NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3217 8.3049 120.3156 55.0698 33.2650 175.6693 2 E 4.0562 8.4800 121.7918 55.3207 28.5725 175.4231 3 A 4.6317 8.2217 131.6335 51.5497 20.3186 176.9577 4 C 4.7343 7.9852 121.3267 54.4159 44.9768 171.5026 5 P 4.4051 0.0000 0.0000 62.6430 31.5732 175.9672 6 H 4.3567 8.4136 117.6540 56.7950 29.7875 174.9767 7 I 4.1684 8.6758 122.2084 60.0246 38.2798 175.4258 8 R 5.2444 8.7954 127.2096 55.6636 31.5196 175.4305 9 Y 5.5120 8.2647 119.3475 56.0186 41.7587 173.2226 10 A 4.9257 9.3072 121.4880 50.3975 22.9498 174.9344 11 F 5.5004 8.7215 121.8310 57.0133 43.1932 173.9127 12 Q 3.6741 7.8357 126.8794 55.7816 32.2758 172.9921 13 N 4.2778 7.4864 120.9092 53.2192 41.0394 174.0326 14 D 4.7526 8.8316 125.0739 53.9066 40.2489 176.8207 15 K 4.4440 8.4161 119.4615 56.8962 33.3971 175.9820 16 L 5.2482 7.7818 119.9206 52.6632 44.9366 175.7393 17 L 4.4210 8.8526 126.2913 53.7703 43.5100 175.2057 18 L 4.0173 8.4822 129.1896 55.1506 41.8239 176.4627 19 Q 4.1598 8.7823 126.3275 57.3823 29.5774 175.5319 20 Q 4.4894 7.4174 117.0913 53.8149 31.5697 175.1751 *24 G 4.5166 8.4186 105.8676 45.6694 0.0000 172.6188 25 R 4.5528 7.8070 119.5133 54.2882 32.9285 173.8358 26 L 3.9191 8.4362 128.7525 53.9878 43.8584 175.2610 27 T 4.8939 7.7910 120.8787 61.6835 72.7855 172.6632 28 L 4.9742 8.5964 125.3847 52.8084 45.3021 175.5928 29 V 4.8696 8.4189 121.7556 60.8278 34.9037 174.3514 30 N 4.8458 8.4399 124.1864 52.9597 38.0536 175.8362 31 K 4.3303 9.1480 121.6725 57.4490 33.2932 176.6692 32 T 4.8583 7.7004 108.4649 59.3437 71.8175 174.1514 33 T 4.3796 8.4714 112.6821 61.9452 69.9121 173.5826 34 I 4.4411 8.7759 125.3561 59.5807 39.6157 174.1622 35 L 4.9842 8.5627 129.4226 53.6964 43.6604 175.2580 36 L 4.8223 9.0075 126.7883 51.9868 43.7075 176.4757 37 R 4.7543 8.9105 123.2228 55.1484 30.9417 174.8547 38 P 4.4655 0.0000 0.0000 63.5510 33.1863 176.6442 39 M 4.0636 8.9067 117.9206 55.5706 29.7643 176.4204 40 K 4.8380 7.4618 115.5706 54.4948 36.0175 175.8556 41 T 4.4085 8.2871 117.5851 63.2215 68.8595 174.1832 42 T 4.6477 8.6165 122.8686 61.9771 71.1880 173.3152 43 T 4.8047 8.4809 119.6849 60.1671 70.6621 172.9831 44 V 4.3298 8.7797 128.3149 61.0740 33.8520 174.1519 45 D 4.8668 8.7213 128.7716 54.3767 40.7471 176.5982 46 L 4.1529 8.5784 123.7475 54.1422 42.9477 177.8735 47 G 4.1893 8.8834 106.4725 45.3898 0.0000 171.9799 48 L 5.5367 7.7937 121.3320 53.2120 44.7860 174.5971 49 Y 5.1408 9.1328 123.3994 56.4790 41.3706 174.8122 50 A 5.2277 8.5856 122.2419 51.3353 22.4668 175.8318 51 R 4.4582 9.1798 123.3429 53.9746 31.0361 175.1590 52 P 4.2106 0.0000 0.0000 61.9039 31.9895 175.0062 53 P 4.5033 0.0000 0.0000 61.5673 32.3163 175.1326 54 E 4.1326 8.4803 119.8714 58.0635 29.4005 177.1845 55 G 3.8653 9.2810 114.1424 45.1874 0.0000 172.0301 56 H 5.0772 8.0591 115.3622 53.9875 32.6806 172.8897 57 G 3.8167 7.9796 107.2465 44.2837 0.0000 171.6350 58 L 5.2831 8.2766 118.3136 52.9316 45.6002 175.6877 59 M 5.1570 9.5410 122.1250 53.7822 34.9306 174.0185 60 L 5.5142 9.0527 128.6225 53.1688 45.0750 174.9437 61 W 5.3741 9.0272 121.7485 55.4069 31.7773 173.6546 62 G 4.2435 8.8528 109.5110 45.2511 0.0000 173.0703 63 S 4.9539 8.9632 117.5030 56.5414 65.3602 172.7056 64 T 5.1199 8.5767 120.1897 61.0406 70.3129 173.1079 65 S 4.6624 8.5996 118.6837 58.0667 63.5196 174.3663 66 R 4.3120 7.4595 120.8345 55.2293 31.4385 175.0150 67 P 4.7434 0.0000 0.0000 62.4937 29.3452 175.9238 68 V 4.8259 7.3991 118.1677 62.0675 35.5725 175.1959 69 T 4.6283 8.6474 123.6362 61.7563 71.2486 173.1785 70 S 4.8730 8.6107 121.0999 57.3672 63.7410 173.0867 71 H 4.3240 9.0225 127.4596 56.3404 30.4469 174.7487 72 V 4.1513 8.2763 125.8787 61.8970 32.1500 175.0831 73 G 3.9556 9.2946 116.8073 45.2341 0.0000 171.9455 74 I 4.6502 8.1637 125.5822 60.0016 38.5718 175.2058 75 I 4.1348 8.9120 129.6627 59.8665 38.4769 175.5988 76 D 4.8057 8.5332 127.3058 53.0543 41.7061 175.7906 77 P 4.2700 0.0000 0.0000 65.7652 31.4272 178.0394 78 G 3.7571 8.0183 104.6683 46.8905 0.0000 172.6949 79 Y 4.2481 8.0099 122.8356 57.4586 39.0950 174.8972 80 T 4.5222 7.8218 115.0812 61.0765 69.9178 174.0409 81 G 3.7416 6.2291 111.3175 44.2286 0.0000 172.5429 82 E 3.2877 8.0843 119.8026 55.0462 30.3030 176.6598 83 L 4.2650 8.9307 126.6630 54.8459 42.8805 175.9700 84 R 4.8592 8.4043 122.5452 54.4420 33.2106 173.9528 85 L 4.6482 8.6566 127.6134 53.7326 44.4634 174.8865 86 I 4.8118 8.2773 125.6741 59.5390 39.9919 174.4654 87 L 5.2116 9.2303 126.4790 53.0002 45.6730 175.5747 88 Q 4.7118 8.8473 119.5436 54.0464 33.1176 173.6292 89 N 4.8219 8.4441 119.7879 52.4825 39.7470 175.0658 90 Q 4.3930 9.0561 125.2260 57.8161 29.4189 176.5282 91 R 4.3778 8.1451 117.5790 54.4044 31.9420 176.6305 92 R 4.0873 7.8365 117.5492 57.4527 30.4485 175.4351 93 Y 4.9851 6.2177 114.7880 54.2784 41.1709 174.8753 94 N 4.7097 8.9683 116.0453 54.2782 39.7590 174.3981 95 S 5.0341 9.0775 118.6883 57.0985 66.0121 173.1117 96 T 4.9734 8.5876 120.1279 61.8837 70.9447 174.1393 97 L 4.7334 9.3625 127.0634 52.9148 43.3359 176.4969 98 R 4.3809 9.1427 123.9567 55.0243 31.4507 175.1161 99 P 4.4695 0.0000 0.0000 64.4357 31.7508 177.7324 100 S 4.1007 8.9328 116.3158 59.2007 61.9876 171.6743 101 E 4.0749 8.2640 118.9409 57.6702 29.5662 176.2206 102 L 4.8061 8.3590 121.9414 53.0779 44.5286 175.1886 103 K 4.7281 8.7156 125.8445 54.7477 34.9776 175.4815 104 I 4.5450 8.5156 124.6534 59.8340 39.9948 174.1579 105 H 4.9303 8.3178 124.8282 53.5564 31.5627 173.4890 106 L 5.2674 8.5127 123.5437 53.3806 45.2362 175.0456 107 A 5.0827 9.1241 125.9047 50.8938 23.2708 174.9882 108 A 5.1484 8.7140 121.1726 51.3340 21.5134 176.1749 109 F 5.1406 8.0652 112.1235 55.8396 41.7435 173.8760 110 R 4.8256 9.0877 120.2369 56.1624 31.5446 174.9224 111 Y 5.6878 8.2380 118.9206 55.6446 41.5890 173.9036 112 A 4.7086 8.8203 120.5676 50.4004 22.2960 175.7314 113 T 4.6139 8.2139 115.9876 60.9332 70.6325 173.2514 114 P 4.2920 0.0000 0.0000 62.4681 32.1993 176.8341 115 Q 4.1377 8.0621 119.1951 54.2165 27.3201 173.5535 *129 P 4.0472 0.0000 0.0000 62.9902 32.6371 177.0327 130 G 3.8796 9.1116 109.0669 46.0395 0.0000 172.4924 131 D 4.6148 8.0958 124.7153 53.5406 42.1464 178.0924 132 V 3.0475 9.1381 122.5942 65.1922 31.6648 176.7813 133 G 4.1541 7.6556 104.6347 44.7139 0.0000 172.5507 134 L 4.8831 8.5982 122.7638 52.9464 44.1943 175.5089 135 D 4.9687 8.8681 126.4092 54.3827 42.0197 175.6653 136 V 4.4853 8.7922 122.6513 61.3062 33.9604 174.6048 137 S 5.2732 8.7994 123.8360 57.6447 64.2083 173.9084 138 L 4.1212 9.0534 125.6763 54.1213 41.9233 176.2761 139 P 4.3831 0.0000 0.0000 63.8161 31.9127 175.6121 140 K 4.5623 7.1230 116.8598 55.3078 35.6694 175.5693 141 D 4.7238 8.4341 120.6171 54.5078 41.6273 175.8485 142 L 4.6709 9.1501 123.2325 53.4817 45.4861 174.6084 143 A 5.0588 8.7437 127.6985 50.2061 21.5289 175.6992 144 L 4.7016 8.7152 121.5106 52.6320 45.4104 176.5904 145 F 4.7629 8.6134 119.5193 54.7261 39.7077 173.3764 146 P 4.6030 0.0000 0.0000 64.1112 31.4107 176.2793 147 H 3.9694 8.9894 118.3015 56.2272 27.1166 174.4729 148 Q 3.9176 7.5903 121.8778 55.8465 30.0563 174.5902 149 T 4.9690 8.1172 122.4682 61.9164 70.2469 174.1636 150 V 4.6388 8.8319 125.5261 59.8936 35.4725 174.3434 151 S 5.2994 8.5004 114.7479 56.6220 66.2768 173.3481 152 V 4.2728 8.5647 121.0564 61.4114 34.0335 174.4492 153 T 4.6482 8.5243 125.0381 63.0152 69.4826 174.0112 154 L 4.6353 8.9348 126.6635 53.4987 43.8185 176.6158 155 T 4.1726 8.7371 117.2022 63.4853 68.9369 174.7020 156 V 3.7958 7.8826 121.2258 61.9085 31.6571 173.6857 157 P 4.1118 0.0000 0.0000 61.7390 31.7467 174.7766 158 P 4.3276 0.0000 0.0000 61.2212 32.1406 174.3099 159 P 4.2430 0.0000 0.0000 62.5367 31.6752 176.6441 160 S 4.2756 8.5770 117.7924 58.2785 63.3127 173.1195 161 I 4.3517 8.0776 127.1659 58.4135 39.4451 173.2294 162 P 4.3446 0.0000 0.0000 64.6443 31.5379 176.1249 163 H 4.3799 9.3803 119.1092 55.7286 26.0080 173.7196 164 H 5.4601 7.9216 114.8472 54.0105 32.6782 173.1029 165 R 4.8415 9.1830 119.7469 53.5519 33.3559 173.4403 166 P 4.3478 0.0000 0.0000 63.0762 32.6542 175.2040 167 T 4.9989 8.8417 116.8722 60.6248 71.6984 172.0226 168 I 4.9116 8.7358 127.7558 59.6762 39.6125 174.9079 169 F 4.7458 8.9679 124.7184 55.3426 43.0167 174.9569 170 G 4.2711 8.6442 107.8655 45.7248 0.0000 173.0863 171 R 4.8338 8.1664 117.9068 54.2923 32.5899 178.1238 172 S 4.0407 8.6482 117.3861 61.4076 62.4883 177.1073 173 G 3.6877 8.0798 108.0138 48.0223 0.0000 175.4781 174 L 4.0140 7.9029 121.2971 57.0912 41.6450 179.0719 175 A 4.3392 7.7642 122.0680 55.0400 18.0495 179.5113 176 M 3.9940 8.3005 115.7116 58.6865 32.1045 178.4385 177 Q 4.2606 7.5414 115.5846 56.6906 29.3084 176.9401 178 G 3.9894 8.5722 109.7700 44.8612 0.0000 172.5697 179 I 4.8726 7.9361 121.6456 59.8780 38.6736 174.6761 180 L 4.8951 8.8247 127.7501 53.0722 44.2145 175.7393 181 V 4.6635 8.2147 122.3050 61.1343 33.2126 174.9810 182 K 4.1771 8.3984 129.9398 55.2476 32.4755 174.8511 183 P 4.7123 0.0000 0.0000 62.6760 32.0019 175.3364 184 C 4.5485 7.6804 115.9972 56.8650 32.9335 172.8378 185 R 4.1779 8.3791 121.0048 56.2661 30.5827 176.3940 186 W 4.6648 8.8217 135.0000 56.1766 29.8827 175.9813 187 R 4.3670 8.3636 124.7522 55.0737 30.7110 178.0175 188 R 3.9691 8.7716 119.3600 59.6163 30.0985 178.1407 189 G 3.8039 8.0344 103.6679 45.5712 0.0000 172.6677 190 G 4.1842 8.5200 106.8298 44.1394 0.0000 173.6325 191 V 4.2928 8.3977 117.8656 59.6935 34.8825 174.7781 192 D 5.0765 8.4858 122.7146 52.7672 41.9310 175.8605 193 V 3.8272 8.4781 125.6372 61.8502 32.8628 174.7965 194 S 4.8209 8.5569 123.9069 57.6706 63.6535 172.4696 195 L 5.2763 9.4310 127.8780 53.2480 44.8887 175.5497 196 T 4.7389 8.6754 118.9146 61.6628 72.0916 172.6441 197 N 4.7814 8.8472 126.1649 52.7834 39.7447 174.8038 198 F 4.8138 9.5850 125.6483 57.5700 40.3154 176.2306 199 S 5.4835 8.7870 115.6290 56.3665 65.2643 174.4261 200 D 4.7123 8.6736 117.5549 53.7355 39.6628 175.9333 201 Q 4.7376 7.4730 118.3609 54.5022 31.2886 175.4200 202 T 4.1729 8.2741 118.6719 63.4559 69.9258 173.5337 203 V 4.1911 8.9341 127.9769 61.1665 33.6529 174.2747 204 F 5.1707 8.6591 126.5592 55.9738 40.7054 174.8904 205 L 4.6952 9.5583 125.8083 52.9352 43.5771 176.0844 206 N 4.8836 8.8066 121.8111 52.3370 39.9836 174.5171 207 K 3.7977 8.8676 123.4404 58.3409 32.5261 176.5251 208 Y 4.0899 9.0513 122.8606 57.9735 36.8804 169.6444 209 R 4.0417 7.9603 121.9901 56.5160 31.3209 175.9934 210 R 4.9146 8.9061 125.5343 56.5881 29.3495 176.0159 211 F 4.9294 8.9951 118.7545 56.7350 39.3007 174.9648 212 C 4.6906 6.8786 113.4501 58.1315 32.6785 172.1210 213 Q 4.9527 8.4394 115.5597 54.7135 32.0110 173.6389 214 L 5.0624 8.9491 124.2339 53.8459 44.1697 175.1530 215 V 4.6285 8.9212 126.2417 61.3805 34.8303 174.0085 216 Y 4.9865 8.9309 125.9250 57.1211 38.4755 174.2719 217 L 4.8082 8.9402 125.5532 53.9415 43.5870 176.2966 218 H 4.3324 9.2118 123.5934 56.2274 30.5540 176.4286 219 K 3.9567 8.8240 124.8485 60.0514 32.5069 178.5294 220 H 4.1662 8.3710 118.1713 58.9552 29.8970 175.2129 221 H 5.3864 8.3839 114.5663 55.5819 29.1098 174.4212 222 L 5.1594 7.6076 119.7100 52.9914 43.8939 175.8478 223 T 4.6205 8.2225 116.3695 60.8409 70.4511 174.2192 224 S 4.5298 8.6981 122.6510 59.1178 63.4657 173.8617 225 F 4.3058 7.4912 118.7184 55.1687 41.9627 175.3631 226 Y 3.7580 6.6079 120.3084 58.2269 35.9978 175.6606 227 S 4.7941 7.6096 119.1659 55.3685 65.6051 172.9031 228 P 4.1397 0.0000 0.0000 64.2268 31.5603 176.1684 229 H 3.8223 8.4198 116.4299 56.7530 26.0685 173.8944 230 S 4.3225 7.1257 110.3648 56.4531 66.6460 172.8938 231 D 4.7383 8.7210 119.2032 52.7644 43.8251 175.8752 232 A 4.0521 8.7944 128.9268 53.8635 18.9422 178.5965 233 G 3.7685 8.4737 105.1692 48.4209 0.0000 175.7779 234 V 3.3747 7.7009 118.6678 65.3666 31.6117 176.6258 235 L 4.2066 7.9807 115.6476 53.9215 41.8974 175.2787 236 G 3.7129 7.5572 104.9195 43.5064 0.0000 171.6644 237 P 4.4492 0.0000 0.0000 64.1053 31.9421 176.7366 238 R 4.4877 7.8982 115.6856 55.7843 30.5666 175.3116 239 S 4.9470 7.6143 111.6201 56.5634 66.6018 173.0258 240 L 4.8589 8.6691 120.0501 52.8845 45.3636 175.3063 241 F 5.1955 8.9532 124.6240 57.1701 41.1236 174.3499 242 R 4.2960 8.5853 127.7251 53.9679 31.6478 175.4531 243 W 4.8108 6.6437 123.7899 55.3259 29.7473 175.9709 244 A 4.4128 9.0696 123.2743 52.0707 18.6284 178.2640 245 S 4.5853 8.7698 116.7343 57.4272 62.8700 174.0015 246 C 5.0937 8.4700 122.7452 55.3615 42.2167 172.9096 247 T 5.0739 8.0450 116.8648 61.9298 70.6490 173.9523 248 F 4.8388 8.9897 125.0671 57.2270 40.4488 174.8820 249 E 4.5755 9.6521 123.9420 54.1609 32.6182 174.0006 250 E 3.2424 8.9524 129.0302 56.4760 30.4280 176.4682 251 V 4.1873 8.5418 128.0771 60.2650 32.7715 174.2022 252 P 4.2933 0.0000 0.0000 64.7448 31.5803 179.1717 253 S 4.1789 7.8769 111.8028 60.5244 63.1542 175.3991 254 L 3.8874 7.6338 120.7486 57.3591 41.4729 177.5668 255 A 2.7076 7.4125 120.3942 51.1122 18.9329 177.2355 256 M 3.7072 7.8295 117.7659 56.3652 32.9079 175.8985 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.32 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 2 E 8.48 4.06 0.00 2.03 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 2.36 0.00 3 A 8.22 4.63 1.20 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 0.00 0.00 4 C 7.99 4.73 0.00 2.89 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 5 P 0.00 4.41 0.00 2.04 1.94 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 6 H 8.41 4.36 0.00 3.02 3.24 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.68 4.17 0.93 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.41 0.75 0.00 0.00 8 R 8.80 5.24 0.00 1.82 1.88 0.00 3.44 0.00 0.00 3.38 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.51 0.00 9 Y 8.26 5.51 0.00 3.37 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 10 A 9.31 4.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.72 5.50 0.00 3.23 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 12 Q 7.84 3.67 0.00 2.02 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.60 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 13 N 7.49 4.28 0.00 2.60 2.62 0.00 0.00 6.88 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 14 D 8.83 4.75 0.00 3.08 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 15 K 8.42 4.44 0.00 1.88 1.88 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.41 7.81 16 L 7.78 5.25 0.00 1.72 1.58 1.01 1.32 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 17 L 8.85 4.42 0.00 1.74 1.51 0.92 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.48 4.02 0.00 0.95 1.45 0.42 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.78 4.16 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.40 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 20 Q 7.42 4.49 0.00 1.56 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 *24 G 8.42 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.81 4.55 0.00 0.67 1.35 0.00 2.38 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.16 0.00 26 L 8.44 3.92 0.00 0.27 0.65 -0.25 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.79 4.89 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 0.97 0.00 0.00 28 L 8.60 4.97 0.00 1.31 1.33 0.76 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.42 4.87 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 1.03 0.00 0.00 0.87 0.00 0.00 30 N 8.44 4.85 0.00 2.74 2.89 0.00 0.00 6.98 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 31 K 9.15 4.33 0.00 1.75 1.90 0.00 1.63 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.38 7.81 32 T 7.70 4.86 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 1.21 0.00 0.00 33 T 8.47 4.38 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 1.21 0.00 0.00 34 I 8.78 4.44 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.08 0.90 0.00 0.00 35 L 8.56 4.98 0.00 1.66 1.56 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 36 L 9.01 4.82 0.00 1.73 1.54 0.98 0.15 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 37 R 8.91 4.75 0.00 1.71 1.89 0.00 3.44 0.00 0.00 3.29 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.43 0.00 38 P 0.00 4.47 0.00 2.16 2.33 0.00 3.85 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 39 M 8.91 4.06 0.00 2.34 2.23 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 40 K 7.46 4.84 0.00 1.74 1.67 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.53 7.81 41 T 8.29 4.41 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 1.18 0.00 0.00 42 T 8.62 4.65 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 1.19 0.00 0.00 43 T 8.48 4.80 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 1.21 0.00 0.00 44 V 8.78 4.33 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.91 0.00 0.00 45 D 8.72 4.87 0.00 2.61 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.76 0.00 54 E 8.48 4.13 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 55 G 9.28 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 56 H 8.06 5.08 0.00 3.10 3.12 0.00 5.80 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 57 G 7.98 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 58 L 8.28 5.28 0.00 1.61 1.60 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 59 M 9.54 5.16 0.00 2.21 1.96 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.33 0.00 60 L 9.05 5.51 0.00 1.78 1.49 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 61 W 9.03 5.37 0.00 3.37 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 62 G 8.85 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.96 4.95 0.00 4.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 T 8.58 5.12 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 1.32 0.00 0.00 65 S 8.60 4.66 0.00 4.02 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 66 R 7.46 4.31 0.00 1.79 1.93 0.00 3.74 0.00 0.00 3.46 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 67 P 0.00 4.74 0.00 2.13 2.25 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.01 0.00 68 V 7.40 4.83 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 0.85 0.00 0.00 0.92 0.00 0.00 69 T 8.65 4.63 3.89 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 1.24 0.00 0.00 70 S 8.61 4.87 0.00 3.90 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 79 Y 8.01 4.25 0.00 2.95 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 80 T 7.82 4.52 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 1.25 0.00 0.00 81 G 6.23 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 82 E 8.08 3.29 0.00 1.26 1.64 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 2.15 2.15 0.00 83 L 8.93 4.26 0.00 1.59 1.54 0.96 0.73 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 84 R 8.40 4.86 0.00 1.77 1.73 0.00 3.53 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.78 0.00 85 L 8.66 4.65 0.00 1.78 1.46 0.93 0.79 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 86 I 8.28 4.81 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.55 0.85 0.00 0.00 87 L 9.23 5.21 0.00 1.43 1.43 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.85 4.71 0.00 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 1.86 1.75 0.00 89 N 8.44 4.82 0.00 2.79 2.74 0.00 0.00 7.07 7.08 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 90 Q 9.06 4.39 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.51 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 91 R 8.15 4.38 0.00 1.55 0.86 0.00 3.13 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 92 R 7.84 4.09 0.00 1.69 1.94 0.00 3.13 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 93 Y 6.22 4.99 0.00 2.94 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 94 N 8.97 4.71 0.00 2.76 2.86 0.00 0.00 6.62 7.57 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 95 S 9.08 5.03 0.00 3.77 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.26 1.33 7.81 104 I 8.52 4.54 1.64 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.54 0.74 0.00 0.00 105 H 8.32 4.93 0.00 1.40 1.88 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.51 5.27 0.00 1.56 1.30 0.98 1.04 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 0.00 107 A 9.12 5.08 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 0.00 108 A 8.71 5.15 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 0.00 109 F 8.07 5.14 0.00 3.12 3.38 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 0.00 110 R 9.09 4.83 0.00 1.95 1.92 0.00 2.97 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.58 0.00 111 Y 8.24 5.69 0.00 3.30 3.33 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 0.00 112 A 8.82 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.21 4.61 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 1.29 0.00 0.00 114 P 0.00 4.29 0.00 2.12 1.72 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 2.06 2.26 0.00 115 Q 8.06 4.14 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 *129 P 0.00 4.05 0.00 2.10 2.05 0.00 3.68 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 1.95 2.11 0.00 130 G 9.11 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.10 4.61 0.00 2.70 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 0.00 132 V 9.14 3.05 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 0.44 0.00 0.00 0.17 0.00 0.00 133 G 7.66 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 0.00 0.00 0.00 0.00 134 L 8.60 4.88 0.00 1.83 1.59 0.97 1.62 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 0.00 135 D 8.87 4.97 0.00 2.64 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 0.00 136 V 8.79 4.49 1.86 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 1.12 0.00 0.00 1.07 0.00 0.00 137 S 8.80 5.27 0.00 3.95 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 0.00 138 L 9.05 4.12 0.00 1.66 1.41 0.76 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 4.38 0.00 2.18 2.23 0.00 3.55 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 140 K 7.12 4.56 0.00 1.62 1.67 0.00 1.49 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.13 1.33 7.81 141 D 8.43 4.72 0.00 2.53 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 0.00 142 L 9.15 4.67 0.00 1.47 1.34 0.70 0.91 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 0.00 143 A 8.74 5.06 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 0.00 144 L 8.72 4.70 0.00 1.37 1.30 0.82 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 145 F 8.61 4.76 0.00 2.93 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 0.00 146 P 0.00 4.60 0.00 2.10 2.20 0.00 3.99 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.22 0.00 147 H 8.99 3.97 0.00 3.29 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 Q 7.59 3.92 0.00 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 6.79 0.00 0.00 0.00 0.00 0.00 1.84 1.50 0.00 149 T 8.12 4.97 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 150 V 8.83 4.64 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 0.68 0.00 0.00 0.83 0.00 0.00 151 S 8.50 5.30 0.00 3.77 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 0.00 152 V 8.56 4.27 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 0.80 0.00 0.00 0.63 0.00 0.00 153 T 8.52 4.65 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 1.17 0.00 0.00 154 L 8.93 4.64 0.00 0.76 1.34 0.53 0.48 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 0.00 155 T 8.74 4.17 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 1.28 0.00 0.00 156 V 7.88 3.80 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 0.90 0.00 0.00 1.01 0.00 0.00 157 P 0.00 4.11 0.00 2.00 1.89 0.00 3.75 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 2.03 2.10 0.00 158 P 0.00 4.33 0.00 1.99 1.50 0.00 2.98 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 1.40 0.68 0.00 159 P 0.00 4.24 0.00 2.03 2.01 0.00 3.74 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 2.03 2.07 0.00 160 S 8.58 4.28 0.00 3.81 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 0.00 161 I 8.08 4.35 1.54 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 -0.01 0.66 0.00 0.00 162 P 0.00 4.34 0.00 2.01 1.89 0.00 3.62 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 163 H 9.38 4.38 0.00 3.35 3.46 0.00 5.56 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 H 7.92 5.46 0.00 3.20 3.40 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 R 9.18 4.84 0.00 1.69 1.83 0.00 3.32 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 166 P 0.00 4.35 0.00 1.83 1.55 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.76 0.00 167 T 8.84 5.00 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 1.50 0.00 0.00 168 I 8.74 4.91 1.64 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 1.22 0.62 0.67 0.00 0.00 169 F 8.97 4.75 0.00 2.93 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 G 8.64 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 0.00 171 R 8.17 4.83 0.00 1.86 1.82 0.00 3.13 0.00 0.00 3.48 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 172 S 8.65 4.04 0.00 3.82 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 G 8.08 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 0.00 0.00 0.00 174 L 7.90 4.01 0.00 1.72 1.76 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 175 A 7.76 4.34 1.19 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 0.00 0.00 176 M 8.30 3.99 0.00 1.94 2.30 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.87 0.00 177 Q 7.54 4.26 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.55 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 178 G 8.57 3.99 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 0.00 0.00 0.00 179 I 7.94 4.87 1.91 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 1.25 1.74 0.95 0.00 0.00 180 L 8.82 4.90 0.00 1.89 1.66 0.73 0.68 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 0.00 181 V 8.21 4.66 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 0.63 0.00 0.00 0.91 0.00 0.00 182 K 8.40 4.18 0.00 1.79 1.62 0.00 1.80 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.52 7.81 183 P 0.00 4.71 0.00 1.52 0.79 0.00 3.65 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.73 0.00 184 C 7.68 4.55 0.00 2.82 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 0.00 185 R 8.38 4.18 0.00 1.81 1.86 0.00 3.22 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 186 W 8.82 4.66 0.00 3.38 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 0.00 187 R 8.36 4.37 0.00 1.97 1.88 0.00 3.21 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 188 R 8.77 3.97 0.00 1.82 2.03 0.00 3.20 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 189 G 8.03 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 0.00 0.00 0.00 190 G 8.52 4.18 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 0.00 0.00 0.00 191 V 8.40 4.29 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.67 0.00 0.00 0.73 0.00 0.00 192 D 8.49 5.08 0.00 2.47 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 V 8.48 3.83 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.70 0.00 0.00 194 S 8.56 4.82 0.00 3.88 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 0.00 195 L 9.43 5.28 0.00 1.51 1.50 1.02 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 196 T 8.68 4.74 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 197 N 8.85 4.78 0.00 2.69 2.66 0.00 0.00 6.77 7.88 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 0.00 198 F 9.59 4.81 0.00 3.12 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 0.00 199 S 8.79 5.48 0.00 3.93 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 0.00 200 D 8.67 4.71 0.00 2.78 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 0.00 201 Q 7.47 4.74 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 202 T 8.27 4.17 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 203 V 8.93 4.19 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.88 0.00 0.00 204 F 8.66 5.17 0.00 2.98 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 0.00 205 L 9.56 4.70 0.00 1.36 1.56 0.90 0.53 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 0.00 206 N 8.81 4.88 0.00 2.66 2.70 0.00 0.00 6.70 7.82 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 0.00 207 K 8.87 3.80 0.00 1.52 1.30 0.00 1.33 0.00 0.00 1.25 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 1.08 7.81 208 Y 9.05 4.09 0.00 3.19 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 0.00 209 R 7.96 4.04 0.00 2.10 1.86 0.00 3.13 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 210 R 8.91 4.91 0.00 1.79 1.97 0.00 3.36 0.00 0.00 3.54 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 211 F 9.00 4.93 0.00 3.05 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 C 6.88 4.69 0.00 2.87 2.52 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 0.00 0.00 0.00 213 Q 8.44 4.95 0.00 2.10 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 214 L 8.95 5.06 0.00 1.87 1.75 0.72 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 215 V 8.92 4.63 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 0.84 0.00 0.00 0.89 0.00 0.00 216 Y 8.93 4.99 0.00 3.31 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 L 8.94 4.81 0.00 1.72 1.75 0.96 0.32 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 0.00 218 H 9.21 4.33 0.00 3.31 3.31 0.00 5.60 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 K 8.82 3.96 0.00 1.96 2.05 0.00 1.38 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.35 7.81 220 H 8.37 4.17 0.00 3.15 3.32 0.00 5.72 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 0.00 221 H 8.38 5.39 0.00 3.56 3.65 0.00 5.62 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 0.00 222 L 7.61 5.16 0.00 1.64 1.57 0.95 0.80 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 0.00 223 T 8.22 4.62 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 1.19 0.00 0.00 224 S 8.70 4.53 0.00 3.97 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 0.00 225 F 7.49 4.31 0.00 3.03 3.04 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 0.00 226 Y 6.61 3.76 0.00 2.60 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 S 7.61 4.79 0.00 3.75 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 P 0.00 4.14 0.00 2.01 1.91 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 229 H 8.42 3.82 0.00 2.91 2.91 0.00 5.56 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 0.00 230 S 7.13 4.32 0.00 3.70 3.36 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 0.00 231 D 8.72 4.74 0.00 3.28 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 A 8.79 4.05 1.22 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 0.00 233 G 8.47 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 0.00 0.00 0.00 234 V 7.70 3.37 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 -0.25 0.00 0.00 235 L 7.98 4.21 0.00 1.57 1.50 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 236 G 7.56 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 0.00 237 P 0.00 4.45 0.00 2.16 2.17 0.00 3.44 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.07 0.00 238 R 7.90 4.49 0.00 1.79 1.98 0.00 3.15 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 239 S 7.61 4.95 0.00 3.77 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 0.00 240 L 8.67 4.86 0.00 1.41 1.40 0.34 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 241 F 8.95 5.20 0.00 2.93 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 242 R 8.59 4.30 0.00 1.55 1.61 0.00 2.91 0.00 0.00 2.96 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.09 0.00 243 W 6.64 4.81 0.00 3.34 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 0.00 244 A 9.07 4.41 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 245 S 8.77 4.59 0.00 4.03 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 0.00 246 C 8.47 5.09 0.00 2.78 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 0.00 247 T 8.04 5.07 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 1.29 0.00 0.00 248 F 8.99 4.84 0.00 2.88 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 0.00 249 E 9.65 4.58 0.00 1.80 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 0.00 2.15 2.14 0.00 250 E 8.95 3.24 0.00 1.57 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 2.10 1.90 0.00 251 V 8.54 4.19 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 0.88 0.00 0.00 0.94 0.00 0.00 252 P 0.00 4.29 0.00 2.15 2.02 0.00 3.58 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 253 S 7.88 4.18 0.00 3.91 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 0.00 254 L 7.63 3.89 0.00 1.74 1.79 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 255 A 7.41 2.71 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 0.00 256 M 7.83 3.71 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.