NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.2931 8.2493 123.5766 52.0912 19.7890 174.6461 10 R 4.3152 7.9710 112.9041 54.9854 31.2022 173.4345 11 N 5.2184 8.1723 114.1868 49.7640 42.5502 174.3207 12 P 5.3742 0.0000 0.0000 62.3062 32.5026 175.4563 13 I 4.2283 7.8721 114.6718 59.3268 39.3049 174.8942 14 Y 4.6800 8.1979 122.1569 55.7666 40.2347 176.1755 15 F 4.2700 9.1760 123.9620 61.6736 39.3195 177.6494 16 E 3.8610 8.2760 115.9928 58.9543 29.6027 178.1786 17 S 4.2104 8.0650 115.6826 60.9077 63.1202 174.7465 18 I 4.0173 7.2395 122.2777 60.6806 37.4080 175.2099 19 Q 4.5002 9.4032 123.8040 53.5705 30.7786 175.1536 20 I 3.7643 8.2061 121.9388 63.1009 37.4975 175.6439 21 G 4.0814 8.6225 113.0267 45.5452 0.0000 174.2066 22 E 4.1599 8.0639 119.8974 56.3500 30.4502 176.1000 23 K 5.1526 8.6475 124.3717 54.6836 35.5637 174.8430 24 I 4.5275 9.1644 127.3849 59.5141 39.8432 174.0356 25 E 4.7695 8.8201 128.1030 54.4143 30.5830 175.7198 26 G 3.9336 8.7807 115.0814 45.4956 0.0000 172.3168 27 L 4.3724 8.2539 122.8180 53.4097 42.7644 174.9694 28 P 4.8541 0.0000 0.0000 62.9826 32.3349 175.8735 29 R 4.7136 8.4408 117.7512 55.0956 33.2968 174.1307 30 T 4.7737 8.4726 118.9108 63.0449 69.1629 174.8681 31 V 3.9828 8.5647 127.8149 61.9421 32.3657 175.5137 32 T 4.8305 8.8684 117.6092 59.2896 70.9730 174.1773 33 E 4.0917 8.8648 123.3513 59.8830 29.4138 178.5228 34 T 3.9599 8.0392 115.0906 66.8979 68.4701 175.9092 35 D 4.3702 8.0064 119.9136 57.4750 40.8939 178.5928 36 I 3.7557 7.9017 120.0548 64.4678 37.1993 178.6276 37 W 3.2240 8.8732 119.9668 59.6284 28.6961 178.7720 38 T 3.7817 8.2052 116.1146 66.5835 67.9352 176.4450 39 F 3.8889 8.2089 122.2876 61.0539 39.3921 176.9617 40 A 3.6135 7.8489 120.5833 55.0897 17.9512 179.0597 41 Y 4.3998 7.9385 115.5262 61.4354 37.8157 178.5134 42 L 3.9409 7.9049 120.1547 58.0158 42.2016 178.2604 43 T 4.1320 7.4194 105.7881 60.2147 69.2984 174.0937 44 A 3.8415 7.5680 123.1453 53.5029 16.8252 176.9791 45 D 4.7611 7.7161 118.9786 54.3559 42.4717 176.3803 46 F 4.2821 8.4388 129.8050 55.7371 38.1629 176.2011 47 F 4.0478 8.1378 123.5671 57.2410 40.2898 173.7867 48 P 3.8998 0.0000 0.0000 65.6562 30.3929 178.0894 49 L 4.1372 7.0491 119.9052 57.5018 42.3192 177.8397 50 H 4.7383 8.2934 115.1919 56.7258 29.5943 175.8064 51 T 4.4512 7.6407 106.2867 60.8009 69.3195 173.2822 52 D 4.7581 8.2892 122.1677 51.9857 41.7910 175.8371 53 V 3.7430 8.7445 126.4222 66.2923 31.2062 177.3620 54 E 4.0570 8.2752 116.3170 59.3026 29.7497 178.6790 55 F 4.1623 8.9351 120.6255 61.3097 39.5407 176.8792 56 A 4.2694 8.4488 120.4289 55.4154 17.8754 179.5645 57 K 4.4409 7.5354 116.4451 58.7739 32.2104 178.1027 58 K 4.2111 7.6603 115.5897 56.6724 32.1635 176.6049 59 T 4.4163 7.5581 110.8851 59.6605 70.6189 175.3898 60 I 3.7392 8.0513 120.8274 62.8128 37.9899 176.1543 61 F 4.6793 8.0285 117.2801 57.7288 40.1456 176.6003 62 G 4.4067 8.5106 113.3658 45.2250 0.0000 173.6460 63 K 5.0128 7.8277 116.5413 53.1655 34.9449 173.9169 64 P 4.8112 0.0000 0.0000 62.6827 32.1569 175.2893 65 I 4.7543 7.5354 111.5405 58.6386 40.6571 174.9373 66 A 4.1099 8.2895 124.7942 51.8368 19.2006 177.5993 67 Q 3.5849 8.1237 118.7657 54.5935 30.3886 179.0881 68 G 2.9066 7.8763 111.9576 45.2101 0.0000 175.4176 *70 L 3.2340 8.1530 122.4530 54.2809 43.8395 178.7599 71 V 3.4806 7.3820 117.6431 65.7761 31.2254 177.7260 72 L 3.9216 8.0818 120.1769 58.2144 41.9613 179.1401 73 S 4.0862 7.8611 114.5219 61.7947 62.6610 176.6360 74 I 3.6759 7.8136 121.2583 64.0963 36.8273 178.1513 75 A 4.0767 7.8637 120.8476 55.2910 18.5549 179.2173 76 L 4.0063 8.1263 117.5889 57.7031 41.5841 180.6788 77 G 3.8367 7.9393 102.5942 45.3435 0.0000 175.3613 *79 V 3.9812 7.7403 122.2994 62.5513 33.4163 177.1039 80 D 4.2448 8.1469 118.7642 57.1905 40.7149 177.7639 81 Q 3.9716 8.0470 120.3208 59.2103 28.6901 178.8125 82 V 3.6024 7.3449 118.5795 65.9104 31.9193 177.8651 83 I 4.0457 7.6768 119.0943 64.5077 36.8661 178.0609 84 L 4.0654 8.3620 119.1592 57.2189 41.4848 178.2689 85 S 4.6474 7.4647 110.4051 58.1671 63.2483 173.9874 86 N 4.8107 8.0244 116.5103 53.0474 40.3884 173.6918 87 Y 5.0315 7.6520 114.2289 56.1539 42.9338 174.3843 88 D 4.5614 8.6059 121.1508 53.2790 42.1474 176.6170 89 V 3.9571 8.3023 119.6462 61.5512 31.5420 178.5611 90 S 4.1787 8.1858 117.3328 60.7249 62.9482 175.4439 91 S 4.1648 7.8065 114.9305 59.4994 63.3638 173.5336 92 V 3.9607 7.4379 121.7206 62.4651 30.2488 176.0251 93 I 4.0438 8.4745 128.3434 63.8276 37.5454 176.0538 94 A 4.6225 8.0721 121.4504 50.8131 23.3060 174.9201 95 F 4.9173 8.7817 122.2161 57.6291 39.2371 175.4032 96 F 4.0842 9.6801 129.9516 59.5120 39.5590 175.3651 97 G 3.9257 7.5169 101.5764 46.0534 0.0000 171.1369 98 I 5.0051 8.2036 119.9068 59.5360 39.1445 176.0235 99 K 4.1756 9.4550 130.1786 58.7812 32.2043 176.2283 100 D 4.9084 7.9071 118.5085 52.4677 45.2852 173.5363 101 V 4.7096 8.2019 122.9846 61.2432 34.7308 174.3616 102 R 4.3399 8.9286 126.8056 54.3705 33.2266 174.8535 103 F 4.7441 8.5981 123.4777 56.7261 38.5896 176.0002 104 L 4.2757 8.6860 123.7217 57.0541 41.8231 177.2877 105 R 4.9186 7.9520 117.4364 53.5745 33.1257 172.8621 106 P 4.3454 0.0000 0.0000 62.5064 32.8685 175.3765 107 V 4.2917 7.7840 121.1696 61.3546 33.4389 175.1860 108 F 4.9429 9.5100 127.2182 56.0487 40.2680 176.8892 109 I 3.6936 8.6794 123.3812 64.0246 36.9098 177.1946 110 G 4.0829 7.9830 106.0293 45.0629 0.0000 173.1316 111 D 4.8631 8.3027 120.7268 54.0348 42.3356 175.7300 112 T 4.9537 8.5045 117.7785 61.9966 71.0149 173.2643 113 I 4.6378 8.2852 120.2131 59.6640 40.3548 174.7220 114 A 4.9530 9.1322 124.9215 50.2829 22.4338 174.9371 115 A 5.4278 8.6647 123.1065 50.2154 22.7411 175.3097 116 S 5.1538 9.3350 113.6022 56.6611 67.1141 172.7889 117 A 5.4056 9.0252 123.0423 50.2597 22.4079 174.5766 118 E 5.0620 9.1416 122.0511 54.0406 33.4441 174.9593 119 V 3.7352 8.6537 127.3598 63.2532 32.0200 176.3744 120 V 4.3810 8.3213 120.1034 61.1390 33.7021 175.2134 121 E 4.7222 7.5327 119.6753 55.1379 33.0383 173.8343 122 K 5.1671 8.4232 123.1570 55.0575 36.2423 175.6578 123 Q 4.6702 9.1307 123.1101 53.8496 32.5308 174.6151 124 D 4.4612 8.9643 123.2997 54.6570 41.7995 174.5547 125 F 4.6361 8.6344 123.7080 59.2288 41.6567 174.2711 126 D 4.5247 7.9611 117.5061 52.2849 41.7719 175.0817 127 E 4.2034 8.7295 115.9021 58.3079 29.8580 177.2581 128 K 4.5122 8.2567 118.3078 56.1829 33.8067 175.1233 129 S 4.9115 7.6151 111.5047 57.7339 66.6893 174.0981 130 G 3.5148 8.2471 106.5829 44.4370 0.0000 171.6562 131 V 4.5946 8.2424 114.0916 59.4361 33.8757 175.2593 132 V 4.8015 8.7618 125.2072 61.4309 34.0292 174.2105 133 T 4.9422 8.5712 124.4060 62.0346 71.0474 173.0165 134 Y 4.8531 9.1524 124.0615 55.9053 41.6007 174.4599 135 K 4.8799 9.0688 124.3260 54.8820 34.2447 174.5808 136 L 5.2182 9.6124 131.2515 53.7766 44.3843 174.8984 137 E 5.0903 9.4793 125.0397 54.6034 33.6935 174.5584 138 V 4.9475 8.8023 124.0441 61.0578 34.4220 174.4361 139 K 5.2381 9.2769 126.8915 54.8080 36.5706 175.8017 140 N 5.1847 8.9156 120.6524 50.7154 39.9445 175.5982 141 Q 4.0858 8.8968 115.8273 58.7381 28.3718 177.6915 142 R 4.4348 8.3103 115.5057 55.7844 29.8977 178.5168 143 G 4.0044 8.1568 107.5017 46.9256 0.0000 175.0419 144 E 3.9747 7.7232 119.9528 56.2358 29.9630 176.0587 145 L 4.7255 8.3591 124.7787 54.6212 42.2255 176.3195 146 V 4.2276 8.7336 121.0265 62.9564 33.3940 176.1533 147 L 5.1185 7.6074 120.3110 53.9147 45.8852 174.5871 148 T 5.2097 8.6661 117.9967 60.7922 71.2359 172.2506 149 A 5.0201 8.8664 127.4037 51.1771 23.6961 174.7191 150 L 5.4791 9.3115 121.5867 53.5263 44.8641 175.0498 151 Y 5.6900 8.9345 123.7247 55.5260 42.2341 174.2398 152 S 5.3887 10.0241 114.1228 56.8453 66.9862 172.6336 153 A 5.4066 9.2951 123.1284 50.2168 22.7561 174.8126 154 L 4.7069 9.2819 123.5554 53.7539 43.5614 175.3920 155 I 4.9844 8.3841 120.3793 58.5995 40.7926 175.1907 156 R 4.5790 9.3151 125.9922 56.8741 31.1098 175.6233 157 K 5.1064 8.6755 124.5318 55.1837 33.8182 176.9824 158 T 2.9101 8.2142 118.7868 63.1264 68.9613 172.8452 159 P 4.3713 0.0000 0.0000 63.0409 31.5691 176.0415 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 9 A 8.25 4.29 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.97 4.32 0.00 1.85 1.76 0.00 2.99 0.00 0.00 3.17 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 11 N 8.17 5.22 0.00 2.75 2.83 0.00 0.00 6.59 8.03 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 12 P 0.00 5.37 0.00 1.56 1.93 0.00 3.39 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.86 0.00 13 I 7.87 4.23 1.58 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.47 0.15 0.00 0.00 14 Y 8.20 4.68 0.00 3.14 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 15 F 9.18 4.27 0.00 3.06 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 16 E 8.28 3.86 0.00 2.09 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 0.00 2.35 2.29 0.00 17 S 8.06 4.21 0.00 3.99 3.94 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 18 I 7.24 4.02 1.74 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 1.46 0.71 0.76 0.00 0.00 19 Q 9.40 4.50 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.22 0.00 20 I 8.21 3.76 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 1.21 0.40 0.90 0.00 0.00 21 G 8.62 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 22 E 8.06 4.16 0.00 1.94 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 2.32 2.50 0.00 23 K 8.65 5.15 0.00 1.73 1.65 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.63 7.81 24 I 9.16 4.53 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.75 0.94 0.00 0.00 25 E 8.82 4.77 0.00 1.95 1.86 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 2.21 2.36 0.00 26 G 8.78 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 27 L 8.25 4.37 0.00 1.61 1.58 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.85 0.00 1.98 1.97 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 29 R 8.44 4.71 0.00 1.81 1.96 0.00 2.76 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 30 T 8.47 4.77 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 1.34 0.00 0.00 31 V 8.56 3.98 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 0.71 0.00 0.00 0.89 0.00 0.00 32 T 8.87 4.83 4.26 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 1.34 0.00 0.00 33 E 8.86 4.09 0.00 2.05 1.88 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 2.04 2.14 0.00 34 T 8.04 3.96 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 1.26 0.00 0.00 35 D 8.01 4.37 0.00 3.06 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.90 3.76 2.27 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 1.87 1.05 0.66 0.00 0.00 37 W 8.87 3.22 0.00 3.37 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 38 T 8.21 3.78 4.45 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 1.28 0.00 0.00 39 F 8.21 3.89 0.00 3.15 3.04 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 0.00 0.00 0.00 40 A 7.85 3.61 0.11 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 41 Y 7.94 4.40 0.00 3.10 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 42 L 7.90 3.94 0.00 1.62 1.68 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.42 4.13 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 0.40 0.00 0.00 44 A 7.57 3.84 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 45 D 7.72 4.76 0.00 2.64 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.44 4.28 0.00 2.98 2.95 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 47 F 8.14 4.05 0.00 3.24 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 48 P 0.00 3.90 0.00 0.49 1.63 0.00 2.31 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.80 0.00 49 L 7.05 4.14 0.00 1.87 1.68 0.87 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.29 4.74 0.00 3.02 3.10 0.00 5.65 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.64 4.45 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 -0.32 0.00 0.00 52 D 8.29 4.76 0.00 2.62 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.74 3.74 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 1.08 0.00 0.00 1.05 0.00 0.00 54 E 8.28 4.06 0.00 2.14 2.07 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 2.36 2.46 0.00 55 F 8.94 4.16 0.00 3.07 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 56 A 8.45 4.27 1.57 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 57 K 7.54 4.44 0.00 1.96 1.92 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.61 7.81 58 K 7.66 4.21 0.00 1.50 1.69 0.00 1.52 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.29 7.81 59 T 7.56 4.42 4.42 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 1.33 0.00 0.00 60 I 8.05 3.74 1.67 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.66 0.05 0.00 0.00 61 F 8.03 4.68 0.00 3.25 3.30 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 0.00 0.00 0.00 0.00 62 G 8.51 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.83 5.01 0.00 1.98 1.88 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.17 7.81 64 P 0.00 4.81 0.00 2.33 2.19 0.00 3.84 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 65 I 7.54 4.75 1.45 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.46 0.20 0.00 0.00 66 A 8.29 4.11 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 67 Q 8.12 3.58 0.00 1.46 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.17 0.00 0.00 0.00 0.00 0.00 2.24 1.54 0.00 68 G 7.88 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 0.00 0.00 0.00 *70 L 8.15 3.23 0.00 0.43 1.32 0.74 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.38 3.48 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 0.91 0.00 0.00 0.84 0.00 0.00 72 L 8.08 3.92 0.00 1.97 1.66 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 73 S 7.86 4.09 0.00 3.98 3.92 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 74 I 7.81 3.68 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 1.42 0.55 0.88 0.00 0.00 75 A 7.86 4.08 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 76 L 8.13 4.01 0.00 1.55 1.45 0.85 0.31 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 77 G 7.94 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 *79 V 7.74 3.98 2.15 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 0.92 0.00 0.00 0.94 0.00 0.00 80 D 8.15 4.24 0.00 2.81 2.57 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 81 Q 8.05 3.97 0.00 2.33 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 82 V 7.34 3.60 2.25 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 0.91 0.00 0.00 0.99 0.00 0.00 83 I 7.68 4.05 2.02 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 1.75 0.80 1.00 0.00 0.00 84 L 8.36 4.07 0.00 1.83 1.74 0.91 1.02 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 85 S 7.46 4.65 0.00 3.90 3.92 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 86 N 8.02 4.81 0.00 2.29 1.99 0.00 0.00 6.65 6.74 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 87 Y 7.65 5.03 0.00 2.80 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.61 4.56 0.00 2.82 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 89 V 8.30 3.96 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 0.79 0.00 0.00 0.93 0.00 0.00 90 S 8.19 4.18 0.00 4.00 4.04 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 0.00 0.00 0.00 91 S 7.81 4.16 0.00 3.82 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.44 3.96 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 0.74 0.00 0.00 0.89 0.00 0.00 93 I 8.47 4.04 2.04 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 1.30 0.86 0.94 0.00 0.00 94 A 8.07 4.62 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 95 F 8.78 4.92 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 96 F 9.68 4.08 0.00 3.15 3.25 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 0.00 97 G 7.52 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 98 I 8.20 5.01 1.85 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 1.39 0.49 0.98 0.00 0.00 99 K 9.45 4.18 0.00 1.91 1.85 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.57 7.81 100 D 7.91 4.91 0.00 2.69 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.20 4.71 1.83 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 0.24 0.00 0.00 0.87 0.00 0.00 102 R 8.93 4.34 0.00 1.61 1.71 0.00 3.13 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.70 0.00 103 F 8.60 4.74 0.00 2.95 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 0.00 104 L 8.69 4.28 0.00 1.81 1.75 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 105 R 7.95 4.92 0.00 1.80 1.78 0.00 3.38 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 106 P 0.00 4.35 0.00 1.36 1.79 0.00 3.88 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.23 0.00 107 V 7.78 4.29 1.93 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 0.95 0.00 0.00 0.86 0.00 0.00 108 F 9.51 4.94 0.00 3.40 2.95 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 0.00 109 I 8.68 3.69 1.97 0.00 0.00 1.00 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 0.59 0.96 0.00 0.00 110 G 7.98 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 0.00 111 D 8.30 4.86 0.00 2.77 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 0.00 112 T 8.50 4.95 4.26 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 1.24 0.00 0.00 113 I 8.29 4.64 1.86 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 1.30 0.74 0.90 0.00 0.00 114 A 9.13 4.95 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.66 5.43 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 0.00 116 S 9.33 5.15 0.00 3.83 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 0.00 117 A 9.03 5.41 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 0.00 118 E 9.14 5.06 0.00 2.02 1.76 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 2.16 2.32 0.00 119 V 8.65 3.74 1.92 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 0.57 0.00 0.00 0.71 0.00 0.00 120 V 8.32 4.38 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 0.70 0.00 0.00 0.89 0.00 0.00 121 E 7.53 4.72 0.00 1.95 1.65 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 0.00 2.25 2.30 0.00 122 K 8.42 5.17 0.00 1.56 1.66 0.00 1.55 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.29 7.81 123 Q 9.13 4.67 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.96 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 124 D 8.96 4.46 0.00 2.72 2.56 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 0.00 125 F 8.63 4.64 0.00 2.69 3.01 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 0.00 0.00 0.00 126 D 7.96 4.52 0.00 2.77 2.56 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 0.00 127 E 8.73 4.20 0.00 2.09 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 2.28 2.27 0.00 128 K 8.26 4.51 0.00 2.03 1.88 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.35 7.81 129 S 7.62 4.91 0.00 3.95 3.92 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 0.00 130 G 8.25 3.51 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 0.00 131 V 8.24 4.59 1.64 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 -0.43 0.00 0.00 0.78 0.00 0.00 132 V 8.76 4.80 2.13 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 0.42 0.00 0.00 1.10 0.00 0.00 133 T 8.57 4.94 4.13 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 1.21 0.00 0.00 134 Y 9.15 4.85 0.00 1.43 2.45 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 0.00 135 K 9.07 4.88 0.00 1.75 1.67 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.37 7.81 136 L 9.61 5.22 0.00 2.07 1.78 1.09 0.70 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 0.00 137 E 9.48 5.09 0.00 1.89 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 2.23 2.24 0.00 138 V 8.80 4.95 2.09 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 1.07 0.00 0.00 0.93 0.00 0.00 139 K 9.28 5.24 0.00 1.67 1.69 0.00 1.72 0.00 0.00 1.90 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.36 7.81 140 N 8.92 5.18 0.00 2.88 3.01 0.00 0.00 6.62 6.74 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 0.00 141 Q 8.90 4.09 0.00 2.24 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.07 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 142 R 8.31 4.43 0.00 2.03 2.18 0.00 2.93 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 143 G 8.16 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 0.00 0.00 0.00 144 E 7.72 3.97 0.00 2.19 1.92 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 2.36 2.45 0.00 145 L 8.36 4.73 0.00 1.60 1.61 0.99 0.96 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 0.00 146 V 8.73 4.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.97 0.00 0.00 147 L 7.61 5.12 0.00 1.72 1.45 1.04 0.59 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 0.00 148 T 8.67 5.21 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 1.17 0.00 0.00 149 A 8.87 5.02 1.26 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 0.00 0.00 150 L 9.31 5.48 0.00 1.72 1.54 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.93 5.69 0.00 3.56 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 0.00 152 S 10.02 5.39 0.00 3.94 4.02 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 0.00 153 A 9.30 5.41 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 0.00 154 L 9.28 4.71 0.00 1.71 1.58 0.45 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.38 4.98 1.90 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.93 0.98 0.00 0.00 156 R 9.32 4.58 0.00 2.04 1.96 0.00 3.20 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.93 0.00 157 K 8.68 5.11 0.00 1.73 1.80 0.00 1.88 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.44 7.81 158 T 8.21 2.91 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 0.69 0.00 0.00 159 P 0.00 4.37 0.00 2.14 2.01 0.00 3.11 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.90 0.00 * Residues marked with a * may have inaccurate shift predictions.