NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.7982 7.7358 114.8559 56.5585 42.9184 174.4137 2 G 3.1492 8.9955 113.1099 43.4821 0.0000 171.9110 3 Q 4.3893 7.5320 119.1501 54.8863 29.1750 174.0588 4 K 4.3744 8.4812 122.6598 55.5499 33.9873 177.4142 5 T 4.1229 8.0984 110.7097 61.1777 67.5462 173.3273 6 L 4.5024 8.0911 128.3377 54.3323 40.2186 176.7966 7 R 4.7815 7.9614 121.9623 54.9834 32.4643 176.8226 8 P 4.5366 0.0000 0.0000 61.7906 30.5717 176.5948 *10 I 4.7082 8.1397 123.1091 62.6082 37.9713 176.4548 11 I 3.8254 8.9843 126.5633 63.3497 37.6429 175.7100 12 G 3.8200 6.9003 104.6954 42.9788 0.0000 172.6131 13 G 3.9651 7.3083 106.3652 47.0572 0.0000 173.8103 14 E 4.8679 8.0640 119.7161 53.4940 33.8769 175.2349 15 F 4.7464 8.8425 120.7525 58.2111 40.3700 175.3245 16 T 4.4380 8.3861 115.5151 63.4930 71.9963 173.1237 17 T 4.6803 7.7439 111.5560 60.3260 71.4650 175.2447 18 I 3.6450 8.0583 122.3350 64.0498 37.3687 178.3639 19 E 3.9251 8.1805 119.2297 58.7281 29.3404 177.5743 20 N 4.5237 7.5146 114.9488 54.0681 38.5930 175.6930 21 Q 2.8925 7.2071 117.7841 52.8185 29.5944 173.6858 22 P 4.7967 0.0000 0.0000 63.5082 32.1442 178.9345 23 W 5.1889 6.5820 115.5180 57.4450 28.8691 175.3143 24 F 4.7303 8.4904 122.3519 58.4764 38.9151 174.2895 25 A 5.1109 8.5505 128.6070 50.5194 21.6077 175.2681 26 A 4.8599 8.9840 121.8627 50.2444 22.3792 175.1399 27 I 5.1272 9.0678 123.7912 59.9369 39.8457 174.6608 28 Y 5.2509 9.0304 123.7488 56.3500 41.8807 174.4304 29 R 4.6919 8.7315 122.0667 54.0854 32.6061 175.0413 30 R 3.9918 8.5559 127.8748 58.8115 30.3775 173.8635 31 H 4.2638 9.2587 124.9755 56.7312 27.2982 176.3053 32 R 4.4318 8.8974 121.7985 58.0553 34.1245 176.0445 33 G 4.1331 7.8220 100.3284 44.3627 0.0000 172.8578 34 G 3.8501 8.1703 104.4422 45.2290 0.0000 172.5411 35 S 4.5989 8.1211 116.2060 57.1649 63.9663 173.0689 36 V 5.3693 8.5728 119.7615 58.7938 34.5760 175.0301 37 T 4.8397 8.5106 115.3205 59.5707 72.0135 173.1281 38 Y 3.7847 8.8146 124.1496 58.8788 38.6998 175.2772 39 V 3.9974 8.4904 127.1120 64.1049 32.4555 174.8700 40 C 4.3574 6.9165 115.0350 55.5826 43.1823 173.5258 41 G 3.8269 8.5319 109.4714 46.0414 0.0000 172.0739 42 G 4.0661 7.2939 105.3482 46.2048 0.0000 172.4330 43 S 5.6933 8.3894 114.4855 56.0245 67.7125 173.2897 44 L 4.7365 8.7466 125.2590 54.4539 43.1516 175.6415 45 M 4.2725 9.4494 127.0955 56.2828 33.1786 176.9836 46 S 4.7490 7.5803 111.3924 55.9412 64.5385 173.1983 47 P 4.2915 0.0000 0.0000 64.6395 31.3706 178.6379 48 C 4.1785 7.7881 115.1003 56.5877 40.5522 173.7369 49 W 5.3973 8.0122 118.7591 54.9904 30.9871 175.4076 50 V 4.9202 10.0615 124.6922 61.1076 34.0019 173.8171 51 I 5.0720 8.8769 128.0438 59.7311 39.9666 173.5849 52 S 4.9790 9.5739 126.0679 57.4521 66.0064 171.8386 53 A 4.9686 8.5278 120.5474 50.1930 21.6890 176.4977 54 T 4.0077 8.5990 112.8905 65.0873 68.8042 176.0830 55 H 3.9513 8.0038 113.8460 56.5331 28.2189 174.9083 56 C 4.2238 7.5157 118.0019 57.5317 36.5172 174.3521 57 F 4.8843 7.0520 114.9106 55.9510 40.3898 176.9502 58 I 3.6443 7.9808 121.8643 64.6824 36.8725 176.8039 59 D 4.4060 8.0465 117.2860 56.1812 41.0981 176.3325 60 Y 4.7749 7.7918 116.7654 55.4283 37.9967 174.1334 61 P 4.3347 0.0000 0.0000 64.6319 32.4662 177.8941 62 K 4.1542 7.6980 120.9021 55.7973 32.2726 176.0929 63 K 3.8250 8.1722 125.5952 60.3090 32.8668 177.3028 64 E 4.1320 8.1439 121.2319 59.0648 29.9463 177.7215 65 D 4.6215 8.2093 117.4834 55.2925 41.2410 175.3958 66 Y 5.2654 7.9592 116.3959 56.1900 42.0836 174.4645 67 I 5.0309 8.6961 121.8437 59.6035 41.7536 175.0136 68 V 4.9942 8.4148 123.3040 60.5820 34.7270 173.5878 69 Y 5.0986 9.1599 123.3605 56.4331 40.0811 174.4812 70 L 4.9574 9.3489 124.8131 53.2076 44.0445 176.4173 71 G 3.6999 8.7707 111.2185 46.5942 0.0000 173.0267 72 R 4.9000 7.8820 116.2812 54.7107 33.0338 174.8335 73 S 4.8682 9.2684 120.8786 58.8919 64.0514 173.9649 74 R 5.2000 7.8863 115.6732 54.1650 32.3892 175.7909 75 L 3.3757 9.1159 125.0493 57.2733 41.8749 177.5418 76 N 4.8411 7.6411 114.5123 52.3627 39.2327 174.3653 77 S 4.7014 7.4789 111.1253 55.6868 66.2006 173.2793 78 N 4.7359 8.3799 118.0780 53.2038 39.0340 174.8170 79 T 4.5185 8.2396 118.0811 61.5456 70.6412 174.1482 80 Q 4.1513 8.4688 124.4340 58.7300 28.5461 175.8005 81 G 3.9685 9.2167 111.6655 45.1187 0.0000 173.3870 82 E 4.5821 8.0823 118.7871 56.4476 30.8894 175.8161 83 M 4.6569 9.3246 121.0696 53.6379 35.4347 173.9813 84 K 4.5093 8.0707 126.1585 54.7144 34.8994 174.7799 85 F 5.0715 8.4387 122.7563 56.1695 44.2478 173.7335 86 E 4.7907 9.5560 120.7469 54.9475 32.2368 176.0391 87 V 5.1590 7.5053 117.5446 60.2428 30.2519 175.7700 88 E 4.1379 8.2301 120.4478 58.5065 30.7388 178.0921 89 N 4.7542 8.1663 118.7853 52.0322 42.3472 172.6102 90 L 4.7982 8.6145 128.8361 53.2588 43.9945 174.9884 91 I 4.5611 9.0885 127.3985 59.2048 40.5645 173.8566 92 L 4.8689 8.5345 129.1356 53.0148 43.7859 175.7922 93 H 4.2657 8.3308 120.3861 55.9149 29.4956 175.6926 94 K 3.9651 9.1354 127.7333 60.1647 32.1201 177.4598 95 D 4.5990 8.3646 116.2907 54.6718 41.3543 175.6170 96 Y 4.4127 7.5981 121.0212 58.5892 39.3038 175.5615 97 S 4.4808 7.5397 118.6996 57.3766 67.3096 172.1689 98 A 4.5028 7.7509 118.5547 51.8998 21.1716 176.8453 99 D 4.7663 8.0852 121.5124 54.2036 40.7221 178.6116 100 T 3.9114 8.3582 113.2701 64.6059 68.8853 173.9590 101 L 4.2480 7.0159 119.9777 55.6540 44.4893 175.8052 102 A 2.0000 6.5277 120.4275 50.5596 19.7888 175.6392 103 H 4.6181 7.2653 116.4114 54.1585 31.5261 173.7047 104 H 4.7716 7.9224 120.9726 54.9798 30.3328 174.3546 105 N 4.0420 8.5410 115.3275 54.5157 36.0259 175.4430 106 D 5.2825 7.6026 117.7867 52.0390 40.1558 174.0654 107 I 4.4653 7.3958 121.2674 59.3578 41.7872 172.4114 108 A 5.2137 9.2144 130.4383 50.5305 23.1918 174.5204 109 L 5.3759 8.8095 121.2719 53.0860 43.9707 175.4882 110 L 5.1587 9.6641 124.5228 52.8222 44.6029 175.3629 111 K 3.7123 8.9482 125.9719 54.7244 33.7473 175.2132 112 I 4.8699 7.7082 119.5065 59.3348 40.8213 175.0111 113 R 4.8441 8.6714 121.5092 54.9559 34.9647 175.6899 114 S 4.5654 9.3628 120.5372 57.6123 63.7543 175.0488 115 K 3.9142 8.4964 121.8735 59.1434 31.8204 176.9931 116 E 4.3321 7.8890 116.3822 56.5506 30.5084 176.2914 117 G 4.2720 7.6596 108.3171 45.6759 0.0000 173.4122 118 R 4.6308 8.0296 115.4599 53.9224 31.7109 177.9867 119 C 4.3746 8.4784 117.1440 57.1005 41.2984 172.4317 120 A 4.9676 8.9973 122.7653 51.7561 20.3058 177.3791 121 Q 4.6911 8.7241 118.9752 53.5238 31.7411 174.1574 122 P 5.3542 0.0000 0.0000 61.2317 30.8932 174.9351 123 S 4.8581 7.9580 123.3293 57.1563 65.3506 174.8468 124 R 4.1191 8.7943 119.9576 58.6999 30.0922 177.7542 125 T 4.6035 7.9106 103.9925 61.4765 71.4421 173.1433 126 I 4.9588 7.5478 123.5936 59.8060 39.8539 173.7477 127 Q 5.0996 8.9552 125.6237 55.1992 32.7027 173.5396 128 T 4.9513 8.6950 114.6421 61.5794 70.8432 173.4365 129 I 4.2646 7.9062 116.6660 59.5704 40.7302 173.8578 130 C 4.7301 8.0077 119.7624 55.1201 41.3658 173.9103 131 L 4.2907 8.6967 124.0836 54.5747 42.2952 175.7218 132 P 4.7481 0.0000 0.0000 62.1637 31.9837 175.4121 133 S 4.8266 8.2945 113.7669 56.4939 65.3323 173.7496 134 M 4.1400 8.3182 121.2028 57.0857 32.4600 175.7430 135 Y 3.7823 8.2525 122.7128 58.7546 36.2739 170.0232 136 N 4.6043 7.4373 118.7082 52.7863 38.2740 173.6576 137 D 4.9569 8.2105 125.0721 51.1955 43.8602 173.9460 138 P 4.4568 0.0000 0.0000 62.7313 32.1159 175.3476 139 Q 4.4596 8.1009 116.9605 54.1832 30.3779 174.5934 140 F 4.4729 8.1785 113.5566 57.8470 38.7105 174.0437 141 G 4.2348 9.1964 113.6028 46.3016 0.0000 174.7175 142 T 3.8213 7.4658 114.8766 64.2438 69.5626 173.7582 143 S 4.7211 8.7399 122.6755 58.6727 63.5076 174.3735 144 C 5.1818 9.7154 123.5647 55.0141 38.2448 172.3591 145 E 5.3962 8.9531 117.7977 54.5895 32.2267 174.9113 146 I 4.8391 9.3314 118.4415 59.3505 39.8163 174.3646 147 T 4.9463 7.8880 118.1066 59.5264 70.9277 173.6618 148 G 4.5792 7.7328 111.1275 46.3706 0.0000 173.0359 149 F 5.0210 8.9917 116.5922 57.1588 39.3789 176.5288 150 G 3.7070 7.8825 109.6965 43.2009 0.0000 174.0703 151 K 4.1881 8.7213 119.1057 57.2287 32.4982 176.9790 152 E 4.7612 8.8515 118.5419 55.7228 31.2313 175.9565 153 N 5.1272 8.1533 116.4125 51.0105 41.8760 174.9749 154 S 4.2444 8.9355 118.6547 61.0129 62.9104 174.9850 155 T 4.6778 8.7682 111.4016 61.1090 68.9456 173.4343 156 D 4.8416 7.6092 120.8842 52.8735 41.3883 175.6920 157 Y 4.4401 7.6737 118.2726 57.3126 38.8808 175.0162 158 L 4.6566 7.2853 120.8627 53.2829 43.7100 175.4101 159 Y 4.8768 8.1697 120.7381 56.0454 39.1905 173.8536 160 P 4.5556 0.0000 0.0000 63.0358 32.2778 176.3480 161 E 4.0852 8.9200 120.3294 59.2635 30.5681 176.5730 162 Q 4.7227 8.0591 119.2927 54.4458 30.5525 175.3159 163 L 3.7709 9.4991 128.6950 55.6792 43.2853 175.6855 164 K 4.9742 8.1469 125.8621 54.9189 35.9259 174.3822 165 M 5.6515 8.6815 120.7925 54.5085 35.2258 173.1511 166 T 4.7699 8.1848 112.7592 61.4753 71.2366 171.7780 167 V 5.0365 8.2891 124.0622 59.9511 33.5191 175.3040 168 V 4.7397 9.5344 123.3652 59.9785 35.6567 173.8031 169 K 5.1060 8.3837 119.6490 54.5710 35.6131 175.4558 170 L 4.4015 8.3168 122.4694 56.0042 42.7182 176.1476 171 I 4.9416 8.5777 124.6243 58.9856 39.4378 176.0697 172 S 4.0162 8.2382 121.1405 58.2371 63.7029 173.4050 173 H 4.0651 9.3108 123.5483 60.3435 29.1733 177.1687 174 R 3.3186 6.9691 115.7154 59.4236 31.5409 177.2499 175 E 3.8273 8.2689 118.8089 58.2537 30.3483 178.0938 176 C 4.2894 7.8446 117.3899 57.4783 38.5023 174.1324 177 Q 5.2288 7.6181 116.8785 55.5336 28.6584 175.4867 178 Q 4.3277 7.2570 117.9747 54.7658 29.3865 175.3772 179 P 4.3411 0.0000 0.0000 66.4644 31.1337 177.5795 180 H 4.6263 8.0100 114.2972 58.1110 30.2952 175.0279 181 Y 4.9374 7.5392 118.3704 57.5854 35.8703 175.8725 182 Y 5.1066 8.3221 128.7878 58.0538 39.4378 176.8047 183 G 4.7253 7.8200 111.1127 47.1728 0.0000 176.1632 184 S 4.5143 8.7136 119.6366 58.7255 63.4536 174.8140 185 E 4.0708 8.6436 122.1937 59.6041 29.4010 178.1307 186 V 4.0851 7.9414 117.3219 62.9098 31.9292 175.4213 187 T 4.5771 8.3916 116.7644 60.3828 70.7481 174.9313 188 T 4.1098 8.3184 109.9070 62.4648 69.1403 174.9982 189 K 4.5489 7.9147 121.8695 56.9181 32.8838 175.3131 190 M 5.2211 7.7114 116.6220 53.9969 36.1570 174.6959 191 L 4.9033 9.3381 121.2651 53.2919 45.2638 174.9474 192 C 5.3488 8.8270 120.1714 55.8922 38.0535 172.7523 193 A 5.6943 9.0602 123.6418 50.9684 22.5337 175.1568 194 A 4.9719 8.4645 123.0261 50.0792 23.6402 174.3374 195 D 4.6823 8.1669 117.4720 53.5304 41.9640 175.7294 196 P 4.2953 0.0000 0.0000 63.8674 31.8045 176.3153 197 Q 5.0654 8.4314 122.3571 56.4846 30.8749 171.7930 198 W 4.2230 7.3518 129.5122 58.1789 28.5091 176.5969 199 K 4.2175 7.9302 122.1116 59.1162 30.9955 177.2813 200 T 4.8362 7.4264 112.5720 60.5313 71.1215 171.9580 201 D 4.6924 8.4819 124.2583 53.1814 44.6377 174.5592 202 S 4.5965 8.8487 117.5135 59.3687 63.3112 173.3380 203 C 4.7171 8.9986 120.4426 56.3666 45.2544 173.0316 204 Q 4.0369 7.7977 120.9315 58.6513 26.4924 178.5334 205 G 3.9700 9.1001 112.0039 45.3614 0.0000 172.9473 206 D 4.7593 8.7656 119.3065 55.2317 41.9767 176.3324 207 S 4.2787 7.6447 115.3340 58.1823 63.9375 176.2517 208 G 4.0898 7.8512 110.8884 46.1677 0.0000 174.7391 209 G 4.0186 7.9980 107.9172 45.4778 0.0000 171.4437 210 P 4.7917 0.0000 0.0000 62.5936 32.8139 175.0367 211 L 4.7273 9.2182 124.2385 53.9807 43.2143 175.8926 212 V 4.6484 8.3525 117.2425 59.7072 34.2906 174.2392 213 C 5.2415 8.5664 121.7723 54.9311 44.1631 173.6212 214 S 4.5047 8.6520 118.6814 58.2726 63.1629 173.9250 215 L 4.4717 8.3655 125.2905 53.8432 44.5352 177.1935 216 Q 3.3650 9.8505 125.2875 56.8532 26.2205 173.9042 217 G 4.2969 8.0618 108.9359 45.7422 0.0000 173.5904 218 R 4.1822 7.5001 119.4287 55.3570 30.7856 175.5433 219 M 4.4216 8.4918 123.4708 55.4370 33.3599 175.4766 220 T 4.6352 8.2027 113.3562 59.7733 72.6892 173.5069 221 L 4.0939 8.5901 127.7381 54.7923 39.8337 176.3737 222 T 4.0540 8.6098 119.7053 65.6648 69.6082 174.1121 223 G 5.1168 7.8616 105.8522 45.8812 0.0000 170.6696 224 I 5.2212 8.2634 119.3760 58.8801 40.9365 175.4448 225 V 3.5334 9.7434 127.1902 64.4915 31.9130 175.2087 226 S 4.5401 8.0664 120.4371 58.5277 65.1039 173.1407 227 W 4.4950 6.8469 113.9989 55.7306 31.5714 172.6393 228 G 4.1397 8.4916 106.9746 46.2966 0.0000 172.5301 229 R 4.4746 8.9554 121.7289 55.5334 31.1314 178.0541 230 G 4.0231 8.7377 114.6833 45.7640 0.0000 172.6045 231 C 4.8669 7.8814 112.8716 56.2027 39.2424 173.9837 232 A 4.9293 8.8728 122.8756 52.1944 16.7307 176.9850 233 L 4.4124 7.1376 118.2370 54.7733 42.6299 176.6728 234 K 3.5382 7.8445 124.0368 57.4328 32.5102 176.8280 235 D 3.3700 8.1195 123.8407 54.1610 38.7028 173.9449 236 K 4.2545 6.9508 119.7116 53.5144 30.9976 173.9770 237 P 4.3414 0.0000 0.0000 62.2436 32.9086 176.1290 238 G 3.7921 8.6434 108.6473 45.8575 0.0000 172.9830 239 V 4.7401 8.2539 123.6922 60.9590 34.3564 174.0333 240 Y 4.9237 8.3750 122.8097 56.1386 42.3873 174.5619 241 T 4.0567 8.8723 120.7540 63.8753 69.3097 174.1676 242 R 4.4231 8.7550 128.3399 55.8929 29.0357 176.4465 243 V 3.8105 9.0227 126.6488 65.7314 31.5085 177.4098 244 S 4.2085 8.2680 113.5662 61.5472 62.3548 175.1554 245 H 4.5913 7.7297 116.2217 55.8703 28.9113 176.0486 246 F 4.8054 8.0626 119.4366 56.9865 39.4985 176.9479 247 L 4.0521 7.7125 121.3261 57.8518 41.2445 177.8133 248 P 4.3313 0.0000 0.0000 65.0808 31.3587 178.4718 249 W 4.2266 8.3411 127.6762 60.1795 30.6392 178.3057 250 I 3.4583 7.7515 119.3701 64.2942 36.3560 177.9891 251 R 3.7444 7.5933 118.5845 59.7348 29.4856 179.0112 252 S 3.9415 7.5706 110.9717 60.9694 62.1028 175.1591 253 H 4.0009 6.9347 115.7993 56.9607 29.2874 176.8921 254 T 2.5085 7.7126 114.9037 63.6686 67.0386 175.5446 255 K 4.4300 7.3660 118.1665 56.2662 33.5384 176.8754 256 E 4.6028 7.8884 112.8733 56.7564 29.5275 177.8073 257 E 4.1693 9.1288 129.4962 58.9505 30.8197 175.8980 *258 N 4.5415 8.0190 119.1765 52.4224 38.3676 177.0757 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 C 7.74 4.80 0.00 3.21 3.31 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 2 G 9.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 7.53 4.39 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.77 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 4 K 8.48 4.37 0.00 1.87 1.73 0.00 1.63 0.00 0.00 2.20 0.00 0.00 3.13 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.61 1.52 7.81 5 T 8.10 4.12 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 1.23 0.00 0.00 6 L 8.09 4.50 0.00 1.66 1.70 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.96 4.78 0.00 1.72 1.87 0.00 3.28 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 8 P 0.00 4.54 0.00 2.04 1.88 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 *10 I 8.14 4.71 1.79 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 1.41 0.89 0.87 0.00 0.00 11 I 8.98 3.83 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.78 0.98 0.00 0.00 12 G 6.90 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 0.00 0.00 0.00 13 G 7.31 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 14 E 8.06 4.87 0.00 1.84 1.80 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 2.21 2.30 0.00 15 F 8.84 4.75 0.00 2.89 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 16 T 8.39 4.44 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 17 T 7.74 4.68 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 1.20 0.00 0.00 18 I 8.06 3.65 1.85 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 1.55 1.38 1.00 0.00 0.00 19 E 8.18 3.93 0.00 1.90 1.98 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0.00 0.00 36 V 8.57 5.37 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 1.08 0.00 0.00 0.97 0.00 0.00 37 T 8.51 4.84 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 38 Y 8.81 3.78 0.00 2.77 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 39 V 8.49 4.00 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 0.74 0.00 0.00 1.04 0.00 0.00 40 C 6.92 4.36 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 41 G 8.53 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 42 G 7.29 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.39 5.69 0.00 3.81 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.75 4.74 0.00 2.01 1.67 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0.00 0.00 61 P 0.00 4.33 0.00 2.23 2.23 0.00 3.82 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 2.04 1.97 0.00 62 K 7.70 4.15 0.00 1.64 1.85 0.00 1.99 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.63 1.57 7.81 63 K 8.17 3.83 0.00 1.86 1.74 0.00 1.79 0.00 0.00 1.96 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.67 1.51 7.81 64 E 8.14 4.13 0.00 2.01 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 2.44 0.00 65 D 8.21 4.62 0.00 2.95 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 0.00 0.00 0.00 66 Y 7.96 5.27 0.00 2.93 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 67 I 8.70 5.03 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 1.27 1.64 0.76 0.00 0.00 68 V 8.41 4.99 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 0.91 0.00 0.00 1.11 0.00 0.00 69 Y 9.16 5.10 0.00 3.27 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 70 L 9.35 4.96 0.00 2.16 1.80 1.09 0.78 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 71 G 8.77 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 0.00 0.00 0.00 72 R 7.88 4.90 0.00 1.97 2.13 0.00 3.00 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.88 0.00 73 S 9.27 4.87 0.00 3.81 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 74 R 7.89 5.20 0.00 2.01 2.06 0.00 2.96 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 75 L 9.12 3.38 0.00 0.83 1.43 -0.15 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 76 N 7.64 4.84 0.00 2.95 2.83 0.00 0.00 6.80 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.48 4.70 0.00 3.88 3.77 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 78 N 8.38 4.74 0.00 2.67 2.76 0.00 0.00 7.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.24 4.52 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 1.23 0.00 0.00 80 Q 8.47 4.15 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.39 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 81 G 9.22 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 82 E 8.08 4.58 0.00 2.21 2.32 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 2.50 2.19 0.00 83 M 9.32 4.66 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.30 0.00 84 K 8.07 4.51 0.00 1.17 1.31 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.72 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.01 0.76 7.81 85 F 8.44 5.07 0.00 2.88 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 86 E 9.56 4.79 0.00 1.86 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 2.39 0.00 87 V 7.51 5.16 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 1.26 0.00 0.00 0.96 0.00 0.00 88 E 8.23 4.14 0.00 1.77 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 2.27 2.22 0.00 89 N 8.17 4.75 0.00 2.64 2.46 0.00 0.00 6.51 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 90 L 8.61 4.80 0.00 1.45 1.44 0.11 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 91 I 9.09 4.56 1.89 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.20 1.09 0.00 0.00 92 L 8.53 4.87 0.00 1.61 1.62 0.97 1.16 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 93 H 8.33 4.27 0.00 2.84 3.11 0.00 5.61 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 9.14 3.97 0.00 2.02 2.11 0.00 1.74 0.00 0.00 1.87 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.69 1.68 7.81 95 D 8.36 4.60 0.00 2.63 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 96 Y 7.60 4.41 0.00 2.97 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 97 S 7.54 4.48 0.00 3.69 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 98 A 7.75 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 8.09 4.77 0.00 2.48 2.33 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 0.00 100 T 8.36 3.91 4.16 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 1.12 0.00 0.00 101 L 7.02 4.25 0.00 1.30 1.02 0.84 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 102 A 6.53 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 H 7.27 4.62 0.00 3.12 3.12 0.00 5.71 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 7.92 4.77 0.00 3.00 3.13 0.00 5.76 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 0.00 105 N 8.54 4.04 0.00 2.75 2.40 0.00 0.00 6.82 8.06 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 0.00 106 D 7.60 5.28 0.00 2.83 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 0.00 107 I 7.40 4.47 0.93 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.55 -0.02 0.00 0.00 108 A 9.21 5.21 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 0.00 109 L 8.81 5.38 0.00 1.50 1.66 0.25 0.78 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 0.00 110 L 9.66 5.16 0.00 1.47 1.40 0.86 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 111 K 8.95 3.71 0.00 0.79 1.03 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.77 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.83 0.73 7.81 112 I 7.71 4.87 1.47 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.36 0.81 0.00 0.00 113 R 8.67 4.84 0.00 1.70 1.80 0.00 3.08 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 114 S 9.36 4.57 0.00 4.13 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 0.00 115 K 8.50 3.91 0.00 1.65 1.82 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.44 7.81 116 E 7.89 4.33 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 2.23 2.34 0.00 117 G 7.66 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.03 4.63 0.00 2.03 2.07 0.00 3.01 0.00 0.00 3.40 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 119 C 8.48 4.37 0.00 2.83 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 0.00 120 A 9.00 4.97 1.04 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 0.00 121 Q 8.72 4.69 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.06 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 122 P 0.00 5.35 0.00 2.21 2.16 0.00 3.13 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 123 S 7.96 4.86 0.00 3.93 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 R 8.79 4.12 0.00 1.78 1.96 0.00 3.16 0.00 0.00 2.56 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 125 T 7.91 4.60 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 1.21 0.00 0.00 126 I 7.55 4.96 1.96 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.89 1.04 0.00 0.00 127 Q 8.96 5.10 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.93 0.00 0.00 0.00 0.00 0.00 2.67 2.58 0.00 128 T 8.70 4.95 4.40 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 1.33 0.00 0.00 129 I 7.91 4.26 1.41 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.46 -0.77 0.00 0.00 130 C 8.01 4.73 0.00 2.76 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 0.00 131 L 8.70 4.29 0.00 1.51 1.65 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.75 0.00 1.94 2.01 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 133 S 8.29 4.83 0.00 3.99 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 0.00 134 M 8.32 4.14 0.00 1.83 2.17 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 2.60 2.49 0.00 135 Y 8.25 3.78 0.00 3.12 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 N 7.44 4.60 0.00 2.70 2.81 0.00 0.00 7.19 8.35 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 0.00 137 D 8.21 4.96 0.00 2.70 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 0.00 138 P 0.00 4.46 0.00 2.16 2.06 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 139 Q 8.10 4.46 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 7.15 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 140 F 8.18 4.47 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 0.00 141 G 9.20 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 T 7.47 3.82 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 143 S 8.74 4.72 0.00 3.75 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 0.00 144 C 9.72 5.18 0.00 2.67 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.95 5.40 0.00 2.11 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 2.37 2.31 0.00 146 I 9.33 4.84 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.90 0.96 0.00 0.00 147 T 7.89 4.95 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 148 G 7.73 4.58 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 0.00 0.00 0.00 149 F 8.99 5.02 0.00 2.44 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 0.00 0.00 0.00 0.00 150 G 7.88 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 0.00 0.00 0.00 151 K 8.72 4.19 0.00 1.99 1.96 0.00 1.88 0.00 0.00 2.22 0.00 0.00 3.18 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.68 1.95 7.81 152 E 8.85 4.76 0.00 2.14 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 2.20 2.28 0.00 153 N 8.15 5.13 0.00 2.80 2.61 0.00 0.00 6.76 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 S 8.94 4.24 0.00 4.07 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 T 8.77 4.68 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 1.25 0.00 0.00 156 D 7.61 4.84 0.00 2.57 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 Y 7.67 4.44 0.00 3.02 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 0.00 158 L 7.29 4.66 0.00 1.48 1.60 1.11 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 159 Y 8.17 4.88 0.00 2.89 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 0.00 160 P 0.00 4.56 0.00 2.45 2.61 0.00 3.94 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 161 E 8.92 4.09 0.00 1.98 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 2.58 0.00 162 Q 8.06 4.72 0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 163 L 9.50 3.77 0.00 1.60 1.38 -0.83 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 164 K 8.15 4.97 0.00 1.61 1.37 0.00 1.20 0.00 0.00 1.59 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.96 0.35 7.81 165 M 8.68 5.65 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.26 0.00 166 T 8.18 4.77 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 1.21 0.00 0.00 167 V 8.29 5.04 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 0.81 0.00 0.00 0.99 0.00 0.00 168 V 9.53 4.74 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 0.71 0.00 0.00 0.94 0.00 0.00 169 K 8.38 5.11 0.00 2.13 1.92 0.00 1.54 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.41 7.81 170 L 8.32 4.40 0.00 1.65 1.77 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 171 I 8.58 4.94 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.76 0.87 0.00 0.00 172 S 8.24 4.02 0.00 3.45 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 H 9.31 4.07 0.00 3.21 3.34 0.00 5.90 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 R 6.97 3.32 0.00 1.78 1.55 0.00 3.17 0.00 0.00 3.17 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 175 E 8.27 3.83 0.00 1.72 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 176 C 7.84 4.29 0.00 3.06 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 Q 7.62 5.23 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.06 0.00 178 Q 7.26 4.33 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.11 0.00 179 P 0.00 4.34 0.00 2.04 2.16 0.00 3.69 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 1.83 1.93 0.00 180 H 8.01 4.63 0.00 3.28 3.50 0.00 5.71 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 Y 7.54 4.94 0.00 2.88 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 Y 8.32 5.11 0.00 3.35 3.05 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 0.00 183 G 7.82 4.73 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 0.00 0.00 0.00 184 S 8.71 4.51 0.00 4.01 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 0.00 185 E 8.64 4.07 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 186 V 7.94 4.09 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 0.99 0.00 0.00 1.26 0.00 0.00 187 T 8.39 4.58 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 1.27 0.00 0.00 188 T 8.32 4.11 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 1.06 0.00 0.00 189 K 7.91 4.55 0.00 1.86 2.02 0.00 1.33 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.66 7.81 190 M 7.71 5.22 0.00 2.05 2.29 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.70 0.00 191 L 9.34 4.90 0.00 1.64 1.59 0.93 1.19 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 0.00 192 C 8.83 5.35 0.00 2.89 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 0.00 193 A 9.06 5.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 A 8.46 4.97 1.14 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 0.00 0.00 195 D 8.17 4.68 0.00 2.94 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 0.00 196 P 0.00 4.30 0.00 2.12 2.16 0.00 3.89 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 197 Q 8.43 5.07 0.00 2.13 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 5.66 0.00 0.00 0.00 0.00 0.00 1.76 1.16 0.00 198 W 7.35 4.22 0.00 3.59 3.29 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 0.00 199 K 7.93 4.22 0.00 1.81 1.93 0.00 1.97 0.00 0.00 1.60 0.00 0.00 2.66 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.40 7.81 200 T 7.43 4.84 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 1.25 0.00 0.00 201 D 8.48 4.69 0.00 2.73 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.85 4.60 0.00 3.99 3.72 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 0.00 203 C 9.00 4.72 0.00 3.06 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 Q 7.80 4.04 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.46 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 205 G 9.10 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 0.00 206 D 8.77 4.76 0.00 2.88 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 S 7.64 4.28 0.00 3.84 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 0.00 208 G 7.85 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 G 8.00 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 0.00 210 P 0.00 4.79 0.00 2.27 2.31 0.00 3.88 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 211 L 9.22 4.73 0.00 1.75 1.51 0.55 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 212 V 8.35 4.65 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 0.46 0.00 0.00 1.20 0.00 0.00 213 C 8.57 5.24 0.00 2.81 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 214 S 8.65 4.50 0.00 3.74 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 0.00 215 L 8.37 4.47 0.00 1.56 1.51 0.90 0.90 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 0.00 216 Q 9.85 3.36 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.80 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 217 G 8.06 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 0.00 218 R 7.50 4.18 0.00 1.87 1.82 0.00 3.17 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 219 M 8.49 4.42 0.00 1.62 1.90 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 2.73 2.47 0.00 220 T 8.20 4.64 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 1.21 0.00 0.00 221 L 8.59 4.09 0.00 1.54 1.60 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 222 T 8.61 4.05 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 1.24 0.00 0.00 223 G 7.86 5.12 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 0.00 0.00 0.00 224 I 8.26 5.22 1.88 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 1.26 0.81 0.99 0.00 0.00 225 V 9.74 3.53 2.31 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 0.84 0.00 0.00 1.18 0.00 0.00 226 S 8.07 4.54 0.00 4.00 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 0.00 227 W 6.85 4.49 0.00 3.27 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 0.00 228 G 8.49 4.14 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 0.00 0.00 0.00 229 R 8.96 4.47 0.00 1.90 2.06 0.00 3.52 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 230 G 8.74 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 0.00 231 C 7.88 4.87 0.00 2.97 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 A 8.87 4.93 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 0.00 0.00 0.00 0.00 0.00 0.00 233 L 7.14 4.41 0.00 1.49 1.51 0.95 0.66 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 0.00 234 K 7.84 3.54 0.00 0.79 1.01 0.00 1.26 0.00 0.00 1.50 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.97 0.75 7.81 235 D 8.12 3.37 0.00 2.55 2.38 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 0.00 236 K 6.95 4.25 0.00 1.73 1.93 0.00 2.32 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.30 1.58 7.81 237 P 0.00 4.34 0.00 1.78 1.94 0.00 2.63 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.87 0.00 238 G 8.64 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 0.00 239 V 8.25 4.74 0.67 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 0.75 0.00 0.00 -0.16 0.00 0.00 240 Y 8.38 4.92 0.00 3.09 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 0.00 241 T 8.87 4.06 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 0.89 0.00 0.00 242 R 8.75 4.42 0.00 1.99 2.10 0.00 3.47 0.00 0.00 3.16 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 243 V 9.02 3.81 2.34 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 1.07 0.00 0.00 1.05 0.00 0.00 244 S 8.27 4.21 0.00 4.00 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 0.00 245 H 7.73 4.59 0.00 2.97 3.01 0.00 5.62 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 246 F 8.06 4.81 0.00 3.20 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 0.00 247 L 7.71 4.05 0.00 1.64 1.76 0.96 1.18 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 0.00 248 P 0.00 4.33 0.00 2.21 2.12 0.00 3.57 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 2.11 2.15 0.00 249 W 8.34 4.23 0.00 3.57 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 0.00 250 I 7.75 3.46 1.83 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.85 0.67 0.00 0.00 251 R 7.59 3.74 0.00 1.77 1.94 0.00 3.26 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 252 S 7.57 3.94 0.00 3.91 3.55 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 0.00 253 H 6.93 4.00 0.00 2.35 2.81 0.00 5.71 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 254 T 7.71 2.51 3.64 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 1.05 0.00 0.00 255 K 7.37 4.43 0.00 1.71 1.81 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 256 E 7.89 4.60 0.00 1.70 1.12 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 2.21 2.22 0.00 257 E 9.13 4.17 0.00 1.88 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 2.21 2.24 0.00 *258 N 8.02 4.54 0.00 2.49 2.63 0.00 0.00 6.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.