NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.5892 8.2549 119.6561 55.6292 31.4712 174.9014 3 L 4.0009 8.3880 123.0615 53.1595 42.5714 175.6246 4 C 4.5281 8.5721 119.0155 57.6100 31.7337 173.9698 5 D 4.3707 8.8836 119.8582 56.9273 38.6609 178.8394 6 R 4.2630 7.9255 121.3053 58.5762 30.0741 178.0580 7 D 4.5454 8.1054 117.9190 57.2452 40.7369 178.5839 8 I 3.7264 8.0174 120.8782 64.3863 37.0989 178.2679 9 E 4.0402 8.5574 119.4728 58.9391 29.2028 179.3660 10 A 4.1184 8.0592 121.0985 55.1407 18.5854 179.7574 11 W 4.0112 8.8483 117.9448 59.8573 28.9050 178.8577 12 L 4.3668 7.8151 120.3495 57.3448 40.8015 179.2824 13 D 4.3897 7.8467 117.6838 57.1792 40.9015 177.8435 14 E 4.2923 8.1882 116.0346 55.8176 29.6485 177.1098 15 G 3.9082 7.4737 106.9451 46.4577 0.0000 175.2643 16 R 3.9858 8.3543 122.8393 57.9881 29.9242 175.8625 17 L 4.9721 7.5778 116.2187 54.4658 44.5865 174.9562 18 S 4.8378 8.8685 114.5067 56.7934 67.1090 173.4681 19 I 5.0378 8.3098 123.0423 59.5897 40.7077 173.7491 20 N 5.2850 9.1816 126.0511 50.8582 41.6681 171.9749 21 P 4.7013 0.0000 0.0000 62.4266 32.6250 176.1015 22 R 4.4126 8.3246 121.5376 54.9577 30.5176 174.7573 23 P 4.4326 0.0000 0.0000 61.6265 32.2030 174.3958 24 P 4.6010 0.0000 0.0000 61.8514 32.6332 177.3262 25 V 3.6576 8.3086 117.1756 65.9928 31.3984 177.6063 26 E 4.1067 8.2157 117.8316 58.4272 29.5726 177.4648 27 R 4.4462 8.1033 116.6155 55.6539 30.8099 175.3156 28 I 4.8745 7.3710 119.5795 59.7576 38.9269 174.5198 29 N 4.9535 8.7033 120.8876 53.2570 41.7765 177.5356 30 G 4.0050 9.5721 110.8194 46.5144 0.0000 174.7214 31 A 4.9567 9.2755 115.8614 50.5093 21.4988 177.9670 32 T 4.9728 8.4581 107.7358 61.6494 73.1670 172.6505 33 V 4.9028 8.6483 122.8507 61.0477 33.9428 174.6931 34 D 4.9870 8.9617 128.4861 54.6447 41.5554 176.1272 35 V 4.6102 8.7573 115.0647 59.7230 35.8128 174.7119 36 R 5.0097 8.9871 120.5270 54.1084 33.8780 175.2227 37 L 4.4296 8.4098 123.2121 55.1035 43.4972 177.3987 38 G 4.2476 8.9356 114.1408 45.3262 0.0000 173.0885 39 N 5.3684 8.5276 116.9747 52.4539 38.6923 173.8212 40 K 5.0240 7.6735 117.5787 55.5994 35.9977 175.2190 41 F 5.0064 9.0764 121.1376 56.2626 44.1378 173.6941 42 R 5.0696 9.1105 118.7885 55.0283 34.6520 174.5523 43 T 5.0121 8.5842 112.4868 59.9981 72.0993 172.8366 44 F 5.1023 8.9365 119.0918 55.9646 41.0488 176.4225 45 R 4.6109 8.8103 124.2173 54.1281 29.8493 176.8107 46 G 3.7632 8.3262 111.8460 48.0460 0.0000 172.7546 47 H 4.4616 8.1521 114.1992 57.4293 28.6964 175.8943 48 T 4.2943 7.2745 108.4399 62.0039 69.3298 174.2228 49 A 4.6414 7.5757 123.3381 51.0349 22.4332 176.0513 50 A 4.3304 8.6510 122.9481 54.5948 19.2011 177.4881 51 F 4.7374 7.3982 107.4381 56.6744 40.0520 172.8013 52 I 4.0377 8.3183 121.3798 59.3637 39.1301 175.5872 53 D 4.7424 8.0851 125.4576 52.7579 40.0765 176.1698 54 L 4.0938 8.6139 127.4914 57.1231 42.1213 178.1682 55 S 4.7068 7.8194 111.6676 57.5597 63.0665 172.9652 56 G 4.0702 7.7464 109.9393 44.1896 0.0000 172.0193 57 P 4.2517 0.0000 0.0000 62.6472 32.7756 177.1063 58 K 3.8443 8.7946 122.9260 60.0007 32.0530 178.3942 59 D 4.3172 8.0704 118.2725 57.5572 40.8720 178.1870 60 E 3.9194 8.2146 118.2537 59.7841 29.4183 179.8190 61 V 3.5488 7.6372 117.4123 66.0690 31.6141 178.3723 62 S 4.0964 8.0339 114.5046 61.4235 62.7072 176.5318 63 A 3.9696 8.1878 123.3618 54.9999 18.1112 179.5637 64 A 3.8967 8.0404 119.2795 55.2862 18.2423 179.8229 65 L 3.9779 7.8784 116.4616 58.1657 41.7732 179.2594 66 D 4.5016 7.9442 117.7606 57.2101 40.7793 178.7072 67 R 4.0917 7.7003 117.6856 58.8476 31.7770 179.0046 68 V 4.1415 7.5824 113.9346 59.2272 28.1201 174.8218 *70 S 4.4208 7.1450 114.0191 57.8107 64.5461 173.8540 71 D 4.6362 8.2440 120.6242 53.3416 41.4342 175.8730 72 E 4.2999 8.5240 121.8085 56.6824 30.4737 175.7142 73 I 4.5137 8.9496 128.0603 59.8222 39.3752 174.6138 74 V 5.0329 8.3215 126.6634 60.1835 33.3371 174.8252 75 L 4.4629 8.7407 128.1655 54.1366 42.5398 176.7756 76 D 4.5894 8.6218 122.8318 53.4673 41.6410 175.3827 77 E 3.9497 8.4937 121.2882 58.0529 29.7955 176.0490 78 G 4.1889 9.0069 114.5646 45.6539 0.0000 173.7563 79 E 4.1748 7.5231 117.4720 55.9914 30.1748 175.7290 80 A 4.8000 8.1167 122.4326 50.0759 22.3189 175.2505 81 F 4.1639 8.4875 122.4649 56.5901 41.3440 174.3550 82 Y 4.6332 7.7138 124.3033 56.6018 38.6127 175.2093 83 L 4.4621 8.5856 128.8238 54.3867 42.9269 175.5611 84 H 4.9547 8.6363 123.7854 53.7199 30.9751 173.3445 85 P 4.0654 0.0000 0.0000 64.6532 31.5068 176.9031 86 G 4.2658 8.4901 110.1432 45.1020 0.0000 172.5465 87 E 4.7795 7.5387 119.8137 54.1931 31.9636 174.8571 88 L 5.2192 8.8024 126.4852 54.3041 43.5497 175.3373 89 A 5.2458 9.2329 126.0192 50.7478 23.3096 174.7695 90 L 5.0748 8.9998 119.7662 53.6919 44.4749 176.2008 91 A 4.8659 8.6341 122.4756 50.7441 22.7946 174.9969 92 V 4.8123 7.5317 113.2373 60.5382 34.8990 174.4919 93 T 4.4701 8.4078 112.8991 61.4915 69.2115 174.5790 94 L 4.1218 8.4894 126.1908 58.3791 42.3914 177.5650 95 E 4.4545 8.1183 118.4886 56.1816 30.8891 176.1325 96 S 4.7372 9.0554 119.5676 57.7853 64.1243 172.8280 97 V 4.9634 8.7757 126.0906 61.4546 34.7862 174.2308 98 T 5.0612 8.9354 123.2418 61.9181 71.9784 172.7654 99 L 5.1401 8.8222 126.7973 52.2949 44.6844 175.3367 100 P 4.9572 0.0000 0.0000 61.7272 33.0088 176.6847 101 A 4.2222 8.5795 119.9439 54.3926 18.5255 178.3788 102 D 5.1676 8.1270 114.9450 52.7367 40.1952 175.1012 103 L 5.3034 7.8259 119.9140 54.1286 45.8810 175.1040 104 V 4.6427 8.8218 124.8795 59.8199 34.5519 174.7594 105 G 4.2062 8.4089 109.5801 44.2589 0.0000 172.0893 106 W 5.4364 8.3250 119.7918 54.6277 33.3706 174.0729 107 L 4.7782 8.9534 128.1261 54.3349 42.3055 175.6160 108 D 4.9479 9.3623 126.5751 52.4009 43.5221 176.4954 109 G 4.2776 8.4802 115.0812 45.8777 0.0000 174.2237 110 R 4.6940 8.2314 120.5048 53.4852 35.3788 175.7793 111 S 4.1798 8.6776 116.2336 61.6939 62.2490 176.8304 112 S 4.1866 8.0212 116.6651 61.1209 62.8854 175.8281 113 L 4.2489 7.7254 120.8707 57.0264 41.8595 178.6524 114 A 4.0593 8.4158 121.2277 55.1524 18.0992 179.1443 115 R 4.2597 7.6836 113.4265 57.1547 30.3556 177.0909 116 L 4.5410 7.5707 117.2828 54.1793 42.6986 177.2141 117 G 3.8753 8.3696 107.6779 44.9574 0.0000 173.8135 118 L 4.5332 7.4746 121.6608 54.1786 43.1065 176.8915 *120 V 4.3607 8.0376 111.9963 61.0133 33.1825 175.1694 121 H 4.8973 7.6608 113.4940 54.4711 30.0690 173.6899 122 V 4.0339 8.0410 120.7865 62.4126 31.5115 175.5264 123 T 3.6109 8.2372 119.6302 61.1776 67.7006 175.5953 124 A 4.4211 7.4627 126.0176 52.7791 20.6443 175.3729 125 H 4.8235 8.6337 115.0464 55.7171 30.7379 172.4817 126 R 3.8327 7.8788 119.2356 55.4385 31.1415 175.4185 127 I 3.7390 7.5494 127.7612 59.3559 38.9840 175.2148 128 D 4.7736 8.0204 127.3748 52.7153 42.5282 174.4493 129 P 4.9511 0.0000 0.0000 63.9513 31.0202 177.6086 130 G 4.0180 8.8212 109.9817 44.9014 0.0000 173.2542 131 W 4.3691 8.0160 130.2857 57.9003 31.1759 175.1922 132 S 4.4680 6.4278 118.8079 57.9379 63.7629 173.6198 133 G 4.1531 7.8971 117.6452 44.2225 0.0000 170.6491 134 C 4.9226 7.4006 118.0203 59.3710 28.9730 173.7118 135 I 4.2983 8.4041 123.2963 59.9677 38.5680 175.2014 136 V 4.0507 8.1993 127.4416 62.5678 32.2964 174.8733 137 L 4.4016 8.5613 128.0093 52.9945 43.8862 175.4567 138 A 4.8345 8.2941 125.2565 50.4429 20.2335 175.6929 139 F 5.0685 9.0691 121.4282 57.7358 41.2651 174.9378 140 Y 5.2478 8.6109 122.9946 56.0310 42.5435 173.0977 141 N 4.8188 7.8206 125.9117 52.5203 39.8881 174.8362 142 S 4.6514 9.1101 121.6657 58.4867 64.5044 174.8224 143 G 4.2574 8.0536 110.9882 45.0201 0.0000 173.3504 144 K 4.4664 8.5534 116.8121 56.0370 33.7224 176.1140 145 L 4.8345 7.4593 117.9229 51.6888 44.7996 174.4474 146 P 4.5919 0.0000 0.0000 63.0152 32.4652 175.6653 147 L 4.7794 8.6981 121.6069 52.8144 45.1411 175.5845 148 A 4.4265 8.7332 126.3169 51.4545 19.4031 176.2003 149 L 4.6288 8.9356 123.5731 53.0676 44.0313 175.8888 150 R 4.9031 8.4161 122.2419 53.3392 33.0648 173.7751 151 P 4.1653 0.0000 0.0000 64.1723 31.8067 177.0146 152 G 3.8426 8.3528 112.0586 46.1006 0.0000 173.0022 *154 L 4.2377 7.2633 116.3577 54.9697 43.1656 176.9468 155 I 4.4350 8.2083 122.9017 61.4601 40.4989 174.9001 156 G 4.2368 7.6055 105.9212 46.4014 0.0000 171.8823 157 A 5.2736 8.5611 120.2150 50.5968 23.2115 175.7972 158 L 5.1234 9.1843 120.3724 52.8180 44.8303 175.9597 159 S 4.9896 8.3660 116.5111 56.4559 66.9232 172.7794 160 F 5.2399 8.4474 118.1008 55.7389 43.2964 173.5302 161 E 4.8743 9.2799 123.4003 53.6071 32.3035 173.1106 162 P 4.9026 0.0000 0.0000 63.1362 32.0939 176.3728 163 L 4.6456 8.6731 123.8759 53.5246 42.6960 177.4139 164 S 4.2466 8.8124 115.0214 61.3013 63.2022 173.8351 165 G 4.1265 7.4382 107.2541 43.8472 0.0000 170.0467 166 P 4.3833 0.0000 0.0000 61.9956 31.9246 176.1112 167 A 4.1279 8.5199 126.1327 52.2324 18.7898 178.0431 168 V 3.7953 8.4582 122.4740 64.9701 32.3274 176.4794 169 R 4.6198 7.5598 117.5085 53.6393 29.9542 172.5323 170 P 4.6509 0.0000 0.0000 61.9634 33.2672 177.8432 171 Y 4.0650 9.1275 120.1992 60.6014 38.7024 177.5682 172 N 4.5720 7.7877 116.3848 54.6220 37.4860 175.5635 173 R 4.4161 7.4567 115.9184 55.7929 32.0729 175.8904 174 R 4.0379 7.4281 118.8975 55.4297 30.4947 176.5906 175 E 3.8518 8.9409 126.9573 58.8286 29.7831 176.8976 176 D 4.7142 7.7874 114.9273 52.6632 39.7719 175.9916 177 A 3.9569 7.2973 122.9879 52.7055 18.6659 178.5871 178 K 4.0601 8.5428 120.7727 57.6270 32.8598 177.1812 179 Y 5.0480 7.8737 115.2013 57.6467 38.5453 176.1845 180 R 3.8946 8.0360 118.2051 57.3631 30.7455 177.7177 181 N 4.3212 8.5597 115.7244 53.4298 36.5926 174.5543 182 Q 4.1118 7.5993 120.1756 56.2889 29.3063 175.9830 183 Q 4.4186 8.8362 124.8235 55.3943 31.5627 174.5571 184 G 4.3181 7.7100 105.8856 44.4480 0.0000 173.0155 185 A 4.1914 8.1134 118.7027 51.0779 16.6605 177.1318 186 V 3.6924 7.4643 120.3826 61.7679 32.7108 175.9549 187 A 4.3213 8.3345 129.7275 51.0734 19.2909 176.8279 188 S 4.4016 8.5775 114.0776 59.1994 62.9155 174.6029 189 R 4.9768 8.8153 125.7399 54.7448 30.6712 178.1925 190 I 3.7174 7.8220 121.0367 63.9498 38.1716 177.2096 191 D 4.4616 8.2217 119.2903 55.6995 39.0681 177.8911 192 K 4.1844 7.9481 117.8274 57.1564 32.6282 176.5386 193 D 4.5570 7.7154 123.7671 54.7932 40.7299 176.2781 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 R 8.25 4.59 0.00 1.70 1.93 0.00 3.35 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 3 L 8.39 4.00 0.00 1.51 1.44 -0.29 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 4 C 8.57 4.53 0.00 3.01 3.08 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 5 D 8.88 4.37 0.00 3.01 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 6 R 7.93 4.26 0.00 1.92 2.00 0.00 3.25 0.00 0.00 3.33 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 7 D 8.11 4.55 0.00 2.88 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 8 I 8.02 3.73 2.04 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 1.56 1.49 0.93 0.00 0.00 9 E 8.56 4.04 0.00 2.22 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 2.35 2.53 0.00 10 A 8.06 4.12 1.46 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 0.00 0.00 0.00 11 W 8.85 4.01 0.00 3.17 3.19 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 12 L 7.82 4.37 0.00 1.82 1.73 0.95 1.24 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 13 D 7.85 4.39 0.00 2.89 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 14 E 8.19 4.29 0.00 1.90 1.85 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 2.25 2.27 0.00 15 G 7.47 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 0.00 0.00 0.00 16 R 8.35 3.99 0.00 1.39 1.87 0.00 2.40 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.24 0.00 17 L 7.58 4.97 0.00 1.85 1.82 0.12 0.48 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 18 S 8.87 4.84 0.00 3.78 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 19 I 8.31 5.04 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.55 0.98 0.00 0.00 20 N 9.18 5.28 0.00 2.79 2.63 0.00 0.00 6.52 8.09 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 21 P 0.00 4.70 0.00 2.13 2.05 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 22 R 8.32 4.41 0.00 1.88 1.90 0.00 3.07 0.00 0.00 2.47 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 23 P 0.00 4.43 0.00 2.11 1.99 0.00 3.76 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 24 P 0.00 4.60 0.00 2.42 2.21 0.00 3.72 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 2.08 1.96 0.00 25 V 8.31 3.66 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 1.00 0.00 0.00 1.00 0.00 0.00 26 E 8.22 4.11 0.00 1.99 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 2.40 0.00 27 R 8.10 4.45 0.00 1.98 1.94 0.00 3.24 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 28 I 7.37 4.87 1.90 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 1.40 0.65 0.95 0.00 0.00 29 N 8.70 4.95 0.00 2.92 2.87 0.00 0.00 6.71 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 9.57 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 31 A 9.28 4.96 1.20 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 0.00 0.00 0.00 32 T 8.46 4.97 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 1.18 0.00 0.00 33 V 8.65 4.90 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 0.86 0.00 0.00 1.14 0.00 0.00 34 D 8.96 4.99 0.00 2.63 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 35 V 8.76 4.61 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 0.80 0.00 0.00 0.94 0.00 0.00 36 R 8.99 5.01 0.00 1.85 1.81 0.00 3.14 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 37 L 8.41 4.43 0.00 1.88 1.60 1.08 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.94 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 0.00 0.00 0.00 0.00 39 N 8.53 5.37 0.00 2.91 3.03 0.00 0.00 5.74 6.79 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 40 K 7.67 5.02 0.00 1.54 1.75 0.00 1.58 0.00 0.00 2.01 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.40 7.81 41 F 9.08 5.01 0.00 2.96 2.57 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 50 A 8.65 4.33 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.40 4.74 0.00 3.12 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 52 I 8.32 4.04 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.65 0.89 0.00 0.00 53 D 8.09 4.74 0.00 2.56 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.61 4.09 0.00 1.71 1.77 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.82 4.71 0.00 3.93 3.88 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 56 G 7.75 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 57 P 0.00 4.25 0.00 2.16 2.01 0.00 3.72 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 2.28 2.17 0.00 58 K 8.79 3.84 0.00 1.81 1.82 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.66 7.81 59 D 8.07 4.32 0.00 2.72 2.69 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 0.00 0.00 0.00 0.00 60 E 8.21 3.92 0.00 2.11 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 2.38 2.38 0.00 61 V 7.64 3.55 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 1.09 0.00 0.00 1.05 0.00 0.00 62 S 8.03 4.10 0.00 4.13 3.88 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 63 A 8.19 3.97 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 64 A 8.04 3.90 1.30 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 0.00 0.00 65 L 7.88 3.98 0.00 1.77 1.77 1.01 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.94 4.50 0.00 2.66 2.73 0.00 0.00 0.00 0.00 0.00 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0.00 3.11 3.16 0.00 5.70 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 85 P 0.00 4.07 0.00 2.01 2.14 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 86 G 8.49 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 0.00 0.00 0.00 0.00 87 E 7.54 4.78 0.00 2.02 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 0.00 2.51 2.43 0.00 88 L 8.80 5.22 0.00 1.80 1.53 1.15 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 89 A 9.23 5.25 1.50 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 90 L 9.00 5.07 0.00 1.51 1.48 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.63 4.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.53 4.81 1.91 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 0.00 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 L 7.47 4.53 0.00 1.55 1.71 0.76 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 *120 V 8.04 4.36 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 1.04 0.00 0.00 1.01 0.00 0.00 121 H 7.66 4.90 0.00 3.29 3.19 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.04 4.03 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 1.00 0.00 0.00 0.94 0.00 0.00 123 T 8.24 3.61 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 1.20 0.00 0.00 124 A 7.46 4.42 1.25 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 0.00 0.00 125 H 8.63 4.82 0.00 3.18 2.76 0.00 5.47 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 0.00 126 R 7.88 3.83 0.00 1.60 1.53 0.00 2.97 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.50 0.00 127 I 7.55 3.74 1.53 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.59 0.42 0.00 0.00 128 D 8.02 4.77 0.00 2.44 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 0.00 129 P 0.00 4.95 0.00 2.35 2.36 0.00 3.86 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 1.96 0.00 130 G 8.82 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 0.00 0.00 0.00 131 W 8.02 4.37 0.00 3.33 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 0.00 132 S 6.43 4.47 0.00 3.65 3.42 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 0.00 133 G 7.90 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 0.00 0.00 0.00 0.00 134 C 7.40 4.92 0.00 2.84 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 0.00 135 I 8.40 4.30 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.74 0.67 0.00 0.00 136 V 8.20 4.05 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 0.69 0.00 0.00 0.88 0.00 0.00 137 L 8.56 4.40 0.00 0.82 0.75 0.66 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.29 4.83 1.20 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 0.00 0.00 0.00 139 F 9.07 5.07 0.00 3.24 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 0.00 140 Y 8.61 5.25 0.00 3.08 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 0.00 141 N 7.82 4.82 0.00 2.55 2.63 0.00 0.00 6.54 7.51 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 0.00 142 S 9.11 4.65 0.00 4.07 4.37 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 0.00 143 G 8.05 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 0.00 0.00 0.00 0.00 144 K 8.55 4.47 0.00 1.72 1.83 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.36 7.81 145 L 7.46 4.83 0.00 1.55 1.51 0.91 1.03 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 0.00 146 P 0.00 4.59 0.00 1.92 1.84 0.00 3.61 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 2.05 2.21 0.00 147 L 8.70 4.78 0.00 1.46 1.45 0.90 0.63 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 0.00 148 A 8.73 4.43 1.06 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 0.00 0.00 149 L 8.94 4.63 0.00 1.55 1.60 0.44 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.42 4.90 0.00 1.64 1.80 0.00 3.20 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 151 P 0.00 4.17 0.00 1.99 2.08 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.33 0.00 152 G 8.35 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 *154 L 7.26 4.24 0.00 1.69 1.70 0.93 0.85 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 0.00 155 I 8.21 4.44 1.97 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.02 1.05 0.00 0.00 156 G 7.61 4.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 A 8.56 5.27 1.24 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 0.00 0.00 0.00 0.00 0.00 0.00 158 L 9.18 5.12 0.00 1.34 0.83 0.99 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 159 S 8.37 4.99 0.00 3.81 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 0.00 160 F 8.45 5.24 0.00 2.79 2.69 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 0.00 0.00 0.00 0.00 161 E 9.28 4.87 0.00 2.19 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 2.28 2.31 0.00 162 P 0.00 4.90 0.00 2.04 2.12 0.00 3.71 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 163 L 8.67 4.65 0.00 1.72 1.66 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.81 4.25 0.00 4.01 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 0.00 165 G 7.44 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 0.00 0.00 0.00 0.00 166 P 0.00 4.38 0.00 2.22 2.10 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 167 A 8.52 4.13 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 0.00 168 V 8.46 3.80 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 0.84 0.00 0.00 0.95 0.00 0.00 169 R 7.56 4.62 0.00 1.81 1.84 0.00 3.27 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 170 P 0.00 4.65 0.00 2.43 2.26 0.00 3.72 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.98 0.00 171 Y 9.13 4.06 0.00 3.26 3.17 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 0.00 172 N 7.79 4.57 0.00 3.05 3.14 0.00 0.00 6.85 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 R 7.46 4.42 0.00 1.73 1.96 0.00 3.15 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 174 R 7.43 4.04 0.00 2.00 1.61 0.00 3.11 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.53 0.00 175 E 8.94 3.85 0.00 1.92 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 2.25 2.26 0.00 176 D 7.79 4.71 0.00 2.77 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 0.00 177 A 7.30 3.96 0.41 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 0.00 178 K 8.54 4.06 0.00 1.18 0.74 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.10 1.25 7.81 179 Y 7.87 5.05 0.00 3.51 3.46 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 0.00 180 R 8.04 3.89 0.00 1.82 1.76 0.00 3.12 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 181 N 8.56 4.32 0.00 2.85 2.96 0.00 0.00 6.90 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 0.00 182 Q 7.60 4.11 0.00 2.34 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.57 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 183 Q 8.84 4.42 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.46 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 184 G 7.71 4.32 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 0.00 185 A 8.11 4.19 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 0.00 186 V 7.46 3.69 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 1.02 0.00 0.00 1.03 0.00 0.00 187 A 8.33 4.32 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 0.00 188 S 8.58 4.40 0.00 3.95 3.90 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 0.00 0.00 0.00 189 R 8.82 4.98 0.00 1.68 1.76 0.00 2.99 0.00 0.00 3.05 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 190 I 7.82 3.72 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.25 0.95 0.00 0.00 191 D 8.22 4.46 0.00 2.85 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 0.00 192 K 7.95 4.18 0.00 1.76 1.84 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.42 7.81 193 D 7.72 4.56 0.00 2.63 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 * Residues marked with a * may have inaccurate shift predictions.