NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4135 8.3349 115.4061 57.8321 64.3608 173.2487 4 R 4.0817 8.2137 121.1334 55.7845 31.0996 174.6026 5 I 4.1624 9.1472 125.0384 60.0654 39.0499 173.4729 6 P 4.8937 0.0000 0.0000 62.6617 32.6262 175.5203 7 V 5.0378 8.8867 123.4043 61.0851 35.4459 174.1104 8 V 4.9720 8.8096 126.3375 61.1502 34.5551 173.8933 9 L 5.2271 9.2230 128.0627 53.0843 44.0173 174.9698 10 L 5.1552 8.8677 125.8678 53.2269 44.5882 174.6124 11 A 5.1753 9.4104 128.7352 49.7958 21.1307 174.7104 12 C 5.1854 8.1102 120.3362 57.7575 30.4031 173.6678 13 G 3.4156 8.0469 107.9994 46.5123 0.0000 174.2024 14 S 4.0405 8.5416 115.3104 60.9047 63.5666 175.1557 15 F 3.7374 7.1828 116.7896 59.0721 36.2611 175.4833 16 N 5.3511 7.6845 117.9784 51.2824 38.9862 170.6023 17 P 5.1887 0.0000 0.0000 59.8807 34.0370 176.0269 18 I 4.1312 8.2414 118.7318 61.4467 38.5918 174.9715 19 T 4.8157 8.4257 115.5137 59.3035 73.2828 174.6454 20 N 4.4567 8.9104 118.0186 56.4423 38.3266 177.8630 21 M 4.1066 7.9656 120.0076 58.6547 31.9461 178.1119 22 H 4.3870 7.7553 114.7313 58.9747 29.3576 177.6116 23 L 4.2590 7.9645 120.1805 57.9401 41.5339 179.3349 24 R 3.9935 8.5432 119.0810 59.7273 29.8984 177.8259 25 M 4.0133 8.2291 117.9080 58.9145 32.0576 178.2533 26 F 4.1649 8.3286 117.1791 60.7073 39.1326 177.4901 27 E 4.2917 8.5340 117.7247 59.5522 29.2869 179.5085 28 V 3.6235 8.1383 118.0246 65.8798 31.5427 177.9033 29 A 3.9686 8.1336 120.5507 55.1226 18.1486 179.5755 30 R 3.6230 8.3295 117.3220 59.6755 30.1509 178.4000 31 D 4.2710 8.0742 118.6344 57.5549 40.6662 178.3514 32 H 4.1219 8.4396 118.7479 59.3804 29.7072 177.3602 33 L 3.9463 7.9069 119.6087 58.1452 41.6139 178.9964 34 H 4.6042 8.5252 116.5252 58.8007 28.3812 177.5559 35 Q 3.9686 7.9833 121.0393 59.2780 28.9304 178.2315 36 T 3.9998 7.5292 110.0441 62.8037 68.8196 175.7448 37 G 3.9653 8.1529 109.0392 45.9193 0.0000 173.8968 38 M 4.1925 7.8011 118.3278 56.0763 33.2200 175.3779 39 Y 5.2665 7.8994 114.5239 56.0566 42.7309 174.9946 40 Q 4.3426 9.1198 121.6493 54.1706 31.8762 174.3503 41 V 4.3920 8.8051 127.8479 63.0205 31.5124 175.4562 42 I 4.4505 8.9269 121.5287 61.4874 39.3242 175.3921 43 Q 5.1145 8.0679 122.2994 55.1677 32.5376 172.7879 44 G 4.4831 9.3558 111.8754 44.4468 0.0000 171.8984 45 I 5.0556 9.3562 123.7439 59.3703 41.0421 174.3705 46 I 4.5137 8.5975 129.0786 60.1035 38.2834 174.8670 47 S 4.9693 9.0812 123.0501 55.4511 63.7937 170.9235 48 P 5.1809 0.0000 0.0000 62.2376 31.8153 176.8891 49 V 4.0794 8.5486 123.8216 61.3557 31.8622 175.7438 50 N 4.5467 8.7782 120.2209 53.7812 39.4420 175.4536 51 D 4.6240 8.5783 121.3933 56.2051 41.1563 177.4517 52 T 4.2631 8.5826 108.9372 62.1916 69.5552 174.7548 53 Y 3.8042 7.6415 123.7515 58.5321 39.2869 177.1895 54 G 3.2248 7.1854 115.4271 45.2491 0.0000 172.8558 55 K 4.5049 7.8731 114.9106 55.7860 32.2377 176.6440 56 K 4.5323 7.3720 116.0280 54.6834 36.0660 177.1065 57 D 4.6210 8.5306 122.3985 53.3651 39.8361 175.9942 58 L 4.5918 8.0129 123.3944 52.7238 43.3786 177.0941 59 A 4.0681 8.5338 124.2186 51.7150 19.1707 177.7078 60 A 4.0953 8.5631 122.9238 52.5051 19.1457 178.9376 61 S 4.1910 9.4064 118.1345 62.1945 62.7938 177.0914 62 H 4.1569 8.2105 117.9238 58.5424 28.0679 177.2778 63 H 4.2146 7.8178 119.0201 58.8498 28.5955 177.9521 64 R 3.9329 7.9173 119.4319 59.0782 29.8500 179.1633 65 V 3.5043 8.1413 118.2972 65.9070 31.4877 177.9762 66 A 3.8143 7.8518 120.5030 55.3450 18.1377 179.5821 67 M 3.6619 7.9302 117.2222 58.2178 32.0011 178.8499 68 A 3.8621 7.9220 120.9823 54.9220 18.2860 179.5766 69 R 3.6954 7.8388 116.4413 59.5719 30.5959 178.3596 70 L 4.0533 7.9533 118.5657 57.8456 41.4077 179.3410 71 A 4.0065 8.1606 119.7738 54.7395 18.5121 178.6976 72 L 4.2164 7.6641 115.1236 55.0354 41.7319 178.5522 73 Q 4.0211 7.5862 119.2769 58.7807 28.6952 177.3973 74 T 4.3142 7.5596 106.8390 61.4503 69.3168 173.8751 75 S 4.6299 7.9736 117.9514 57.1969 63.4527 173.4004 76 D 4.8522 8.7580 125.6037 53.1790 39.9367 176.4299 77 W 5.2285 7.6801 114.7912 55.8204 30.5562 174.2632 78 I 4.4301 7.2090 122.1051 59.2861 38.2897 175.2308 79 R 4.6626 8.7196 122.7101 54.2390 33.2742 174.3291 80 V 4.4605 8.1003 119.4317 60.5556 33.3592 174.7874 81 D 4.9569 8.7827 123.2929 51.6880 43.0617 174.3124 82 P 4.5299 0.0000 0.0000 63.2398 31.5398 177.3294 83 W 4.2505 8.9913 129.1828 61.0855 30.8770 176.6332 84 E 3.6155 8.6139 118.3800 59.4468 28.9119 179.0932 85 S 4.2280 7.9750 111.6113 60.7760 63.1607 174.3559 86 E 4.2872 7.5955 120.5345 56.2997 29.2963 176.2931 87 Q 4.0300 7.2102 118.0673 54.4541 29.8301 175.8537 88 A 4.0243 8.4630 123.4503 54.8300 18.4637 177.3042 89 Q 4.6359 7.3915 113.2977 53.3726 32.6602 174.0481 90 W 4.3587 8.3831 130.2342 57.6234 31.2110 175.0480 91 M 4.1442 6.7958 122.0918 52.6753 35.1602 175.5161 92 E 3.2213 7.5051 121.6295 56.2547 30.5650 178.2417 93 T 3.8956 8.4547 118.8081 66.8525 68.5361 177.2578 94 V 3.6516 7.8337 120.4714 64.7365 31.2026 178.4379 95 K 4.0519 7.9432 119.1942 58.9965 31.8531 179.5084 96 V 3.7725 7.5692 118.3864 65.8514 31.4833 177.8727 97 L 3.7066 7.9041 118.7852 57.6438 41.2391 179.6489 98 R 4.0506 7.8189 117.8697 59.5470 30.1206 178.2582 99 H 3.6947 8.1237 117.9242 59.8525 29.7936 177.0323 100 H 3.9473 8.0583 117.4295 58.5450 28.3555 177.5049 101 H 4.2112 8.3698 120.8241 59.3329 29.6975 177.2761 102 S 4.0169 8.1603 117.1818 61.6911 62.4570 176.8129 103 K 3.7653 7.3962 119.3802 59.6216 31.8487 179.0259 104 L 4.0958 7.4841 117.4472 57.6971 41.5415 179.2055 105 L 4.0349 7.4389 117.7839 55.3933 41.6847 178.6507 106 R 4.0625 7.8208 122.2462 56.9929 29.7208 176.9801 *127 V 3.8592 7.4541 114.4889 61.9214 32.3783 173.0060 128 P 4.7550 0.0000 0.0000 62.5274 32.4902 175.4207 129 E 4.5282 9.5825 122.9748 55.5865 31.1221 175.0499 130 L 5.0686 8.7082 126.4291 53.6897 43.6659 175.5501 131 K 4.9358 8.8104 124.9707 54.3556 36.2687 175.1575 132 L 4.5984 9.0613 126.6302 54.7844 43.1244 175.0214 133 L 5.1810 9.1429 128.9774 53.5137 44.2669 174.8398 134 C 4.5607 8.7746 119.8138 57.2299 33.7888 173.5727 135 G 4.0759 8.5059 107.9353 44.3721 0.0000 174.5967 136 A 3.9731 8.6936 122.5380 55.1487 18.0584 179.8786 137 D 4.1086 7.9445 117.0724 56.6729 39.1330 179.0237 138 V 3.4846 7.7678 119.4908 65.7566 31.3407 177.9143 139 L 2.7952 7.4287 118.4717 57.3167 41.3823 179.4761 140 K 3.1296 7.3436 119.5688 59.0760 32.0197 178.8269 141 T 4.1140 7.5893 109.6860 64.0944 68.5128 176.4649 142 F 4.2886 7.2571 120.5084 60.3756 38.9009 176.6745 143 Q 4.3266 7.8188 115.8934 56.3189 29.1550 176.3799 144 T 4.0433 7.7455 119.0425 62.4229 68.9587 172.1058 145 P 4.3307 0.0000 0.0000 64.5369 31.6391 175.8143 146 N 4.2621 8.9848 117.9529 53.8936 36.5816 174.9638 147 L 4.1169 8.2969 121.4223 56.9346 42.4013 177.2331 148 W 4.9673 7.9771 116.4138 54.3051 32.3561 175.2205 149 K 4.1980 8.6932 122.7883 56.2031 32.3980 177.5401 150 D 4.3692 9.0665 123.3281 57.7764 40.6623 179.1286 151 A 4.0064 7.9987 120.4402 55.4461 18.3209 179.3079 152 H 4.3147 8.3701 114.9088 59.0307 28.9572 178.0188 153 I 3.2996 7.6687 121.2023 64.1325 36.8310 178.0670 154 Q 3.8659 8.2257 120.5149 59.2170 28.8575 177.9042 155 E 3.8829 8.3819 120.4214 59.2653 29.1886 178.7228 156 I 3.9689 8.0366 119.9245 64.5513 37.0625 178.3725 157 V 3.9758 7.4898 109.9787 62.3248 31.7569 177.4354 158 E 4.1805 8.0267 118.7873 58.0388 30.1564 176.9070 159 K 3.9371 7.8605 118.8234 58.4460 33.7929 177.4307 160 F 4.7765 7.1549 111.0945 56.7675 40.4266 179.2642 161 G 4.1352 7.5995 115.8762 46.8457 0.0000 170.8679 162 L 5.2933 8.6829 122.0129 53.1493 45.6904 175.0275 163 V 4.8083 8.9723 126.6607 61.2803 34.0800 173.4814 164 C 5.2858 9.3239 128.8949 57.5875 34.1135 172.3504 165 V 4.6891 8.5147 126.5332 60.9689 32.9445 175.5074 166 G 4.0904 8.5014 115.3214 46.7640 0.0000 173.0754 167 R 4.7842 8.2626 119.0285 53.6899 34.3398 175.0809 168 V 3.6624 7.9487 123.0421 65.6398 31.7608 177.1610 *169 S 4.4240 9.1370 121.9449 58.0577 60.0662 165.6773 170 H 5.0204 7.7798 115.6826 55.0484 31.6132 173.6213 171 D 4.5942 7.4124 122.2364 50.6667 41.0487 173.9431 172 P 4.0778 0.0000 0.0000 65.1348 31.5785 177.6848 173 K 3.9816 7.9475 116.6447 59.5261 31.9159 179.4661 174 G 3.5504 7.8762 105.8124 47.7944 0.0000 175.4007 175 Y 4.4201 7.4855 118.2517 61.0162 38.1799 178.5920 176 I 3.8976 8.1931 120.6521 64.5368 37.0965 178.3250 177 A 4.0575 7.9402 120.0694 55.0150 18.2689 178.6667 178 E 4.4016 8.3172 114.4950 55.9318 30.2294 176.2286 179 S 4.6338 7.5902 116.0740 56.0054 62.9567 172.9331 180 P 4.3456 0.0000 0.0000 65.5291 30.9936 178.1141 181 I 4.0659 7.6036 119.2414 63.8922 37.4964 177.8089 182 L 4.0776 7.9971 120.0027 57.8340 41.3087 179.8326 183 R 3.9624 7.9505 114.4308 59.0239 29.3403 177.8366 184 M 4.3624 7.5844 117.3498 56.0641 32.4184 175.8903 185 H 5.0469 8.2929 117.2467 55.3853 30.5116 175.6218 186 Q 4.0286 8.3809 121.1447 59.1049 28.7513 178.6514 187 H 4.1547 8.3097 116.5493 58.5405 30.1655 175.2640 188 N 4.9002 8.5305 115.4134 52.8037 38.6782 173.6325 189 I 4.9691 7.4024 119.7145 59.7204 39.8950 174.7597 190 H 4.8234 9.4030 123.7982 53.9933 31.8205 172.6275 191 L 4.8852 8.6591 123.7984 53.2993 42.9432 175.8224 192 A 4.3631 8.8712 127.4619 50.0134 20.7654 175.9734 193 K 4.3927 8.6126 122.5106 56.0417 33.5071 177.0747 194 E 4.3975 8.5904 125.3649 53.7513 28.9214 173.9186 195 P 4.3430 0.0000 0.0000 64.1834 31.6904 176.7594 196 V 4.1617 7.4043 118.6807 61.2415 33.2718 174.9110 197 Q 4.4391 8.3705 124.8327 54.8352 28.6722 174.8348 198 N 4.9572 8.3288 123.2690 51.0184 39.0918 174.0924 199 E 4.4652 8.0609 122.6744 53.6737 29.1437 173.1356 200 I 4.3233 7.5504 113.2515 58.5302 39.6578 176.7027 201 S 4.4162 8.5358 119.9173 57.3910 63.9837 174.5839 202 A 4.0317 8.6179 130.4721 55.3714 18.2365 179.8734 203 T 3.7654 7.8594 114.2263 66.8654 68.5472 176.0445 204 Y 4.0384 8.2538 121.7204 60.5771 38.7788 177.7715 205 I 3.3965 7.8121 120.7652 64.5925 37.2075 178.5100 206 R 3.5045 7.7930 118.5705 59.1025 29.9255 179.1954 207 R 3.7640 7.8803 118.1799 59.1707 30.0286 178.3546 208 A 3.7752 7.7666 120.9401 55.0854 18.3033 179.4962 209 L 3.9751 7.9227 117.6968 58.0462 41.5233 180.1622 210 G 3.6953 8.1125 104.1490 46.9312 0.0000 174.6729 211 Q 4.4672 7.5896 117.5171 55.0520 29.0213 176.1257 212 G 3.8674 7.8536 107.9957 46.3580 0.0000 173.8533 213 Q 4.5242 7.8069 117.7152 53.7225 30.4179 175.8166 214 S 4.2993 8.3725 114.8619 58.7172 63.2387 174.2281 215 V 4.4745 8.0867 117.5510 60.5914 32.9378 175.3932 216 K 3.9194 7.6867 121.4857 58.0295 32.2181 176.7592 217 Y 3.8805 8.0920 120.5923 58.4672 35.7764 169.7974 218 L 4.6375 8.0168 120.4346 55.0734 43.4882 176.3390 219 I 5.0726 7.2726 109.0952 57.1486 40.9398 173.5792 220 P 4.3298 0.0000 0.0000 62.7793 32.9232 177.0656 221 D 4.3274 8.8503 121.6987 57.8901 40.8481 179.4421 222 A 4.0471 7.9642 120.2769 54.9563 18.2816 179.7609 223 V 3.6192 7.6172 116.6059 66.0949 31.6986 178.0453 224 I 3.7333 7.7932 119.6295 64.7758 36.9386 178.4719 225 T 3.8572 8.0630 116.4089 66.7861 68.2932 175.9624 226 Y 3.9780 8.1182 121.3221 60.7811 38.8095 178.1566 227 I 3.7592 8.2494 120.9601 64.2699 37.2386 178.3124 228 K 3.8531 8.2136 120.2549 59.7480 31.9059 178.3148 229 D 4.2949 8.0689 118.0822 57.3921 40.7799 177.9206 230 H 4.5930 7.8092 113.2522 54.1655 29.0280 175.0827 231 G 3.9569 7.6720 108.3618 46.3628 0.0000 174.3746 232 L 3.9556 7.5750 118.0348 54.9372 42.5925 176.3216 233 Y 3.8067 7.8616 116.2346 59.6210 35.4019 170.5187 234 T 4.2121 8.0074 114.5763 61.8021 69.0565 173.8491 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 S 8.33 4.41 0.00 3.97 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.21 4.08 0.00 1.77 1.75 0.00 3.13 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 5 I 9.15 4.16 1.77 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.52 1.04 0.00 0.00 6 P 0.00 4.89 0.00 2.12 2.01 0.00 3.58 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 7 V 8.89 5.04 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 0.81 0.00 0.00 1.05 0.00 0.00 8 V 8.81 4.97 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 1.05 0.00 0.00 1.00 0.00 0.00 9 L 9.22 5.23 0.00 1.96 1.62 1.18 0.25 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 10 L 8.87 5.16 0.00 1.73 1.49 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 11 A 9.41 5.18 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 12 C 8.11 5.19 0.00 2.98 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.05 3.42 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 0.00 14 S 8.54 4.04 0.00 3.79 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 15 F 7.18 3.74 0.00 3.32 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 7.68 5.35 0.00 2.72 2.75 0.00 0.00 7.25 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 17 P 0.00 5.19 0.00 2.32 2.31 0.00 3.27 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.82 0.00 18 I 8.24 4.13 1.93 0.00 0.00 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 1.50 1.01 0.92 0.00 0.00 19 T 8.43 4.82 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 1.27 0.00 0.00 20 N 8.91 4.46 0.00 2.89 2.96 0.00 0.00 7.47 7.70 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 21 M 7.97 4.11 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.58 0.00 22 H 7.76 4.39 0.00 3.45 3.69 0.00 5.68 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.96 4.26 0.00 1.93 1.73 0.96 0.59 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 24 R 8.54 3.99 0.00 2.02 2.17 0.00 3.24 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 25 M 8.23 4.01 0.00 2.38 2.10 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 2.54 2.41 0.00 26 F 8.33 4.16 0.00 3.34 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 27 E 8.53 4.29 0.00 2.26 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 0.00 2.63 2.47 0.00 28 V 8.14 3.62 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 1.10 0.00 0.00 1.08 0.00 0.00 29 A 8.13 3.97 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 30 R 8.33 3.62 0.00 1.53 1.88 0.00 2.23 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.00 0.00 31 D 8.07 4.27 0.00 2.96 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 H 8.44 4.12 0.00 3.25 3.52 0.00 5.79 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 33 L 7.91 3.95 0.00 1.69 1.64 0.71 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.53 4.60 0.00 3.12 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.98 3.97 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 36 T 7.53 4.00 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 1.22 0.00 0.00 37 G 8.15 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 38 M 7.80 4.19 0.00 1.42 1.71 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 2.65 2.37 0.00 39 Y 7.90 5.27 0.00 2.76 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 40 Q 9.12 4.34 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.00 0.00 0.00 0.00 0.00 0.00 2.23 2.20 0.00 41 V 8.81 4.39 1.75 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 0.74 0.00 0.00 0.82 0.00 0.00 42 I 8.93 4.45 1.93 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 1.39 0.89 0.99 0.00 0.00 43 Q 8.07 5.11 0.00 2.27 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 44 G 9.36 4.48 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 45 I 9.36 5.06 1.85 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 1.19 0.67 0.82 0.00 0.00 46 I 8.60 4.51 1.49 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.27 -0.08 0.00 0.00 47 S 9.08 4.97 0.00 3.90 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 48 P 0.00 5.18 0.00 2.06 2.15 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 49 V 8.55 4.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.79 0.00 0.00 50 N 8.78 4.55 0.00 2.76 2.90 0.00 0.00 7.00 8.49 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 51 D 8.58 4.62 0.00 2.73 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 52 T 8.58 4.26 4.29 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 1.27 0.00 0.00 53 Y 7.64 3.80 0.00 2.92 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 54 G 7.19 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.87 4.50 0.00 1.61 1.69 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.21 1.22 7.81 56 K 7.37 4.53 0.00 1.61 1.64 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.25 1.32 7.81 57 D 8.53 4.62 0.00 2.68 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 58 L 8.01 4.59 0.00 1.66 1.65 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.53 4.07 1.21 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 0.00 0.00 60 A 8.56 4.10 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 61 S 9.41 4.19 0.00 4.08 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 0.00 62 H 8.21 4.16 0.00 3.41 3.58 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 7.82 4.21 0.00 3.34 3.39 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 64 R 7.92 3.93 0.00 2.02 2.17 0.00 3.59 0.00 0.00 3.57 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.76 0.00 65 V 8.14 3.50 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 1.06 0.00 0.00 0.99 0.00 0.00 66 A 7.85 3.81 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 67 M 7.93 3.66 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 68 A 7.92 3.86 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.84 3.70 0.00 1.83 2.00 0.00 3.23 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 70 L 7.95 4.05 0.00 1.78 1.67 0.95 1.12 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 71 A 8.16 4.01 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 72 L 7.66 4.22 0.00 1.53 1.60 0.56 0.38 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 73 Q 7.59 4.02 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 74 T 7.56 4.31 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 75 S 7.97 4.63 0.00 3.60 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.76 4.85 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 77 W 7.68 5.23 0.00 3.46 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.21 4.43 1.07 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.38 0.00 0.00 79 R 8.72 4.66 0.00 1.68 1.85 0.00 2.72 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.46 0.00 80 V 8.10 4.46 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 0.60 0.00 0.00 0.85 0.00 0.00 81 D 8.78 4.96 0.00 2.68 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.53 0.00 2.31 2.27 0.00 3.85 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 2.12 2.03 0.00 83 W 8.99 4.25 0.00 3.30 3.37 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 84 E 8.61 3.62 0.00 2.30 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 2.33 2.30 0.00 85 S 7.98 4.23 0.00 4.07 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 86 E 7.60 4.29 0.00 1.95 1.90 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 2.27 2.37 0.00 87 Q 7.21 4.03 0.00 1.87 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 1.34 1.36 0.00 88 A 8.46 4.02 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 89 Q 7.39 4.64 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 90 W 8.38 4.36 0.00 3.31 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 M 6.80 4.14 0.00 1.71 1.56 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 92 E 7.51 3.22 0.00 1.86 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.06 0.00 93 T 8.45 3.90 4.59 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 0.00 0.00 0.00 1.39 0.00 0.00 94 V 7.83 3.65 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 0.55 0.00 0.00 1.03 0.00 0.00 95 K 7.94 4.05 0.00 1.91 1.92 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.35 7.81 96 V 7.57 3.77 2.25 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 1.31 0.00 0.00 1.14 0.00 0.00 97 L 7.90 3.71 0.00 1.35 0.13 0.74 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 98 R 7.82 4.05 0.00 2.06 2.03 0.00 3.18 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 1.86 1.98 0.00 99 H 8.12 3.69 0.00 2.46 2.87 0.00 5.78 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 0.00 100 H 8.06 3.95 0.00 3.13 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 H 8.37 4.21 0.00 3.55 3.62 0.00 5.80 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 0.00 102 S 8.16 4.02 0.00 3.86 3.80 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 0.00 103 K 7.40 3.77 0.00 1.76 1.77 0.00 1.35 0.00 0.00 1.37 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.22 1.16 7.81 104 L 7.48 4.10 0.00 1.82 1.73 0.98 0.94 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 0.00 105 L 7.44 4.03 0.00 1.72 1.67 0.85 1.31 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 0.00 106 R 7.82 4.06 0.00 1.93 2.06 0.00 3.17 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.81 0.00 *127 V 7.45 3.86 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 0.82 0.00 0.00 0.94 0.00 0.00 128 P 0.00 4.75 0.00 2.04 2.02 0.00 3.75 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 2.06 2.15 0.00 129 E 9.58 4.53 0.00 2.01 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 2.38 2.37 0.00 130 L 8.71 5.07 0.00 1.77 1.79 1.00 0.44 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 0.00 131 K 8.81 4.94 0.00 1.71 1.65 0.00 1.50 0.00 0.00 1.49 0.00 0.00 2.64 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.40 1.38 7.81 132 L 9.06 4.60 0.00 1.76 1.57 1.05 0.50 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 0.00 133 L 9.14 5.18 0.00 1.59 1.39 0.80 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 134 C 8.77 4.56 0.00 2.97 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 0.00 135 G 8.51 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 0.00 0.00 0.00 136 A 8.69 3.97 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 0.00 137 D 7.94 4.11 0.00 2.81 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 0.00 138 V 7.77 3.48 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 0.80 0.00 0.00 0.93 0.00 0.00 139 L 7.43 2.80 0.00 1.95 1.59 0.96 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 140 K 7.34 3.13 0.00 1.14 1.76 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.25 0.99 7.81 141 T 7.59 4.11 4.55 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 1.35 0.00 0.00 142 F 7.26 4.29 0.00 2.87 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 0.00 143 Q 7.82 4.33 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 144 T 7.75 4.04 4.48 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 1.26 0.00 0.00 145 P 0.00 4.33 0.00 2.05 2.05 0.00 3.85 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 146 N 8.98 4.26 0.00 2.88 2.93 0.00 0.00 7.07 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 0.00 147 L 8.30 4.12 0.00 1.74 2.03 0.83 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 148 W 7.98 4.97 0.00 3.19 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 K 8.69 4.20 0.00 1.60 1.65 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.44 7.81 150 D 9.07 4.37 0.00 2.69 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 0.00 151 A 8.00 4.01 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 0.00 152 H 8.37 4.31 0.00 3.51 3.50 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 I 7.67 3.30 1.82 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.90 0.51 0.00 0.00 154 Q 8.23 3.87 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 155 E 8.38 3.88 0.00 2.10 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 2.47 2.30 0.00 156 I 8.04 3.97 1.99 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 1.63 1.02 0.99 0.00 0.00 157 V 7.49 3.98 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 0.76 0.00 0.00 0.96 0.00 0.00 158 E 8.03 4.18 0.00 1.63 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 2.18 2.26 0.00 159 K 7.86 3.94 0.00 1.40 1.34 0.00 1.52 0.00 0.00 1.33 0.00 0.00 2.67 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 0.85 7.81 160 F 7.15 4.78 0.00 3.17 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 0.00 161 G 7.60 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 0.00 162 L 8.68 5.29 0.00 1.77 1.51 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 163 V 8.97 4.81 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 0.84 0.00 0.00 0.85 0.00 0.00 164 C 9.32 5.29 0.00 2.91 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 0.00 165 V 8.51 4.69 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 0.96 0.00 0.00 0.89 0.00 0.00 166 G 8.50 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 0.00 167 R 8.26 4.78 0.00 1.82 1.79 0.00 3.12 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 168 V 7.95 3.66 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 0.70 0.00 0.00 1.03 0.00 0.00 *169 S 9.14 4.42 0.00 3.81 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 0.00 170 H 7.78 5.02 0.00 3.26 3.25 0.00 5.76 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 D 7.41 4.59 0.00 2.51 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 0.00 0.00 0.00 172 P 0.00 4.08 0.00 2.11 2.06 0.00 3.50 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 173 K 7.95 3.98 0.00 1.72 1.82 0.00 1.62 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.46 7.81 174 G 7.88 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 0.00 0.00 0.00 175 Y 7.49 4.42 0.00 3.07 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 0.00 176 I 8.19 3.90 2.04 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 1.50 0.77 0.94 0.00 0.00 177 A 7.94 4.06 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 0.00 178 E 8.32 4.40 0.00 2.07 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 2.35 2.57 0.00 179 S 7.59 4.63 0.00 3.94 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 P 0.00 4.35 0.00 2.27 2.19 0.00 3.84 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 181 I 7.60 4.07 1.88 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 1.66 1.29 0.93 0.00 0.00 182 L 8.00 4.08 0.00 1.77 1.79 1.09 0.83 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 0.00 183 R 7.95 3.96 0.00 1.99 2.29 0.00 3.06 0.00 0.00 3.42 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.68 0.00 184 M 7.58 4.36 0.00 1.78 2.14 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.88 0.00 185 H 8.29 5.05 0.00 3.14 3.24 0.00 5.63 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 Q 8.38 4.03 0.00 2.13 2.17 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 2.47 2.54 0.00 187 H 8.31 4.15 0.00 3.15 3.37 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 0.00 188 N 8.53 4.90 0.00 3.08 2.85 0.00 0.00 6.66 6.75 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 0.00 189 I 7.40 4.97 1.86 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 1.26 0.78 0.91 0.00 0.00 190 H 9.40 4.82 0.00 2.95 3.23 0.00 5.60 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 L 8.66 4.89 0.00 1.48 1.56 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 192 A 8.87 4.36 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 0.00 0.00 0.00 0.00 0.00 193 K 8.61 4.39 0.00 1.65 1.73 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.40 7.81 194 E 8.59 4.40 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.61 0.00 195 P 0.00 4.34 0.00 2.22 2.17 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 2.00 1.96 0.00 196 V 7.40 4.16 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 0.82 0.00 0.00 0.94 0.00 0.00 197 Q 8.37 4.44 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.01 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 198 N 8.33 4.96 0.00 2.71 2.71 0.00 0.00 6.95 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 0.00 199 E 8.06 4.47 0.00 1.87 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 2.19 2.32 0.00 200 I 7.55 4.32 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.83 0.93 0.00 0.00 201 S 8.54 4.42 0.00 3.94 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 0.00 202 A 8.62 4.03 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 T 7.86 3.77 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 1.22 0.00 0.00 204 Y 8.25 4.04 0.00 3.08 3.19 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 0.00 205 I 7.81 3.40 1.92 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 1.81 0.68 0.78 0.00 0.00 206 R 7.79 3.50 0.00 1.82 1.79 0.00 3.04 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.48 0.00 207 R 7.88 3.76 0.00 1.83 1.90 0.00 3.11 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 1.57 1.61 0.00 208 A 7.77 3.78 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 L 7.92 3.98 0.00 1.87 1.78 0.90 0.84 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 0.00 210 G 8.11 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 0.00 211 Q 7.59 4.47 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.35 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 212 G 7.85 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 0.00 0.00 0.00 213 Q 7.81 4.52 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 214 S 8.37 4.30 0.00 3.84 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 0.00 215 V 8.09 4.47 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 0.70 0.00 0.00 0.90 0.00 0.00 216 K 7.69 3.92 0.00 1.51 1.39 0.00 1.65 0.00 0.00 1.32 0.00 0.00 2.82 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.30 1.01 7.81 217 Y 8.09 3.88 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 0.00 218 L 8.02 4.64 0.00 1.91 1.75 1.10 0.49 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 0.00 219 I 7.27 5.07 1.90 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 1.41 0.66 0.93 0.00 0.00 220 P 0.00 4.33 0.00 2.17 2.02 0.00 3.64 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.32 0.00 221 D 8.85 4.33 0.00 2.67 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 A 7.96 4.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 V 7.62 3.62 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 1.22 0.00 0.00 0.95 0.00 0.00 224 I 7.79 3.73 2.03 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 1.51 0.54 0.90 0.00 0.00 225 T 8.06 3.86 4.44 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 0.00 0.00 0.00 1.23 0.00 0.00 226 Y 8.12 3.98 0.00 3.24 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 0.00 227 I 8.25 3.76 2.16 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 1.66 0.73 1.07 0.00 0.00 228 K 8.21 3.85 0.00 1.81 1.93 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.46 7.81 229 D 8.07 4.29 0.00 2.51 2.42 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 0.00 230 H 7.81 4.59 0.00 2.78 3.03 0.00 5.81 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 G 7.67 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 L 7.57 3.96 0.00 1.37 0.67 0.76 0.55 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 0.00 233 Y 7.86 3.81 0.00 3.23 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 0.00 234 T 8.01 4.21 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 1.29 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.