NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 R 4.3723 8.2549 121.1243 56.5210 30.4231 172.6880 12 T 4.5218 8.9242 119.8123 61.1505 70.9865 171.7471 13 Y 4.8472 9.6671 125.1903 57.0756 39.3172 175.1221 14 L 4.7293 9.0321 122.9589 55.2958 43.8705 176.1281 15 Y 4.7322 7.6592 117.6283 56.8902 42.2905 173.4227 16 R 5.1504 7.5718 124.6552 53.4634 31.6264 174.7794 17 G 4.0561 7.9310 115.4956 44.1272 0.0000 171.5940 18 R 4.0082 8.7916 117.9908 59.0534 29.3252 177.6674 19 I 4.3078 7.5300 108.5918 60.3434 38.5397 174.2755 20 L 4.9342 7.1872 119.9781 55.3349 43.5435 173.4248 21 N 5.4601 9.0701 117.0407 51.4503 42.9830 173.1870 22 L 5.0949 9.2296 124.6333 53.5625 44.3282 175.0638 23 A 5.0918 9.2432 127.5317 49.9685 23.3029 174.1391 24 L 5.0734 8.8782 117.6673 52.8062 45.7929 177.2522 25 E 4.4073 8.7744 122.1769 54.5839 28.9389 174.6280 26 G 3.8514 7.7257 111.3404 44.1476 0.0000 172.1799 27 R 4.3401 7.9595 121.5902 56.3284 32.7912 176.4296 28 Y 4.2438 7.9849 116.0819 57.4798 38.6510 173.7199 29 E 4.9087 8.7540 124.3250 55.4022 31.0535 175.6494 30 I 4.8430 8.9158 125.3428 59.4581 41.3564 174.6038 31 V 4.8688 9.1140 127.3169 61.2544 33.2757 174.4750 32 E 4.7767 9.0896 129.0114 56.5485 30.6564 175.6611 33 H 5.3646 9.6703 123.1759 54.2450 33.3153 173.2293 34 K 4.3704 7.8681 121.4110 55.7791 32.8373 175.2485 35 P 4.7037 0.0000 0.0000 63.0017 33.1523 174.4768 36 A 5.2124 9.2300 121.8128 50.4642 23.4405 174.9998 37 V 5.1917 8.7837 110.6095 60.0628 36.3851 175.1347 38 A 5.1318 9.0192 122.7171 50.6151 23.0265 175.3483 39 V 4.7411 8.7162 121.1517 61.1745 34.0752 174.8973 40 I 4.3249 8.9778 129.4234 60.1586 38.7900 174.7953 41 A 5.1154 8.3478 127.8983 50.0827 22.3752 174.3233 42 L 5.2158 8.7694 123.8289 53.1766 44.9338 175.7851 43 R 4.4443 9.2002 125.5346 56.1323 32.9641 174.6668 44 E 3.7664 9.9009 125.9494 57.5366 26.8224 175.9150 45 G 4.0189 8.2811 105.2413 45.5140 0.0000 173.3254 46 R 4.7497 7.8822 119.4790 54.7364 32.7405 175.0654 47 M 4.7682 9.0705 123.2289 54.2159 34.4923 175.1535 48 L 3.6237 8.1151 127.7844 54.0900 41.5585 175.8890 49 F 4.9771 8.5219 124.8566 56.0508 41.9566 175.2339 50 V 5.0790 8.7628 112.6251 60.1060 36.2563 174.9025 51 R 5.2083 8.9407 121.1847 54.9626 34.5256 174.1965 52 Q 4.8393 8.3320 117.7975 55.1644 31.4429 173.6491 53 M 4.0969 8.6787 120.7705 55.7922 32.9047 176.3484 54 R 4.5352 8.0920 124.2336 53.1173 29.9111 174.1553 55 P 4.1791 0.0000 0.0000 65.5501 31.3356 179.1121 56 A 4.2004 8.1079 120.5725 54.2039 18.4183 178.1183 57 V 4.1769 7.2122 103.8265 60.5614 33.3620 177.0056 58 G 3.9161 9.7506 107.7460 45.2876 0.0000 172.5606 59 L 4.2742 7.3633 118.3320 54.7880 42.9467 173.9377 60 A 4.8082 8.1946 122.2505 49.6834 18.7220 174.5454 61 P 4.6444 0.0000 0.0000 63.0046 33.3617 175.7584 62 L 4.3074 9.0664 123.4800 54.9626 43.0947 175.4478 63 E 5.5943 9.1751 126.1320 54.6153 33.9012 174.3673 64 I 4.9230 7.7603 111.7739 58.3461 41.0194 173.7343 65 P 4.5020 0.0000 0.0000 63.7986 31.9728 175.2887 66 A 4.8610 8.2398 124.4854 51.1041 23.0273 174.8387 67 G 4.5050 7.9571 105.6487 46.2181 0.0000 172.5148 68 L 4.8855 8.4815 119.7149 54.1011 42.7946 177.2204 69 I 4.0418 8.2008 123.7139 61.2449 37.8340 176.0592 70 E 4.5051 9.3642 126.9690 54.5012 31.2636 174.5106 71 P 4.4431 0.0000 0.0000 64.4667 31.6352 177.0214 72 G 3.9440 8.9587 109.6816 45.2915 0.0000 172.9943 73 E 4.6669 7.7280 119.0178 55.0515 31.2731 175.6898 74 D 4.8874 8.5393 121.8569 50.8760 43.0820 175.7749 75 P 4.2084 0.0000 0.0000 65.8999 31.2757 178.4904 76 L 3.1044 7.9590 118.1756 58.1018 41.9667 178.7715 77 E 3.8579 8.8093 118.5952 59.2519 29.2807 179.1967 78 A 4.1307 7.9987 120.6586 54.9352 18.4213 179.5436 79 A 3.7427 7.8693 119.5043 55.1290 18.3720 179.7039 80 R 3.7081 7.6383 117.1852 59.5461 30.1524 178.6464 81 R 3.8080 7.9624 118.3019 59.6041 30.1100 178.3463 82 E 4.0201 8.3965 118.6756 59.1850 29.3909 179.1053 83 L 3.8777 8.0023 120.2215 58.0440 42.0724 179.0083 84 A 4.2358 7.8294 122.0078 54.7596 18.1484 179.5498 85 E 3.8954 8.4960 116.3661 59.3502 29.6156 178.8617 86 E 4.3116 8.3540 117.7785 57.7003 29.9647 177.2038 87 T 4.4294 7.5958 105.6346 59.9645 70.2863 174.5484 88 G 3.9586 8.4373 110.3145 46.4305 0.0000 172.7924 89 L 5.4703 7.4061 117.6207 52.5888 45.5604 175.5734 90 S 4.6369 8.8061 114.5856 57.2608 67.0412 173.0280 91 G 4.3548 8.0800 106.0711 46.1438 0.0000 171.9516 92 D 4.8342 8.9388 120.7585 53.4300 41.7469 176.1991 93 L 5.1694 8.4746 123.9197 53.7627 43.7022 176.3950 94 T 4.7461 8.8777 119.0453 61.6641 72.3583 172.7949 95 Y 3.5334 8.9032 128.0187 57.9652 39.0252 174.1843 96 L 3.9075 6.9183 126.3363 54.4161 43.0303 176.5908 97 F 4.3839 5.4600 110.4574 56.4007 40.7919 171.5059 98 S 5.3849 8.7183 112.7862 57.3022 66.3908 172.6555 99 Y 4.7838 8.0365 116.6200 56.0097 40.5284 173.4436 100 F 4.7955 8.7661 120.2476 56.5239 39.8858 177.1968 101 V 4.0844 8.3084 118.2454 64.8659 31.9261 176.7963 102 S 4.7758 7.3768 106.8067 56.7811 62.8825 173.8573 103 P 4.4035 0.0000 0.0000 64.2234 31.4184 179.3386 104 G 3.7782 8.0510 107.4816 47.6697 0.0000 174.1057 105 F 5.0486 7.7406 110.1267 56.8319 41.7758 173.8886 106 T 5.1199 7.4409 114.2208 59.1837 70.1117 172.5483 107 D 4.8159 8.4001 124.0329 53.0334 40.7789 175.7798 108 E 4.0036 7.9664 122.0796 56.9975 30.7259 175.3961 109 K 4.5874 8.6871 127.6533 54.7086 35.4773 174.3014 110 T 4.8312 8.1901 123.9090 62.0238 71.2184 172.8032 111 H 5.0807 9.2974 124.3841 54.3123 30.8266 173.9688 112 V 4.8251 8.7338 124.5759 61.4337 33.3557 174.7101 113 F 5.0450 9.2388 125.7996 55.5009 43.1036 173.5658 114 L 5.0359 8.8802 122.8444 53.3268 44.3439 174.8386 115 A 5.2085 9.0077 127.7983 50.2821 21.2583 175.2439 116 E 4.6538 8.9251 121.0483 53.8463 34.1554 175.2363 117 N 4.1655 8.5796 115.5475 54.4658 35.9955 175.3400 118 L 4.4880 7.6654 116.6528 54.7614 43.0573 177.4093 119 K 4.7251 8.8895 121.4843 54.9955 36.3583 174.8566 120 E 4.6272 8.8940 124.0223 56.3606 29.7614 176.3238 121 V 4.0662 8.5677 119.9428 62.7744 33.3472 175.4218 122 E 4.4684 8.2803 122.3897 56.7734 36.0258 176.7109 *131 I 4.2089 7.7959 119.4269 59.6807 39.5514 175.3604 132 E 4.3745 8.7437 121.2124 55.2586 31.2483 175.0220 133 V 4.0459 8.3842 127.5512 62.3780 32.7314 175.7251 134 V 4.3953 8.9929 128.6404 60.6110 32.6299 172.9443 135 W 4.9777 8.6427 125.4804 56.3868 29.9683 175.1727 136 M 4.9838 9.4119 123.7030 54.0793 36.0219 174.2603 137 R 4.5570 8.7073 123.9379 55.1889 31.1133 175.9925 138 P 4.5140 0.0000 0.0000 65.8927 31.2204 178.7087 139 E 4.1779 8.1616 116.9490 59.5215 29.3550 179.0728 140 E 4.0459 8.1248 118.0100 59.1072 29.6692 178.9265 141 A 3.8641 8.1219 120.9890 55.0215 18.3952 179.4767 142 L 4.1916 8.3056 118.9356 58.2561 42.2020 178.7617 143 E 4.1985 8.1894 120.6132 58.9335 29.5312 178.9914 144 R 3.8672 8.3132 118.4800 59.4457 29.9978 178.5706 145 H 4.2900 8.0192 119.2818 58.9145 29.3912 177.4064 146 Q 3.9525 8.3151 119.7946 58.6654 28.3013 178.2140 147 R 4.3142 7.7023 116.7791 56.0161 30.3804 177.3372 148 G 3.8127 7.8852 107.3215 45.8636 0.0000 174.3983 149 E 4.1182 8.2894 122.7611 57.7971 30.0210 176.9489 150 V 4.5069 7.1852 116.3131 60.0097 35.2941 174.3272 151 E 4.7208 8.5497 120.6823 55.0217 32.4218 174.6922 152 F 5.6668 8.5919 119.4245 55.9995 42.1779 175.3199 153 S 4.8064 8.6674 115.8004 56.9068 65.3999 175.0474 154 A 3.9912 8.8201 122.1112 55.6827 18.0328 179.9983 155 T 4.0148 8.1261 107.8650 64.9136 68.8160 176.7988 156 G 3.7785 8.2538 108.5989 47.5244 0.0000 175.4980 157 L 3.1021 7.7497 123.0741 57.4391 41.9838 179.1324 158 V 3.6288 8.0123 118.6307 65.8217 31.4146 178.1884 159 G 3.6855 8.2166 105.4198 47.8669 0.0000 175.7464 160 V 3.8092 7.9065 121.1735 65.8055 31.5989 178.1587 161 L 4.0572 8.3486 119.1292 57.7749 41.3326 178.8099 162 Y 4.1589 8.5968 120.0433 60.7997 38.7226 177.4174 163 Y 4.0840 8.3997 120.3860 61.3433 38.7397 178.0238 164 H 3.7685 8.1290 115.0719 58.4500 28.7740 177.3712 165 A 3.7251 7.4707 121.8856 53.8499 18.4901 178.0590 166 F 4.7345 7.6560 111.7205 56.9129 40.8751 175.5907 167 L 4.5681 7.7105 119.5132 54.3645 42.0400 176.7227 168 R 3.9863 7.4676 123.5049 56.3044 30.1304 176.2272 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 11 R 8.25 4.37 0.00 1.83 2.00 0.00 3.03 0.00 0.00 3.34 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 12 T 8.92 4.52 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 1.27 0.00 0.00 13 Y 9.67 4.85 0.00 2.84 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 14 L 9.03 4.73 0.00 1.63 1.78 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.66 4.73 0.00 3.06 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 16 R 7.57 5.15 0.00 1.57 1.65 0.00 3.16 0.00 0.00 3.72 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.47 0.00 17 G 7.93 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 0.00 0.00 0.00 18 R 8.79 4.01 0.00 1.83 2.00 0.00 3.26 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 19 I 7.53 4.31 1.79 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 1.52 0.93 0.92 0.00 0.00 20 L 7.19 4.93 0.00 1.99 1.83 1.19 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 21 N 9.07 5.46 0.00 2.81 3.02 0.00 0.00 6.76 6.31 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 22 L 9.23 5.09 0.00 1.89 1.73 1.00 0.81 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 23 A 9.24 5.09 0.57 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 24 L 8.88 5.07 0.00 1.47 1.51 0.93 1.03 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 25 E 8.77 4.41 0.00 1.95 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 2.18 2.16 0.00 26 G 7.73 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.96 4.34 0.00 1.69 1.87 0.00 2.39 0.00 0.00 2.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.34 0.00 28 Y 7.98 4.24 0.00 3.09 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 29 E 8.75 4.91 0.00 1.90 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 0.00 2.27 2.33 0.00 30 I 8.92 4.84 1.85 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 1.16 0.74 0.90 0.00 0.00 31 V 9.11 4.87 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 1.14 0.00 0.00 1.26 0.00 0.00 32 E 9.09 4.78 0.00 2.07 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 2.38 2.32 0.00 33 H 9.67 5.36 0.00 3.08 3.07 0.00 5.76 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.87 4.37 0.00 1.65 1.74 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.36 7.81 35 P 0.00 4.70 0.00 2.15 2.20 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 36 A 9.23 5.21 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 37 V 8.78 5.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.95 0.00 0.00 38 A 9.02 5.13 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 39 V 8.72 4.74 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 0.80 0.00 0.00 0.94 0.00 0.00 40 I 8.98 4.32 1.82 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.37 0.99 0.00 0.00 41 A 8.35 5.12 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 42 L 8.77 5.22 0.00 1.70 1.65 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 43 R 9.20 4.44 0.00 1.84 1.19 0.00 3.23 0.00 0.00 2.73 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.49 0.00 44 E 9.90 3.77 0.00 1.96 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 2.15 2.16 0.00 45 G 8.28 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 46 R 7.88 4.75 0.00 1.98 2.16 0.00 2.99 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 47 M 9.07 4.77 0.00 1.57 1.66 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.29 0.00 48 L 8.12 3.62 0.00 0.38 1.07 -0.23 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.52 4.98 0.00 3.29 2.99 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 0.00 0.00 0.00 50 V 8.76 5.08 2.08 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 0.75 0.00 0.00 0.92 0.00 0.00 51 R 8.94 5.21 0.00 1.86 1.76 0.00 3.14 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.57 0.00 52 Q 8.33 4.84 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 53 M 8.68 4.10 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 54 R 8.09 4.54 0.00 2.11 1.85 0.00 3.40 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 55 P 0.00 4.18 0.00 2.23 2.35 0.00 3.72 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 2.10 2.01 0.00 56 A 8.11 4.20 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 57 V 7.21 4.18 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 0.76 0.00 0.00 1.06 0.00 0.00 58 G 9.75 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 0.00 0.00 0.00 59 L 7.36 4.27 0.00 1.83 1.75 0.95 0.48 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 60 A 8.19 4.81 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 61 P 0.00 4.64 0.00 2.15 2.10 0.00 3.79 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 2.20 2.01 0.00 62 L 9.07 4.31 0.00 1.62 1.60 0.75 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 63 E 9.18 5.59 0.00 2.01 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 2.31 2.48 0.00 64 I 7.76 4.92 1.97 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 1.29 0.70 0.84 0.00 0.00 65 P 0.00 4.50 0.00 2.03 2.00 0.00 3.75 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 1.97 2.01 0.00 66 A 8.24 4.86 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 67 G 7.96 4.51 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 68 L 8.48 4.89 0.00 1.54 1.61 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.20 4.04 1.87 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 1.22 0.61 0.89 0.00 0.00 70 E 9.36 4.51 0.00 1.97 1.84 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 2.29 2.38 0.00 71 P 0.00 4.44 0.00 2.16 2.04 0.00 3.76 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 1.97 1.95 0.00 72 G 8.96 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 0.00 0.00 0.00 73 E 7.73 4.67 0.00 2.25 1.84 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 2.23 2.19 0.00 74 D 8.54 4.89 0.00 2.88 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 75 P 0.00 4.21 0.00 2.31 2.26 0.00 3.53 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 1.82 1.93 0.00 76 L 7.96 3.10 0.00 1.79 1.77 0.75 0.97 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 77 E 8.81 3.86 0.00 2.08 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 2.27 2.42 0.00 78 A 8.00 4.13 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 79 A 7.87 3.74 0.71 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 0.00 0.00 80 R 7.64 3.71 0.00 1.78 2.03 0.00 3.06 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 81 R 7.96 3.81 0.00 1.87 2.01 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 82 E 8.40 4.02 0.00 1.96 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 2.46 2.51 0.00 83 L 8.00 3.88 0.00 1.80 1.77 0.86 0.96 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 84 A 7.83 4.24 1.41 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 85 E 8.50 3.90 0.00 1.88 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 2.33 2.58 0.00 86 E 8.35 4.31 0.00 1.96 1.97 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 2.30 2.54 0.00 87 T 7.60 4.43 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 88 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 89 L 7.41 5.47 0.00 1.69 1.59 1.10 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.81 4.64 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 91 G 8.08 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 92 D 8.94 4.83 0.00 2.58 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 93 L 8.47 5.17 0.00 1.51 1.62 0.71 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 94 T 8.88 4.75 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 1.19 0.00 0.00 95 Y 8.90 3.53 0.00 2.72 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 96 L 6.92 3.91 0.00 0.27 0.13 -0.30 0.68 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 97 F 5.46 4.38 0.00 2.84 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.72 5.38 0.00 3.62 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 99 Y 8.04 4.78 0.00 2.99 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 0.00 100 F 8.77 4.80 0.00 3.13 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 0.00 101 V 8.31 4.08 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 0.63 0.00 0.00 0.95 0.00 0.00 102 S 7.38 4.78 0.00 3.90 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.40 0.00 2.14 2.15 0.00 3.82 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 104 G 8.05 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 0.00 0.00 0.00 105 F 7.74 5.05 0.00 3.27 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 0.00 106 T 7.44 5.12 3.24 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 0.57 0.00 0.00 107 D 8.40 4.82 0.00 2.77 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 0.00 108 E 7.97 4.00 0.00 1.85 1.77 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 2.18 2.37 0.00 109 K 8.69 4.59 0.00 1.51 1.39 0.00 1.14 0.00 0.00 1.57 0.00 0.00 2.50 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.78 0.28 7.81 110 T 8.19 4.83 2.79 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 1.14 0.00 0.00 111 H 9.30 5.08 0.00 3.32 3.40 0.00 5.79 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.73 4.83 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 0.91 0.00 0.00 1.23 0.00 0.00 113 F 9.24 5.04 0.00 2.95 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.88 5.04 0.00 1.50 1.42 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 115 A 9.01 5.21 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 0.00 116 E 8.93 4.65 0.00 1.91 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 2.26 2.29 0.00 117 N 8.58 4.17 0.00 2.96 2.85 0.00 0.00 6.95 7.85 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 0.00 118 L 7.67 4.49 0.00 1.73 1.71 1.22 0.99 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 0.00 119 K 8.89 4.73 0.00 1.77 1.85 0.00 1.31 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.37 7.81 120 E 8.89 4.63 0.00 2.04 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 2.31 2.52 0.00 121 V 8.57 4.07 2.08 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 0.76 0.00 0.00 0.97 0.00 0.00 122 E 8.28 4.47 0.00 2.10 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 2.23 2.29 0.00 *131 I 7.80 4.21 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 1.24 0.83 0.92 0.00 0.00 132 E 8.74 4.37 0.00 2.05 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 0.00 2.28 2.27 0.00 133 V 8.38 4.05 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 0.64 0.00 0.00 0.89 0.00 0.00 134 V 8.99 4.40 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 0.99 0.00 0.00 0.96 0.00 0.00 135 W 8.64 4.98 0.00 3.25 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 0.00 136 M 9.41 4.98 0.00 2.29 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 137 R 8.71 4.56 0.00 1.96 2.05 0.00 3.50 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 1.91 1.66 0.00 138 P 0.00 4.51 0.00 1.60 2.08 0.00 3.01 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 0.57 1.91 0.00 139 E 8.16 4.18 0.00 2.13 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 0.00 2.55 2.70 0.00 140 E 8.12 4.05 0.00 2.19 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 2.43 2.35 0.00 141 A 8.12 3.86 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.31 4.19 0.00 2.03 1.97 1.08 0.72 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 0.00 143 E 8.19 4.20 0.00 2.21 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 2.31 2.22 0.00 144 R 8.31 3.87 0.00 1.89 2.01 0.00 3.07 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 145 H 8.02 4.29 0.00 2.56 3.40 0.00 5.64 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 0.00 146 Q 8.32 3.95 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.62 0.00 0.00 0.00 0.00 0.00 2.44 2.77 0.00 147 R 7.70 4.31 0.00 1.92 1.93 0.00 3.21 0.00 0.00 3.21 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 148 G 7.89 3.81 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 0.00 149 E 8.29 4.12 0.00 1.87 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 2.26 2.34 0.00 150 V 7.19 4.51 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 0.48 0.00 0.00 0.73 0.00 0.00 151 E 8.55 4.72 0.00 1.87 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 2.27 2.25 0.00 152 F 8.59 5.67 0.00 2.84 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 0.00 153 S 8.67 4.81 0.00 4.03 4.09 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 0.00 154 A 8.82 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 T 8.13 4.01 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 1.38 0.00 0.00 156 G 8.25 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 0.00 0.00 0.00 157 L 7.75 3.10 0.00 1.35 1.60 0.56 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 158 V 8.01 3.63 2.26 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 1.16 0.00 0.00 0.62 0.00 0.00 159 G 8.22 3.69 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 0.00 0.00 0.00 160 V 7.91 3.81 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 1.18 0.00 0.00 1.22 0.00 0.00 161 L 8.35 4.06 0.00 1.71 1.68 0.84 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 162 Y 8.60 4.16 0.00 3.42 3.35 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 0.00 163 Y 8.40 4.08 0.00 3.22 3.22 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 0.00 164 H 8.13 3.77 0.00 3.30 3.28 0.00 5.70 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 A 7.47 3.73 0.46 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 0.00 166 F 7.66 4.73 0.00 2.34 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 0.00 167 L 7.71 4.57 0.00 1.65 1.76 1.29 1.05 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 0.00 168 R 7.47 3.99 0.00 1.55 1.67 0.00 3.12 0.00 0.00 3.03 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.91 0.00 * Residues marked with a * may have inaccurate shift predictions.