NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6574 8.4645 119.5528 52.4707 42.3745 176.5232 3 K 4.4526 7.7975 116.0673 54.0133 34.4767 181.8568 4 N 4.5806 8.4444 118.9239 58.2723 38.4523 182.6563 5 E 4.1148 8.0644 118.9090 61.3244 29.9925 182.1164 6 L 4.1042 7.9794 120.0154 57.9746 41.6639 179.8061 7 V 3.7141 7.6790 120.1524 66.8921 31.4314 178.7325 8 Q 4.0916 8.1949 122.8468 60.5489 27.9764 181.2352 9 K 4.3134 8.6805 124.8160 59.2566 31.7888 182.1103 10 A 4.2700 8.5420 123.4935 55.9072 18.1919 180.5475 11 K 3.9650 8.2746 122.4201 59.8648 31.8858 181.1548 12 L 4.4233 8.0936 122.3472 57.2330 41.8204 179.0927 13 A 3.8672 7.7195 120.5045 55.0099 18.3784 179.0701 14 E 3.5836 8.0649 117.8628 59.4804 29.2806 179.1908 15 Q 3.9451 7.8701 117.4878 58.8083 28.6685 177.8949 16 A 4.1728 7.6204 117.9155 51.7184 18.5980 176.8012 17 E 2.9770 7.3557 115.7214 57.2269 28.1956 176.8378 18 R 4.3466 7.2678 117.9842 55.1397 28.1285 175.7689 19 Y 4.3375 7.6956 119.4405 60.1111 38.4211 176.9508 20 D 4.3227 8.0478 120.1868 57.2320 40.8175 178.0963 21 D 4.3283 7.9905 119.0220 57.4581 40.6940 178.3722 22 M 4.0832 7.9545 118.5436 58.4240 32.2192 178.1667 23 A 3.6303 8.1905 120.9921 54.9938 18.0634 179.5033 24 A 3.9363 8.1268 119.1991 55.1921 18.2751 179.6914 25 C 4.1033 7.6953 114.1608 63.0718 28.5414 175.8843 26 M 4.2293 8.0117 121.9295 58.0385 31.6757 179.4723 27 K 4.1920 8.3125 124.4540 59.4445 31.7429 184.5741 28 S 4.2140 7.6707 114.7782 61.7506 62.5927 176.6521 29 V 3.5444 7.6515 119.6702 66.3817 31.4804 177.9130 30 T 3.8618 7.6695 114.9119 66.6639 68.1751 176.3192 31 E 2.6244 7.5936 120.0742 58.2181 29.5013 179.4013 32 Q 4.0691 7.2555 121.2674 59.6083 28.1808 182.2865 33 G 4.2528 7.5006 107.3599 45.8346 0.0000 174.3307 34 A 4.1976 7.6957 121.6937 50.9005 19.3031 176.4892 35 E 3.8705 8.8367 121.5278 56.7351 29.8543 177.2143 36 L 4.3307 8.3850 126.0996 54.4238 42.5798 177.4948 37 S 4.4946 9.8208 118.5635 57.8297 65.4961 175.1510 38 N 4.1690 8.4671 118.2217 55.8018 38.1351 177.4548 39 E 3.8525 8.0011 120.6686 59.4271 29.8847 178.4446 40 E 4.0394 7.7853 117.3629 59.3689 29.4929 179.0422 41 R 4.0391 8.1862 118.8509 59.8643 30.0388 178.2825 42 N 4.6403 8.2051 115.9697 56.2469 38.4487 177.2972 43 L 4.1246 8.5214 120.8071 57.9476 41.9364 179.1326 44 L 4.0398 8.7259 120.6154 58.4671 41.9084 178.9153 45 S 4.2878 8.7621 113.3640 61.4826 62.5501 176.0698 46 V 3.5855 8.7203 121.1793 66.1133 31.2989 177.5517 47 A 4.0743 8.3560 120.4487 55.9413 18.2052 179.3377 48 Y 4.0542 8.0908 114.1157 60.6683 37.8684 178.3254 49 K 3.9244 8.5077 120.9819 59.8783 32.2481 178.4709 50 N 4.0896 7.8125 115.9227 56.2793 37.5236 177.4380 51 V 3.6502 7.6029 119.7762 66.2273 31.6408 178.3333 52 V 4.0814 8.5400 118.9302 64.2750 31.4054 178.5875 53 G 3.4834 8.2646 106.6718 47.2826 0.0000 175.6863 54 A 4.0195 8.0916 123.2147 55.2191 18.4146 179.9723 55 R 3.9093 7.5489 117.0435 59.1914 30.0374 179.6476 56 R 3.8378 7.8768 117.8235 59.4036 30.1436 178.3613 57 S 4.0950 8.2402 113.0350 61.9912 62.1746 176.2267 58 S 4.1707 8.4522 117.3664 61.6863 62.6446 176.9091 59 W 4.0334 8.7337 131.0716 60.5462 30.0657 178.2762 60 R 4.1676 8.8775 119.9324 58.5801 29.5101 179.3557 61 V 3.6003 7.8630 118.1721 66.0926 31.3830 178.3648 62 V 3.7170 8.0502 117.9773 65.2750 30.8447 177.8801 63 S 3.8004 7.8817 114.5025 60.9408 62.6408 176.6590 64 S 4.1562 7.4828 119.5349 61.7902 62.6402 176.6018 65 I 4.0633 7.2246 121.5367 64.1337 35.5574 177.8833 66 E 4.0117 7.5839 125.1211 55.9951 29.8579 174.6453 *72 A 4.3710 8.2579 134.8957 52.1909 19.3700 178.7043 73 E 3.9743 9.0465 115.3576 62.6211 29.5895 177.5191 74 K 4.2621 8.0467 124.1808 61.0628 32.1133 185.0000 75 K 4.2625 8.0317 126.9389 60.0641 31.8073 181.4445 76 Q 4.2080 8.2798 122.6654 60.3791 27.8523 180.9436 77 Q 4.0762 7.9353 121.0508 59.3395 29.1699 177.9135 78 M 3.9169 8.1396 118.8592 58.5974 32.0706 177.8095 79 A 4.2371 8.1301 120.5305 54.3306 19.0450 179.4950 80 R 4.3106 8.0281 121.2315 59.6589 30.0840 179.2305 81 E 4.0136 8.4779 118.4183 61.3561 29.8931 180.3563 82 Y 4.4025 7.9018 120.6474 60.3356 38.8796 177.7541 83 R 3.7643 8.1408 119.7019 59.6896 30.1974 178.0373 84 E 4.3295 8.3450 116.7831 57.7001 29.4070 178.3195 85 K 4.2683 7.4598 118.3994 58.0909 33.6153 178.7567 86 I 3.7595 7.4963 123.6786 64.8546 36.9437 178.6608 87 E 4.1483 8.8694 119.6110 61.4718 29.4911 181.2918 88 T 3.9686 7.6125 116.0786 66.3994 68.4830 176.7081 89 E 3.9513 8.0304 120.1490 59.3254 29.6386 178.9306 90 L 3.9583 8.3815 120.6461 58.3969 42.0104 179.1243 91 R 3.9145 8.8758 119.5848 59.5030 30.0548 178.1207 92 D 4.3641 8.5447 119.1819 57.3139 40.7861 178.8376 93 I 3.8029 7.9468 120.2306 64.6612 37.1086 178.2564 94 C 4.1627 8.0261 117.1610 62.9288 27.9424 175.6708 95 N 4.1523 8.3073 118.3392 56.4624 38.1347 176.6853 96 D 4.2500 8.0545 118.9802 57.3856 41.2525 178.5281 97 V 2.9315 7.3843 118.3079 65.9037 31.4504 177.7859 98 L 3.7346 8.2369 119.6576 57.9270 40.8336 179.7222 99 S 4.0010 8.0232 113.0800 61.0968 62.3178 176.1770 100 L 4.1150 7.8554 121.7803 57.7209 41.2340 179.0355 101 L 3.8570 8.1626 121.7695 58.8690 41.4361 180.2347 102 E 3.9288 8.0141 116.4638 60.3680 29.5756 180.3897 103 K 4.3087 7.2230 114.3835 56.5057 33.8895 176.1776 104 F 4.6799 7.8425 117.3389 59.6660 40.7372 177.4306 105 L 3.5327 7.7483 121.2004 58.0101 41.3132 181.0788 106 I 3.8890 7.7148 116.0667 62.4594 35.8510 178.9051 107 P 4.2590 0.0000 0.0000 65.6329 31.1126 177.4279 108 N 4.4984 7.6870 111.4052 53.5687 38.2159 175.5209 109 A 4.2610 7.8369 125.1221 52.3989 16.7475 178.8575 110 S 4.2274 8.2996 121.0718 62.1085 63.2389 174.0711 111 Q 4.4092 7.6872 120.8620 55.9336 30.4135 178.7045 112 A 4.2655 8.7166 125.0884 56.7562 18.3050 180.5448 113 E 4.0842 8.3694 118.3107 62.3081 29.2473 181.9315 114 S 4.2277 8.0525 119.3377 62.7948 62.3249 178.2442 115 K 4.3255 8.2129 123.0717 59.4783 32.0397 179.0204 116 V 3.6055 8.5611 119.5968 66.2066 31.2629 177.6132 117 F 3.8880 8.6569 120.5508 61.2784 38.9335 176.2735 118 Y 4.6551 7.6238 115.0046 60.0007 38.0854 177.8999 119 L 3.9784 8.1247 120.2408 57.4181 41.6208 178.9885 120 K 3.6703 8.0741 119.6348 59.9639 32.1073 178.1534 121 M 3.9735 7.7792 120.5254 59.4910 31.9502 179.1598 122 K 4.0526 7.9425 123.5159 59.4266 31.8616 181.9743 123 G 2.6391 7.6922 107.2740 47.3479 0.0000 175.0593 124 D 4.7280 7.9666 123.5303 56.8217 40.7956 179.0652 125 Y 3.5203 7.7210 116.2234 60.5655 37.8600 177.8491 126 Y 4.1604 7.9851 118.2487 60.6671 38.0866 177.8389 127 R 4.3414 8.4184 120.1219 59.3482 29.8859 178.0224 128 Y 4.4066 7.6146 116.6872 60.5954 37.8357 177.7980 129 L 4.1188 7.8406 119.7632 57.5189 41.4953 179.2055 130 A 4.0706 8.2490 120.5314 55.1711 18.3928 179.2196 131 E 4.0546 7.9159 115.6201 58.1816 29.5727 178.1003 132 V 4.0657 6.6693 109.4587 60.4894 32.7848 175.5432 133 A 4.2997 7.5130 123.0372 51.9104 18.9778 177.3765 134 A 4.5784 8.2623 121.7615 51.8349 23.6437 176.9915 135 G 3.8526 9.7000 115.1506 47.5878 0.0000 174.9517 136 D 4.7606 9.5287 119.4156 54.5623 40.6467 179.2179 137 D 4.8164 8.1291 119.7980 54.2478 42.2271 182.5191 138 K 3.9071 7.9255 124.1184 61.2142 31.2057 183.4950 139 K 4.1366 8.1796 123.0921 59.9250 31.5493 181.3627 140 G 3.7375 7.9852 105.6293 47.7930 0.0000 175.6256 141 I 3.7235 7.8055 125.3958 64.7640 37.1482 179.6774 142 V 3.9345 8.2070 122.1955 66.0434 31.1997 180.4309 143 D 4.6585 7.8178 121.9393 59.4148 40.0411 184.5805 144 Q 3.8528 7.9595 122.7183 60.0139 27.8668 180.6283 145 S 4.1698 8.1533 117.9246 61.6537 62.5054 176.8027 146 Q 3.6013 7.8221 123.1063 59.3784 27.7476 180.3732 147 Q 4.2210 7.7087 118.9329 58.6754 29.0866 177.8199 148 A 3.8426 7.5648 121.5708 55.1758 18.4693 179.1513 149 Y 3.7758 7.0907 114.8518 61.0421 37.7613 178.6774 150 Q 3.9897 7.5235 119.8704 59.0530 29.1860 177.9170 151 E 3.8783 7.9069 119.9672 59.4537 29.7125 178.8065 152 A 4.0929 7.7972 120.1942 54.7842 18.3352 179.4177 153 F 4.3161 8.3590 122.2594 61.9535 39.4632 177.9374 154 E 3.8943 8.2986 117.9046 61.2796 29.6714 180.8159 155 I 3.9014 7.7592 121.5094 64.4606 37.2052 178.6841 156 S 4.1649 8.4561 115.1106 61.1925 62.8259 176.6335 157 K 3.9071 7.7795 121.3556 57.9931 31.6998 178.4135 158 K 4.3075 7.5648 117.4726 58.2291 33.8079 177.2204 159 E 4.3610 8.0552 116.5419 56.4465 30.0966 175.9896 160 M 4.7916 7.6484 118.1647 53.0263 35.7249 175.5439 161 Q 4.2494 8.3548 120.5724 55.1572 29.7373 175.7454 162 P 4.2405 0.0000 0.0000 65.9397 31.4289 177.7819 163 T 4.1424 7.7065 104.9249 62.0601 69.2589 174.3377 164 H 4.2888 8.0637 123.9837 55.5569 30.7780 173.8535 165 P 3.6804 0.0000 0.0000 65.7460 31.1234 178.5382 166 I 4.0522 7.8767 118.3275 63.9325 37.1334 178.0845 167 R 3.9887 7.9182 119.1964 59.2856 30.1531 178.2746 168 L 4.1299 8.9220 120.1757 57.8013 41.6167 179.7733 169 G 3.6545 8.5792 106.1198 47.6775 0.0000 175.5731 170 L 4.1080 8.0776 122.5202 57.6163 42.0370 178.7622 171 A 4.2149 8.5257 121.2164 55.8063 18.4203 178.5459 172 L 3.8702 8.1423 117.8419 59.5493 41.8727 178.8755 173 N 4.4932 8.7964 116.3818 55.7672 38.5996 176.9670 174 F 4.1697 7.9492 122.0476 60.2212 39.6011 177.6937 175 S 4.0872 8.4273 114.5547 61.4642 62.7985 176.7368 176 V 3.8614 8.1565 121.9225 65.6371 31.2179 177.8128 177 F 4.1939 8.1762 120.7537 61.1106 38.8811 176.9783 178 Y 3.4482 7.8682 116.3203 60.9484 37.5697 177.5901 179 Y 3.6741 8.0377 122.8873 60.8792 38.5779 178.2632 180 E 4.1100 8.0494 117.7885 60.8370 30.3573 180.0871 181 I 4.0287 7.0928 120.4737 63.6293 37.4349 177.8201 182 L 3.8737 6.9415 116.6638 54.6761 41.6509 176.7320 183 N 4.1772 7.1338 117.4926 54.0449 36.9303 176.2064 184 S 4.5700 8.3192 115.7059 55.3578 62.6431 175.0522 185 P 3.9995 0.0000 0.0000 65.2502 31.3382 177.8559 186 E 3.9884 7.9380 116.9060 59.0664 29.4068 179.1157 187 K 3.7572 7.8361 119.1764 58.8936 32.3935 178.5540 188 A 3.7570 7.4584 121.2569 55.3668 18.2953 179.1811 189 C 4.3559 7.8756 115.0938 63.1185 28.1758 176.7698 190 S 4.1608 7.9669 117.7225 62.2758 62.6514 177.1454 191 L 4.0328 7.9866 126.3975 58.5053 40.4611 180.4716 192 A 4.5432 7.9155 118.4273 54.0237 18.8693 179.5088 193 K 3.9655 8.1480 118.7267 59.7770 32.3662 178.8451 194 T 3.8908 8.2995 116.2589 66.9734 68.3504 175.6888 195 A 4.0350 7.8463 122.3105 55.8745 18.2668 179.0721 196 F 3.8151 8.5361 117.9610 61.2559 39.3947 176.8123 197 D 4.6954 8.8344 118.3080 57.9318 40.6439 179.3043 198 E 3.9521 8.2120 116.9364 59.4965 29.8249 178.8731 199 A 4.0960 8.2965 123.2218 56.1830 18.5316 180.2893 200 I 3.5683 8.4557 118.1488 65.1460 35.2416 180.2044 201 A 4.4340 7.7738 119.4183 54.1275 18.1479 177.9107 202 E 4.6304 7.6658 115.9314 56.0691 30.3699 177.2732 203 L 4.0396 7.9398 122.1679 57.9771 42.4602 177.8791 204 D 4.7231 7.8467 120.2207 52.1034 38.1967 175.4717 *206 L 4.2187 7.4020 123.4606 54.3673 43.3420 178.4839 207 S 4.5750 8.3475 115.1001 59.7983 65.0436 175.9186 208 E 4.2196 8.7869 125.1021 61.1329 29.6868 179.6793 209 E 4.3873 8.1302 116.0127 61.3720 30.4393 183.5460 210 S 4.8218 7.7628 113.8376 58.4968 63.5080 175.5555 211 Y 3.9178 7.8907 123.5704 60.3430 38.5122 177.9447 212 K 3.9700 8.0533 120.1091 59.8038 32.5527 178.5175 213 D 4.4547 8.1784 121.1152 57.8271 40.7636 179.5742 214 S 4.0517 7.9182 119.4140 63.4851 62.2807 179.3322 215 T 3.9838 7.5500 115.9658 65.2108 68.2668 176.6769 216 L 3.9442 7.7458 124.5719 59.1278 40.7885 181.1422 217 I 3.8532 7.8648 120.0108 64.9246 37.2838 178.2500 218 M 3.8431 8.3688 119.2738 58.6682 31.7020 178.9949 219 Q 4.0699 8.3074 118.3695 58.8843 28.7708 178.5775 220 L 3.9860 8.1494 120.3409 57.5569 41.5444 179.7003 221 L 3.9597 8.1905 119.2611 57.8896 41.7596 179.4733 222 R 3.9661 8.3310 118.0161 58.7178 29.9104 178.3846 223 D 4.2923 8.0250 119.0968 57.6645 40.8525 178.3104 224 N 3.4826 7.3980 116.9865 55.8140 38.0228 177.5060 225 L 3.7319 7.2359 119.5914 57.8769 41.9948 179.5100 226 T 3.9046 7.2917 114.2245 66.4710 68.2186 175.9995 227 L 3.8419 7.3926 120.7403 58.3234 42.1372 178.8466 228 W 4.6959 8.2656 116.2087 58.1409 28.9431 176.4220 229 T 4.2713 7.8746 115.0454 62.0381 68.3249 173.4704 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 D 8.46 4.66 0.00 2.71 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 3 K 7.80 4.45 0.00 1.70 1.77 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.07 7.81 4 N 8.44 4.58 0.00 2.72 2.85 0.00 0.00 7.04 7.66 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 5 E 8.06 4.11 0.00 1.97 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 2.31 1.97 0.00 6 L 7.98 4.10 0.00 1.83 1.76 0.89 0.80 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 7 V 7.68 3.71 2.23 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 1.06 0.00 0.00 0.97 0.00 0.00 8 Q 8.19 4.09 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 9 K 8.68 4.31 0.00 1.70 1.84 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.32 7.81 10 A 8.54 4.27 1.39 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 0.00 0.00 0.00 11 K 8.27 3.96 0.00 1.77 1.83 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.32 7.81 12 L 8.09 4.42 0.00 1.94 1.83 0.92 1.25 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 13 A 7.72 3.87 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 14 E 8.06 3.58 0.00 2.14 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 0.00 2.41 2.66 0.00 15 Q 7.87 3.95 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 16 A 7.62 4.17 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 17 E 7.36 2.98 0.00 2.02 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 2.29 2.34 0.00 18 R 7.27 4.35 0.00 1.70 1.78 0.00 3.07 0.00 0.00 3.10 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 19 Y 7.70 4.34 0.00 3.03 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 20 D 8.05 4.32 0.00 2.76 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 21 D 7.99 4.33 0.00 2.93 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 M 7.95 4.08 0.00 2.37 2.04 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.61 0.00 23 A 8.19 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.13 3.94 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 25 C 7.70 4.10 0.00 3.17 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 26 M 8.01 4.23 0.00 2.05 2.16 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 2.62 2.90 0.00 27 K 8.31 4.19 0.00 1.76 1.81 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 28 S 7.67 4.21 0.00 4.02 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 29 V 7.65 3.54 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 0.81 0.00 0.00 0.98 0.00 0.00 30 T 7.67 3.86 4.33 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 1.08 0.00 0.00 31 E 7.59 2.62 0.00 1.74 1.78 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 2.20 2.27 0.00 32 Q 7.26 4.07 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.07 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 33 G 7.50 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 34 A 7.70 4.20 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 35 E 8.84 3.87 0.00 2.05 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 2.34 2.44 0.00 36 L 8.39 4.33 0.00 1.75 1.72 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 37 S 9.82 4.49 0.00 3.93 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 38 N 8.47 4.17 0.00 2.73 2.80 0.00 0.00 6.45 7.66 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 39 E 8.00 3.85 0.00 2.02 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 2.38 2.40 0.00 40 E 7.79 4.04 0.00 2.10 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 2.33 2.32 0.00 41 R 8.19 4.04 0.00 1.80 1.95 0.00 2.21 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.26 0.00 42 N 8.21 4.64 0.00 2.83 2.94 0.00 0.00 7.15 6.85 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 43 L 8.52 4.12 0.00 1.86 1.77 0.94 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.73 4.04 0.00 1.83 2.07 1.24 0.77 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 45 S 8.76 4.29 0.00 4.23 4.21 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 46 V 8.72 3.59 2.22 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 1.05 0.00 0.00 1.05 0.00 0.00 47 A 8.36 4.07 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 48 Y 8.09 4.05 0.00 3.17 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.51 3.92 0.00 2.11 1.98 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 50 N 7.81 4.09 0.00 2.14 2.28 0.00 0.00 6.72 7.40 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 51 V 7.60 3.65 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 1.13 0.00 0.00 1.06 0.00 0.00 52 V 8.54 4.08 2.50 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 0.56 0.00 0.00 1.07 0.00 0.00 53 G 8.26 3.48 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 0.00 54 A 8.09 4.02 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 55 R 7.55 3.91 0.00 2.28 2.00 0.00 3.23 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 56 R 7.88 3.84 0.00 1.88 1.83 0.00 2.23 0.00 0.00 2.59 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.68 0.00 57 S 8.24 4.09 0.00 3.92 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 58 S 8.45 4.17 0.00 4.16 3.95 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 59 W 8.73 4.03 0.00 3.39 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 1.99 0.00 74 K 8.05 4.26 0.00 1.76 1.83 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.07 7.81 75 K 8.03 4.26 0.00 1.75 1.84 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.07 7.81 76 Q 8.28 4.21 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 77 Q 7.94 4.08 0.00 2.18 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 78 M 8.14 3.92 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 79 A 8.13 4.24 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 4.31 0.00 2.16 2.09 0.00 3.26 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.37 0.00 81 E 8.48 4.01 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 2.35 2.44 0.00 90 L 8.38 3.96 0.00 1.93 1.83 0.78 0.81 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 91 R 8.88 3.91 0.00 1.96 2.11 0.00 3.17 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 92 D 8.54 4.36 0.00 2.93 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 93 I 7.95 3.80 2.16 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 1.64 0.98 1.18 0.00 0.00 94 C 8.03 4.16 0.00 3.12 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 95 N 8.31 4.15 0.00 2.91 2.85 0.00 0.00 6.70 8.64 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 96 D 8.05 4.25 0.00 2.82 2.90 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 97 V 7.38 2.93 1.47 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 0.06 0.00 0.00 -0.34 0.00 0.00 98 L 8.24 3.73 0.00 1.44 1.44 0.22 0.05 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 99 S 8.02 4.00 0.00 3.90 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 0.00 100 L 7.86 4.12 0.00 1.81 1.77 0.94 0.68 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 0.00 101 L 8.16 3.86 0.00 1.76 1.63 0.77 0.88 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 0.00 102 E 8.01 3.93 0.00 2.07 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 2.24 0.00 103 K 7.22 4.31 0.00 0.79 1.01 0.00 1.44 0.00 0.00 1.54 0.00 0.00 2.50 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.08 1.28 7.81 104 F 7.84 4.68 0.00 2.96 2.90 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 0.00 105 L 7.75 3.53 0.00 1.66 1.53 0.92 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 0.00 106 I 7.71 3.89 1.87 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 1.30 0.53 0.91 0.00 0.00 107 P 0.00 4.26 0.00 1.99 2.10 0.00 3.54 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.03 0.00 108 N 7.69 4.50 0.00 2.85 2.86 0.00 0.00 7.09 7.24 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 0.00 109 A 7.84 4.26 1.55 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 0.00 0.00 110 S 8.30 4.23 0.00 3.63 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 0.00 111 Q 7.69 4.41 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 112 A 8.72 4.27 1.32 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 0.00 113 E 8.37 4.08 0.00 1.98 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 2.32 1.96 0.00 114 S 8.05 4.23 0.00 3.73 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 0.00 115 K 8.21 4.33 0.00 1.99 2.09 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.31 7.81 116 V 8.56 3.61 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 1.02 0.00 0.00 1.01 0.00 0.00 117 F 8.66 3.89 0.00 3.06 2.77 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 0.00 0.00 0.00 118 Y 7.62 4.66 0.00 3.30 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 0.00 119 L 8.12 3.98 0.00 1.69 1.88 1.04 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.07 3.67 0.00 1.87 1.81 0.00 1.74 0.00 0.00 1.41 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.62 7.81 121 M 7.78 3.97 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.61 0.00 122 K 7.94 4.05 0.00 1.78 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.32 7.81 123 G 7.69 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 0.00 0.00 0.00 124 D 7.97 4.73 0.00 2.65 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 7.72 3.52 0.00 2.98 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 0.00 126 Y 7.99 4.16 0.00 3.13 2.86 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 0.00 127 R 8.42 4.34 0.00 2.18 1.99 0.00 3.30 0.00 0.00 3.56 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.87 0.00 128 Y 7.61 4.41 0.00 3.05 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 0.00 129 L 7.84 4.12 0.00 1.93 1.77 0.88 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.25 4.07 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 131 E 7.92 4.05 0.00 1.94 1.70 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 2.34 2.68 0.00 132 V 6.67 4.07 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 -0.64 0.00 0.00 0.88 0.00 0.00 133 A 7.51 4.30 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 0.00 134 A 8.26 4.58 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 0.00 135 G 9.70 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 0.00 136 D 9.53 4.76 0.00 2.71 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.13 4.82 0.00 2.48 2.62 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 0.00 138 K 7.93 3.91 0.00 1.75 1.80 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.10 7.81 139 K 8.18 4.14 0.00 1.75 1.89 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.46 1.12 7.81 140 G 7.99 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 0.00 0.00 0.00 141 I 7.81 3.72 2.03 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.91 1.10 0.00 0.00 142 V 8.21 3.93 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 0.77 0.00 0.00 0.93 0.00 0.00 143 D 7.82 4.66 0.00 2.62 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 0.00 144 Q 7.96 3.85 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 145 S 8.15 4.17 0.00 3.87 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 0.00 146 Q 7.82 3.60 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.54 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 147 Q 7.71 4.22 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 148 A 7.56 3.84 1.16 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 0.00 0.00 149 Y 7.09 3.78 0.00 2.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.52 3.99 0.00 2.45 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 151 E 7.91 3.88 0.00 2.13 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 2.31 2.33 0.00 152 A 7.80 4.09 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 0.00 153 F 8.36 4.32 0.00 3.31 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 0.00 154 E 8.30 3.89 0.00 2.04 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 2.24 2.22 0.00 155 I 7.76 3.90 2.01 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 1.58 0.81 0.91 0.00 0.00 156 S 8.46 4.16 0.00 4.00 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 0.00 157 K 7.78 3.91 0.00 2.00 1.74 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.32 7.81 158 K 7.56 4.31 0.00 1.87 1.88 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.42 7.81 159 E 8.06 4.36 0.00 2.06 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 2.36 2.40 0.00 160 M 7.65 4.79 0.00 1.88 2.02 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 161 Q 8.35 4.25 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 162 P 0.00 4.24 0.00 2.02 2.11 0.00 3.78 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 2.29 2.07 0.00 163 T 7.71 4.14 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 1.19 0.00 0.00 164 H 8.06 4.29 0.00 3.35 3.25 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 P 0.00 3.68 0.00 2.18 2.09 0.00 3.34 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 166 I 7.88 4.05 2.06 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 1.78 0.75 1.03 0.00 0.00 167 R 7.92 3.99 0.00 1.89 2.07 0.00 3.35 0.00 0.00 3.48 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 168 L 8.92 4.13 0.00 1.77 1.70 0.85 0.84 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 0.00 169 G 8.58 3.65 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 0.00 0.00 0.00 170 L 8.08 4.11 0.00 1.92 2.03 1.04 1.60 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 0.00 171 A 8.53 4.21 1.55 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 0.00 0.00 172 L 8.14 3.87 0.00 2.00 1.95 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 173 N 8.80 4.49 0.00 2.95 3.06 0.00 0.00 6.79 7.73 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 0.00 174 F 7.95 4.17 0.00 2.85 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 0.00 175 S 8.43 4.09 0.00 4.46 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 0.00 176 V 8.16 3.86 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 1.17 0.00 0.00 1.24 0.00 0.00 177 F 8.18 4.19 0.00 3.17 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 0.00 178 Y 7.87 3.45 0.00 3.01 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 0.00 179 Y 8.04 3.67 0.00 2.14 2.58 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 0.00 180 E 8.05 4.11 0.00 2.11 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 2.23 2.21 0.00 181 I 7.09 4.03 0.93 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 1.53 0.83 0.72 0.00 0.00 182 L 6.94 3.87 0.00 1.48 1.41 0.92 1.02 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 0.00 183 N 7.13 4.18 0.00 2.59 2.64 0.00 0.00 6.66 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 S 8.32 4.57 0.00 3.45 3.73 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 0.00 185 P 0.00 4.00 0.00 1.99 1.85 0.00 3.36 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 1.84 1.51 0.00 186 E 7.94 3.99 0.00 1.91 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 2.36 2.27 0.00 187 K 7.84 3.76 0.00 1.70 1.34 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.50 1.07 7.81 188 A 7.46 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 C 7.88 4.36 0.00 3.08 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 S 7.97 4.16 0.00 4.00 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 0.00 191 L 7.99 4.03 0.00 1.67 1.73 0.92 0.75 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 0.00 192 A 7.92 4.54 1.60 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 0.00 0.00 193 K 8.15 3.97 0.00 2.04 1.96 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.46 7.81 194 T 8.30 3.89 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 1.34 0.00 0.00 195 A 7.85 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 196 F 8.54 3.82 0.00 3.22 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 0.00 197 D 8.83 4.70 0.00 2.88 2.81 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 0.00 198 E 8.21 3.95 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 199 A 8.30 4.10 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 0.00 200 I 8.46 3.57 1.87 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 1.45 0.70 0.98 0.00 0.00 201 A 7.77 4.43 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 0.00 202 E 7.67 4.63 0.00 1.95 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 2.23 2.20 0.00 203 L 7.94 4.04 0.00 1.89 1.73 0.84 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 204 D 7.85 4.72 0.00 2.84 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 *206 L 7.40 4.22 0.00 1.71 1.55 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 207 S 8.35 4.57 0.00 4.07 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 0.00 208 E 8.79 4.22 0.00 2.09 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 2.23 1.94 0.00 209 E 8.13 4.39 0.00 2.06 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 1.96 0.00 210 S 7.76 4.82 0.00 3.80 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 0.00 211 Y 7.89 3.92 0.00 3.36 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 0.00 212 K 8.05 3.97 0.00 1.89 1.82 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.50 7.81 213 D 8.18 4.45 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 0.00 214 S 7.92 4.05 0.00 3.77 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 0.00 215 T 7.55 3.98 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 0.75 0.00 0.00 216 L 7.75 3.94 0.00 1.69 1.69 0.92 0.94 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 0.00 217 I 7.86 3.85 2.05 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 1.52 0.47 0.89 0.00 0.00 218 M 8.37 3.84 0.00 1.54 1.99 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.17 0.00 219 Q 8.31 4.07 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 220 L 8.15 3.99 0.00 1.85 1.68 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 221 L 8.19 3.96 0.00 1.99 1.83 0.94 1.14 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 0.00 222 R 8.33 3.97 0.00 2.53 2.04 0.00 3.20 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 223 D 8.02 4.29 0.00 2.83 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 0.00 224 N 7.40 3.48 0.00 1.95 1.42 0.00 0.00 7.11 6.61 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 0.00 225 L 7.24 3.73 0.00 1.50 1.67 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 226 T 7.29 3.90 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 1.15 0.00 0.00 227 L 7.39 3.84 0.00 1.45 1.38 0.83 0.87 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 0.00 228 W 8.27 4.70 0.00 3.32 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 0.00 229 T 7.87 4.27 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 1.31 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.