NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2757 8.3044 120.3478 54.0290 34.3516 174.8359 2 D 4.1177 8.1016 114.8887 52.8902 39.1034 170.1316 3 P 4.4096 0.0000 0.0000 61.6695 33.5501 176.3595 4 V 4.0282 8.2391 120.5726 63.7464 31.2664 175.8882 5 V 4.2710 9.0410 121.0987 61.8438 33.6571 176.1148 6 L 4.5511 7.6128 122.2370 53.5371 45.5786 174.2097 7 S 5.2142 8.8247 121.1728 56.7775 64.0863 172.6277 8 Y 4.7442 9.0756 128.6553 57.0006 42.2191 175.2205 9 M 2.8646 7.9765 127.9789 57.0669 31.1463 177.2659 10 D 4.8819 8.9274 126.1107 54.9616 40.6888 175.5703 11 S 4.9172 8.7355 116.9196 56.8420 64.6643 172.9143 12 L 5.2540 8.4631 123.6380 52.9595 44.1200 175.6000 13 L 4.7722 9.0483 124.2618 53.1006 44.2546 176.6070 14 R 4.6845 8.9035 122.8795 54.7975 32.3240 177.3714 15 Q 3.9202 8.8231 121.3404 59.6325 28.6410 178.7670 16 S 4.1056 8.5829 114.5348 61.5373 63.2209 176.1629 17 D 4.4554 7.8370 121.8386 57.2950 40.7747 178.6884 18 V 3.5564 7.7290 118.6838 66.0841 31.4387 178.1856 19 S 4.1943 8.4290 115.1017 61.2419 62.3776 176.3842 20 L 4.1218 7.5376 120.4819 56.9710 41.3962 178.6384 21 L 4.2140 7.7112 117.7605 55.1843 42.0867 176.5853 22 D 4.5885 7.7376 121.0160 52.6243 41.5461 174.4605 23 P 4.4465 0.0000 0.0000 62.2694 31.8598 173.9816 24 P 3.3918 0.0000 0.0000 62.2336 31.7190 176.1650 25 S 4.3793 7.5413 114.7460 59.3002 63.2792 174.3796 26 W 4.8995 8.7470 122.5987 55.3486 30.0541 176.3273 27 L 4.4139 8.4297 120.9977 54.2287 42.4198 176.2873 28 N 5.3801 8.1479 118.6292 50.9581 41.4577 175.0501 29 D 4.3465 9.5867 119.8756 56.4366 39.2685 178.2155 30 H 4.2625 8.1054 117.7939 58.9874 28.6743 177.5360 31 I 3.7124 8.0680 121.4212 64.4318 36.8982 178.6327 32 I 3.3355 7.3762 120.7219 63.9533 36.7244 178.6907 33 G 3.6160 8.3244 106.9061 47.7655 0.0000 175.3297 34 F 4.3015 8.6890 124.7137 60.3971 39.4096 177.0549 35 A 3.0900 7.8811 120.3561 54.7705 17.8618 179.6609 36 F 4.2387 8.3250 116.4703 60.8789 38.9623 177.8142 37 E 4.0982 8.5048 118.3525 59.3869 29.2340 178.8696 38 Y 4.0388 8.1023 121.4424 59.9806 38.7853 177.6992 39 F 4.3956 8.1992 118.8278 60.6631 39.0527 177.5271 40 A 4.1820 8.0098 120.4118 54.8748 18.1043 178.6254 41 N 4.9324 8.3217 111.7724 54.1883 39.7658 175.0507 42 S 4.2203 7.5523 113.4163 58.9054 65.4624 175.0656 43 Q 3.5783 7.4448 123.5715 58.5347 29.3569 178.6155 44 F 4.9068 7.7971 116.4114 56.8157 39.8438 177.2960 45 H 4.2742 8.3662 122.3114 58.7281 29.6621 175.6752 46 D 4.5746 8.0980 115.2905 54.6792 39.7143 176.5087 47 S 4.5770 8.1172 116.3443 58.3077 63.2556 175.9314 48 S 4.2187 7.8708 116.0912 60.7129 62.9194 175.2065 49 D 4.3777 7.9040 120.1201 56.5710 40.9145 176.2040 50 H 5.0755 8.2800 114.6471 55.2537 30.9599 174.1730 51 V 5.0264 7.5790 116.8274 59.8867 34.7364 174.6337 52 S 4.6438 8.8433 117.0748 56.5945 65.4954 172.5210 53 F 5.0676 8.9989 125.8808 55.8800 39.9215 175.2944 54 I 4.4312 9.2982 126.6556 60.6214 37.8387 176.9446 55 S 4.5878 8.9839 121.2985 57.4446 64.1350 173.1826 56 P 4.4713 0.0000 0.0000 66.0480 30.9718 178.5498 57 E 4.0420 8.2885 117.4644 59.3820 29.6526 178.9886 58 V 3.9891 8.1842 118.2678 66.4720 31.5522 178.0412 59 T 4.0146 8.6678 115.9606 66.8411 68.2614 176.2800 60 Q 4.0294 8.4328 121.4547 58.6771 28.9291 177.7401 61 F 3.9652 8.2989 121.9636 61.3355 39.1513 176.8898 62 I 3.6128 7.7614 118.0427 64.6614 37.0000 178.2269 63 K 4.0748 7.5322 117.9427 59.2775 31.9971 178.5647 64 C 4.2376 7.6547 114.5706 59.6998 28.7496 173.5850 65 T 4.2928 6.6320 117.6460 61.7477 69.8839 174.4988 66 S 4.3031 8.3388 121.0467 60.1228 64.2506 174.6991 67 N 4.4997 7.8203 119.2958 52.3779 39.4141 173.3784 68 P 4.2713 0.0000 0.0000 65.8382 31.6079 178.5143 69 A 4.2793 8.1260 118.9360 54.9696 17.7553 179.2097 70 E 4.0398 8.2378 117.7326 59.3957 29.7527 178.9961 71 I 3.9729 8.0168 119.6631 64.4636 37.1743 177.7987 72 A 4.1783 8.6306 121.8439 55.9501 18.0651 179.4276 73 M 4.1083 8.6239 114.8882 57.9853 32.3318 177.3478 74 F 4.3118 7.7509 118.5904 59.8119 40.2096 176.5709 75 L 4.2842 7.7980 117.5942 55.0170 42.0016 178.1504 76 E 4.1423 8.2607 118.7788 59.5558 29.0117 177.7522 77 P 4.3271 0.0000 0.0000 64.6341 31.4453 177.9616 78 L 4.1194 7.8103 116.5556 54.7562 42.5235 175.9930 79 D 4.4546 8.2291 117.8335 54.8571 40.3947 175.2434 80 L 4.1344 8.1101 119.4978 57.3957 42.1806 178.1961 81 P 4.2952 0.0000 0.0000 65.0994 31.2931 176.5733 82 N 4.8964 7.9488 113.0161 52.6379 38.7078 174.2626 83 K 4.6510 7.6656 118.0996 54.6355 34.1546 177.0018 84 R 4.0983 8.6472 122.4060 58.7655 31.3548 176.9780 85 V 4.5416 7.5378 117.7114 61.0328 35.3622 174.1157 86 V 4.7140 8.4299 126.6368 61.1141 34.8623 173.8549 87 F 5.5632 9.2575 126.6239 55.7992 41.8803 174.5361 88 L 5.5516 9.4772 122.3204 53.0731 45.5582 175.3539 89 A 5.0362 9.1715 125.8736 51.3874 19.8512 176.3974 90 I 4.5199 9.6858 125.7493 60.1324 38.9004 175.3853 91 N 5.0858 8.7008 124.5108 50.0359 39.7095 173.9804 92 D 4.3010 7.9272 115.9992 52.9341 39.9517 177.4836 93 N 4.2105 8.9176 115.1449 53.8727 37.6507 174.8484 94 S 4.1964 7.7366 113.6046 57.4258 64.0419 173.1236 95 N 4.5696 8.4225 120.0512 53.4628 39.0268 175.6822 96 Q 4.0959 9.0701 125.0579 58.4055 29.0223 178.5597 97 A 4.1009 8.0358 118.4957 53.9709 18.6083 177.8579 98 A 3.9928 7.8172 117.8975 52.5216 18.5539 178.0959 99 G 3.4707 7.7787 103.2236 46.2065 0.0000 174.5591 100 G 3.0358 7.2713 104.1953 44.0649 0.0000 173.5283 101 S 4.5630 7.4007 116.6166 57.9951 63.3906 172.5155 102 H 5.0334 9.3544 126.4936 55.2928 30.9905 173.8435 103 W 5.4066 8.8177 125.1624 55.1514 31.6969 174.9135 104 S 4.9525 9.6567 117.4053 57.0772 67.1465 172.0171 105 L 5.4488 9.3034 122.3618 53.3292 44.4416 174.4731 106 L 5.4886 9.4844 128.5889 53.4141 44.8563 174.9187 107 V 4.8214 9.3524 126.2020 61.3253 34.7461 173.2272 108 Y 4.7392 8.9709 129.7362 56.1048 40.6267 173.9111 109 L 4.0959 7.7505 126.8102 52.6758 43.9417 177.2198 110 Q 3.5785 8.3990 126.3308 59.1168 29.1800 178.2641 111 D 4.3678 7.7268 115.6715 56.1599 40.9847 176.8976 112 K 4.2949 7.6703 115.6319 55.1558 33.5699 175.0640 113 N 4.1324 7.3381 115.8898 53.0697 37.9718 173.2962 114 S 4.8799 7.3790 111.1321 56.9874 68.3705 174.1739 115 F 5.2545 9.1066 120.9098 56.0076 41.4446 174.9180 116 F 4.9104 9.6155 121.1863 55.7979 42.5019 173.4070 117 H 5.3941 9.2957 123.8380 54.6860 32.2486 172.3241 118 Y 4.7498 9.5361 124.6535 56.5322 39.7211 174.0546 119 D 5.2169 8.3660 125.1188 51.9028 43.2712 176.4513 120 S 4.6242 8.7982 118.1337 58.6304 62.8703 172.6542 121 H 4.9083 8.2386 120.3149 54.8097 32.7375 173.3303 122 S 4.1704 8.9333 115.2399 58.4526 62.5201 175.2446 123 R 4.5330 8.4025 115.6146 58.2971 27.5203 178.7551 124 S 4.1220 7.5524 115.0723 61.2950 63.0551 174.8685 125 N 4.8585 8.9371 116.8100 53.5641 39.0137 176.9502 126 S 4.2786 8.2705 116.5558 61.5958 62.8052 176.6172 127 V 3.4150 7.6172 120.3168 66.3575 31.3488 177.7333 128 H 4.1855 7.8729 115.1435 58.7579 28.5725 177.5099 129 A 4.1072 8.5529 123.0124 55.0992 18.1733 179.9228 130 K 3.2599 7.9568 117.1047 59.1343 31.8781 179.1004 131 Q 4.0699 7.7223 121.2860 58.5757 28.8043 179.0992 132 V 3.5269 7.5883 118.1422 65.8349 31.6252 177.6196 133 A 3.2553 7.9831 120.7120 54.9941 17.7551 179.2268 134 E 3.7539 8.2175 117.2437 59.6363 29.5079 179.8428 135 K 4.0373 7.6805 118.1166 59.6102 32.0864 179.4691 136 L 4.1595 8.2291 119.3990 57.6008 41.0532 179.2765 137 E 4.0046 8.7654 119.6104 59.2343 29.4512 178.2253 138 A 4.0427 8.4742 121.2145 55.4986 18.1479 179.2758 139 F 4.2286 8.2064 117.2869 61.5990 39.7103 177.2012 140 L 3.8334 8.1504 116.4858 57.2101 41.8680 179.1744 141 G 3.7896 7.8761 108.7725 47.8889 0.0000 172.8508 *142 R 3.9960 8.1176 121.4267 55.7561 26.3511 175.7871 *147 L 4.1549 8.8025 119.4619 56.0490 42.3302 175.2951 148 A 4.4719 8.5615 128.8953 51.0243 19.6608 175.5866 149 F 5.0091 8.7504 123.9613 57.2701 42.0885 174.2009 150 V 4.1856 8.2704 127.3848 60.8605 33.6215 174.1325 151 E 4.3549 8.7477 129.7897 55.5269 29.7680 175.6169 152 E 4.1422 8.6882 128.0508 55.3656 30.6103 177.3267 153 K 3.9852 8.7019 124.2696 56.4956 31.6103 175.6674 154 A 4.9505 8.0971 128.7115 49.0508 21.6529 174.0418 155 P 4.0087 0.0000 0.0000 63.2753 31.8152 175.3836 156 A 4.5748 8.3286 126.2908 50.0278 19.1432 176.6889 157 Q 3.8455 7.5537 120.7654 56.8269 28.8309 176.8465 158 Q 4.4224 8.5541 119.0402 55.4786 29.0983 174.3257 159 N 4.8102 7.1968 114.7669 51.3808 40.0178 174.4060 160 S 4.2987 8.3151 111.8962 59.5101 63.1891 174.0161 161 Y 2.4741 7.4146 117.9654 55.4750 39.0611 176.1386 162 D 4.7773 7.4198 120.1229 54.5505 41.2214 177.3385 163 C 4.5435 7.3948 118.4716 61.0008 29.4577 176.1277 164 G 3.4380 8.1693 107.5048 47.5738 0.0000 175.5120 165 M 3.9722 7.9229 120.5361 58.4024 31.4956 178.2119 166 Y 4.0355 8.0447 117.0381 60.8539 38.0205 178.6604 167 V 3.7974 7.9643 119.2272 66.1876 31.6712 178.2581 168 I 3.9763 7.8212 119.3630 64.8270 36.9124 178.3554 169 C 4.4200 8.6842 117.9632 62.6227 27.8444 175.8463 170 N 4.2266 8.8691 118.7006 56.5735 38.1118 177.2954 171 T 3.2410 7.8388 116.9083 66.4424 68.4436 176.0349 172 E 3.4942 7.9097 120.5899 59.3174 29.6948 178.8138 173 A 3.9266 8.1001 120.7461 55.0495 18.2882 179.6604 174 L 3.2718 7.8771 117.8962 57.7140 41.5690 179.3338 175 C 3.7390 7.8686 117.0843 62.6820 27.8525 176.1520 176 Q 4.1236 8.1416 119.8121 59.1223 28.1017 178.7648 177 N 4.4815 7.3844 117.4075 55.7640 38.6060 177.3120 178 F 4.4153 7.5100 118.1874 59.9770 39.0603 176.9464 179 F 5.1319 8.1656 114.1077 57.1980 40.1738 176.4340 180 R 4.5618 7.9592 116.6093 55.2612 30.5789 176.3963 181 Q 4.0460 8.2367 114.7116 56.8462 25.9654 173.7825 182 Q 4.3477 7.3864 116.9498 56.2779 29.2664 176.0648 183 T 4.4295 7.8947 107.4327 61.4127 69.3299 173.9458 184 E 4.0560 8.1278 121.5561 57.1004 30.3164 177.2544 185 S 4.3768 8.3167 116.8343 57.3989 63.5257 174.9357 186 L 3.9219 8.4957 129.5507 58.0850 41.3329 179.5072 187 L 4.0294 7.8359 117.1427 57.6710 41.6432 178.7677 188 Q 4.1011 7.6689 118.4122 58.4458 29.1165 177.2484 189 L 3.9925 7.8287 120.6953 56.6351 43.6237 177.4739 190 L 4.3264 7.5661 120.2399 53.7328 40.2098 176.7012 191 T 4.5382 7.4465 113.3165 59.8316 72.1935 174.0129 192 P 4.2857 0.0000 0.0000 65.7235 31.3450 178.6280 193 A 4.0051 8.1304 119.0891 55.4026 18.1825 178.9303 194 Y 3.9533 7.9570 117.2525 60.9602 38.9558 178.0717 195 I 3.5339 7.9205 120.7692 64.8452 36.8256 178.5614 196 T 3.9004 8.1113 116.4772 66.4881 68.1640 176.9229 197 K 3.9872 8.1182 120.4431 59.4504 31.9906 179.6209 198 K 3.8627 8.2163 119.0617 59.1757 31.8364 179.5330 199 R 4.0664 8.0778 118.8159 59.4092 29.9588 179.3254 200 G 3.5963 7.7654 104.0442 47.6782 0.0000 175.6948 201 E 3.8352 8.2998 121.0905 58.9458 29.3532 179.4789 202 W 3.8165 8.4310 119.2933 59.4655 29.0650 178.5571 203 K 3.8756 8.1115 118.4787 59.7005 31.4479 178.9905 204 D 4.2618 8.1730 119.0117 57.1411 40.6783 178.4382 205 L 3.7035 7.8212 120.8513 58.3310 41.9787 178.9764 206 I 3.4896 7.8072 119.3844 64.2704 36.7790 178.1972 207 A 3.9154 7.7748 120.2504 55.5791 18.5513 179.4905 208 T 3.9314 8.0445 114.3872 66.8441 68.3086 176.9641 209 L 4.1174 8.1427 119.7990 57.3573 41.6996 178.6557 210 A 4.2494 7.5974 118.4850 51.9374 18.9502 177.1310 211 K 4.3395 7.2402 119.0750 55.4172 34.8190 177.4904 *212 K 4.1054 8.4211 120.6143 55.0084 32.3269 176.3503 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 4.28 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 2 D 8.10 4.12 0.00 2.84 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 P 0.00 4.41 0.00 2.24 2.15 0.00 3.74 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 2.05 1.93 0.00 4 V 8.24 4.03 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 0.84 0.00 0.00 0.92 0.00 0.00 5 V 9.04 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 0.77 0.00 0.00 0.90 0.00 0.00 6 L 7.61 4.55 0.00 1.58 1.28 0.98 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.82 5.21 0.00 3.92 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 8 Y 9.08 4.74 0.00 3.07 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 9 M 7.98 2.86 0.00 2.11 1.01 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.96 0.00 10 D 8.93 4.88 0.00 2.80 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 11 S 8.74 4.92 0.00 4.30 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 12 L 8.46 5.25 0.00 1.48 1.54 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 13 L 9.05 4.77 0.00 1.34 1.40 0.09 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.90 4.68 0.00 1.83 2.06 0.00 3.10 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 15 Q 8.82 3.92 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 16 S 8.58 4.11 0.00 4.03 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 17 D 7.84 4.46 0.00 2.78 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 18 V 7.73 3.56 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 0.96 0.00 0.00 0.87 0.00 0.00 19 S 8.43 4.19 0.00 4.02 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 0.00 20 L 7.54 4.12 0.00 1.74 1.96 1.05 0.96 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 21 L 7.71 4.21 0.00 1.77 1.72 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.74 4.59 0.00 2.76 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 23 P 0.00 4.45 0.00 1.97 1.94 0.00 3.63 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 24 P 0.00 3.39 0.00 1.59 1.61 0.00 3.64 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.84 0.00 25 S 7.54 4.38 0.00 4.10 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 26 W 8.75 4.90 0.00 3.29 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 27 L 8.43 4.41 0.00 1.40 1.40 0.67 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.15 5.38 0.00 3.13 3.03 0.00 0.00 5.79 8.07 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 29 D 9.59 4.35 0.00 3.05 3.44 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 30 H 8.11 4.26 0.00 3.39 3.39 0.00 5.64 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 31 I 8.07 3.71 1.73 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 1.64 0.84 0.70 0.00 0.00 32 I 7.38 3.34 1.13 0.00 0.00 -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 0.69 -0.06 0.13 0.00 0.00 33 G 8.32 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 F 8.69 4.30 0.00 3.20 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 35 A 7.88 3.09 0.33 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 36 F 8.32 4.24 0.00 3.26 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 37 E 8.50 4.10 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.65 0.00 38 Y 8.10 4.04 0.00 2.01 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 F 8.20 4.40 0.00 2.01 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.01 4.18 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.32 4.93 0.00 2.85 2.82 0.00 0.00 6.77 7.12 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 42 S 7.55 4.22 0.00 3.58 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 43 Q 7.44 3.58 0.00 1.99 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.20 0.00 0.00 0.00 0.00 0.00 1.26 2.04 0.00 44 F 7.80 4.91 0.00 3.43 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 45 H 8.37 4.27 0.00 3.25 3.31 0.00 5.79 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 46 D 8.10 4.57 0.00 2.85 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 47 S 8.12 4.58 0.00 3.83 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 48 S 7.87 4.22 0.00 3.97 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 49 D 7.90 4.38 0.00 2.27 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.28 5.08 0.00 2.88 3.37 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 51 V 7.58 5.03 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.57 0.00 0.00 52 S 8.84 4.64 0.00 3.89 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 9.00 5.07 0.00 3.05 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 54 I 9.30 4.43 2.25 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.93 1.12 0.00 0.00 55 S 8.98 4.59 0.00 4.16 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.47 0.00 2.29 2.34 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 2.32 2.14 0.00 57 E 8.29 4.04 0.00 2.15 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 0.00 2.52 2.49 0.00 58 V 8.18 3.99 2.40 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 1.24 0.00 0.00 1.10 0.00 0.00 59 T 8.67 4.01 4.41 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 1.42 0.00 0.00 60 Q 8.43 4.03 0.00 2.43 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 61 F 8.30 3.97 0.00 2.86 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.76 3.61 2.11 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.93 0.92 0.00 0.00 63 K 7.53 4.07 0.00 1.85 1.82 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.62 7.81 64 C 7.65 4.24 0.00 2.76 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 65 T 6.63 4.29 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 0.86 0.00 0.00 66 S 8.34 4.30 0.00 3.79 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 67 N 7.82 4.50 0.00 2.74 2.84 0.00 0.00 7.22 7.71 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 68 P 0.00 4.27 0.00 2.24 2.13 0.00 3.67 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 69 A 8.13 4.28 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.24 4.04 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 71 I 8.02 3.97 2.08 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 1.38 0.32 0.91 0.00 0.00 72 A 8.63 4.18 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 0.00 0.00 0.00 0.00 0.00 73 M 8.62 4.11 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.71 0.00 74 F 7.75 4.31 0.00 3.17 3.32 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 75 L 7.80 4.28 0.00 0.86 1.16 0.40 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.26 4.14 0.00 2.26 2.40 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 2.54 2.39 0.00 77 P 0.00 4.33 0.00 1.93 2.10 0.00 3.60 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.12 0.00 78 L 7.81 4.12 0.00 1.76 1.76 0.95 1.06 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 79 D 8.23 4.45 0.00 2.90 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.11 4.13 0.00 2.04 1.86 1.02 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.30 0.00 2.03 2.09 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 82 N 7.95 4.90 0.00 3.17 2.81 0.00 0.00 6.88 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.67 4.65 0.00 1.79 1.71 0.00 1.81 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.59 1.55 7.81 84 R 8.65 4.10 0.00 1.99 1.85 0.00 3.08 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 85 V 7.54 4.54 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 0.36 0.00 0.00 0.33 0.00 0.00 86 V 8.43 4.71 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.02 0.00 0.00 87 F 9.26 5.56 0.00 2.76 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 88 L 9.48 5.55 0.00 1.88 1.79 1.19 1.19 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 89 A 9.17 5.04 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 9.69 4.52 2.08 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.08 0.99 0.00 0.00 91 N 8.70 5.09 0.00 1.45 1.42 0.00 0.00 6.34 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 92 D 7.93 4.30 0.00 2.60 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 93 N 8.92 4.21 0.00 2.74 2.93 0.00 0.00 6.89 7.53 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 94 S 7.74 4.20 0.00 3.92 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 95 N 8.42 4.57 0.00 2.77 2.69 0.00 0.00 6.90 7.11 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 96 Q 9.07 4.10 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.71 0.00 0.00 0.00 0.00 0.00 2.59 2.34 0.00 97 A 8.04 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 98 A 7.82 3.99 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 99 G 7.78 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 G 7.27 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 0.00 0.00 0.00 101 S 7.40 4.56 0.00 3.99 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 H 9.35 5.03 0.00 3.46 3.36 0.00 5.73 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 W 8.82 5.41 0.00 3.22 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 0.00 104 S 9.66 4.95 0.00 4.17 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 0.00 105 L 9.30 5.45 0.00 2.05 1.88 1.53 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 106 L 9.48 5.49 0.00 2.05 1.79 1.20 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 107 V 9.35 4.82 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 0.63 0.00 0.00 1.30 0.00 0.00 108 Y 8.97 4.74 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 7.75 4.10 0.00 1.43 1.16 0.35 -0.10 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 0.00 110 Q 8.40 3.58 0.00 2.16 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 111 D 7.73 4.37 0.00 2.49 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 0.00 112 K 7.67 4.29 0.00 1.75 1.88 0.00 1.76 0.00 0.00 1.55 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.27 7.81 113 N 7.34 4.13 0.00 2.78 2.82 0.00 0.00 6.91 7.34 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 0.00 114 S 7.38 4.88 0.00 3.36 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 0.00 115 F 9.11 5.25 0.00 2.96 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 F 9.62 4.91 0.00 3.01 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 0.00 117 H 9.30 5.39 0.00 2.76 2.91 0.00 5.56 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 0.00 118 Y 9.54 4.75 0.00 3.03 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 0.00 119 D 8.37 5.22 0.00 2.52 2.53 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 0.00 0.00 0.00 0.00 120 S 8.80 4.62 0.00 3.49 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 0.00 121 H 8.24 4.91 0.00 3.07 3.11 0.00 5.78 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 S 8.93 4.17 0.00 4.01 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 0.00 123 R 8.40 4.53 0.00 2.09 2.12 0.00 3.17 0.00 0.00 3.44 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.64 0.00 124 S 7.55 4.12 0.00 3.98 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 0.00 125 N 8.94 4.86 0.00 3.31 3.08 0.00 0.00 6.90 8.40 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 0.00 126 S 8.27 4.28 0.00 3.96 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 0.00 127 V 7.62 3.42 1.82 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 0.92 0.00 0.00 0.83 0.00 0.00 128 H 7.87 4.19 0.00 3.32 3.29 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.55 4.11 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 0.00 130 K 7.96 3.26 0.00 1.47 1.37 0.00 1.20 0.00 0.00 1.18 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.30 0.65 7.81 131 Q 7.72 4.07 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.22 0.00 132 V 7.59 3.53 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.02 0.00 0.00 133 A 7.98 3.26 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.22 3.75 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 135 K 7.68 4.04 0.00 1.88 1.86 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.44 7.81 136 L 8.23 4.16 0.00 2.07 1.95 1.18 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.77 4.00 0.00 2.21 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 2.38 2.48 0.00 138 A 8.47 4.04 1.45 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 0.00 0.00 139 F 8.21 4.23 0.00 3.03 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 0.00 140 L 8.15 3.83 0.00 1.50 1.58 0.34 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 141 G 7.88 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *142 R 8.12 4.00 0.00 1.97 1.13 0.00 3.30 0.00 0.00 3.15 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.15 0.00 *147 L 8.80 4.15 0.00 1.78 1.68 1.00 0.96 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 0.00 148 A 8.56 4.47 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 0.00 149 F 8.75 5.01 0.00 2.99 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 0.00 150 V 8.27 4.19 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.69 0.00 0.00 151 E 8.75 4.35 0.00 2.10 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 2.34 2.41 0.00 152 E 8.69 4.14 0.00 1.16 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.71 0.00 153 K 8.70 3.99 0.00 1.71 1.78 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.44 7.81 154 A 8.10 4.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 P 0.00 4.01 0.00 2.44 2.43 0.00 3.79 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 2.28 2.27 0.00 156 A 8.33 4.57 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 0.00 157 Q 7.55 3.85 0.00 2.06 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.09 0.00 158 Q 8.55 4.42 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 159 N 7.20 4.81 0.00 2.19 2.44 0.00 0.00 6.20 7.64 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 0.00 160 S 8.32 4.30 0.00 4.40 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 Y 7.41 2.47 0.00 2.49 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 D 7.42 4.78 0.00 2.69 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 0.00 163 C 7.39 4.54 0.00 3.47 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 G 8.17 3.44 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 0.00 165 M 7.92 3.97 0.00 1.85 2.14 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.49 0.00 166 Y 8.04 4.04 0.00 3.23 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 0.00 167 V 7.96 3.80 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 1.19 0.00 0.00 1.20 0.00 0.00 168 I 7.82 3.98 1.80 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.41 0.60 0.00 0.00 169 C 8.68 4.42 0.00 3.01 3.14 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 0.00 170 N 8.87 4.23 0.00 2.86 2.62 0.00 0.00 6.96 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 0.00 171 T 7.84 3.24 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 -0.07 0.00 0.00 172 E 7.91 3.49 0.00 2.33 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 0.00 2.48 2.79 0.00 173 A 8.10 3.93 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 0.00 174 L 7.88 3.27 0.00 1.66 1.07 0.62 0.77 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 0.00 175 C 7.87 3.74 0.00 2.32 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 0.00 176 Q 8.14 4.12 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.74 2.62 0.00 177 N 7.38 4.48 0.00 2.29 2.66 0.00 0.00 6.99 7.61 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 0.00 178 F 7.51 4.42 0.00 1.83 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 0.00 0.00 0.00 179 F 8.17 5.13 0.00 3.20 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 0.00 180 R 7.96 4.56 0.00 2.08 1.99 0.00 3.58 0.00 0.00 3.40 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.15 0.00 181 Q 8.24 4.05 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 7.05 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 182 Q 7.39 4.35 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.92 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 183 T 7.89 4.43 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 184 E 8.13 4.06 0.00 1.93 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 2.30 2.33 0.00 185 S 8.32 4.38 0.00 3.92 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 0.00 186 L 8.50 3.92 0.00 1.78 1.75 0.80 0.55 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 0.00 187 L 7.84 4.03 0.00 1.62 1.75 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 188 Q 7.67 4.10 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 189 L 7.83 3.99 0.00 1.50 1.51 0.59 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 190 L 7.57 4.33 0.00 1.94 1.82 1.02 0.93 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 0.00 191 T 7.45 4.54 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 192 P 0.00 4.29 0.00 2.22 2.19 0.00 3.67 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.33 0.00 193 A 8.13 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 Y 7.96 3.95 0.00 3.07 3.14 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 0.00 195 I 7.92 3.53 1.85 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 -0.20 0.71 0.00 0.00 196 T 8.11 3.90 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 197 K 8.12 3.99 0.00 1.76 1.71 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.60 7.81 198 K 8.22 3.86 0.00 1.75 1.94 0.00 1.61 0.00 0.00 1.48 0.00 0.00 2.57 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.75 1.22 7.81 199 R 8.08 4.07 0.00 2.10 2.15 0.00 3.16 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 200 G 7.77 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 E 8.30 3.84 0.00 1.99 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 0.00 2.19 2.43 0.00 202 W 8.43 3.82 0.00 3.31 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 0.00 203 K 8.11 3.88 0.00 1.97 1.83 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.70 7.81 204 D 8.17 4.26 0.00 2.73 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 L 7.82 3.70 0.00 1.40 1.57 0.58 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 206 I 7.81 3.49 1.89 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.02 0.69 0.00 0.00 207 A 7.77 3.92 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 0.00 208 T 8.04 3.93 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 1.19 0.00 0.00 209 L 8.14 4.12 0.00 1.71 1.85 0.84 0.92 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 0.00 210 A 7.60 4.25 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 K 7.24 4.34 0.00 1.87 1.79 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.35 7.81 *212 K 8.42 4.11 0.00 1.54 1.66 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.