NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 M 4.3697 8.3049 118.1589 55.0408 32.1165 178.3952 33 E 4.0501 8.9406 114.1804 55.8653 27.8822 175.8686 34 K 4.0958 7.4507 124.8342 55.7676 31.5986 177.2932 35 T 4.3002 7.4295 112.6879 60.9778 71.7068 175.2000 36 D 4.4673 8.7432 121.9409 57.9093 40.7957 179.1853 37 E 3.9522 8.1854 118.2336 59.5155 29.5514 178.5688 38 Y 3.9843 8.1172 119.3857 60.7888 38.9111 178.0993 39 L 3.7017 8.4485 120.2171 57.6404 41.7234 179.5598 40 L 3.9921 8.5900 118.9146 57.9192 41.4242 179.5456 41 A 3.9456 7.7798 119.1512 54.8358 18.5291 179.4091 42 R 3.5955 7.3937 117.5126 58.7944 29.9962 177.7091 43 F 4.8411 7.4450 115.1017 56.2063 39.6650 175.5029 44 K 4.3603 7.5291 121.5448 57.1116 33.8130 176.4096 45 G 3.9595 8.2973 114.7625 47.0517 0.0000 176.8452 46 D 4.3815 9.0794 125.7642 54.5283 41.5104 178.2590 47 G 4.0971 7.4427 107.5138 45.6211 0.0000 172.9714 48 V 4.3112 8.2513 121.3960 61.5188 34.1342 175.7544 49 K 5.2023 8.1113 124.4758 55.0188 35.3572 174.8196 50 Y 5.0168 9.4383 123.9269 56.0560 42.1294 174.5496 51 K 4.0643 8.8509 123.9419 56.3021 34.0891 175.6575 52 A 4.9880 8.0888 126.7071 51.7373 23.4629 174.7029 53 K 4.9154 8.9456 115.2878 54.7310 36.6982 176.3290 54 L 4.4279 8.4896 126.0962 54.2839 41.5052 176.4289 55 I 3.8324 8.5359 129.1702 62.3352 37.8849 176.8700 56 G 4.0293 6.8555 108.2898 46.2795 0.0000 171.0976 57 I 4.7561 7.6774 119.6708 59.2288 40.5649 175.1035 58 D 4.7391 8.5165 124.7082 52.4893 44.9011 174.0553 59 D 4.8612 8.7853 125.5991 54.3446 41.5535 175.7916 60 V 4.5791 8.5717 123.1646 60.3194 33.8989 174.0939 61 P 4.3929 0.0000 0.0000 65.0286 31.5819 175.4635 62 D 4.6681 7.5242 116.1980 52.1231 44.8174 175.0128 63 A 4.1493 8.1475 122.0201 54.1010 18.7953 177.2488 64 R 3.9460 7.8519 112.7269 54.1142 34.5260 172.6159 65 G 3.1081 6.4629 103.7361 44.3671 0.0000 174.5458 66 D 4.4105 8.8306 127.0533 57.2450 40.9406 178.6664 67 K 3.8554 7.8745 119.5480 59.6858 32.4088 178.2004 68 M 3.8606 7.8212 117.9031 58.8501 32.1294 178.2258 69 S 3.3954 8.0445 115.3593 61.1417 62.8845 176.4569 70 Q 3.8555 8.3010 122.6897 59.2511 28.8143 177.8447 71 D 4.3114 8.1014 120.0561 57.5562 40.8681 179.2167 72 S 3.9736 7.5485 114.7796 61.7059 62.8455 176.1263 73 M 4.1038 7.7017 120.8824 59.0925 31.9318 177.8603 74 M 3.9828 8.3244 118.4002 58.5417 32.3758 178.0657 75 K 3.9200 8.1430 119.7296 59.5543 32.3414 178.7830 76 L 3.9783 8.4145 119.6501 57.8109 41.5364 179.7215 77 K 4.1826 8.7350 118.9679 58.9789 31.9863 179.7950 78 G 3.5619 8.0996 106.3559 48.0172 0.0000 175.7496 79 M 4.0341 8.2160 121.3948 58.0562 31.9346 178.7174 80 A 3.9877 8.4137 121.0607 54.9973 18.4749 179.6009 81 A 3.8784 8.0820 119.1091 55.3171 18.2854 179.6334 82 A 4.0591 7.7539 118.0010 55.2591 18.6260 179.8382 83 G 3.6603 8.1420 104.1964 48.0026 0.0000 175.9778 84 R 4.3310 8.5294 123.3059 58.3792 29.8764 178.0336 85 S 4.5090 8.0497 111.5503 59.5164 61.9474 174.3719 86 Q 4.5015 8.0035 122.2924 55.7938 29.4488 176.4816 87 G 3.7862 8.1505 103.9661 46.2645 0.0000 173.8738 88 Q 4.5466 7.5113 116.8800 54.1878 30.1304 174.9515 89 H 5.0611 8.4563 119.7718 53.6279 31.1849 174.7430 90 K 4.2272 8.2308 120.6486 56.2081 33.0269 176.8821 91 Q 4.0585 8.6000 124.8453 56.2884 30.3933 175.1362 92 R 4.5229 8.6489 127.5344 56.3146 31.6677 175.1037 93 I 5.0809 9.0607 119.0494 59.3346 42.2505 173.4182 94 W 5.3012 9.3811 121.4990 55.0169 32.1670 175.2163 95 V 4.6734 9.5884 125.8970 61.6490 32.5389 173.7732 96 N 5.3336 9.2722 128.4591 52.1890 40.9159 173.4261 97 I 4.9943 8.8787 127.8299 59.7673 40.0373 175.0787 98 S 5.0038 8.7531 120.8930 57.4635 66.1478 175.0098 99 L 4.1569 8.7703 119.5188 57.8941 41.6021 178.9948 100 S 4.3115 8.0794 114.1537 59.2761 64.1382 173.4134 101 G 4.1610 8.4761 106.4775 44.1665 0.0000 173.1846 102 I 4.9679 8.8758 124.0992 59.2821 40.0125 174.6021 103 K 5.0052 9.0680 125.7583 54.6933 35.3798 175.0322 104 I 4.8457 8.9493 126.6486 60.0158 38.9920 174.7667 105 I 5.1450 8.7695 128.2419 59.1755 40.7795 174.6242 106 D 4.7081 8.9698 126.5904 54.2223 41.5338 176.6321 107 E 4.0814 8.9396 127.8193 59.7039 29.8159 178.5221 108 K 4.1808 8.4130 118.1760 59.6156 32.4484 178.2706 109 T 4.0658 9.1052 108.2580 62.2369 69.2577 176.0806 110 G 3.9596 8.4391 108.8546 45.1520 0.0000 173.2058 111 V 3.8091 7.7552 120.6369 62.5587 32.8105 175.5237 112 I 4.3506 8.3462 128.8043 60.7923 36.4695 175.3529 113 E 4.1300 9.0380 129.5421 59.1038 30.0711 176.6943 114 H 5.0373 8.0586 114.4390 54.1787 33.7888 172.0930 115 E 4.9624 8.4906 120.9778 55.0532 32.6586 174.0214 116 H 4.9124 9.2050 124.1533 53.2016 31.9164 171.8192 117 P 5.1674 0.0000 0.0000 61.7019 32.3135 177.6133 118 V 3.4661 8.6304 121.4693 66.3521 31.3194 177.3992 119 N 4.6539 8.0348 112.6239 53.2274 37.0402 175.1808 120 K 4.3865 8.2973 117.6854 56.2208 33.9322 175.5557 121 I 4.6466 7.3647 120.3762 59.9896 36.9948 175.2950 122 S 4.5579 8.5848 121.3828 59.9169 64.3832 174.6963 123 F 5.0072 8.2403 121.4840 56.5593 43.0298 173.0417 124 I 4.9238 7.8411 125.8124 59.6143 39.0262 174.5492 125 A 4.8145 9.5991 129.9949 50.3860 21.1005 175.5148 126 R 4.6589 8.7059 122.9373 55.2845 32.0401 175.4648 127 D 4.8751 8.6425 125.6296 52.6788 41.7645 177.0401 128 V 3.8743 8.6016 119.7301 63.2465 31.7824 177.3983 129 T 4.3421 8.1337 109.0944 61.8690 69.4651 174.3894 130 D 4.7289 7.9019 121.6899 52.8343 44.1723 174.7268 131 N 4.6976 8.8489 122.5418 54.7104 39.4148 175.4603 132 R 5.0741 9.1687 118.5053 53.9434 30.9537 174.9913 133 A 5.2772 7.9964 117.9001 51.3187 22.6475 176.1091 134 F 4.7893 8.9049 114.2454 56.9056 42.0329 172.4796 135 G 3.9798 9.1868 105.7416 45.5458 0.0000 171.3351 136 Y 5.6657 7.5544 116.2812 55.6412 42.0355 174.0002 137 V 5.1845 9.5538 121.7185 61.9044 33.9857 174.3361 138 C 5.2530 9.5423 120.9092 57.4679 33.5057 172.3085 139 G 4.3442 8.0756 105.6460 44.2029 0.0000 173.9623 140 G 3.8729 8.4196 108.9512 44.1239 0.0000 172.9067 141 E 4.1253 8.4043 119.0827 57.8148 29.6000 178.2363 142 G 4.0349 9.5082 111.6950 45.4829 0.0000 172.9496 143 Q 4.6432 7.6753 117.1270 55.2090 27.7770 174.5728 144 H 5.0362 8.0306 116.9354 56.0355 31.3907 176.2701 145 Q 5.0327 9.2202 120.2179 54.1733 33.3282 173.8365 146 F 5.2076 9.3712 125.6898 56.7219 41.7823 174.2474 147 F 4.2253 8.1888 125.7038 55.6868 40.4714 174.6731 148 A 4.3252 8.1401 126.7800 50.5328 20.6617 175.8456 149 I 4.7133 8.3869 123.1937 59.1433 41.3574 174.6039 150 K 4.9573 8.8333 128.5477 54.8009 33.4683 175.4324 151 T 4.3705 8.6810 119.3171 61.4849 69.6498 176.1044 152 G 3.5650 9.0872 112.1616 48.9367 0.0000 173.2171 153 Q 5.0966 7.6570 119.6797 54.4832 31.0298 174.9989 154 Q 4.2830 8.6107 118.9554 57.0084 29.6651 176.7912 155 A 4.1378 8.9970 123.7135 54.6261 18.6673 179.5874 156 E 3.7437 8.2224 117.8703 59.3047 29.6931 177.2664 157 P 4.4391 0.0000 0.0000 65.7845 30.9549 177.9719 158 L 3.2915 7.2704 119.5668 57.6668 42.0725 178.7053 159 V 3.0876 7.2331 118.2035 65.6468 31.3582 178.1914 160 V 3.4474 8.0464 118.3411 65.9561 31.4030 177.4748 161 D 4.5373 7.7691 118.2440 57.7516 40.7799 178.9910 162 L 3.3916 7.4970 119.0353 57.2934 41.4528 179.6640 163 K 3.6156 7.5506 119.3915 59.5406 32.2084 178.5950 164 D 4.4044 8.4075 119.5466 57.1906 40.7544 178.3392 165 L 3.5572 8.0530 121.0186 58.3906 42.0899 179.1619 166 F 4.4815 7.8875 117.3720 60.5974 38.6655 177.6290 167 Q 4.0528 8.2606 119.3449 59.1119 28.9177 178.2709 168 V 3.6553 8.5275 119.5139 66.2091 31.7955 177.6508 169 I 3.7279 7.9254 119.5742 64.8234 37.0036 177.5782 170 Y 4.0351 8.0356 119.3970 60.8187 38.6993 177.4800 171 N 4.1824 8.5493 117.6162 56.5083 38.7506 177.0624 172 V 3.5556 7.8380 119.1343 66.3673 31.5561 178.0077 173 K 4.1773 7.7839 118.7296 58.6305 31.8973 179.1030 174 K 3.6660 7.7951 119.5509 59.4726 32.0848 178.5714 175 K 3.8220 7.9900 118.5279 59.8117 31.9189 178.7596 176 E 3.9214 8.1916 118.3535 59.8268 29.4108 179.7619 177 E 3.9591 8.0180 118.0756 59.6282 29.4625 179.1306 178 D 4.4725 7.9474 116.7618 56.4972 40.8372 178.1564 179 K 4.2045 7.6888 119.7849 58.2507 32.4272 177.1427 180 K 4.5163 7.7249 117.6039 56.6600 33.3762 176.9752 181 K 4.1860 7.8450 124.1820 56.6878 33.0110 176.3375 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 32 M 8.30 4.37 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 33 E 8.94 4.05 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 34 K 7.45 4.10 0.00 1.74 1.84 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.30 7.81 35 T 7.43 4.30 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 1.24 0.00 0.00 36 D 8.74 4.47 0.00 2.82 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.19 3.95 0.00 2.10 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 0.00 2.42 2.44 0.00 38 Y 8.12 3.98 0.00 3.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.45 3.70 0.00 2.14 1.86 1.22 0.72 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 40 L 8.59 3.99 0.00 1.87 1.70 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.78 3.95 1.19 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 42 R 7.39 3.60 0.00 1.03 1.01 0.00 2.56 0.00 0.00 2.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.16 0.00 43 F 7.44 4.84 0.00 3.13 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.53 4.36 0.00 2.06 1.63 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.51 7.81 45 G 8.30 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 46 D 9.08 4.38 0.00 2.62 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.44 4.10 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 0.00 48 V 8.25 4.31 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.91 0.00 0.00 49 K 8.11 5.20 0.00 1.60 1.41 0.00 0.61 0.00 0.00 1.21 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.36 7.81 50 Y 9.44 5.02 0.00 3.02 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.85 4.06 0.00 1.62 1.57 0.00 1.32 0.00 0.00 0.61 0.00 0.00 2.78 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.25 1.08 7.81 52 A 8.09 4.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.95 4.92 0.00 1.59 1.62 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.31 7.81 54 L 8.49 4.43 0.00 1.67 1.60 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.54 3.83 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.59 0.89 0.00 0.00 56 G 6.86 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.68 4.76 1.56 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.33 0.19 0.00 0.00 58 D 8.52 4.74 0.00 2.76 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.79 4.86 0.00 2.60 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.57 4.58 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.89 0.00 0.00 61 P 0.00 4.39 0.00 2.18 2.14 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 62 D 7.52 4.67 0.00 2.47 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.15 4.15 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 64 R 7.85 3.95 0.00 1.58 1.47 0.00 3.25 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 65 G 6.46 3.11 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 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.83 4.41 0.00 2.77 2.78 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 0.00 0.00 0.00 0.00 67 K 7.87 3.86 0.00 1.74 1.73 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.40 7.81 68 M 7.82 3.86 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 69 S 8.04 3.40 0.00 4.08 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.30 3.86 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 71 D 8.10 4.31 0.00 2.79 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.55 3.97 0.00 3.32 3.78 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 0.00 0.00 0.00 0.00 73 M 7.70 4.10 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.84 0.00 74 M 8.32 3.98 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 75 K 8.14 3.92 0.00 1.83 1.90 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.46 7.81 76 L 8.41 3.98 0.00 1.89 1.69 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.73 4.18 0.00 1.83 1.85 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.57 7.81 78 G 8.10 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 M 8.22 4.03 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.54 0.00 80 A 8.41 3.99 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 81 A 8.08 3.88 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 82 A 7.75 4.06 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 83 G 8.14 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 R 8.53 4.33 0.00 1.96 2.04 0.00 3.08 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.46 0.00 85 S 8.05 4.51 0.00 4.08 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 8.00 4.50 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.02 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 87 G 8.15 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 7.51 4.55 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.65 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 89 H 8.46 5.06 0.00 3.05 3.20 0.00 5.90 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.23 4.23 0.00 1.62 1.93 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.40 7.81 91 Q 8.60 4.06 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.11 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 92 R 8.65 4.52 0.00 1.94 1.73 0.00 3.10 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.53 0.00 93 I 9.06 5.08 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.83 0.96 0.00 0.00 94 W 9.38 5.30 0.00 3.32 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 9.59 4.67 2.35 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 1.21 0.00 0.00 1.12 0.00 0.00 96 N 9.27 5.33 0.00 2.85 2.72 0.00 0.00 6.66 8.34 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 97 I 8.88 4.99 2.03 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.88 0.69 0.00 0.00 98 S 8.75 5.00 0.00 4.15 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.77 4.16 0.00 1.66 1.81 1.08 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.08 4.31 0.00 3.91 3.89 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 0.00 101 G 8.48 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.88 4.97 1.69 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.52 0.92 0.00 0.00 103 K 9.07 5.01 0.00 1.69 1.71 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.38 7.81 104 I 8.95 4.85 2.05 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.40 1.06 0.00 0.00 105 I 8.77 5.15 2.13 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.83 1.10 0.00 0.00 106 D 8.97 4.71 0.00 2.87 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.94 4.08 0.00 1.78 1.89 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 2.32 2.15 0.00 108 K 8.41 4.18 0.00 2.01 1.87 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.38 7.81 109 T 9.11 4.07 4.27 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 1.28 0.00 0.00 110 G 8.44 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 0.00 111 V 7.76 3.81 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 1.00 0.00 0.00 0.95 0.00 0.00 112 I 8.35 4.35 1.88 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 1.25 0.68 0.92 0.00 0.00 113 E 9.04 4.13 0.00 2.14 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 0.00 2.42 2.32 0.00 114 H 8.06 5.04 0.00 3.08 2.93 0.00 5.82 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.49 4.96 0.00 1.88 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.30 0.00 116 H 9.20 4.91 0.00 3.02 3.11 0.00 5.87 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 P 0.00 5.17 0.00 2.16 1.96 0.00 3.92 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 118 V 8.63 3.47 2.04 0.00 0.00 0.00 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 0.00 119 N 8.03 4.65 0.00 2.81 2.85 0.00 0.00 5.80 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 0.00 120 K 8.30 4.39 0.00 1.91 1.84 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.52 7.81 121 I 7.36 4.65 1.72 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.65 1.12 0.00 0.00 122 S 8.58 4.56 0.00 4.02 4.06 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 0.00 0.00 0.00 0.00 123 F 8.24 5.01 0.00 3.35 3.02 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 0.00 0.00 0.00 0.00 124 I 7.84 4.92 1.71 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.87 0.87 0.00 0.00 125 A 9.60 4.81 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.71 4.66 0.00 1.83 1.88 0.00 3.31 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 127 D 8.64 4.88 0.00 2.91 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 V 8.60 3.87 2.10 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 0.81 0.00 0.00 0.95 0.00 0.00 129 T 8.13 4.34 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 0.00 130 D 7.90 4.73 0.00 2.69 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 0.00 131 N 8.85 4.70 0.00 2.85 3.07 0.00 0.00 6.92 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 9.17 5.07 0.00 1.80 2.07 0.00 3.17 0.00 0.00 3.28 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.40 0.00 133 A 8.00 5.28 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 0.00 134 F 8.90 4.79 0.00 3.32 3.13 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 0.00 135 G 9.19 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 7.55 5.67 0.00 3.30 3.15 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 0.00 137 V 9.55 5.18 2.48 0.00 0.00 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 1.34 0.00 0.00 138 C 9.54 5.25 0.00 3.11 3.10 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 0.00 139 G 8.08 4.34 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 0.00 140 G 8.42 3.87 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 0.00 0.00 0.00 141 E 8.40 4.13 0.00 1.98 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 0.00 2.33 2.32 0.00 142 G 9.51 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 143 Q 7.68 4.64 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 144 H 8.03 5.04 0.00 3.41 3.34 0.00 5.75 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Q 9.22 5.03 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 146 F 9.37 5.21 0.00 3.06 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 F 8.19 4.23 0.00 1.51 2.32 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 0.00 148 A 8.14 4.33 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 0.00 149 I 8.39 4.71 0.95 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.67 0.92 0.00 0.00 150 K 8.83 4.96 0.00 1.75 1.67 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.34 1.49 7.81 151 T 8.68 4.37 4.34 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 1.41 0.00 0.00 152 G 9.09 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 7.66 5.10 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.92 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 154 Q 8.61 4.28 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.09 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 155 A 9.00 4.14 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.22 3.74 0.00 2.05 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 0.00 2.36 2.42 0.00 157 P 0.00 4.44 0.00 2.41 2.36 0.00 3.61 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 2.20 2.09 0.00 158 L 7.27 3.29 0.00 1.03 1.29 0.03 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 159 V 7.23 3.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.62 0.00 0.00 160 V 8.05 3.45 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.88 0.00 0.00 161 D 7.77 4.54 0.00 2.90 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 L 7.50 3.39 0.00 1.40 0.94 0.69 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 163 K 7.55 3.62 0.00 1.75 1.87 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.41 7.81 164 D 8.41 4.40 0.00 3.05 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 L 8.05 3.56 0.00 0.37 1.23 0.60 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 166 F 7.89 4.48 0.00 3.14 2.96 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 0.00 167 Q 8.26 4.05 0.00 2.28 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 168 V 8.53 3.66 2.31 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 1.08 0.00 0.00 1.23 0.00 0.00 169 I 7.93 3.73 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.31 0.94 0.00 0.00 170 Y 8.04 4.04 0.00 3.25 3.28 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 0.00 171 N 8.55 4.18 0.00 2.95 2.99 0.00 0.00 6.72 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 V 7.84 3.56 2.23 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 1.02 0.00 0.00 1.00 0.00 0.00 173 K 7.78 4.18 0.00 1.89 1.77 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 174 K 7.80 3.67 0.00 1.50 1.67 0.00 1.76 0.00 0.00 1.54 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.11 1.44 7.81 175 K 7.99 3.82 0.00 1.98 1.83 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.60 7.81 176 E 8.19 3.92 0.00 2.13 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 0.00 2.32 2.64 0.00 177 E 8.02 3.96 0.00 2.24 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 0.00 2.30 2.45 0.00 178 D 7.95 4.47 0.00 2.75 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 K 7.69 4.20 0.00 1.75 2.01 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.46 7.81 180 K 7.72 4.52 0.00 1.77 1.79 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.74 7.81 181 K 7.85 4.19 0.00 1.85 1.63 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.65 7.81