NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.1239 8.1849 120.6251 54.5177 42.7844 178.1521 *5 D 4.8476 8.5795 126.8122 55.1629 41.9682 174.2590 6 V 4.5116 8.2882 121.1425 60.2582 34.9391 174.0525 7 H 4.8805 9.2412 122.5874 54.4506 30.2491 174.2106 8 V 4.7206 8.1353 124.7936 60.6432 33.3026 174.9102 9 L 4.5110 8.9036 129.5916 55.3895 41.9631 176.7443 10 F 4.9759 9.0317 126.3248 56.5646 41.6782 174.4152 11 S 4.2176 8.6647 119.9422 57.5405 64.5114 175.4202 12 G 3.5066 6.1656 108.0661 44.8342 0.0000 174.1294 13 G 3.7617 7.6600 106.4039 45.1167 0.0000 174.7902 14 K 4.2812 7.9093 115.8822 58.9258 32.4201 178.2240 15 D 4.4695 7.9650 119.1571 57.1427 41.1565 178.6914 16 S 4.0900 8.0212 113.3694 61.7472 62.3470 176.3800 17 S 4.5201 8.6185 117.9924 61.6083 62.3940 176.6163 18 L 4.0428 8.1442 121.8244 57.9385 41.2749 179.4163 19 S 3.9838 8.3573 112.8519 61.4179 62.3663 176.1816 20 A 3.9014 7.9170 123.5809 54.9536 18.1717 179.8578 21 V 3.7365 8.0418 116.9180 66.1115 31.7276 178.2139 22 I 3.5921 7.8784 119.8891 64.4725 36.8738 178.3652 23 L 4.1094 7.6783 119.4045 57.5108 41.4056 179.1566 24 K 4.1193 7.8157 120.7216 59.1147 31.9142 178.9350 25 K 4.2135 7.8208 116.7410 59.1238 32.0079 178.4397 26 L 4.4062 7.6344 116.3803 54.7481 41.6626 177.5921 27 G 3.8056 8.2930 107.8786 45.3120 0.0000 173.5116 28 Y 4.2900 8.0065 117.5759 57.4308 40.0241 174.4394 29 N 4.6313 8.6522 120.3694 51.6653 40.3160 171.8413 30 P 4.5728 0.0000 0.0000 62.1798 32.4422 175.9324 31 H 4.4687 8.9247 123.7281 53.9090 29.8002 174.4594 32 L 4.6186 8.5935 125.6122 54.4234 42.8122 176.5796 33 I 5.0377 8.8401 116.6006 59.4053 41.2274 174.3428 34 T 5.0533 8.7481 120.9952 61.8799 72.2292 172.9327 35 I 4.6316 8.4237 126.1791 60.4240 38.7430 174.7015 36 N 5.2341 8.7906 124.5032 51.5684 42.3277 174.4637 37 F 5.1896 9.6147 123.8650 56.6070 39.3979 176.0350 38 G 3.9713 8.8832 107.4243 46.9765 0.0000 175.6143 39 V 4.1857 7.9760 117.7378 63.0367 33.1253 175.3186 40 I 4.6834 7.3186 112.9099 58.1820 40.6842 174.4202 41 P 4.3911 0.0000 0.0000 62.5140 29.3710 176.7425 42 S 4.2062 7.7748 116.4516 59.8838 64.0567 175.8598 43 Y 4.5075 6.7816 119.8303 57.9344 37.8796 177.2303 44 K 3.9125 7.5071 121.3275 59.7448 32.2582 178.0427 45 L 3.8687 7.9896 119.6413 58.4489 41.7723 178.8366 46 A 4.0128 7.8293 119.7312 55.0464 18.3225 178.9621 47 E 3.5798 8.2968 117.7708 59.7289 29.7254 178.4949 48 E 3.8958 8.4139 118.5125 60.1578 29.5300 179.4312 49 T 3.8615 8.3147 112.4448 65.0731 67.2983 176.0914 50 A 3.8137 8.4130 123.1740 54.7835 18.2675 179.3157 51 K 3.7911 7.9623 118.1782 59.7241 32.0128 179.0017 52 I 3.6237 7.5092 118.5141 64.5176 37.2144 178.3070 53 L 3.9357 8.1347 118.5716 55.7462 41.3173 178.0753 54 G 3.7028 7.4863 105.9229 46.0039 0.0000 172.9274 55 F 5.3659 7.7533 116.9415 54.8216 41.9789 175.8092 56 K 4.1569 8.6511 121.6865 56.9470 32.8427 175.3995 57 H 5.3455 8.8139 124.2847 54.2318 32.9663 172.4086 58 K 4.7027 8.7021 124.9880 54.5558 36.1391 174.9642 59 V 4.5807 8.2374 125.5162 60.0374 33.1687 174.5061 60 I 4.3132 8.2001 126.4922 59.5344 39.7939 174.2548 61 T 4.9167 8.3881 126.0955 62.8326 69.6538 174.0084 62 L 4.7265 8.5499 125.4978 52.1867 46.1639 175.2186 63 D 4.5011 8.5644 119.3025 54.2574 41.4579 176.4142 64 R 4.1678 9.0434 127.3893 59.8323 29.8158 177.7319 65 K 3.8896 8.7556 119.3897 59.5800 32.0703 178.7635 66 I 3.9105 8.2456 120.5967 64.3808 37.0104 178.4357 67 V 3.6191 7.3474 111.7729 63.0413 31.5306 178.3799 68 E 3.8887 8.0481 119.1637 59.2587 29.1201 179.0776 69 K 4.1229 8.1656 119.5359 58.6096 32.2263 178.4618 70 A 4.0443 7.5294 119.7397 55.0778 18.6845 178.7617 71 A 4.0674 8.0938 119.6316 55.6175 17.9127 180.2286 72 D 4.1052 7.6138 113.4950 55.3146 40.8111 178.6634 *74 I 3.9626 7.6563 121.2067 61.4943 38.9045 178.2319 75 I 3.6493 7.2955 119.2170 64.1366 37.1071 177.4406 76 E 4.0165 8.4223 121.0518 58.4632 29.4941 176.8706 77 H 4.7525 7.7776 112.5130 54.3447 30.9943 174.5697 78 K 4.5152 8.8396 125.7116 57.5184 32.1374 175.4073 79 Y 4.4535 7.8051 117.9666 57.1527 39.3267 174.1875 80 P 4.3197 0.0000 0.0000 63.3977 31.6760 178.3194 81 G 3.4076 5.3800 104.6829 47.4634 0.0000 173.4160 82 P 4.1729 0.0000 0.0000 64.9361 31.4415 178.6277 83 A 3.9877 7.7447 118.7099 55.3262 18.3825 179.6504 84 I 3.7850 7.9899 118.5809 64.4530 37.1774 178.6569 85 Q 4.0276 8.7948 119.4250 59.0814 28.5806 178.1243 86 Y 4.0896 8.2309 120.6784 60.7681 38.7942 178.5523 87 V 2.9918 7.8128 118.8551 65.9928 31.5328 177.3346 88 H 4.1105 8.1385 117.9258 59.2223 29.6455 177.2067 89 K 3.8005 7.9521 120.0509 59.8225 31.9431 179.3548 90 T 3.6620 7.4379 115.7732 66.4783 68.1999 176.6703 91 V 3.5115 7.9131 120.3604 66.0151 31.4590 177.8839 92 L 3.8942 7.9035 118.7083 58.0652 41.2663 179.3438 93 E 3.8714 8.0943 117.1961 59.4621 29.6276 179.5122 94 I 3.8355 7.6804 119.6363 64.4931 37.2542 178.5577 95 L 4.0607 8.2133 119.7597 57.5230 41.2248 179.1002 96 A 4.2963 8.0977 119.5785 54.0890 18.3903 178.3308 97 D 4.5072 7.8096 115.9471 55.0184 41.2523 176.6745 98 E 4.2048 7.6556 117.4396 56.7754 31.6421 175.7316 99 Y 4.8835 8.0738 114.8312 56.3093 40.5432 175.8356 100 S 4.5277 8.6979 118.5071 59.8952 65.0511 173.6542 101 I 4.9100 7.8637 120.1454 59.5173 39.9026 174.6473 102 L 5.4052 9.1720 127.3368 52.9815 45.1702 175.7377 103 A 5.4927 9.3313 122.8839 50.3262 23.2465 174.8394 104 D 4.7347 8.2977 117.5715 52.2666 42.8406 175.2179 105 G 4.0941 8.4312 105.9350 45.6287 0.0000 173.9513 106 T 3.8916 8.2640 117.4705 63.7667 68.9540 174.2826 107 R 4.8287 9.2617 125.8205 54.1668 32.4201 177.1781 108 R 3.9390 8.9381 121.2223 60.0398 29.8209 177.5703 109 D 4.6125 8.0593 113.8449 55.7634 41.2809 176.6051 110 D 4.6036 7.9651 119.9173 54.4949 41.4114 176.2006 111 R 4.5130 8.5870 120.9472 57.5878 31.6930 177.3748 112 V 4.6714 7.3159 108.1516 59.2111 35.6496 172.6283 113 P 4.5872 0.0000 0.0000 62.6906 31.8539 176.5346 114 K 4.2115 8.8108 118.6688 55.7393 34.2881 175.2475 115 L 4.3677 8.6665 127.2486 54.7684 42.3852 178.0470 116 S 4.6667 9.2073 117.9366 57.3541 65.9617 174.9512 117 Y 4.0604 8.4264 121.1168 61.2029 38.5319 177.6877 118 S 4.1219 8.3026 115.5535 61.6240 62.9149 176.4498 119 E 3.9304 7.9475 121.2016 59.5051 29.2612 179.4697 120 I 3.6505 7.7969 119.6581 64.3713 36.9418 178.4537 121 Q 3.8200 7.5850 117.4859 58.9496 28.6418 178.2987 122 S 4.1964 7.9567 112.9581 61.4743 62.6847 175.6314 123 L 4.1007 7.7535 122.5302 58.2782 41.4588 179.4082 124 E 3.9940 7.9481 114.3130 57.4575 28.7707 178.8622 *126 R 4.2420 7.8498 119.8866 55.7436 31.8880 176.6339 127 K 4.3275 7.8490 113.0580 55.1055 33.2453 175.6113 128 N 4.1884 7.8339 116.4379 54.7745 37.2143 171.5715 129 I 4.9307 7.2079 110.4091 59.5119 42.3511 175.8803 130 Q 4.8200 9.4091 120.9645 54.3234 31.1418 174.3151 131 Y 5.2332 9.1726 126.2939 56.1129 40.4477 174.7392 132 I 4.3806 8.3665 127.6315 59.6521 40.5676 174.7364 133 T 4.4755 8.0855 116.7532 58.8983 68.8815 172.6290 134 P 4.3840 0.0000 0.0000 65.7364 32.2449 177.6602 135 L 4.2914 7.2862 120.7861 53.4168 39.8017 177.3893 *137 G 3.8345 7.8563 105.5664 44.4476 0.0000 170.1178 138 F 4.5661 8.4064 119.1333 55.0051 40.4149 176.3048 139 G 3.9601 8.4645 112.6827 43.9100 0.0000 172.5982 140 Y 4.1950 8.9818 121.0479 60.9933 38.5770 178.6825 141 K 3.8764 8.2767 118.4960 59.7276 32.1158 179.4165 142 T 3.9548 7.8331 115.3800 66.6350 68.6126 176.5372 143 L 3.9526 8.1369 121.1133 57.9861 41.3402 179.7338 144 R 3.7074 8.0162 118.5813 59.6636 29.9789 177.9198 145 H 4.1076 8.3801 118.1854 59.4007 29.8547 177.1442 146 L 4.1341 8.1507 120.5445 57.4138 41.4426 179.1881 147 A 3.9541 8.2128 121.2634 54.8912 18.1356 179.3773 148 S 4.2215 7.5897 110.6318 60.3436 63.4936 175.7728 149 E 4.0372 7.3341 120.3169 58.2433 29.8236 177.7529 150 F 4.1190 7.7975 117.0801 57.5249 39.5770 175.5716 151 F 5.8033 7.4288 115.4455 55.5897 42.2287 175.4367 152 I 4.2328 8.9873 123.5585 60.9543 38.1009 175.2021 153 L 5.3382 8.4173 125.7953 53.2863 45.5506 175.2191 154 E 4.6871 8.5213 119.0854 55.0667 33.6492 173.7444 155 E 4.4843 8.8236 127.4730 55.9485 30.2228 175.2469 156 I 4.3391 7.7876 128.6262 59.4148 39.3602 175.5553 157 K 4.3223 8.4437 123.6354 56.9004 32.6837 174.5676 *164 S 4.8050 8.7394 120.8319 58.2984 65.1270 173.3625 165 D 4.6269 7.3059 120.2558 51.4310 41.7388 176.3986 166 Y 4.5912 7.4876 115.3837 60.8086 37.5534 178.3624 167 E 3.7182 8.3378 120.6179 58.9676 29.6223 178.3708 168 A 3.8575 7.4618 119.3819 55.3752 18.4628 179.4057 169 E 3.9416 8.1764 116.2370 59.5765 29.6105 179.5095 170 I 3.6653 7.7653 119.6745 64.6383 37.2344 178.6659 171 R 4.0145 8.3817 119.1139 59.4464 29.8295 178.6284 172 H 4.0765 8.3525 118.0974 59.3811 30.0363 177.1764 173 I 3.7168 7.9296 121.6092 64.4799 36.8804 178.2765 174 L 3.9564 7.8418 119.5800 57.6365 41.5152 179.2566 175 K 4.0562 7.9978 120.7726 59.1503 31.8776 178.3859 176 E 3.9660 7.8684 117.0326 59.6284 29.4340 179.2919 177 R 4.1898 7.6095 116.3240 56.9098 30.3449 177.4062 178 G 4.1267 7.7171 105.4190 45.1756 0.0000 173.3567 179 E 4.5534 8.4636 120.4896 54.7502 30.8268 175.5466 180 S 4.7940 8.5384 117.6798 57.1800 64.0563 173.5356 181 P 4.7691 0.0000 0.0000 65.3596 30.1291 178.3662 182 E 4.0470 8.3677 117.3793 59.3685 29.1120 178.9819 183 K 3.8900 7.5592 117.4748 59.0763 32.1997 177.5347 184 Y 4.4251 7.1896 111.7004 57.1373 39.0695 175.6339 185 F 5.0302 7.7407 117.6417 54.5588 42.4080 175.7521 186 P 4.7859 0.0000 0.0000 62.2394 32.6917 175.2232 187 E 3.9003 9.2290 122.8672 58.6375 28.5370 178.8434 *189 K 4.0856 8.8876 113.4338 55.8770 33.4660 172.8472 190 Q 4.7392 7.6687 119.6199 54.2075 31.8559 175.6969 191 T 4.8941 8.5538 119.9131 61.7048 71.7717 173.3455 192 R 4.5600 8.9623 125.6702 54.3600 32.5830 175.1335 193 V 4.0459 8.2998 126.5389 62.9945 31.6053 175.4849 194 V 4.2806 8.6588 126.8557 62.9207 34.0596 174.7508 195 G 4.0436 7.5761 105.6028 46.1194 0.0000 171.7953 196 L 5.2034 8.5809 119.6516 53.8305 42.6228 177.4483 197 K 4.1941 8.8521 123.1065 58.6635 32.8723 177.5520 198 K 4.3500 7.7876 116.7590 54.8117 34.1886 174.7254 199 E 4.6281 8.1823 120.0165 54.4269 31.1197 175.5686 200 I 4.0285 8.0957 124.9532 61.8316 37.0360 175.9258 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 3 L 8.18 4.12 0.00 1.67 1.37 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 *5 D 8.58 4.85 0.00 2.64 2.65 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 0.00 0.00 0.00 6 V 8.29 4.51 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 0.69 0.00 0.00 0.67 0.00 0.00 7 H 9.24 4.88 0.00 2.83 2.88 0.00 5.77 0.00 0.00 0.00 0.00 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.14 4.72 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 1.08 0.00 0.00 0.79 0.00 0.00 9 L 8.90 4.51 0.00 1.64 1.70 0.98 0.76 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 10 F 9.03 4.98 0.00 3.04 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 11 S 8.66 4.22 0.00 3.71 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 12 G 6.17 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 13 G 7.66 3.76 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 0.00 0.00 0.00 14 K 7.91 4.28 0.00 1.85 1.77 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.66 1.65 7.81 15 D 7.96 4.47 0.00 2.70 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 16 S 8.02 4.09 0.00 3.70 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 17 S 8.62 4.52 0.00 3.67 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 18 L 8.14 4.04 0.00 1.85 1.62 0.96 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.36 3.98 0.00 3.87 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 0.00 20 A 7.92 3.90 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 21 V 8.04 3.74 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 0.52 0.00 0.00 1.08 0.00 0.00 22 I 7.88 3.59 1.89 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.89 0.86 0.00 0.00 23 L 7.68 4.11 0.00 1.75 1.66 0.78 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.82 4.12 0.00 2.06 2.16 0.00 1.77 0.00 0.00 1.90 0.00 0.00 3.24 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.71 1.52 7.81 25 K 7.82 4.21 0.00 1.82 1.90 0.00 1.86 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.59 1.65 7.81 26 L 7.63 4.41 0.00 1.80 1.73 1.04 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.29 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 28 Y 8.01 4.29 0.00 2.93 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 29 N 8.65 4.63 0.00 2.82 2.90 0.00 0.00 6.94 7.71 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 30 P 0.00 4.57 0.00 1.01 1.49 0.00 3.28 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 0.62 1.72 0.00 31 H 8.92 4.47 0.00 2.62 3.00 0.00 5.62 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.59 4.62 0.00 1.65 1.42 0.48 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.84 5.04 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.87 0.78 0.00 0.00 34 T 8.75 5.05 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 1.33 0.00 0.00 35 I 8.42 4.63 2.03 0.00 0.00 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 1.15 0.52 0.34 0.00 0.00 36 N 8.79 5.23 0.00 2.91 2.63 0.00 0.00 6.84 7.23 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 37 F 9.61 5.19 0.00 3.10 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.88 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.98 4.19 2.36 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 0.88 0.00 0.00 1.10 0.00 0.00 40 I 7.32 4.68 1.77 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 1.43 0.80 0.63 0.00 0.00 41 P 0.00 4.39 0.00 1.66 2.14 0.00 3.61 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 1.90 1.86 0.00 42 S 7.77 4.21 0.00 3.98 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 6.78 4.51 0.00 3.36 3.32 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 44 K 7.51 3.91 0.00 1.67 1.85 0.00 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0.00 61 T 8.39 4.92 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 1.23 0.00 0.00 62 L 8.55 4.73 0.00 0.97 1.47 0.83 0.67 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 63 D 8.56 4.50 0.00 2.72 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 64 R 9.04 4.17 0.00 2.17 2.01 0.00 3.30 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 65 K 8.76 3.89 0.00 2.22 1.86 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.55 7.81 66 I 8.25 3.91 2.14 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.87 0.87 0.00 0.00 67 V 7.35 3.62 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 -0.62 0.00 0.00 0.76 0.00 0.00 68 E 8.05 3.89 0.00 2.14 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 2.47 2.45 0.00 69 K 8.17 4.12 0.00 1.63 1.98 0.00 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3.65 1.93 0.00 0.00 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 1.73 1.16 0.98 0.00 0.00 121 Q 7.59 3.82 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.87 0.00 0.00 0.00 0.00 0.00 1.77 1.91 0.00 122 S 7.96 4.20 0.00 3.92 4.01 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 0.00 123 L 7.75 4.10 0.00 1.86 1.68 0.64 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 124 E 7.95 3.99 0.00 2.18 1.94 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 2.52 2.53 0.00 *126 R 7.85 4.24 0.00 1.85 2.01 0.00 3.14 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.77 0.00 127 K 7.85 4.33 0.00 1.72 1.76 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.30 7.81 128 N 7.83 4.19 0.00 2.79 2.80 0.00 0.00 6.85 7.61 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 0.00 129 I 7.21 4.93 2.04 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 1.35 0.86 0.99 0.00 0.00 130 Q 9.41 4.82 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 131 Y 9.17 5.23 0.00 2.84 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 0.00 132 I 8.37 4.38 1.64 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.83 0.74 0.00 0.00 133 T 8.09 4.48 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 0.82 0.00 0.00 134 P 0.00 4.38 0.00 1.98 2.11 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.00 0.00 135 L 7.29 4.29 0.00 1.98 1.68 0.96 0.56 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 *137 G 7.86 3.83 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 0.00 0.00 0.00 138 F 8.41 4.57 0.00 3.12 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.46 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 0.00 140 Y 8.98 4.20 0.00 3.20 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 0.00 141 K 8.28 3.88 0.00 1.91 1.89 0.00 1.79 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.65 1.74 7.81 142 T 7.83 3.95 4.54 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 1.45 0.00 0.00 143 L 8.14 3.95 0.00 1.96 1.69 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 144 R 8.02 3.71 0.00 1.33 1.83 0.00 2.96 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 145 H 8.38 4.11 0.00 3.22 3.47 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.15 4.13 0.00 1.72 1.71 0.94 1.06 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 0.00 147 A 8.21 3.95 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 S 7.59 4.22 0.00 4.02 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 0.00 149 E 7.33 4.04 0.00 1.86 1.58 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 2.10 2.12 0.00 150 F 7.80 4.12 0.00 2.25 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 0.00 0.00 0.00 0.00 151 F 7.43 5.80 0.00 3.04 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 I 8.99 4.23 1.92 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 1.25 0.59 0.93 0.00 0.00 153 L 8.42 5.34 0.00 1.53 1.58 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 154 E 8.52 4.69 0.00 2.05 1.72 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 2.22 2.25 0.00 155 E 8.82 4.48 0.00 2.01 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 2.30 2.37 0.00 156 I 7.79 4.34 1.86 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 1.27 0.98 0.93 0.00 0.00 157 K 8.44 4.32 0.00 1.85 1.77 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.27 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.15 1.23 7.81 *164 S 8.74 4.80 0.00 3.82 4.01 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 0.00 165 D 7.31 4.63 0.00 2.42 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.49 4.59 0.00 3.10 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 E 8.34 3.72 0.00 1.90 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 1.77 1.47 0.00 168 A 7.46 3.86 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 0.00 169 E 8.18 3.94 0.00 2.14 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 0.00 2.48 2.53 0.00 170 I 7.77 3.67 2.03 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.69 1.02 0.00 0.00 171 R 8.38 4.01 0.00 1.88 1.98 0.00 2.72 0.00 0.00 2.85 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.41 0.00 172 H 8.35 4.08 0.00 3.32 3.44 0.00 5.60 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 0.00 173 I 7.93 3.72 2.03 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 1.54 1.10 0.89 0.00 0.00 174 L 7.84 3.96 0.00 1.97 1.78 0.95 0.75 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 0.00 175 K 8.00 4.06 0.00 1.80 1.88 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.35 7.81 176 E 7.87 3.97 0.00 2.17 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 2.44 0.00 177 R 7.61 4.19 0.00 1.96 1.98 0.00 3.09 0.00 0.00 3.19 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 178 G 7.72 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 0.00 179 E 8.46 4.55 0.00 2.20 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 2.31 2.38 0.00 180 S 8.54 4.79 0.00 4.04 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 P 0.00 4.77 0.00 2.31 2.32 0.00 3.69 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 2.17 2.37 0.00 182 E 8.37 4.05 0.00 1.99 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 2.46 2.35 0.00 183 K 7.56 3.89 0.00 1.54 1.64 0.00 1.46 0.00 0.00 0.82 0.00 0.00 2.63 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.30 1.02 7.81 184 Y 7.19 4.43 0.00 2.84 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 0.00 185 F 7.74 5.03 0.00 3.02 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 P 0.00 4.79 0.00 2.13 2.08 0.00 3.94 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 2.17 0.00 187 E 9.23 3.90 0.00 2.09 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 2.30 2.26 0.00 *189 K 8.89 4.09 0.00 1.79 1.86 0.00 1.91 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.50 7.81 190 Q 7.67 4.74 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.33 6.63 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 191 T 8.55 4.89 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 1.26 0.00 0.00 192 R 8.96 4.56 0.00 1.78 1.73 0.00 3.07 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 193 V 8.30 4.05 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 0.47 0.00 0.00 0.37 0.00 0.00 194 V 8.66 4.28 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 0.82 0.00 0.00 1.00 0.00 0.00 195 G 7.58 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 0.00 0.00 0.00 196 L 8.58 5.20 0.00 1.55 1.90 1.14 0.83 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 0.00 197 K 8.85 4.19 0.00 1.66 1.80 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.64 7.81 198 K 7.79 4.35 0.00 1.49 1.68 0.00 1.47 0.00 0.00 1.29 0.00 0.00 2.13 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.23 1.27 7.81 199 E 8.18 4.63 0.00 1.89 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 0.00 2.21 2.38 0.00 200 I 8.10 4.03 1.88 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.64 1.03 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.