NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9458 8.3393 109.7475 44.4634 0.0000 172.9437 3 P 4.4132 0.0000 0.0000 61.5229 32.1376 173.3835 4 N 5.0078 8.5121 117.0447 51.0927 40.8314 175.5245 5 P 3.4458 0.0000 0.0000 61.8542 30.4560 175.6074 *7 K 3.9605 7.7168 120.3134 57.6541 33.2582 173.9954 *9 Y 4.2054 8.0167 114.9694 57.6389 37.5608 173.1546 10 P 4.4544 0.0000 0.0000 62.5583 31.2955 176.4803 11 I 4.5310 7.5820 118.5892 60.2250 40.8500 174.6790 12 E 4.2241 9.3891 124.8364 56.6514 29.0250 173.6647 13 G 3.5198 7.7227 118.5438 43.7174 0.0000 171.7868 14 N 4.7645 7.4925 123.5069 50.9794 39.8484 175.2027 15 K 4.3690 8.5647 124.5827 57.5220 32.8500 178.1632 16 S 4.3453 10.5293 115.5174 61.1674 63.1497 174.3618 17 V 4.0614 8.0100 118.3533 63.5469 32.0456 174.8109 18 Q 4.2901 9.1110 125.8875 53.8307 32.0485 174.7041 19 F 5.2006 8.4968 123.2639 57.6670 39.5375 176.5013 20 I 3.9781 8.6103 127.5371 63.7274 36.8517 178.4263 21 K 3.9638 7.4678 117.7869 58.9341 31.9862 176.9308 22 P 4.3275 0.0000 0.0000 64.4446 31.5828 176.5534 23 I 4.3399 7.5584 117.2907 62.1343 39.4031 176.1840 24 L 4.1222 8.3085 120.1818 53.6924 42.2213 176.5757 *27 L 3.9500 8.2408 122.2649 54.2462 41.7505 176.4003 28 E 4.0169 8.5320 126.9841 56.9322 30.6668 176.4171 29 N 4.0475 8.4181 116.1895 53.1390 35.1334 174.5716 30 V 4.3869 7.3770 118.7272 61.6826 34.1658 174.0835 31 E 4.6867 9.5684 129.3378 54.3836 32.0410 174.7481 32 V 4.6382 8.2213 126.0083 61.0633 34.1610 175.0838 33 G 3.9635 9.1513 116.0994 45.5950 0.0000 172.4970 34 E 4.0888 8.3128 119.2490 56.6861 30.7621 177.8733 35 Y 3.1253 7.7151 118.2170 58.2309 36.9634 170.3492 36 S 4.7734 7.5763 116.8379 59.1516 64.0717 173.3394 37 Y 5.8719 8.7636 121.1968 55.6205 42.0527 172.9134 38 Y 4.5693 8.3853 117.4857 57.0020 42.4868 173.2276 39 D 4.8666 8.0299 127.2866 52.4862 42.3650 175.4679 40 S 3.8151 7.8318 121.9470 58.2456 62.6017 174.2708 41 K 4.1758 9.0352 127.3675 59.4492 32.2847 178.4922 42 N 4.8365 8.5305 113.8756 53.6431 40.2710 175.1024 43 G 4.1665 7.7876 109.2244 45.7570 0.0000 175.3942 44 E 4.2177 8.0213 116.9244 56.3947 30.5495 176.4146 45 T 5.5583 8.1247 109.5080 59.7779 70.6593 175.6524 46 F 3.9198 8.7739 124.5882 60.5981 39.3519 176.9172 47 D 4.1454 8.0266 119.7077 55.9365 39.3832 177.5140 48 K 4.3977 7.7253 117.6719 56.7441 31.9771 176.9974 49 Q 4.2546 7.6741 118.2322 55.5986 30.6452 175.1321 50 I 4.3489 6.7654 120.3647 59.9310 37.3810 175.0862 51 L 4.1110 8.6643 127.8544 53.2742 43.6385 176.5036 52 Y 2.7670 7.2800 117.1528 59.4981 34.8473 170.6102 53 H 4.4136 7.3969 118.2364 54.6292 30.7326 173.0702 54 Y 4.8963 7.8546 125.4222 55.5307 39.3887 174.6802 55 P 4.2319 0.0000 0.0000 65.5771 31.7220 178.5285 56 I 3.6818 7.9334 116.9275 63.6027 37.7538 176.0185 57 L 4.3494 9.5011 118.1625 54.1902 42.2644 176.0031 58 N 4.2223 8.2438 118.1057 55.3501 37.5992 173.5519 59 D 5.0912 8.1657 115.5978 51.6679 42.4535 178.4017 60 K 4.8135 8.9051 121.5979 54.3037 35.4327 174.9694 61 L 5.0747 8.3181 124.0305 53.9563 45.3745 176.0487 62 K 5.5913 8.9145 128.1920 52.7685 35.6317 172.8690 63 I 4.4798 8.3883 126.2519 58.8123 39.8845 176.3333 64 G 4.3549 8.0085 113.9113 45.4336 0.0000 172.4192 65 K 4.4854 8.2934 119.4617 55.1442 34.9411 176.6501 66 F 3.8677 7.9594 118.6758 59.1434 36.3802 174.5111 67 C 5.1484 7.8380 116.6167 58.5434 31.1520 174.4757 68 S 4.5151 8.6761 117.7801 57.0379 65.2020 172.9391 69 I 4.6109 7.4357 125.4984 59.4804 39.1315 176.6895 70 G 4.3259 8.7100 115.3529 44.1906 0.0000 170.8470 71 P 4.5799 0.0000 0.0000 63.2156 31.9714 177.3355 72 G 4.4929 8.9096 108.8222 46.6054 0.0000 172.7102 73 V 4.3835 7.5511 118.8249 62.6895 32.1753 175.5651 74 T 4.9334 8.5721 117.1749 59.9500 72.7316 172.7005 75 I 4.9072 8.6331 123.3936 59.7783 40.7979 174.7112 76 I 4.6827 8.3493 127.2944 59.6227 39.4004 176.4891 *78 N 4.6777 8.7116 120.1642 52.6286 40.4414 176.8620 79 G 3.7227 7.8922 108.2669 48.1568 0.0000 174.6914 80 A 4.1737 7.1017 122.0786 51.7793 18.6356 176.3433 81 N 4.9097 7.6611 115.5916 53.0917 41.5476 174.7661 82 H 4.5280 8.6164 119.9841 54.7790 29.8984 174.5863 83 R 4.0737 8.1211 121.1906 56.3447 30.5120 176.4350 *85 D 4.7417 8.4189 118.6906 52.7799 42.0384 175.6585 86 G 4.0445 7.3783 110.8018 44.3551 0.0000 174.1763 87 S 4.3106 8.8937 119.6926 58.5959 62.7293 173.4700 88 T 4.8638 8.2187 113.3633 60.6181 68.8913 173.3513 89 Y 4.0763 7.7994 123.9879 57.3198 39.4769 175.0377 90 P 4.5939 0.0000 0.0000 60.7989 30.1958 176.1052 91 F 4.0265 8.3592 123.6508 61.5334 39.4397 176.9483 92 N 5.2510 8.8539 116.6650 55.9166 37.0328 177.3184 93 L 3.4281 7.3134 119.7523 56.6645 42.5034 177.3336 94 F 4.6157 9.4920 117.0456 56.4393 41.8221 177.5177 95 G 3.7926 8.5616 108.8276 46.2089 0.0000 174.2399 96 N 4.2437 9.6985 120.7325 54.7493 35.9631 174.4242 97 G 4.1336 8.4170 109.5839 46.0703 0.0000 175.7722 98 W 4.9759 8.3034 118.1417 57.1854 29.3692 177.2065 99 E 4.3473 8.3646 118.2500 57.6974 29.3703 177.9307 100 K 4.2409 7.9043 120.0837 55.3608 32.3283 180.9846 101 H 4.8216 7.8768 115.6005 54.1342 30.4126 172.0130 *103 P 4.2048 0.0000 0.0000 62.0406 32.4355 176.5566 104 K 4.2408 8.1861 118.8729 56.2242 33.0554 178.3185 105 L 3.9471 8.6182 120.6646 58.4344 41.3755 179.3730 106 D 4.3504 8.2435 116.7159 57.9584 40.7350 178.9398 107 Q 4.1345 7.9144 117.2060 57.1009 29.0135 176.4285 108 L 4.5704 7.6367 119.7494 52.5080 43.2415 174.6243 109 P 4.5338 0.0000 0.0000 62.3947 32.4649 176.1910 110 I 4.5285 7.8350 112.0376 59.5291 39.0525 175.7104 111 K 4.0944 8.5747 124.5355 56.2146 32.6968 176.3155 112 G 3.8884 6.9039 103.5645 44.0444 0.0000 172.6683 113 D 5.0858 8.5795 118.8878 52.8186 44.2262 175.9021 114 T 4.6715 8.1314 118.9076 63.3387 70.2126 173.8958 115 I 5.0462 8.6311 126.3312 59.5312 41.3542 174.3074 116 I 4.5763 9.3053 128.5825 58.9813 39.8081 176.4156 117 G 4.0365 8.7365 117.3303 46.3280 0.0000 171.9798 118 N 4.8571 10.9700 119.9629 51.9393 41.5649 175.4534 119 D 5.2440 8.5914 119.6365 54.7771 40.7949 174.0857 120 V 4.1787 7.1014 117.5805 61.2390 33.4934 174.5994 121 W 5.3531 9.0321 133.3354 55.8010 33.4441 173.9874 122 I 4.7307 8.8709 127.6110 59.4518 40.2971 175.7280 123 G 3.9254 7.9232 113.2482 43.9992 0.0000 172.4745 124 K 3.9393 8.5694 119.8086 57.6748 33.0081 176.2172 125 D 4.9765 9.1923 126.6768 54.4056 39.0805 173.9266 126 V 4.0106 7.2809 117.7772 62.8299 33.5791 174.9198 127 V 4.5536 8.5382 122.8848 61.4829 34.5816 175.2256 128 I 4.4616 8.4264 129.7803 59.5012 40.0445 172.8593 *130 P 4.5167 0.0000 0.0000 63.6846 32.4157 177.1914 131 G 4.0684 8.3374 113.0625 45.6900 0.0000 173.0149 132 V 4.4714 7.0722 111.8762 59.6609 35.3688 177.1948 133 K 4.9246 8.5666 122.3321 55.7699 34.7710 175.9813 134 I 4.7654 8.2662 122.5674 59.8240 41.2833 175.5203 135 G 4.2209 8.6209 115.2477 45.9399 0.0000 172.1618 136 D 4.2137 8.4943 119.4489 54.6379 42.1345 177.9976 137 G 2.6793 8.3539 110.1759 45.3763 0.0000 173.1207 138 A 4.6057 7.1813 121.2162 51.0608 21.0179 177.2114 139 I 5.0754 7.9827 118.7851 59.7343 40.9329 174.7527 140 V 4.7111 8.2929 127.2282 59.7785 33.4094 175.6848 141 A 3.9618 8.6056 126.4628 50.9124 19.8582 176.3743 142 A 3.8378 8.3357 120.8169 53.3019 18.9569 177.3601 143 N 4.4530 8.5082 117.0998 53.8075 36.9643 174.7434 144 S 4.6893 7.5182 113.5509 58.0281 65.0522 173.9056 145 V 4.4588 9.2996 124.2641 61.3280 33.3128 174.4391 146 V 4.2881 8.5218 129.5253 61.4006 32.1882 176.0341 147 V 4.4750 7.9661 120.4966 60.2749 32.9258 174.9105 148 K 4.4263 7.8942 117.5235 55.1584 34.7476 174.5443 149 D 4.6767 8.9197 126.1165 55.4483 41.5776 176.1120 150 I 4.6421 8.6852 122.0970 59.4828 40.5949 174.9293 151 A 4.8486 8.1836 126.3750 49.9039 20.5267 175.3755 152 P 4.1624 0.0000 0.0000 64.5908 32.4169 175.4550 153 Y 4.0134 8.5142 119.0369 57.3430 35.7169 169.2365 *155 L 4.5686 7.9381 124.5616 54.8352 43.7877 175.2088 156 A 5.0276 9.0367 126.4281 50.5095 23.5004 174.6796 157 G 4.2209 8.5884 105.1642 46.3818 0.0000 171.8355 158 G 4.0789 7.6162 105.3571 43.8952 0.0000 173.0847 159 N 5.2328 8.0273 117.0764 51.5535 39.1236 171.3700 160 P 4.8350 0.0000 0.0000 61.3647 32.9283 176.4653 161 A 4.8578 8.5711 124.3727 52.1651 19.4502 176.1738 162 N 5.0905 8.3674 116.2329 51.1789 43.9648 173.2915 163 E 4.4859 8.6703 119.4788 56.6804 30.0338 176.8677 164 I 4.0987 8.9024 126.4624 62.4532 37.9285 176.0119 165 K 4.5171 7.2434 115.5478 55.6290 34.8200 174.9882 166 Q 4.2872 8.4525 119.5380 55.7771 29.3107 176.4922 167 R 3.9159 8.8987 123.5083 58.9719 30.6517 176.5225 168 F 5.4292 7.5221 116.7462 56.4520 41.3582 174.6531 169 D 4.9768 8.5480 121.9803 53.0745 42.4445 177.2109 170 Q 3.9947 8.6141 120.6011 59.7097 28.5243 177.9469 171 D 4.4557 8.3742 117.3506 57.9520 41.2970 178.2446 172 T 3.7317 9.0168 114.9250 66.8315 68.8021 175.8639 173 I 3.4445 8.3747 123.8236 65.6101 37.5370 178.9482 174 N 4.4647 8.9290 120.3513 57.0517 37.2074 178.8594 175 Q 4.2364 8.3172 120.2459 59.5690 29.2968 177.6004 176 L 3.8439 7.9182 119.4326 58.1687 41.3388 179.6836 177 L 4.1518 7.6753 117.6362 57.6644 41.6661 178.7943 178 D 4.4959 7.3925 116.6435 57.5343 40.9087 178.4103 179 I 3.8436 7.8052 117.6652 61.3279 39.6041 175.7241 180 K 2.4800 7.7695 118.5148 56.3969 29.6545 175.8340 181 W 2.0000 5.8702 116.6823 58.0617 28.5591 178.7372 182 W 4.0975 5.3797 114.1629 57.7448 27.5491 175.9724 183 N 4.8863 7.4341 115.6919 53.4503 39.6880 175.3155 184 W 4.6782 7.4785 117.1520 56.3788 29.9662 174.2791 185 P 4.5075 0.0000 0.0000 62.8939 31.5954 177.2441 186 I 3.8966 8.6208 120.4350 64.2695 37.6671 177.9424 187 D 4.4147 8.2406 119.4687 57.7414 40.5144 178.8826 188 I 3.7051 7.5568 118.3761 64.0925 37.3640 178.3163 189 I 4.1485 7.9382 120.4144 64.7062 36.8673 178.0039 190 N 4.3775 8.3845 116.2210 56.3817 38.3593 177.0417 191 E 4.1777 7.7712 119.5322 58.1663 29.8817 177.1634 192 N 5.0675 7.9533 116.1498 52.5877 40.0464 177.1794 193 I 3.4600 7.9906 120.2977 64.7307 37.1034 177.5370 194 D 4.5199 8.1372 121.2083 57.1786 40.7875 178.4611 195 K 4.5250 7.5715 123.7814 56.7053 31.7706 182.6123 196 I 4.0159 7.7765 118.5119 62.5098 38.1896 176.7288 197 L 4.4543 6.9356 117.9009 54.6355 41.8101 176.7589 198 D 4.5607 7.1479 114.9696 52.5364 41.3092 174.3131 199 N 4.0848 8.0690 116.5428 55.2752 36.6955 174.5165 200 S 4.5516 7.5768 111.7737 58.2254 64.5743 176.0487 201 I 3.9606 7.5030 111.4690 61.6019 36.8449 175.9913 202 I 4.0616 8.4549 121.5639 61.4026 37.4067 175.1747 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 2 G 8.34 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 3 P 0.00 4.41 0.00 2.65 2.27 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.20 0.00 4 N 8.51 5.01 0.00 2.78 2.87 0.00 0.00 6.94 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 3.45 0.00 1.52 0.49 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.53 0.00 *7 K 7.72 3.96 0.00 1.88 1.96 0.00 2.04 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.58 7.81 *9 Y 8.02 4.21 0.00 3.10 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 10 P 0.00 4.45 0.00 1.87 1.63 0.00 3.40 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.44 0.00 11 I 7.58 4.53 1.86 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 1.23 0.51 0.89 0.00 0.00 12 E 9.39 4.22 0.00 1.95 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 2.29 2.25 0.00 13 G 7.72 3.52 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 0.00 0.00 0.00 14 N 7.49 4.76 0.00 2.68 2.74 0.00 0.00 6.99 6.68 0.00 0.00 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 K 8.56 4.37 0.00 1.78 1.76 0.00 1.46 0.00 0.00 1.38 0.00 0.00 2.63 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.25 7.81 16 S 10.53 4.35 0.00 4.16 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 17 V 8.01 4.06 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 0.77 0.00 0.00 0.96 0.00 0.00 18 Q 9.11 4.29 0.00 2.09 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.77 0.00 0.00 0.00 0.00 0.00 1.83 2.55 0.00 19 F 8.50 5.20 0.00 3.18 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.61 3.98 1.79 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 1.17 0.67 0.91 0.00 0.00 21 K 7.47 3.96 0.00 1.71 1.71 0.00 1.60 0.00 0.00 1.47 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.36 1.51 7.81 22 P 0.00 4.33 0.00 2.18 2.16 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 23 I 7.56 4.34 2.02 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 1.26 0.51 0.96 0.00 0.00 24 L 8.31 4.12 0.00 1.61 1.60 1.08 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 *27 L 8.24 3.95 0.00 1.53 1.65 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.53 4.02 0.00 1.97 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 0.00 2.33 2.28 0.00 29 N 8.42 4.05 0.00 2.76 2.77 0.00 0.00 6.00 7.67 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 30 V 7.38 4.39 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 0.90 0.00 0.00 0.90 0.00 0.00 31 E 9.57 4.69 0.00 2.13 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 32 V 8.22 4.64 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 0.81 0.00 0.00 0.93 0.00 0.00 33 G 9.15 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 34 E 8.31 4.09 0.00 1.61 1.12 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 2.05 2.14 0.00 35 Y 7.72 3.13 0.00 2.09 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 36 S 7.58 4.77 0.00 3.72 3.73 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 37 Y 8.76 5.87 0.00 3.28 3.34 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 38 Y 8.39 4.57 0.00 2.51 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 39 D 8.03 4.87 0.00 2.70 2.40 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 40 S 7.83 3.82 0.00 4.12 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.04 4.18 0.00 1.88 2.14 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.38 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.54 7.81 42 N 8.53 4.84 0.00 2.75 2.76 0.00 0.00 7.29 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.79 4.17 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 0.00 44 E 8.02 4.22 0.00 2.15 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 0.00 2.47 2.48 0.00 45 T 8.12 5.56 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 46 F 8.77 3.92 0.00 2.71 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 47 D 8.03 4.15 0.00 2.87 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 48 K 7.73 4.40 0.00 1.73 1.80 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.67 1.54 7.81 49 Q 7.67 4.25 0.00 0.93 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.81 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 50 I 6.77 4.35 1.64 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.17 0.84 0.00 0.00 51 L 8.66 4.11 0.00 1.56 0.75 0.92 0.60 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 52 Y 7.28 2.77 0.00 3.03 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 53 H 7.40 4.41 0.00 2.91 3.06 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.85 4.90 0.00 3.03 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.23 0.00 2.20 2.32 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 56 I 7.93 3.68 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.75 1.00 0.00 0.00 57 L 9.50 4.35 0.00 1.78 1.74 1.07 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 58 N 8.24 4.22 0.00 2.86 2.92 0.00 0.00 6.90 8.00 0.00 0.00 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 8.17 5.09 0.00 2.48 2.40 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 60 K 8.91 4.81 0.00 1.89 1.74 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.37 7.81 61 L 8.32 5.07 0.00 1.75 1.49 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.91 5.59 0.00 1.43 1.61 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.26 1.11 7.81 63 I 8.39 4.48 1.81 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.78 0.82 0.00 0.00 64 G 8.01 4.35 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 0.00 65 K 8.29 4.49 0.00 1.63 1.40 0.00 1.99 0.00 0.00 2.02 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.35 7.81 66 F 7.96 3.87 0.00 3.23 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.84 5.15 0.00 2.86 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 68 S 8.68 4.52 0.00 3.90 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 69 I 7.44 4.61 1.71 0.00 0.00 0.44 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 0.58 0.93 0.00 0.00 70 G 8.71 4.33 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 0.00 71 P 0.00 4.58 0.00 2.22 2.21 0.00 3.92 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.91 0.00 72 G 8.91 4.49 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 0.00 0.00 0.00 73 V 7.55 4.38 2.42 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 0.88 0.00 0.00 1.14 0.00 0.00 74 T 8.57 4.93 4.20 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 0.00 0.00 1.22 0.00 0.00 75 I 8.63 4.91 1.75 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.68 0.85 0.00 0.00 76 I 8.35 4.68 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.31 0.85 0.00 0.00 *78 N 8.71 4.68 0.00 2.78 2.87 0.00 0.00 6.76 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.22 4.86 4.39 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 1.25 0.00 0.00 89 Y 7.80 4.08 0.00 2.73 2.34 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 90 P 0.00 4.59 0.00 2.07 1.95 0.00 2.88 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 91 F 8.36 4.03 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.85 5.25 0.00 2.93 3.20 0.00 0.00 6.35 6.67 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 93 L 7.31 3.43 0.00 1.58 0.55 0.60 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 94 F 9.49 4.62 0.00 3.23 3.06 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 95 G 8.56 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 96 N 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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 0.00 106 D 8.24 4.35 0.00 2.64 2.77 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 0.00 107 Q 7.91 4.13 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 108 L 7.64 4.57 0.00 1.74 1.60 0.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.53 0.00 2.15 2.04 0.00 3.46 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 110 I 7.83 4.53 1.87 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 1.41 0.88 0.91 0.00 0.00 111 K 8.57 4.09 0.00 1.80 1.93 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.35 7.81 112 G 6.90 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 0.00 0.00 0.00 113 D 8.58 5.09 0.00 2.57 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 122 I 8.87 4.73 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.47 0.85 0.00 0.00 123 G 7.92 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 0.00 0.00 0.00 124 K 8.57 3.94 0.00 1.86 1.74 0.00 1.89 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.64 1.53 7.81 125 D 9.19 4.98 0.00 3.04 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 0.00 126 V 7.28 4.01 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 0.89 0.00 0.00 0.95 0.00 0.00 127 V 8.54 4.55 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 0.99 0.00 0.00 0.93 0.00 0.00 128 I 8.43 4.46 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.74 0.88 0.00 0.00 *130 P 0.00 4.52 0.00 2.02 1.99 0.00 3.81 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.10 0.00 131 G 8.34 4.07 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 0.00 132 V 7.07 4.47 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 0.80 0.00 0.00 0.90 0.00 0.00 133 K 8.57 4.92 0.00 1.65 1.68 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.57 1.59 7.81 134 I 8.27 4.77 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.53 0.84 0.00 0.00 135 G 8.62 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 0.00 0.00 0.00 0.00 136 D 8.49 4.21 0.00 2.74 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 0.00 0.00 0.00 137 G 8.35 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.18 4.61 1.16 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 0.00 139 I 7.98 5.08 1.86 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.80 0.69 0.00 0.00 140 V 8.29 4.71 1.98 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 0.70 0.00 0.00 0.82 0.00 0.00 141 A 8.61 3.96 1.14 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 0.00 0.00 0.00 0.00 0.00 142 A 8.34 3.84 1.18 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 0.00 0.00 143 N 8.51 4.45 0.00 2.87 2.90 0.00 0.00 6.96 7.15 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 0.00 144 S 7.52 4.69 0.00 3.66 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 0.00 145 V 9.30 4.46 2.17 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 1.00 0.00 0.00 0.91 0.00 0.00 146 V 8.52 4.29 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 0.79 0.00 0.00 0.88 0.00 0.00 147 V 7.97 4.48 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 0.74 0.00 0.00 0.91 0.00 0.00 148 K 7.89 4.43 0.00 1.69 1.59 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.41 7.81 149 D 8.92 4.68 0.00 2.57 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 0.00 150 I 8.69 4.64 1.83 0.00 0.00 0.81 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 1.13 0.88 0.00 0.00 151 A 8.18 4.85 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 0.00 152 P 0.00 4.16 0.00 2.13 2.22 0.00 3.88 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 2.13 2.21 0.00 153 Y 8.51 4.01 0.00 3.26 2.97 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 *155 L 7.94 4.57 0.00 1.77 1.72 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 156 A 9.04 5.03 1.16 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 0.00 157 G 8.59 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 0.00 0.00 0.00 0.00 158 G 7.62 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 N 8.03 5.23 0.00 2.66 2.65 0.00 0.00 6.93 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 P 0.00 4.83 0.00 2.09 2.00 0.00 3.81 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 161 A 8.57 4.86 1.23 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 0.00 0.00 0.00 162 N 8.37 5.09 0.00 2.66 2.68 0.00 0.00 7.04 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 0.00 163 E 8.67 4.49 0.00 1.95 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 2.30 2.31 0.00 164 I 8.90 4.10 1.98 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 1.33 0.64 0.90 0.00 0.00 165 K 7.24 4.52 0.00 1.82 1.74 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.43 7.81 166 Q 8.45 4.29 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.04 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 167 R 8.90 3.92 0.00 1.29 1.13 0.00 3.03 0.00 0.00 3.43 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 168 F 7.52 5.43 0.00 3.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 D 8.55 4.98 0.00 2.97 2.83 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 0.00 170 Q 8.61 3.99 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.87 0.00 0.00 0.00 0.00 0.00 2.63 2.40 0.00 171 D 8.37 4.46 0.00 2.67 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 0.00 172 T 9.02 3.73 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 0.97 0.00 0.00 173 I 8.37 3.44 1.98 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.29 1.03 0.00 0.00 174 N 8.93 4.46 0.00 2.66 2.83 0.00 0.00 6.79 7.39 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 0.00 175 Q 8.32 4.24 0.00 2.30 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 176 L 7.92 3.84 0.00 1.71 1.84 0.58 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 177 L 7.68 4.15 0.00 1.88 1.82 1.04 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 178 D 7.39 4.50 0.00 2.86 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 I 7.81 3.84 1.96 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.53 0.91 0.00 0.00 180 K 7.77 2.48 0.00 1.63 1.29 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.35 7.81 181 W 5.87 2.00 0.00 2.28 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 0.00 0.00 0.00 182 W 5.38 4.10 0.00 3.25 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 0.00 183 N 7.43 4.89 0.00 2.81 2.95 0.00 0.00 6.91 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 0.00 184 W 7.48 4.68 0.00 3.57 3.12 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 0.00 0.00 0.00 185 P 0.00 4.51 0.00 2.24 2.07 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 186 I 8.62 3.90 2.09 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 1.03 0.00 0.00 187 D 8.24 4.41 0.00 2.77 2.73 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 0.00 188 I 7.56 3.71 1.97 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 1.26 0.23 0.25 0.00 0.00 189 I 7.94 4.15 2.20 0.00 0.00 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 2.11 1.56 0.93 0.00 0.00 190 N 8.38 4.38 0.00 2.84 2.89 0.00 0.00 7.14 7.22 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 0.00 191 E 7.77 4.18 0.00 2.03 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 2.31 2.46 0.00 192 N 7.95 5.07 0.00 2.83 2.77 0.00 0.00 6.96 7.01 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 0.00 193 I 7.99 3.46 1.79 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 1.47 0.81 0.79 0.00 0.00 194 D 8.14 4.52 0.00 2.62 2.66 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 0.00 195 K 7.57 4.52 0.00 1.74 1.79 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.20 7.81 196 I 7.78 4.02 1.31 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.87 -1.09 0.00 0.00 197 L 6.94 4.45 0.00 1.40 1.62 0.84 0.81 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 0.00 198 D 7.15 4.56 0.00 2.64 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 0.00 199 N 8.07 4.08 0.00 2.55 2.65 0.00 0.00 6.97 7.63 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 0.00 200 S 7.58 4.55 0.00 3.94 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 0.00 201 I 7.50 3.96 2.09 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.53 0.97 0.00 0.00 202 I 8.45 4.06 1.82 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.67 0.87 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.