NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2572 7.8827 121.4465 61.2108 38.7512 173.7782 17 V 4.3295 8.9217 125.9890 61.7590 32.6114 174.2889 18 G 3.9922 8.3802 114.8801 46.7585 0.0000 172.9804 19 G 4.3783 7.9471 111.0684 43.8241 0.0000 172.6643 20 Y 4.9659 7.8988 116.7886 55.1435 42.1982 175.0032 21 T 4.1746 8.5900 117.1676 63.9475 68.4546 175.0497 22 C 4.1920 8.4879 125.2733 61.0465 34.8400 174.6335 23 G 4.1121 8.6866 106.4306 43.7528 0.0000 172.8581 24 A 4.2091 8.6909 125.4569 53.7783 18.4527 176.9350 25 N 4.2583 8.8429 119.6392 54.6859 36.0868 175.3698 26 T 4.2275 7.6200 107.4380 62.5279 70.0853 175.0191 27 V 4.1200 7.0315 121.7469 59.8912 31.3221 173.7394 28 P 4.5880 0.0000 0.0000 64.2034 31.7059 178.0091 29 Y 5.0537 6.6993 115.1348 56.2567 38.8522 174.7075 30 Q 4.5730 7.3973 123.4534 56.3176 29.5853 175.4464 31 V 4.8932 8.9874 118.6416 59.6431 36.3200 174.1716 32 S 4.8539 8.6862 117.1268 56.5660 65.0479 172.7197 33 L 4.4778 8.7047 127.8638 53.5916 42.9383 174.9904 34 N 5.8671 9.1122 123.5315 50.2147 41.7115 175.1533 *37 S 4.2232 8.3943 120.0299 58.3657 64.1743 174.5916 38 G 3.9466 9.8839 109.7761 46.3587 0.0000 173.1945 39 Y 4.5360 6.5053 114.8854 56.1662 40.0168 172.7325 40 H 4.6880 8.9161 121.8846 56.2825 30.3690 174.7968 41 F 5.0928 7.9709 119.8565 56.8548 39.6807 173.8442 42 C 4.7483 6.9440 115.0745 56.2927 44.7899 173.1945 43 G 4.2423 8.6261 109.2258 45.6428 0.0000 172.3320 44 G 4.4439 7.8601 105.3976 46.4759 0.0000 172.7227 45 S 5.4513 8.6954 115.7669 56.4025 66.8132 173.5568 46 L 4.7861 9.1576 127.4742 54.7573 42.3132 177.1209 47 I 4.5263 8.8087 119.5597 60.6614 38.8158 174.6961 48 N 4.6469 7.7605 117.2436 51.8692 39.4352 175.1248 49 S 4.2292 8.6226 112.9044 61.0890 62.9190 175.0918 50 Q 4.5954 8.1386 119.2976 55.1204 31.4292 173.7884 51 W 5.4828 8.4635 117.4624 55.2506 33.2521 174.3624 52 V 5.1411 9.1841 123.9845 60.9982 34.5632 174.3388 53 V 4.9856 8.8517 126.1047 60.4052 33.6699 174.7368 54 S 4.9914 9.0732 118.0334 57.4526 66.1944 171.6356 55 A 4.7354 8.4684 120.4700 50.5276 20.4274 178.3645 56 A 3.7567 8.3414 125.1014 55.3247 18.4059 178.9742 57 H 4.6040 8.3552 109.1715 57.2129 28.6309 175.3440 58 C 4.6979 8.0375 117.4911 57.2588 40.7691 173.3450 59 Y 4.2386 7.4739 121.1241 58.2923 38.6717 175.3675 60 K 3.6844 7.2048 124.6214 55.4616 34.9047 174.2734 61 S 4.4073 8.0590 118.0289 57.9445 65.0428 173.3979 62 G 3.5894 8.3566 106.9866 46.5713 0.0000 173.7561 63 I 4.5217 7.3128 118.9328 59.6992 39.8038 175.9379 64 Q 4.7806 9.0956 128.4699 54.2216 31.5400 174.1669 65 V 4.2830 8.9797 127.1389 61.9445 33.4095 174.5738 66 R 5.1208 8.8599 127.4636 54.7708 32.1824 175.4649 67 L 4.7101 9.0720 124.6712 52.5971 45.0122 177.3826 *69 G 4.2668 8.2095 106.3747 45.5707 0.0000 172.7234 70 E 4.5524 8.2629 118.3620 55.1227 30.7320 174.1270 71 D 4.7704 8.2007 117.7919 55.0933 42.9751 174.5085 72 N 4.9682 7.8819 121.0406 52.9066 39.3620 175.7070 73 I 3.7875 8.4677 120.1077 62.2589 37.8324 176.2796 74 N 4.7835 8.6080 118.0168 53.0205 39.2751 174.7480 75 V 4.3127 7.3492 117.1676 60.7058 34.3601 175.0580 76 V 4.0967 8.4614 126.7794 62.7180 30.8946 175.2156 77 E 4.3664 9.2770 127.6751 55.6299 30.1610 177.0969 78 G 4.0452 7.9982 106.0412 45.3441 0.0000 174.3055 79 N 4.9691 8.2432 115.9922 53.0474 40.1444 174.1532 80 E 5.3597 7.8996 117.9304 55.4216 31.2325 176.4305 81 Q 4.2027 8.4083 119.9706 54.5339 32.6700 174.0642 82 F 5.4744 8.6129 123.9418 56.2610 40.3524 175.7525 83 I 4.6867 8.8647 125.0332 59.4504 40.8861 175.6213 84 S 4.6544 8.7001 122.0986 58.1974 64.3628 173.1253 85 A 4.6637 8.3089 124.9459 51.7960 18.6858 177.6769 86 S 4.5297 8.8940 116.1309 59.3196 64.9332 174.4965 87 K 4.6368 7.5482 119.8914 55.2450 35.4539 174.4336 88 S 5.3018 8.8030 121.8351 56.8625 66.3321 173.7016 89 I 4.5861 9.3069 124.3886 59.5186 39.9944 174.8369 90 V 4.2049 8.4277 127.3896 62.1149 32.6638 175.1589 91 H 3.4034 8.5101 126.5394 55.8965 29.9516 174.2576 92 P 4.2451 0.0000 0.0000 65.4408 31.0648 177.0557 93 S 4.6992 7.6541 112.7487 58.0112 62.8919 173.1584 94 Y 4.2991 7.9921 123.2375 57.6833 38.9719 174.3488 95 N 4.5211 8.4610 126.4375 51.2958 39.6616 175.0795 96 S 3.9351 7.6599 120.5996 60.0271 63.4162 175.4026 97 N 4.3919 8.2939 118.9367 55.1286 38.4813 175.8995 98 T 4.0752 7.6462 105.1763 60.4385 70.1548 174.8060 99 L 3.7262 8.0314 121.0988 55.3584 39.7863 173.8152 100 N 4.4924 7.5793 118.2094 54.6085 39.3875 174.7134 101 N 4.8761 8.7883 120.7120 54.6529 35.7737 175.3165 102 D 4.7108 8.0546 117.3167 53.2693 39.4053 174.5726 103 I 4.8078 7.1183 120.8834 59.3944 42.4246 173.0228 104 M 5.4107 9.0710 126.3586 54.3413 36.3042 173.1734 105 L 5.4260 9.3696 125.0536 53.1856 44.9577 175.4487 106 I 5.0206 9.1385 123.4486 59.4674 40.9264 174.2190 107 K 3.7222 8.7310 128.7741 54.5268 33.0705 175.5340 108 L 4.5674 8.1944 127.2918 54.0717 42.5905 178.2341 109 K 4.2571 8.7158 122.2400 59.0335 32.4774 177.5673 110 S 4.5650 7.4167 108.9793 56.0448 66.0713 173.5791 111 A 4.4172 8.3560 123.5051 52.0683 18.7886 177.2892 112 A 4.3370 8.9442 123.3918 51.7415 19.9129 177.8270 113 S 4.5020 9.0489 117.1981 57.2856 63.3512 174.3312 114 L 4.5233 8.4501 126.1254 54.0960 42.4264 176.4156 115 N 4.9348 8.7198 120.9038 51.8198 39.9004 173.6610 116 S 4.2241 8.7972 111.0537 61.5686 62.6874 176.0714 117 R 4.1939 8.0456 117.7731 56.6922 30.6387 175.6912 118 V 4.6226 8.6329 117.5831 60.9156 33.2972 173.6182 119 A 5.1856 8.5486 128.5938 50.1111 22.8757 175.1922 120 S 4.9820 8.7529 114.2120 58.0121 64.4434 173.0845 121 I 4.3933 8.6548 121.7069 59.2739 40.4013 175.0624 122 S 4.4427 8.3747 124.2937 58.2280 64.1504 173.7741 123 L 4.3945 8.3488 123.1819 53.4882 42.3704 175.4126 124 P 4.4659 0.0000 0.0000 63.0981 32.0196 176.3742 125 T 4.1642 8.2229 108.7617 62.2978 69.8139 174.4617 *127 S 4.3463 7.5406 115.2237 58.1675 64.0703 173.7101 128 C 4.4169 8.4032 118.1713 56.1897 40.7630 173.9420 129 A 4.1874 8.1606 126.8549 52.1241 19.0863 177.2642 130 S 4.3496 8.1597 116.4439 57.2363 64.6361 173.4457 *132 A 4.2606 8.1675 124.0693 53.5140 19.2336 176.9620 133 G 4.0218 8.9785 110.0595 45.4325 0.0000 174.5025 134 T 4.0431 7.5301 116.8618 63.6563 69.4867 173.8420 135 Q 4.6484 8.5800 125.0686 55.6739 29.9047 175.8851 136 C 5.2627 9.0342 119.8094 55.0663 45.9495 172.5071 137 L 5.1177 8.9264 123.2657 53.6292 43.7439 175.0707 138 I 5.1947 9.2373 127.5321 58.8553 39.9444 174.9253 139 S 4.9031 8.5127 119.2036 56.4977 66.5870 173.0349 140 G 3.7657 7.3204 108.3774 46.1817 0.0000 172.8697 141 W 4.7582 8.6024 117.0739 56.2943 29.4395 177.0522 142 G 4.1105 8.4108 108.8781 44.1554 0.0000 173.5600 143 N 3.5293 8.2364 118.0821 54.2920 38.9052 174.5024 144 T 5.0346 7.9852 112.5020 60.5033 69.6093 174.2964 145 K 4.6298 7.7465 121.7162 54.6500 34.5916 176.4585 146 S 4.2660 8.6390 117.4826 60.4347 63.5314 174.4888 147 S 4.3536 8.0612 116.0163 59.0541 65.4434 172.1521 148 G 3.8074 9.2047 111.3504 44.3753 0.0000 171.7757 149 T 4.8134 7.9048 113.7428 62.1909 72.7873 174.3900 150 S 4.3595 9.3328 118.9970 58.1739 65.5934 172.9647 151 Y 4.8875 8.7754 126.2600 55.8346 38.8485 174.4617 152 P 4.6487 0.0000 0.0000 62.8260 32.6819 175.4890 153 D 4.8554 8.6641 117.5498 54.9708 42.7469 176.7667 154 V 5.2091 7.7089 110.2835 58.3967 34.4209 175.6747 155 L 3.2419 8.3093 124.8358 55.0807 43.0701 175.9176 156 K 4.8116 8.1349 124.7527 54.8223 35.0666 174.5846 157 C 5.2596 8.5857 120.1231 55.1180 40.6010 172.9182 158 L 5.0192 8.7119 122.8291 53.8135 45.5206 174.5640 159 K 5.1584 8.9883 125.4286 55.2295 33.7842 175.8412 160 A 4.7266 8.8983 125.7678 50.0312 23.1527 173.7056 161 P 5.0377 0.0000 0.0000 62.1952 33.6201 175.4242 162 I 4.3770 8.3451 122.9893 61.4693 38.0328 175.7546 163 L 4.8182 8.7315 127.5874 53.4013 43.2209 177.0417 164 S 4.3746 8.0488 115.6843 58.1499 63.8102 175.3436 165 D 4.4758 8.6669 121.6603 57.2913 40.4648 179.3357 166 S 4.1303 8.0075 114.8514 61.5655 63.2495 176.6120 167 S 4.1259 7.8113 118.3345 60.8304 62.7493 175.5429 168 C 4.3055 8.2627 122.0708 59.6496 43.2631 175.8688 169 K 3.9963 8.1372 118.6948 59.5516 31.6544 179.3329 170 S 4.2850 8.1575 114.6950 61.2657 62.7824 176.1756 171 A 4.1145 7.9794 123.0370 53.6430 19.5244 177.2361 172 Y 4.7390 7.7901 114.7164 54.6596 38.3013 171.8713 173 P 4.4240 0.0000 0.0000 64.0383 32.1577 176.5543 174 G 4.0721 9.0499 110.0573 46.5442 0.0000 173.8702 175 Q 4.5770 8.0807 116.8841 54.9941 30.9136 175.6992 176 I 4.3032 7.9360 119.4151 60.2774 38.3419 175.3293 177 T 4.6081 8.2146 115.2730 59.4641 71.0287 175.1738 178 S 4.3750 8.5848 115.0426 60.2278 63.1091 174.4130 179 N 5.0255 8.1429 118.7245 53.2973 38.6411 173.6898 180 M 5.6380 7.9726 116.8145 53.8467 36.3069 174.7268 181 F 5.1145 8.7676 114.8221 55.8922 41.9738 172.6568 182 C 5.3532 9.0729 117.7242 56.1907 40.8143 172.4653 183 A 5.0471 9.2384 123.1701 50.1387 22.2447 175.1125 184 G 3.9448 6.8916 109.8451 44.9095 0.0000 172.6442 184A Y 4.6975 8.2046 120.3183 56.0273 41.5138 176.3649 185 L 4.1809 8.6533 124.4577 57.3025 42.1097 179.1208 186 E 4.0453 8.2408 117.6052 57.2490 29.7612 177.2469 187 G 3.7804 7.6504 105.0629 44.8231 0.0000 172.7389 188 G 4.0561 9.2825 106.1119 44.9852 0.0000 173.4649 188A K 5.0837 7.3938 117.5633 54.8920 35.6497 175.2257 189 D 4.6186 8.5917 123.4417 53.8063 45.7262 175.4723 190 S 4.7543 8.8408 117.5320 58.4974 64.9934 172.7122 191 C 4.6981 9.2449 118.6072 55.4085 46.9464 171.9510 192 Q 4.2732 8.6759 121.1154 57.9629 28.6210 177.0956 193 G 4.2698 9.2661 113.2460 45.9197 0.0000 173.9073 194 D 4.7005 8.5389 118.6711 55.0635 41.7785 176.6645 195 S 4.3895 8.0763 115.4612 60.5238 63.2741 175.5655 196 G 4.2276 8.9305 112.9187 46.3883 0.0000 173.6937 197 G 4.2449 8.0208 107.4737 45.3937 0.0000 171.2059 198 P 5.1083 0.0000 0.0000 62.3109 33.6072 175.6748 199 V 4.4841 8.4833 120.7409 61.3566 33.9288 173.6371 200 V 4.7556 8.5902 128.3850 61.5077 33.5085 173.9282 201 C 5.0715 8.5943 124.3559 55.8399 44.4196 174.5144 202 S 3.5341 9.7452 118.2458 59.6782 60.0134 173.2871 203 G 3.8999 8.5054 105.6429 45.6173 0.0000 174.0235 204 K 4.6727 7.6235 117.8237 53.0279 35.3807 175.3050 *209 L 4.3047 8.2076 121.3243 55.4920 42.2775 175.9542 210 Q 4.5177 8.8647 125.7993 56.7204 31.2526 175.7294 211 G 5.2216 7.9649 104.4154 45.8133 0.0000 171.4402 212 I 5.3005 8.1880 119.1310 58.9405 41.3618 175.2473 213 V 3.7621 9.0002 127.4529 64.1648 31.8104 174.4220 214 S 4.8350 8.4879 121.2276 58.5775 64.1594 174.1783 215 W 4.9189 7.3573 114.1512 56.0663 31.7951 172.3865 216 G 3.8669 8.4497 105.9970 46.2987 0.0000 173.7398 217 S 4.6197 8.7762 116.8139 56.9050 61.9384 173.1213 *219 G 4.2284 7.9405 118.0517 45.5913 0.0000 170.5613 220 C 4.9137 8.1130 115.6184 56.4384 44.8827 173.8781 221 A 4.0738 9.0326 125.8716 53.1894 16.5518 177.0611 221A Q 4.4808 7.3374 117.3725 56.3924 29.6971 175.8322 222 K 4.1673 8.3763 122.1825 57.7412 32.7171 176.5826 223 N 4.3141 9.3315 122.1622 53.8887 37.0331 175.1845 224 K 4.2731 7.4747 116.5958 53.8207 32.1760 173.5248 225 P 4.5715 0.0000 0.0000 62.2977 33.0927 177.7115 226 G 3.5478 8.4066 106.3244 46.0072 0.0000 172.7360 227 V 4.3280 7.7168 123.2523 60.7541 33.6498 174.1469 228 Y 4.9792 8.2228 124.8215 55.9452 41.9502 175.0797 229 T 4.4157 8.4682 119.7047 63.5645 69.8509 174.2611 230 K 4.7293 9.4927 128.4391 55.6266 31.8223 177.2961 231 V 3.9500 8.8398 127.4217 65.9746 31.3792 174.9921 232 C 4.5073 8.3932 112.7152 58.5519 41.3472 175.0199 233 N 4.1927 7.8675 117.1607 54.6220 38.5642 175.6257 234 Y 4.7581 8.1139 117.6303 57.4914 38.6725 177.2576 235 V 3.6736 7.9148 120.9268 66.4038 31.5302 177.9615 236 S 4.1150 8.0836 114.1460 61.2623 62.7975 176.2063 237 W 4.2404 8.3253 130.5666 60.5855 30.4855 177.7046 238 I 3.0490 8.1876 119.8235 64.2311 36.5857 178.3701 239 K 3.7087 8.1168 119.1913 59.7326 31.6992 179.4649 240 Q 3.8940 7.7929 116.8994 59.1410 28.9120 178.6996 241 T 3.7485 7.3887 116.6592 66.5541 68.1697 176.8602 242 I 2.4913 6.8649 120.1753 63.8807 37.0868 178.1052 243 A 4.1636 7.6263 119.9150 53.8227 18.2142 178.1306 244 S 4.6979 7.3903 110.8038 58.0442 64.1390 174.0123 245 N 4.6981 8.0103 123.6086 53.5777 39.3673 174.1359 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 16 I 7.88 4.26 1.79 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 1.38 1.11 0.87 0.00 0.00 17 V 8.92 4.33 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 0.93 0.00 0.00 0.92 0.00 0.00 18 G 8.38 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 19 G 7.95 4.38 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 0.00 20 Y 7.90 4.97 0.00 3.04 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 21 T 8.59 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 1.22 0.00 0.00 22 C 8.49 4.19 0.00 2.75 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 23 G 8.69 4.11 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 0.00 0.00 0.00 24 A 8.69 4.21 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.84 4.26 0.00 2.89 2.92 0.00 0.00 7.15 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 26 T 7.62 4.23 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 1.24 0.00 0.00 27 V 7.03 4.12 1.74 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 0.30 0.00 0.00 0.75 0.00 0.00 28 P 0.00 4.59 0.00 2.39 2.43 0.00 3.82 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 2.21 1.99 0.00 29 Y 6.70 5.05 0.00 3.28 3.45 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 30 Q 7.40 4.57 0.00 1.77 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.73 0.00 0.00 0.00 0.00 0.00 1.88 2.46 0.00 31 V 8.99 4.89 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 0.79 0.00 0.00 1.02 0.00 0.00 32 S 8.69 4.85 0.00 3.14 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 33 L 8.70 4.48 0.00 0.54 0.94 0.78 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.11 5.87 0.00 2.48 2.51 0.00 0.00 6.77 7.42 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 *37 S 8.39 4.22 0.00 3.63 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 0.00 38 G 9.88 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 0.00 0.00 0.00 39 Y 6.51 4.54 0.00 3.05 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 40 H 8.92 4.69 0.00 2.87 3.18 0.00 5.86 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 41 F 7.97 5.09 0.00 3.11 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 C 6.94 4.75 0.00 2.18 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 43 G 8.63 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 44 G 7.86 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 0.00 0.00 0.00 0.00 45 S 8.70 5.45 0.00 3.82 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.16 4.79 0.00 1.87 1.68 1.04 1.27 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 47 I 8.81 4.53 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 1.28 1.30 0.95 0.00 0.00 48 N 7.76 4.65 0.00 2.94 2.98 0.00 0.00 6.00 7.42 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 49 S 8.62 4.23 0.00 4.05 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 0.00 50 Q 8.14 4.60 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 1.92 2.22 0.00 51 W 8.46 5.48 0.00 3.39 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 52 V 9.18 5.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.98 0.00 0.00 53 V 8.85 4.99 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 0.78 0.00 0.00 1.07 0.00 0.00 54 S 9.07 4.99 0.00 3.87 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 55 A 8.47 4.74 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 56 A 8.34 3.76 0.38 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 57 H 8.36 4.60 0.00 3.38 3.60 0.00 5.55 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 8.04 4.70 0.00 3.21 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.47 4.24 0.00 2.96 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 60 K 7.20 3.68 0.00 1.25 1.22 0.00 0.65 0.00 0.00 1.16 0.00 0.00 2.56 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.88 0.98 7.81 61 S 8.06 4.41 0.00 3.94 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 62 G 8.36 3.59 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 0.00 0.00 0.00 63 I 7.31 4.52 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.80 0.95 0.00 0.00 64 Q 9.10 4.78 0.00 1.97 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 65 V 8.98 4.28 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 0.99 0.00 0.00 0.90 0.00 0.00 66 R 8.86 5.12 0.00 1.63 1.82 0.00 2.73 0.00 0.00 2.66 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.30 0.00 67 L 9.07 4.71 0.00 1.61 1.63 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *69 G 8.21 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 70 E 8.26 4.55 0.00 2.19 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 2.36 2.11 0.00 71 D 8.20 4.77 0.00 2.77 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 72 N 7.88 4.97 0.00 2.84 2.84 0.00 0.00 7.21 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.47 3.79 1.44 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 -0.41 0.00 0.00 74 N 8.61 4.78 0.00 2.81 2.87 0.00 0.00 6.62 7.41 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 75 V 7.35 4.31 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 0.78 0.00 0.00 0.99 0.00 0.00 76 V 8.46 4.10 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 0.87 0.00 0.00 1.02 0.00 0.00 77 E 9.28 4.37 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 78 G 8.00 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 0.00 0.00 0.00 0.00 79 N 8.24 4.97 0.00 2.64 2.79 0.00 0.00 7.14 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 80 E 7.90 5.36 0.00 1.42 1.71 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 2.59 2.47 0.00 81 Q 8.41 4.20 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 82 F 8.61 5.47 0.00 2.85 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 83 I 8.86 4.69 1.88 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 1.24 0.80 0.89 0.00 0.00 84 S 8.70 4.65 0.00 3.75 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 85 A 8.31 4.66 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.89 4.53 0.00 3.76 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.55 4.64 0.00 1.80 1.55 0.00 1.78 0.00 0.00 1.94 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.52 7.81 88 S 8.80 5.30 0.00 3.98 3.94 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 89 I 9.31 4.59 2.07 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.06 1.17 0.00 0.00 90 V 8.43 4.20 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.75 0.00 0.00 91 H 8.51 3.40 0.00 2.84 3.04 0.00 5.65 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.25 0.00 2.14 2.16 0.00 2.50 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.83 0.00 93 S 7.65 4.70 0.00 4.05 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 94 Y 7.99 4.30 0.00 2.98 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 95 N 8.46 4.52 0.00 2.54 2.45 0.00 0.00 6.58 8.28 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 96 S 7.66 3.94 0.00 3.96 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.29 4.39 0.00 2.76 2.79 0.00 0.00 6.84 8.25 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 98 T 7.65 4.08 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 99 L 8.03 3.73 0.00 1.44 1.85 0.50 0.92 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 0.00 100 N 7.58 4.49 0.00 2.73 2.65 0.00 0.00 7.26 6.44 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 0.00 101 N 8.79 4.88 0.00 3.11 2.82 0.00 0.00 7.24 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 0.00 102 D 8.05 4.71 0.00 3.12 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 0.00 103 I 7.12 4.81 1.40 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 1.41 1.22 0.09 0.00 0.00 104 M 9.07 5.41 0.00 2.14 1.82 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.66 0.00 105 L 9.37 5.43 0.00 1.73 1.84 0.02 0.85 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 0.00 106 I 9.14 5.02 1.92 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 1.20 0.97 0.88 0.00 0.00 107 K 8.73 3.72 0.00 0.79 1.04 0.00 1.40 0.00 0.00 1.35 0.00 0.00 2.65 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.67 0.21 7.81 108 L 8.19 4.57 0.00 1.56 1.52 0.95 0.67 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 0.00 109 K 8.72 4.26 0.00 1.59 1.83 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.46 7.81 110 S 7.42 4.57 0.00 3.91 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 0.00 111 A 8.36 4.42 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 0.00 112 A 8.94 4.34 1.26 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 0.00 0.00 113 S 9.05 4.50 0.00 3.74 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 0.00 114 L 8.45 4.52 0.00 1.66 1.63 0.96 1.08 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 0.00 115 N 8.72 4.93 0.00 2.75 2.78 0.00 0.00 6.98 7.80 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 0.00 116 S 8.80 4.22 0.00 3.86 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 0.00 117 R 8.05 4.19 0.00 1.92 1.95 0.00 3.25 0.00 0.00 3.27 7.36 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.54 4.35 0.00 4.00 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 0.00 128 C 8.40 4.42 0.00 2.93 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 0.00 129 A 8.16 4.19 1.06 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 0.00 0.00 130 S 8.16 4.35 0.00 3.84 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 *132 A 8.17 4.26 1.23 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 0.00 133 G 8.98 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 0.00 134 T 7.53 4.04 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 1.15 0.00 0.00 135 Q 8.58 4.65 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 136 C 9.03 5.26 0.00 2.89 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 0.00 137 L 8.93 5.12 0.00 1.77 1.58 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 138 I 9.24 5.19 1.87 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 0.74 1.28 0.96 0.00 0.00 139 S 8.51 4.90 0.00 3.53 3.57 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 0.00 140 G 7.32 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 0.00 141 W 8.60 4.76 0.00 3.23 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 0.00 142 G 8.41 4.11 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 0.00 0.00 0.00 143 N 8.24 3.53 0.00 2.08 2.56 0.00 0.00 7.10 8.53 0.00 0.00 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 T 7.99 5.03 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 1.27 0.00 0.00 145 K 7.75 4.63 0.00 1.86 1.84 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.27 1.29 7.81 146 S 8.64 4.27 0.00 4.07 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 0.00 147 S 8.06 4.35 0.00 3.82 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 0.00 148 G 9.20 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 0.00 0.00 0.00 149 T 7.90 4.81 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 1.48 0.00 0.00 150 S 9.33 4.36 0.00 3.82 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 0.00 151 Y 8.78 4.89 0.00 2.95 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 0.00 152 P 0.00 4.65 0.00 2.43 2.09 0.00 4.05 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 2.16 2.02 0.00 153 D 8.66 4.86 0.00 2.68 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 0.00 154 V 7.71 5.21 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 1.07 0.00 0.00 0.98 0.00 0.00 155 L 8.31 3.24 0.00 1.42 1.26 -0.58 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.13 4.81 0.00 1.70 1.49 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.46 7.81 157 C 8.59 5.26 0.00 1.35 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 8.71 5.02 0.00 1.70 1.46 1.05 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.99 5.16 0.00 1.81 1.81 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.53 1.69 7.81 160 A 8.90 4.73 1.15 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 0.00 161 P 0.00 5.04 0.00 2.04 2.11 0.00 3.01 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 162 I 8.35 4.38 1.90 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.49 0.82 0.00 0.00 163 L 8.73 4.82 0.00 1.55 1.61 0.93 0.76 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 0.00 164 S 8.05 4.37 0.00 4.00 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 0.00 165 D 8.67 4.48 0.00 2.73 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 S 8.01 4.13 0.00 4.06 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 S 7.81 4.13 0.00 4.07 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 0.00 168 C 8.26 4.31 0.00 3.23 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 0.00 169 K 8.14 4.00 0.00 1.85 1.91 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.69 7.81 170 S 8.16 4.28 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 0.00 171 A 7.98 4.11 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 0.00 172 Y 7.79 4.74 0.00 3.16 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 0.00 173 P 0.00 4.42 0.00 2.09 2.06 0.00 3.89 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 2.05 2.13 0.00 174 G 9.05 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 0.00 175 Q 8.08 4.58 0.00 2.29 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.12 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.54 0.00 176 I 7.94 4.30 1.97 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 1.80 0.90 0.99 0.00 0.00 177 T 8.21 4.61 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 1.26 0.00 0.00 178 S 8.58 4.38 0.00 4.01 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 0.00 179 N 8.14 5.03 0.00 2.85 3.09 0.00 0.00 6.64 8.65 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 0.00 180 M 7.97 5.64 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 181 F 8.77 5.11 0.00 3.08 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 C 9.07 5.35 0.00 2.99 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 0.00 183 A 9.24 5.05 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 0.00 184 G 6.89 3.94 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 0.00 0.00 0.00 184A Y 8.20 4.70 0.00 3.06 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 0.00 185 L 8.65 4.18 0.00 1.74 1.89 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.24 4.05 0.00 1.98 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 0.00 2.35 2.41 0.00 187 G 7.65 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 0.00 0.00 0.00 188 G 9.28 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 0.00 0.00 0.00 188A K 7.39 5.08 0.00 1.61 1.76 0.00 0.95 0.00 0.00 1.46 0.00 0.00 2.55 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.38 1.20 7.81 189 D 8.59 4.62 0.00 2.81 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 S 8.84 4.75 0.00 4.00 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 0.00 191 C 9.24 4.70 0.00 2.93 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 0.00 192 Q 8.68 4.27 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.49 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 193 G 9.27 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 0.00 194 D 8.54 4.70 0.00 2.98 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 0.00 195 S 8.08 4.39 0.00 3.99 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 G 8.93 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 0.00 197 G 8.02 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 0.00 198 P 0.00 5.11 0.00 2.35 2.37 0.00 3.68 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 2.18 2.17 0.00 199 V 8.48 4.48 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.52 0.00 0.00 200 V 8.59 4.76 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 0.88 0.00 0.00 0.74 0.00 0.00 201 C 8.59 5.07 0.00 2.80 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 0.00 202 S 9.75 3.53 0.00 3.97 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 G 8.51 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 0.00 0.00 0.00 204 K 7.62 4.67 0.00 1.72 1.64 0.00 1.87 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.39 7.81 *209 L 8.21 4.30 0.00 1.52 1.63 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 8.86 4.52 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.36 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 211 G 7.96 5.22 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 0.00 212 I 8.19 5.30 1.93 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 1.30 0.81 0.98 0.00 0.00 213 V 9.00 3.76 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 1.00 0.00 0.00 1.24 0.00 0.00 214 S 8.49 4.83 0.00 3.93 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 0.00 215 W 7.36 4.92 0.00 3.39 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 0.00 216 G 8.45 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 0.00 217 S 8.78 4.62 0.00 4.39 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 *219 G 7.94 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 0.00 220 C 8.11 4.91 0.00 2.94 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 0.00 221 A 9.03 4.07 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 221A Q 7.34 4.48 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 222 K 8.38 4.17 0.00 1.72 1.71 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.60 7.81 223 N 9.33 4.31 0.00 2.81 2.84 0.00 0.00 6.81 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 0.00 224 K 7.47 4.27 0.00 1.63 1.75 0.00 1.40 0.00 0.00 1.16 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.45 7.81 225 P 0.00 4.57 0.00 2.12 2.10 0.00 3.72 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 2.13 2.01 0.00 226 G 8.41 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 0.00 227 V 7.72 4.33 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 0.48 0.00 0.00 -0.83 0.00 0.00 228 Y 8.22 4.98 0.00 1.43 2.44 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 0.00 229 T 8.47 4.42 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 1.22 0.00 0.00 230 K 9.49 4.73 0.00 2.11 1.94 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.61 7.81 231 V 8.84 3.95 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 1.08 0.00 0.00 1.16 0.00 0.00 232 C 8.39 4.51 0.00 3.16 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 N 7.87 4.19 0.00 2.25 2.41 0.00 0.00 6.86 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 Y 8.11 4.76 0.00 3.21 3.27 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 0.00 235 V 7.91 3.67 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 1.16 0.00 0.00 1.08 0.00 0.00 236 S 8.08 4.11 0.00 3.98 3.94 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 0.00 237 W 8.33 4.24 0.00 3.50 3.61 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 0.00 238 I 8.19 3.05 2.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.93 0.73 0.00 0.00 239 K 8.12 3.71 0.00 1.72 1.78 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.59 7.81 240 Q 7.79 3.89 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 241 T 7.39 3.75 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 242 I 6.86 2.49 1.53 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.27 0.49 0.00 0.00 243 A 7.63 4.16 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 0.00 244 S 7.39 4.70 0.00 3.79 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 0.00 245 N 8.01 4.70 0.00 3.01 2.97 0.00 0.00 6.89 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.