25 R 4.6874 8.4378 121.5473 54.0544 34.1874 175.7321 26 L 5.4690 8.0159 119.4166 52.9026 42.1404 175.1497 27 V 4.2975 7.7693 122.0822 62.2735 33.4815 175.0838 28 V 4.5227 8.1093 126.0549 61.4320 33.1316 173.9257 29 H 4.9390 8.7956 125.3711 54.7886 30.5267 174.7361 30 R 4.8837 8.4629 117.7662 54.8078 32.0338 174.5733 31 T 4.6778 9.3541 120.7544 60.6577 71.2139 173.3477 32 P 4.5440 0.0000 0.0000 64.5204 31.3706 176.7136 33 R 4.5087 8.1312 116.0762 56.4338 32.6544 175.1684 34 H 5.1223 7.7105 112.1850 53.8093 32.9585 171.4920 35 I 4.9060 8.1573 120.2322 59.5260 40.9472 173.5320 36 Y 5.0069 9.2865 129.8333 56.0622 42.4742 173.9112 37 A 5.0664 7.0470 123.5491 50.8216 23.2784 175.3366 38 Q 4.6514 8.9224 118.7617 54.5061 34.2171 174.2124 39 V 4.6013 8.0940 120.5584 60.2998 31.4264 173.6562 40 I 5.2553 8.0478 123.9597 59.2170 39.9044 173.7312 41 A 5.0507 8.3154 129.0212 49.1991 21.9522 174.4649 42 P 4.2511 0.0000 0.0000 63.2906 32.4829 175.3514 43 N 4.0299 9.2651 115.1461 53.2104 34.9500 174.9136 44 G 3.8385 8.0656 105.2300 44.6486 0.0000 171.8147 45 S 4.5452 8.1554 110.1517 57.0903 62.0681 172.7231 46 E 4.3113 8.1915 121.0782 55.2704 30.4532 176.3732 47 V 4.2579 8.1918 125.8680 61.9038 31.7498 175.6278 48 L 4.2894 8.4946 128.5702 57.4204 42.0452 178.0216 49 V 4.6686 7.4878 110.1441 60.0137 36.2010 173.8550 50 A 4.7768 8.3332 122.3217 51.2856 20.9368 175.5637 51 A 4.5479 7.7724 119.6408 50.5819 23.1159 175.5546 52 S 4.9628 8.7651 116.0771 56.8440 64.7483 175.2139 53 T 3.9546 8.2725 117.4021 64.8173 66.7383 176.9891 54 V 3.6367 7.5355 121.4004 64.4205 31.5180 177.8852 55 E 4.0869 8.1192 118.7362 58.1875 29.2710 178.6520 56 K 4.0291 7.7537 119.8405 58.9322 31.9458 178.4987 57 A 4.1330 7.5308 120.3060 54.9440 18.2761 179.0955 58 I 3.7649 7.4915 117.8263 65.1502 37.1737 176.9894 59 A 4.0479 7.9186 122.4588 51.8690 19.3321 176.8312 60 E 5.5623 7.1384 118.6896 55.8533 31.6364 176.6956 61 Q 4.4914 7.8410 120.6329 54.7044 31.1451 173.6472 62 L 4.4263 8.4881 125.9195 56.6509 43.5446 176.6097 63 K 4.3341 7.7267 115.3444 55.4534 33.0321 175.5981 64 Y 4.4045 8.5212 120.7125 58.8063 38.8953 176.0434 65 T 4.5484 7.1250 111.3990 61.3059 69.0669 174.4653 66 G 4.1876 7.7218 109.3266 46.1064 0.0000 172.4930 67 N 5.2157 8.0244 117.9787 50.2312 40.6503 174.2055 68 K 4.1177 8.6246 117.5026 59.8305 32.0134 178.7586 69 D 4.4038 8.1412 118.5997 56.2026 39.3555 178.0600 70 A 4.0579 8.5949 122.2587 54.5218 18.0971 179.3562 71 A 3.9527 7.9044 119.0991 55.0209 18.2318 179.5939 72 A 4.1622 7.9348 118.7474 54.8812 18.4226 179.5286 73 A 3.9303 7.6430 119.3901 55.2577 18.3382 180.0627 74 V 3.6124 7.8066 116.6232 65.9373 31.6440 178.4852 75 G 3.5926 7.7754 104.9669 47.8166 0.0000 175.8580 76 K 4.0605 7.8928 120.5038 58.7598 32.0007 179.5296 77 A 3.9090 7.5828 121.1457 55.1910 18.4371 179.8231 78 V 3.4570 8.0113 116.9270 66.0680 31.4573 178.1193 79 A 4.0119 7.9628 120.4563 54.9532 18.0332 179.1763 80 E 3.8497 7.9679 117.0881 59.5594 29.7862 179.0395 81 R 4.0752 8.0807 117.7055 58.5737 30.0788 178.9251 82 A 4.0248 7.6756 120.6501 55.1074 18.2434 179.4761 83 L 3.9088 7.9319 117.5680 57.9470 42.1555 178.3080 84 E 4.1096 7.5351 116.9487 58.1062 29.6177 178.2353 85 K 4.1725 7.8224 119.5756 60.1722 32.4703 176.1000 86 G 3.2672 7.5041 106.6265 44.8823 0.0000 172.5766 87 I 4.3134 7.3538 120.7265 59.4043 39.5057 174.1792 88 K 4.3698 8.5156 124.0879 57.8796 34.0874 176.1635 89 D 4.7788 7.5362 116.9423 53.3703 42.5092 176.0838 90 V 4.2331 7.4562 117.2706 61.1862 33.5215 171.9019 91 S 4.3797 7.9495 117.1341 56.5695 65.0548 172.7271 92 F 4.7716 8.0315 123.7464 57.1223 40.0619 175.1669 93 D 4.7577 8.9530 123.8421 52.2670 42.6424 173.1019 94 R 4.4532 8.3365 120.9700 53.6651 29.6089 174.4178 95 S 4.0296 8.4143 121.1930 60.1013 62.2717 171.4674 96 G 3.6387 9.5235 118.6893 44.9968 0.0000 170.8047 97 F 4.4812 7.6944 125.4296 57.5832 42.3674 173.5454 98 Q 3.9467 6.4835 121.5591 55.1847 31.0930 174.4309 99 Y 4.7249 7.9200 113.8911 57.9365 40.1240 175.5352 100 H 4.1651 9.2031 118.8783 56.9418 29.0641 177.2603 101 G 4.2776 7.6977 105.2681 45.4664 0.0000 174.3332 102 R 3.8222 8.9746 117.9628 58.5713 30.3110 178.9737 103 V 3.5090 7.5165 112.4694 64.1448 31.5152 178.0132 104 Q 3.8786 7.8032 118.9445 58.8402 28.7465 177.9167 105 A 3.9557 7.8591 121.4257 54.5213 18.4772 179.2110 106 L 3.9962 7.5979 118.7721 58.0579 42.2806 178.9958 107 A 3.8555 7.8030 120.7971 55.1971 17.7494 179.1729 108 D 4.2715 8.2330 116.3798 57.1868 41.3306 178.2466 109 A 4.0745 7.7117 121.3974 54.6165 18.3634 179.3896 110 A 4.0648 7.9185 119.4895 55.5025 18.1962 180.1419 111 R 3.9583 8.0685 116.3476 59.2578 29.9108 178.8194 112 E 4.0373 7.7119 117.3240 58.8151 29.5604 178.3747 113 A 4.3424 7.7454 119.3230 53.3756 18.9602 177.7014 114 G 4.0511 6.4496 112.4274 45.8349 0.0000 172.8690 115 L 4.7613 7.2436 126.0719 54.0146 41.7364 176.4140 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 K 8.30 4.27 0.00 1.76 1.83 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.38 7.81 4 K 8.20 4.12 0.00 1.94 1.81 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.53 7.81 5 S 8.75 4.31 0.00 3.89 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.41 4.24 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.49 3.91 0.00 1.91 2.00 0.00 3.18 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 8 I 7.63 3.77 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.47 0.92 0.00 0.00 9 R 7.82 4.11 0.00 2.08 1.98 0.00 3.30 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 10 R 7.99 4.01 0.00 1.96 2.00 0.00 3.15 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.97 0.00 11 A 7.72 4.42 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.44 3.70 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 13 R 7.73 3.99 0.00 1.93 2.06 0.00 3.12 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 14 A 7.68 4.48 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.97 4.46 0.00 1.92 2.03 0.00 3.13 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 16 R 8.58 3.93 0.00 1.91 1.96 0.00 3.18 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 17 K 7.90 4.27 0.00 1.80 1.83 0.00 1.65 0.00 0.00 1.38 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.71 7.81 18 L 7.54 4.31 0.00 1.89 1.67 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 7.74 4.26 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 20 E 8.11 4.05 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.36 0.00 21 L 7.18 3.91 0.00 1.77 1.85 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.70 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.49 4.86 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.22 4.67 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 25 R 8.44 4.69 0.00 1.78 1.80 0.00 3.14 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 26 L 8.02 5.47 0.00 1.65 1.70 1.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.77 4.30 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.98 0.00 0.00 28 V 8.11 4.52 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.88 0.00 0.00 29 H 8.80 4.94 0.00 3.31 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.46 4.88 0.00 1.69 1.70 0.00 2.99 0.00 0.00 2.72 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.65 0.00 31 T 9.35 4.68 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 32 P 0.00 4.54 0.00 2.22 2.22 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 33 R 8.13 4.51 0.00 1.59 1.64 0.00 3.06 0.00 0.00 3.09 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.52 0.00 34 H 7.71 5.12 0.00 3.11 3.10 0.00 5.56 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.16 4.91 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.61 0.90 0.00 0.00 36 Y 9.29 5.01 0.00 3.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.05 5.07 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.92 4.65 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 39 V 8.09 4.60 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.90 0.00 0.00 40 I 8.05 5.26 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.92 0.92 0.00 0.00 41 A 8.32 5.05 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.25 0.00 2.04 2.06 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 43 N 9.27 4.03 0.00 2.88 2.89 0.00 0.00 7.11 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.07 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.16 4.55 0.00 3.86 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.19 4.31 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 47 V 8.19 4.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.98 0.00 0.00 48 L 8.49 4.29 0.00 1.63 1.69 1.03 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.49 4.67 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.90 0.00 0.00 50 A 8.33 4.78 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.77 4.55 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.77 4.96 0.00 4.42 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.27 3.95 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 54 V 7.54 3.64 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.86 0.00 0.00 55 E 8.12 4.09 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 56 K 7.75 4.03 0.00 1.79 1.95 0.00 1.51 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.49 7.81 57 A 7.53 4.13 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.49 3.76 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.66 0.91 0.00 0.00 59 A 7.92 4.05 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.14 5.56 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 61 Q 7.84 4.49 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 62 L 8.49 4.43 0.00 1.63 1.65 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.73 4.33 0.00 1.83 1.84 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.45 7.81 64 Y 8.52 4.40 0.00 2.97 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.13 4.55 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 66 G 7.72 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.02 5.22 0.00 2.89 2.93 0.00 0.00 6.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.62 4.12 0.00 1.86 1.85 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.48 7.81 69 D 8.14 4.40 0.00 2.92 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.59 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.90 3.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.93 4.16 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.64 3.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.81 3.61 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.96 0.00 0.00 75 G 7.78 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.89 4.06 0.00 1.90 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.68 7.81 77 A 7.58 3.91 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.01 3.46 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.88 0.00 0.00 79 A 7.96 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.97 3.85 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 81 R 8.08 4.08 0.00 2.02 1.94 0.00 3.14 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 82 A 7.68 4.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.93 3.91 0.00 1.62 1.85 0.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.54 4.11 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 85 K 7.82 4.17 0.00 1.87 2.01 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.48 7.81 86 G 7.50 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.35 4.31 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.81 0.93 0.00 0.00 88 K 8.52 4.37 0.00 1.85 1.76 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.46 7.81 89 D 7.54 4.78 0.00 2.61 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.46 4.23 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.88 0.00 0.00 91 S 7.95 4.38 0.00 3.79 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.03 4.77 0.00 3.04 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.95 4.76 0.00 2.74 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 R 8.34 4.45 0.00 1.81 1.90 0.00 3.16 0.00 0.00 3.24 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 95 S 8.41 4.03 0.00 3.91 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 9.52 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 F 7.69 4.48 0.00 2.85 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 6.48 3.95 0.00 1.90 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.60 0.00 0.00 0.00 0.00 0.00 1.16 1.92 0.00 99 Y 7.92 4.72 0.00 3.05 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 H 9.20 4.17 0.00 3.28 3.44 0.00 5.93 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 7.70 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.97 3.82 0.00 1.82 1.92 0.00 3.29 0.00 0.00 3.52 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 103 V 7.52 3.51 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 1.10 0.00 0.00 104 Q 7.80 3.88 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.54 0.00 105 A 7.86 3.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.60 4.00 0.00 1.77 1.78 0.90 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.80 3.86 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.23 4.27 0.00 2.80 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.71 4.07 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.92 4.06 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.07 3.96 0.00 1.96 2.04 0.00 3.21 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.01 0.00 112 E 7.71 4.04 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 113 A 7.75 4.34 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 6.45 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.24 4.76 0.00 1.78 1.57 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00