NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4343 8.3044 120.3405 54.9777 33.4455 173.6106 2 K 4.1071 8.6717 121.4533 56.4983 32.2027 175.7821 3 M 4.4987 8.7983 126.2973 56.2381 33.4040 177.5423 4 K 3.8600 8.2260 120.2181 59.9573 32.2164 178.2298 5 E 4.0256 8.3033 117.9685 59.1897 29.3438 179.0294 6 F 4.2573 8.4207 120.3156 61.4267 39.5747 177.0321 7 L 3.7511 8.3094 118.8578 57.7386 41.3513 179.3219 8 D 4.2835 8.2812 118.9138 57.3186 40.5962 178.7406 9 L 3.9091 7.7536 119.4433 57.6941 41.3970 179.4072 10 L 3.7503 7.4841 119.2960 58.2344 42.0769 178.5504 11 N 4.4553 8.1045 115.1268 55.4847 38.6152 176.4590 12 E 4.2841 7.8124 117.9922 55.8990 30.3062 176.4090 13 S 4.2977 7.1062 114.8895 57.5249 63.2154 173.8612 14 R 3.9871 8.6468 128.1606 58.9911 30.3386 176.5055 15 L 4.5315 8.2901 120.6410 54.2064 45.8063 174.3263 16 T 5.1827 8.6816 122.7475 61.8667 71.5852 173.5783 17 V 4.9932 8.7899 118.9767 59.6522 35.6196 174.6363 18 T 5.0932 8.4199 112.1706 59.8192 72.0952 172.4874 19 L 5.0553 8.8579 126.0272 53.5488 44.7174 175.1304 20 T 5.0940 8.9958 116.6422 60.2157 72.2273 174.0554 21 G 4.3026 8.4195 110.9167 44.3307 0.0000 172.7331 22 A 4.0867 8.7084 120.5678 55.0986 18.5023 180.2409 23 G 3.6809 8.2417 102.0566 47.8582 0.0000 175.2155 24 I 3.8768 7.6316 119.8593 62.8322 38.3542 176.6824 25 S 4.7345 7.7166 113.9862 58.8855 64.1956 175.7794 26 T 4.5457 7.8693 114.5413 63.9122 68.0273 174.4771 27 P 4.4199 0.0000 0.0000 64.6500 31.4614 177.6187 28 S 4.5580 7.7849 112.3306 58.4576 63.0286 174.8094 29 G 3.8841 8.1407 110.5305 45.1567 0.0000 173.3592 30 I 4.2183 7.3734 121.1237 58.7145 37.8645 173.7714 31 P 4.2060 0.0000 0.0000 62.1674 31.6626 176.0176 32 D 4.2870 8.1385 120.9286 53.6690 40.6318 176.2579 33 F 4.6867 8.3487 128.2469 57.5784 40.3861 176.3998 *45 Q 4.2675 8.4276 118.7319 55.1344 29.9202 174.0752 46 N 4.7855 7.2067 114.5510 52.7901 38.6981 177.4930 47 V 3.4371 7.2609 120.2562 64.0268 31.5687 176.6533 48 F 4.8908 8.0322 118.0732 57.4761 39.3427 174.4728 49 D 5.3368 8.4940 123.0632 53.5939 42.5740 177.2995 50 I 3.3475 8.8453 124.5987 64.0677 38.0783 178.0764 51 D 4.4856 8.1852 119.7121 56.4545 39.2164 178.1889 52 F 4.0674 8.2918 121.6565 60.7858 39.4931 176.6108 53 F 3.8180 8.1911 120.2914 61.6180 38.8665 176.8646 54 Y 4.0975 7.3215 114.6055 60.8252 37.6664 178.1378 55 S 4.1393 7.8116 115.6960 60.6624 64.3932 174.5829 56 H 4.8734 7.8432 117.6233 52.9140 29.3342 172.6981 57 P 3.9242 0.0000 0.0000 65.1385 31.4836 178.1988 58 E 4.2839 8.1109 116.9002 59.3205 29.4333 178.8887 59 E 4.0845 8.2438 119.7360 58.9339 29.5546 178.7152 60 F 4.1167 8.2341 120.3204 61.7828 39.1285 176.7627 61 Y 4.2538 8.3530 116.1589 60.6079 36.6391 178.3323 62 R 3.9354 8.1695 120.0781 59.3630 30.2400 178.2603 63 F 4.0612 8.2648 120.2664 61.2145 39.2906 176.6577 64 A 2.9850 7.6082 120.6355 54.8860 17.6757 179.6009 65 K 3.9574 7.2596 115.6614 59.0867 32.1695 178.3623 66 E 4.4113 7.0542 112.9639 56.9800 30.5897 177.5254 67 G 3.4767 7.3856 104.6270 44.2488 0.0000 174.2759 68 I 4.2411 6.4094 119.5713 63.1644 38.7706 177.7456 69 F 4.6202 7.7979 118.7898 60.2954 38.7772 175.9762 70 P 4.3986 0.0000 0.0000 65.4180 31.0881 178.2450 71 M 4.1778 8.2087 117.8773 58.3273 31.5654 178.5138 72 L 4.1426 8.0210 118.3011 57.3509 41.8220 178.6535 73 Q 4.2437 7.9182 116.0382 55.9751 29.3752 176.2327 74 A 4.1942 7.3262 123.2281 51.9250 19.0756 176.8120 75 K 4.6610 8.1650 120.0810 53.4383 34.6189 174.8890 76 P 4.2451 0.0000 0.0000 62.8752 31.9372 176.0358 77 N 4.9755 8.5427 118.3178 51.1947 41.1205 175.0867 78 L 3.9007 8.3969 119.9286 58.3430 41.9946 178.8857 79 A 3.9846 8.1555 120.8110 55.3195 18.4104 179.2531 80 H 4.1572 8.2561 114.2803 59.1002 28.7567 178.0581 81 V 3.6330 8.1032 120.1731 65.7650 31.3022 177.6670 82 L 3.9403 8.2301 120.4172 58.3288 41.9169 179.0422 83 L 4.0620 7.9879 118.3938 57.6622 41.5355 179.3667 84 A 4.0266 7.9349 120.3073 55.1585 18.3720 179.8796 85 K 3.9684 8.3541 117.2323 59.5865 32.0833 179.6512 86 L 4.0180 8.4127 119.7808 57.6031 41.4752 179.1172 87 E 4.1851 8.2758 120.6656 58.8322 29.3893 178.4977 88 E 3.9482 8.0719 118.0067 59.0692 29.7717 178.1554 89 K 4.3008 7.8057 115.8250 56.3155 32.2941 177.6653 90 G 3.8926 7.9150 107.5254 46.1399 0.0000 174.5003 91 L 4.4867 8.2320 119.3990 54.5093 42.3391 176.7526 92 I 4.8000 7.2056 111.5107 59.1080 40.6618 175.2020 93 E 4.2240 9.2316 123.7362 58.6546 30.5422 176.0168 94 A 4.7282 7.6726 118.1292 50.8904 23.1596 175.1036 95 V 4.6933 8.4965 119.8369 60.4855 33.8341 174.5355 96 I 4.7621 8.8342 129.6027 60.0703 39.0339 174.6591 97 T 4.9833 8.8730 122.0089 60.4787 70.2056 174.2410 98 Q 4.1372 8.9364 125.7188 56.8152 29.4065 175.8991 99 N 4.8433 8.2141 117.3424 52.5179 39.7527 175.3970 100 I 4.5258 8.5618 113.1614 60.1041 38.4694 176.5224 101 D 4.4936 7.9844 119.8696 53.8283 40.0449 176.9247 102 R 4.4227 8.0131 117.2514 56.8642 27.9313 177.8658 103 L 3.9950 8.3324 121.1188 57.7475 41.3535 179.0696 104 H 4.2058 8.0471 116.0370 59.0827 28.7046 177.6572 105 Q 4.2040 8.0509 119.3027 59.0239 28.4232 178.7634 106 R 3.9913 7.9583 117.9391 58.7657 30.1435 178.1720 107 A 4.3028 7.6972 118.7779 52.5443 18.7968 178.0303 108 G 4.0262 7.8092 105.3638 44.9171 0.0000 174.3961 109 S 4.4481 7.8184 116.2714 58.5545 63.3942 174.3430 110 K 4.1329 9.3627 124.1760 57.3389 32.8867 176.3914 111 K 4.4126 8.3108 121.6045 54.6479 33.3019 175.1716 112 V 4.7139 8.1556 126.7299 61.0720 34.2944 174.4549 113 I 4.2164 8.9620 129.8781 60.0835 37.8551 175.0653 114 E 4.5549 8.6216 128.2341 54.8517 29.1483 176.8738 115 L 4.1395 8.6446 125.9327 56.5223 42.4786 178.1155 116 H 4.8085 7.6084 115.5024 55.1097 29.8944 175.2915 117 G 3.7867 9.1029 108.9007 45.6477 0.0000 172.5508 118 N 5.0478 8.2808 117.0267 51.9217 40.1793 175.0836 119 V 4.0149 8.4468 118.1655 63.1556 32.2230 176.6531 120 E 4.6412 8.7741 120.1898 57.0302 31.4059 175.5085 121 E 5.2506 8.3988 118.8647 54.8728 32.3498 174.7701 122 Y 5.3188 9.2643 120.2838 56.8686 43.0308 173.7070 123 Y 5.5847 8.6990 117.8297 55.8585 42.1746 173.5805 124 C 4.7378 9.5209 122.7753 59.6703 32.0416 175.1105 125 V 3.8674 9.0142 120.7972 64.3325 31.5257 177.6320 126 R 4.2173 8.1477 119.0696 58.4239 30.1470 176.6530 127 C 4.4627 8.0183 110.1574 57.3844 30.5738 174.3693 128 E 4.2769 8.5197 118.8027 56.7807 27.3928 174.1196 129 K 3.9805 7.5372 121.0424 57.1947 33.0843 175.9818 130 K 5.0153 8.5446 126.2861 56.2973 33.3209 175.7152 131 Y 5.0134 9.2630 120.7421 56.5947 42.8187 174.8266 132 T 5.0807 9.1738 112.5372 60.4480 71.1659 176.1796 133 V 3.4818 8.7507 122.5643 65.2500 31.2046 178.4674 134 E 3.8297 8.0929 118.4634 58.7835 29.3407 178.6861 135 D 4.3554 8.1701 119.3096 57.3935 40.8650 179.0667 136 V 3.2756 7.4104 118.5889 65.7462 31.2232 177.8810 137 I 3.2699 7.2292 118.8438 64.2436 37.2142 177.8865 138 K 3.9886 7.8937 120.0310 59.5520 32.1848 178.9930 139 K 3.9260 8.0279 118.6843 59.2841 31.7164 178.8320 140 L 4.6335 7.6344 118.6247 55.9098 41.6473 178.6425 141 E 4.1807 7.8987 118.7734 58.0726 29.4624 177.3772 142 S 4.6801 7.6810 109.9270 57.5963 64.2335 173.5080 143 S 4.6156 7.4363 114.8174 57.0773 65.0911 173.9561 144 D 4.6431 8.5527 123.5869 54.6505 39.9417 176.8019 145 V 4.3465 7.2744 112.8178 58.6591 35.5485 172.9709 146 P 4.3910 0.0000 0.0000 62.3751 32.5389 174.8529 147 L 5.1399 8.0887 123.3115 52.4412 44.8710 175.8799 148 C 4.2434 9.0385 123.7616 59.8238 32.0378 174.5482 149 D 4.5455 9.4238 126.1545 56.9201 40.9621 177.6140 150 D 4.6251 8.3156 118.3776 56.2025 41.0585 176.7850 151 C 4.6739 7.6355 109.7935 56.7679 30.8425 174.2688 152 N 4.6098 8.3247 117.5747 54.4029 37.8644 173.7668 153 S 4.6036 7.3179 113.2480 57.4341 65.0816 173.0873 154 L 4.3906 8.3734 123.2768 55.4701 42.9178 175.5717 155 I 4.8383 8.5858 128.2558 60.6260 38.0487 175.4533 156 R 5.2768 9.2535 123.2460 52.3567 32.8679 173.2913 157 P 3.3261 0.0000 0.0000 61.7412 32.2868 175.9398 158 N 4.9234 8.4014 121.7596 53.6556 37.3677 174.2060 159 I 4.7202 7.1559 119.2126 59.4610 40.4517 177.4742 160 V 4.0952 8.2598 126.9253 62.3998 31.7234 175.8648 161 F 4.4943 9.6419 127.6987 56.4601 40.7395 175.5995 162 F 4.1889 9.0613 120.6814 59.5433 39.0901 176.8471 163 G 4.0973 9.3547 113.5537 45.1481 0.0000 172.9563 164 E 4.7127 7.5934 118.5083 54.3335 31.5343 175.6382 165 N 4.5540 8.4408 118.4361 53.0561 39.2610 175.5975 166 L 4.2170 8.2570 122.0675 53.4539 42.7169 175.7790 167 P 4.2873 0.0000 0.0000 63.2684 32.0109 177.1895 168 Q 3.9828 8.6970 121.6058 59.4795 28.6124 178.4164 169 D 4.2931 8.0377 120.4094 56.7911 40.8814 178.4350 170 A 3.9416 7.8879 120.8161 55.0273 18.3905 179.2865 171 L 3.8546 7.9722 118.8291 58.3078 42.1186 179.3459 172 R 3.8865 8.1309 118.1111 59.3025 29.9365 178.6839 173 E 3.8811 8.4603 119.0226 59.1531 29.5599 178.6973 174 A 3.9512 8.2338 121.0415 55.1826 18.4239 179.7059 175 I 3.7189 8.1057 118.7161 64.3077 37.2975 178.8600 176 G 3.6155 8.2541 106.6789 47.9194 0.0000 175.7148 177 L 4.0265 8.1780 122.2423 57.5301 41.4886 179.8669 178 S 4.1394 8.3080 115.5087 61.5551 62.5263 176.8971 179 S 4.1552 8.0822 116.0405 61.0602 62.9379 176.1636 180 R 4.1374 7.7295 119.7541 56.6917 30.4242 176.8286 181 A 4.2921 7.1818 122.2416 51.9748 19.0438 177.6968 182 S 4.4232 8.8361 117.2188 60.2160 64.7786 173.8889 183 L 5.1126 7.7283 122.6543 53.6524 45.4978 174.0405 184 M 5.0297 9.2107 126.5145 53.8434 34.8675 174.2668 185 I 4.8866 8.7316 127.0696 59.6176 40.0675 174.6640 186 V 4.4040 8.8442 128.7603 61.8513 33.1886 174.6734 187 L 4.7823 8.8095 128.0828 53.2134 44.6827 176.8767 188 G 3.6231 9.2506 114.0332 46.4620 0.0000 171.8634 189 S 4.9390 7.9068 113.1442 56.0053 64.4882 173.8425 190 S 4.3613 8.7259 120.4960 58.0836 63.6409 173.5542 191 L 3.6127 7.6735 120.1273 56.9085 39.1151 175.1792 192 V 4.4882 7.8506 107.8290 60.9060 33.6817 176.0177 193 V 4.4777 7.6551 121.1233 61.4133 32.5992 174.1858 194 Y 4.8592 8.7044 124.8046 56.0890 39.9984 174.4442 195 P 4.6950 0.0000 0.0000 63.5354 31.8492 177.7248 196 A 3.8763 8.0340 121.5467 55.6878 17.9555 179.4279 197 A 3.7039 7.5502 117.8053 54.4770 18.6066 178.6941 198 E 4.0015 7.7485 115.6266 56.7437 29.8632 178.2992 199 L 3.9029 7.6571 120.5666 57.3922 41.7149 177.4946 200 P 4.1421 0.0000 0.0000 65.3178 31.1752 178.2930 201 L 3.9236 7.4608 118.6927 58.1446 41.9665 178.9351 202 I 3.6813 7.7301 119.6493 64.6339 36.9848 178.4354 203 T 4.1189 7.7139 117.7953 66.1661 68.4444 176.8755 204 V 3.9864 7.7536 121.3081 65.6866 31.3653 178.3425 205 R 4.0258 8.2204 117.0380 58.9294 29.9714 178.4582 206 S 4.4443 7.7333 113.1391 58.3775 63.2011 174.4780 207 G 3.9064 7.4505 108.1642 45.0495 0.0000 174.2215 208 G 4.0245 8.4511 108.5739 45.4024 0.0000 172.8782 209 K 4.8675 8.8582 119.0519 54.4420 35.3478 175.5410 210 L 5.1986 8.3484 123.2982 53.3197 45.3943 174.9758 211 V 4.9479 8.9690 126.0619 61.1869 34.5355 173.9798 212 I 4.8238 8.7512 128.4628 59.4666 40.0548 174.5564 213 V 4.6473 8.5524 127.7171 61.3939 33.5959 173.8224 214 N 4.8642 8.7072 125.3165 52.5351 42.9416 173.5965 215 L 4.5755 8.5958 128.7871 54.6499 40.9395 174.6576 216 G 4.2406 8.2749 109.3692 42.2037 0.0000 171.4782 217 E 4.3092 8.3941 120.0622 56.1716 30.6916 176.2771 218 T 4.7538 8.8686 110.0897 59.1403 71.6315 173.2838 219 P 4.2881 0.0000 0.0000 64.4843 31.6105 177.2337 220 F 4.9827 7.8897 116.0461 56.4131 39.5615 177.2673 221 D 4.4803 8.0694 124.0837 57.2691 40.4316 178.5764 222 D 4.4173 8.2682 118.5955 55.4381 39.3629 177.4167 223 I 4.3302 7.6186 110.6216 60.1735 38.2494 175.4002 224 A 4.3746 7.5759 124.9550 52.4210 18.9747 177.9750 225 T 4.1748 8.8705 120.6082 66.0425 69.2099 175.3018 226 L 4.8161 7.9106 119.7800 52.5926 46.0663 175.5113 227 K 4.8353 8.4965 123.4956 54.8677 34.9219 174.7355 228 Y 4.3142 9.2152 126.1496 56.5378 39.4741 174.2400 229 N 5.9504 8.8937 124.8785 51.3832 37.6848 173.4413 230 M 4.7133 7.9046 118.8044 53.4312 34.5452 174.2949 231 D 4.3833 8.6789 119.2765 54.7057 42.1278 177.6741 232 V 3.6174 8.4037 125.0442 65.9689 31.5122 178.5172 233 V 3.5829 7.8142 117.7590 65.8817 31.4726 177.4620 234 E 3.8903 8.7789 119.3559 59.0246 29.3589 178.4674 235 F 3.9346 8.4188 120.6048 61.2837 39.4289 176.9308 236 A 3.7603 8.1761 120.3124 55.0476 18.1190 179.5206 237 R 3.7642 8.1739 117.3969 59.6935 30.0852 179.0149 238 R 3.8125 7.8693 117.8002 59.0834 29.9375 179.2063 239 V 3.3725 7.4810 118.2420 66.1355 31.4595 178.0331 240 M 4.0237 8.0045 118.3971 58.3510 31.8886 178.6732 241 E 3.9172 8.2121 118.6512 59.5908 29.5117 179.2054 242 E 4.2498 8.3976 117.2025 58.2040 29.7706 178.4424 243 G 3.9054 8.3694 104.2213 43.6238 0.0000 173.5367 244 G 3.8845 7.4656 107.8406 46.7225 0.0000 174.0689 245 I 3.9982 7.8295 125.1599 61.1097 37.2031 176.1704 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 1 M 8.30 4.43 0.00 2.23 2.49 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.63 0.00 2 K 8.67 4.11 0.00 1.86 1.81 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.67 1.58 7.81 3 M 8.80 4.50 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.70 0.00 4 K 8.23 3.86 0.00 1.86 1.88 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.58 7.81 5 E 8.30 4.03 0.00 2.24 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 0.00 2.45 2.47 0.00 6 F 8.42 4.26 0.00 3.44 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 7 L 8.31 3.75 0.00 1.86 1.67 0.94 1.44 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 8 D 8.28 4.28 0.00 2.82 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 9 L 7.75 3.91 0.00 1.74 1.65 1.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.48 3.75 0.00 0.81 1.41 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.10 4.46 0.00 2.73 2.82 0.00 0.00 7.08 8.51 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 12 E 7.81 4.28 0.00 1.98 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 2.33 0.00 13 S 7.11 4.30 0.00 3.88 3.71 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 14 R 8.65 3.99 0.00 1.80 1.93 0.00 3.28 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 15 L 8.29 4.53 0.00 1.70 1.44 0.91 0.65 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 16 T 8.68 5.18 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 17 V 8.79 4.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.91 0.00 0.00 18 T 8.42 5.09 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 1.24 0.00 0.00 19 L 8.86 5.06 0.00 1.67 1.46 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 20 T 9.00 5.09 4.28 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 1.22 0.00 0.00 21 G 8.42 4.30 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 0.00 22 A 8.71 4.09 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 23 G 8.24 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.63 3.88 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.71 0.99 0.00 0.00 25 S 7.72 4.73 0.00 3.88 3.86 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 0.00 0.00 0.00 26 T 7.87 4.55 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 27 P 0.00 4.42 0.00 2.03 2.15 0.00 3.67 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 2.00 2.15 0.00 28 S 7.78 4.56 0.00 4.04 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.59 0.00 0.00 48 F 8.03 4.89 0.00 3.33 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.49 5.34 0.00 2.96 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 50 I 8.85 3.35 1.93 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.22 1.06 0.00 0.00 51 D 8.19 4.49 0.00 2.99 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 52 F 8.29 4.07 0.00 3.21 3.40 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 53 F 8.19 3.82 0.00 2.35 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 0.00 0.00 0.00 0.00 54 Y 7.32 4.10 0.00 2.96 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 55 S 7.81 4.14 0.00 3.59 3.41 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 56 H 7.84 4.87 0.00 2.02 2.74 0.00 5.62 0.00 0.00 0.00 0.00 6.78 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 3.92 0.00 2.15 1.56 0.00 3.65 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.66 0.00 58 E 8.11 4.28 0.00 2.28 2.28 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 2.37 2.35 0.00 59 E 8.24 4.08 0.00 2.18 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 0.00 2.29 2.49 0.00 60 F 8.23 4.12 0.00 3.32 3.21 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 61 Y 8.35 4.25 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 62 R 8.17 3.94 0.00 2.09 2.15 0.00 3.14 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 63 F 8.26 4.06 0.00 2.96 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.61 2.98 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 73 Q 7.92 4.24 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.88 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 74 A 7.33 4.19 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 75 K 8.16 4.66 0.00 1.74 1.71 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.39 7.81 76 P 0.00 4.25 0.00 2.18 2.16 0.00 3.72 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 1.98 2.01 0.00 77 N 8.54 4.98 0.00 3.01 3.03 0.00 0.00 5.78 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.40 3.90 0.00 1.77 1.70 0.91 1.01 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 79 A 8.16 3.98 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 80 H 8.26 4.16 0.00 3.35 3.35 0.00 5.82 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.10 3.63 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 1.09 0.00 0.00 1.00 0.00 0.00 82 L 8.23 3.94 0.00 1.87 1.84 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.99 4.06 0.00 1.97 1.74 0.98 0.74 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 84 A 7.93 4.03 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 85 K 8.35 3.97 0.00 1.96 1.88 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.66 7.81 86 L 8.41 4.02 0.00 1.83 1.74 1.02 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.28 4.19 0.00 2.12 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 0.00 2.31 2.18 0.00 88 E 8.07 3.95 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 89 K 7.81 4.30 0.00 1.94 1.83 0.00 1.82 0.00 0.00 1.70 0.00 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0.00 1.30 0.00 0.00 98 Q 8.94 4.14 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.62 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 99 N 8.21 4.84 0.00 2.63 2.88 0.00 0.00 6.85 6.98 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 0.00 100 I 8.56 4.53 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.27 0.91 0.00 0.00 101 D 7.98 4.49 0.00 2.81 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 0.00 102 R 8.01 4.42 0.00 2.06 2.08 0.00 3.73 0.00 0.00 3.46 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 103 L 8.33 4.00 0.00 1.46 1.20 0.86 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.05 4.21 0.00 3.19 3.34 0.00 5.62 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 0.00 105 Q 8.05 4.20 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 106 R 7.96 3.99 0.00 1.89 1.99 0.00 3.14 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 107 A 7.70 4.30 1.42 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 0.00 0.00 108 G 7.81 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 0.00 0.00 0.00 109 S 7.82 4.45 0.00 4.05 3.82 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 0.00 110 K 9.36 4.13 0.00 1.88 1.85 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.36 7.81 111 K 8.31 4.41 0.00 1.87 1.77 0.00 1.45 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.38 7.81 112 V 8.16 4.71 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 0.87 0.00 0.00 0.93 0.00 0.00 113 I 8.96 4.22 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.54 0.87 0.00 0.00 114 E 8.62 4.55 0.00 1.90 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 2.34 2.32 0.00 115 L 8.64 4.14 0.00 1.29 1.56 0.79 0.71 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 0.00 116 H 7.61 4.81 0.00 3.33 3.03 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 9.10 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 N 8.28 5.05 0.00 2.81 3.03 0.00 0.00 6.91 7.96 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 0.00 119 V 8.45 4.01 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 0.86 0.00 0.00 1.13 0.00 0.00 120 E 8.77 4.64 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 121 E 8.40 5.25 0.00 1.98 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 2.40 2.51 0.00 122 Y 9.26 5.32 0.00 3.18 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 0.00 123 Y 8.70 5.58 0.00 3.24 3.11 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 0.00 124 C 9.52 4.74 0.00 3.27 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 9.01 3.87 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 0.93 0.00 0.00 1.09 0.00 0.00 126 R 8.15 4.22 0.00 1.80 2.00 0.00 3.30 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 127 C 8.02 4.46 0.00 3.19 3.20 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 0.00 128 E 8.52 4.28 0.00 2.20 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 2.27 2.30 0.00 129 K 7.54 3.98 0.00 1.92 1.89 0.00 1.84 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.11 1.34 7.81 130 K 8.54 5.02 0.00 1.65 1.76 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.50 7.81 131 Y 9.26 5.01 0.00 3.01 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 T 9.17 5.08 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 1.31 0.00 0.00 133 V 8.75 3.48 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.11 0.00 0.00 134 E 8.09 3.83 0.00 2.00 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 2.32 2.37 0.00 135 D 8.17 4.36 0.00 3.02 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 V 7.41 3.28 1.51 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 0.65 0.00 0.00 0.36 0.00 0.00 137 I 7.23 3.27 1.69 0.00 0.00 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 0.14 -0.36 0.71 0.00 0.00 138 K 7.89 3.99 0.00 1.88 1.91 0.00 1.61 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.48 7.81 139 K 8.03 3.93 0.00 1.78 1.68 0.00 1.38 0.00 0.00 1.39 0.00 0.00 2.82 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.35 1.51 7.81 140 L 7.63 4.63 0.00 1.71 1.72 1.09 0.59 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 0.00 141 E 7.90 4.18 0.00 2.08 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 2.32 2.43 0.00 142 S 7.68 4.68 0.00 3.94 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 0.00 143 S 7.44 4.62 0.00 3.77 3.75 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 0.00 144 D 8.55 4.64 0.00 2.85 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 0.00 145 V 7.27 4.35 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 0.83 0.00 0.00 0.90 0.00 0.00 146 P 0.00 4.39 0.00 1.80 1.81 0.00 3.29 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.34 0.00 147 L 8.09 5.14 0.00 1.45 1.55 0.95 0.97 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 0.00 148 C 9.04 4.24 0.00 3.05 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 0.00 149 D 9.42 4.55 0.00 2.85 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 0.00 150 D 8.32 4.63 0.00 2.72 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 C 7.64 4.67 0.00 3.08 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 N 8.32 4.61 0.00 2.90 2.97 0.00 0.00 7.16 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 S 7.32 4.60 0.00 3.71 3.82 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 0.00 154 L 8.37 4.39 0.00 1.81 1.63 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.59 4.84 1.88 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.55 1.02 0.00 0.00 156 R 9.25 5.28 0.00 1.25 2.12 0.00 2.94 0.00 0.00 3.14 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 157 P 0.00 3.33 0.00 1.78 1.57 0.00 2.92 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.93 0.00 158 N 8.40 4.92 0.00 3.05 2.88 0.00 0.00 7.12 7.50 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 0.00 159 I 7.16 4.72 1.44 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.74 0.58 0.00 0.00 160 V 8.26 4.10 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 0.68 0.00 0.00 0.93 0.00 0.00 161 F 9.64 4.49 0.00 2.85 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 0.00 162 F 9.06 4.19 0.00 3.34 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 0.00 163 G 9.35 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 0.00 0.00 0.00 164 E 7.59 4.71 0.00 2.12 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 2.35 2.46 0.00 165 N 8.44 4.55 0.00 2.73 2.77 0.00 0.00 6.98 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 0.00 166 L 8.26 4.22 0.00 1.62 1.60 0.93 1.07 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 0.00 167 P 0.00 4.29 0.00 2.24 2.20 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 168 Q 8.70 3.98 0.00 2.26 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 169 D 8.04 4.29 0.00 2.70 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 0.00 170 A 7.89 3.94 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 0.00 171 L 7.97 3.85 0.00 1.78 1.67 0.91 0.79 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 0.00 172 R 8.13 3.89 0.00 2.09 1.96 0.00 3.18 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 173 E 8.46 3.88 0.00 2.09 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 2.29 2.31 0.00 174 A 8.23 3.95 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 0.00 175 I 8.11 3.72 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.72 0.90 0.00 0.00 176 G 8.25 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.18 4.03 0.00 1.80 1.71 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 178 S 8.31 4.14 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 S 8.08 4.16 0.00 4.02 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 0.00 180 R 7.73 4.14 0.00 1.83 2.02 0.00 3.15 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 181 A 7.18 4.29 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 0.00 182 S 8.84 4.42 0.00 3.91 4.12 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 0.00 183 L 7.73 5.11 0.00 1.72 1.48 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 184 M 9.21 5.03 0.00 2.12 1.85 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 185 I 8.73 4.89 1.94 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.75 0.93 0.00 0.00 186 V 8.84 4.40 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 0.85 0.00 0.00 0.86 0.00 0.00 187 L 8.81 4.78 0.00 1.52 1.45 0.93 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 188 G 9.25 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.91 4.94 0.00 3.76 3.68 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 0.00 190 S 8.73 4.36 0.00 4.04 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 0.00 191 L 7.67 3.61 0.00 2.06 1.91 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 192 V 7.85 4.49 2.21 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 0.79 0.00 0.00 1.00 0.00 0.00 193 V 7.66 4.48 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 1.09 0.00 0.00 1.17 0.00 0.00 194 Y 8.70 4.86 0.00 3.02 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 P 0.00 4.69 0.00 2.30 2.37 0.00 3.77 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 2.08 2.06 0.00 196 A 8.03 3.88 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 197 A 7.55 3.70 0.63 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 0.00 0.00 198 E 7.75 4.00 0.00 2.16 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 2.47 2.50 0.00 199 L 7.66 3.90 0.00 1.63 1.62 0.84 0.73 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 0.00 200 P 0.00 4.14 0.00 1.81 1.96 0.00 3.35 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.98 0.00 201 L 7.46 3.92 0.00 1.58 1.78 1.04 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 202 I 7.73 3.68 2.00 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 1.51 0.50 0.91 0.00 0.00 203 T 7.71 4.12 4.36 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 1.25 0.00 0.00 204 V 7.75 3.99 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 1.38 0.00 0.00 0.99 0.00 0.00 205 R 8.22 4.03 0.00 1.85 1.99 0.00 3.39 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.84 0.00 206 S 7.73 4.44 0.00 4.00 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 0.00 207 G 7.45 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 0.00 208 G 8.45 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 0.00 209 K 8.86 4.87 0.00 1.69 1.73 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.36 7.81 210 L 8.35 5.20 0.00 1.72 1.49 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 211 V 8.97 4.95 2.27 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 1.10 0.00 0.00 1.20 0.00 0.00 212 I 8.75 4.82 1.87 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 1.11 0.50 0.89 0.00 0.00 213 V 8.55 4.65 1.59 0.00 0.00 0.00 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 -0.55 0.00 0.00 214 N 8.71 4.86 0.00 2.74 2.56 0.00 0.00 6.46 5.98 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 0.00 215 L 8.60 4.58 0.00 1.67 1.58 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 216 G 8.27 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 0.00 217 E 8.39 4.31 0.00 2.18 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 2.27 2.29 0.00 218 T 8.87 4.75 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 219 P 0.00 4.29 0.00 1.49 1.92 0.00 3.79 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 2.03 2.07 0.00 220 F 7.89 4.98 0.00 3.11 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 0.00 221 D 8.07 4.48 0.00 2.74 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 D 8.27 4.42 0.00 2.82 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 0.00 223 I 7.62 4.33 1.94 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 1.50 0.90 0.99 0.00 0.00 224 A 7.58 4.37 1.42 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 0.00 0.00 225 T 8.87 4.17 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 1.24 0.00 0.00 226 L 7.91 4.82 0.00 1.72 1.46 1.25 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 227 K 8.50 4.84 0.00 1.66 1.58 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.44 7.81 228 Y 9.22 4.31 0.00 2.61 2.85 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 0.00 229 N 8.89 5.95 0.00 2.72 2.75 0.00 0.00 7.16 7.65 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 0.00 230 M 7.90 4.71 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.61 0.00 231 D 8.68 4.38 0.00 2.78 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 0.00 232 V 8.40 3.62 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.86 0.00 0.00 233 V 7.81 3.58 2.21 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 1.06 0.00 0.00 0.94 0.00 0.00 234 E 8.78 3.89 0.00 2.12 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 2.33 2.38 0.00 235 F 8.42 3.93 0.00 3.03 3.11 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 0.00 236 A 8.18 3.76 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 0.00 237 R 8.17 3.76 0.00 1.93 2.05 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 238 R 7.87 3.81 0.00 1.74 1.79 0.00 3.30 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 239 V 7.48 3.37 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 1.13 0.00 0.00 -0.10 0.00 0.00 240 M 8.00 4.02 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.55 0.00 241 E 8.21 3.92 0.00 1.93 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 2.39 2.46 0.00 242 E 8.40 4.25 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 243 G 8.37 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 0.00 244 G 7.47 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 0.00 0.00 0.00 245 I 7.83 4.00 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.49 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.