NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2522 7.8827 121.4478 61.2330 38.6199 173.8017 17 V 4.2819 8.7037 126.4346 61.9302 32.5751 174.5688 18 G 3.9369 8.4760 114.0906 46.7175 0.0000 173.5685 19 G 4.2393 7.7547 110.2101 44.4773 0.0000 172.7817 20 Y 4.9707 8.1181 117.7369 55.2882 42.2129 175.0706 21 T 4.1084 8.5769 117.5036 63.9692 68.4290 175.1147 22 C 4.1751 8.5257 125.5325 59.9777 35.0192 175.4950 23 G 4.0405 8.3955 105.6099 44.6789 0.0000 172.6859 24 A 4.3194 8.4275 125.4703 53.4097 18.6918 177.0140 25 N 4.2670 8.8451 119.4230 54.5499 36.0815 175.3295 26 T 4.2253 7.6206 107.4534 62.5846 69.8303 175.2422 27 V 4.0612 7.0361 122.2689 60.2502 31.3477 173.5371 28 P 4.4991 0.0000 0.0000 64.0826 32.1605 178.2623 29 Y 4.9322 6.9001 115.9377 56.9503 38.8335 174.6933 30 Q 4.5443 7.3976 123.5817 56.2751 29.5193 175.5412 31 V 4.8590 9.0413 119.3094 59.6826 35.8411 174.2031 32 S 4.9181 8.7096 117.4765 56.6713 64.5643 172.7380 33 L 4.6470 8.4713 127.7433 53.5525 43.1358 175.0719 34 N 5.8733 8.9823 122.4928 50.0042 42.0147 174.9971 *37 S 4.1988 8.4689 121.1194 58.4058 64.1647 174.5064 38 G 3.9356 8.8313 108.3834 46.2311 0.0000 173.0944 39 Y 4.5060 6.5301 114.6847 56.0651 39.9362 172.8080 40 H 4.4835 8.9569 122.0395 56.6248 30.3154 174.8229 41 F 5.0638 7.9510 119.4272 56.6318 39.4788 173.7987 42 C 4.7755 6.8065 114.8712 56.1453 44.6177 173.6653 43 G 4.2128 8.8192 109.9201 45.9428 0.0000 172.2139 44 G 4.5567 8.1086 105.9044 46.3826 0.0000 172.5833 45 S 5.3904 8.9145 115.6244 56.4202 66.6846 173.7091 46 L 4.7861 9.2156 128.0313 54.9155 42.4293 177.0847 47 I 4.5015 8.6468 119.4226 60.8460 38.7196 174.3280 48 N 4.7338 7.5891 117.4689 52.2171 39.5931 174.9330 49 S 4.2838 8.6857 111.7725 60.6030 63.2644 175.2999 50 Q 4.6091 8.9303 118.9959 55.2671 30.3702 174.8464 51 W 5.5281 8.1420 117.2268 54.7613 33.4890 174.3348 52 V 4.9322 9.1434 123.6699 61.1712 34.3522 174.2047 53 V 4.7191 8.8112 127.2646 62.1424 33.1317 174.9005 54 S 4.8372 9.0376 120.9223 57.4657 66.3651 172.1590 55 A 4.5022 8.5307 121.2607 51.0377 19.7583 178.6022 56 A 3.8414 8.2838 124.3085 55.2436 18.4458 179.2785 57 H 4.5527 8.4179 109.9051 57.5359 28.6797 175.4095 58 C 4.6777 7.8317 117.0751 57.2339 40.5019 173.2859 59 Y 4.2147 7.7289 122.4518 57.8207 38.7175 175.2557 60 K 3.3725 7.1727 123.8828 55.5465 34.9970 174.9390 61 S 4.2830 7.9424 114.5346 58.6195 64.0814 173.3036 62 G 3.7116 8.3967 106.4717 46.7673 0.0000 173.7954 63 I 4.1195 7.5736 119.8896 60.4579 38.9859 175.0035 64 Q 4.6923 8.9477 128.4085 54.3189 31.1989 174.2474 65 V 4.2191 8.7146 127.2631 62.0059 33.4933 174.6684 66 R 5.0737 8.9722 127.2565 54.7560 32.3752 175.0793 67 L 4.7536 9.1238 124.8584 52.7297 44.7673 177.7648 *69 G 3.9987 8.2766 107.6431 45.3556 0.0000 172.6721 70 E 4.3968 8.2208 118.6539 55.4481 29.7606 173.9432 71 D 4.8527 8.0197 118.6468 55.2448 44.5081 174.6402 72 N 4.9795 8.7501 119.9391 53.1567 39.3121 176.0302 73 I 3.8174 8.4490 119.7350 62.1612 37.8385 176.2157 74 N 4.8518 8.6179 117.9661 52.9823 39.1925 174.5875 75 V 4.3426 7.4381 117.9740 60.8256 34.5070 174.8509 76 V 4.1227 8.4765 126.8626 62.6242 31.3237 175.1628 77 E 4.4493 9.3989 127.1678 55.3165 30.6685 176.5667 78 G 3.9186 7.9000 105.5484 45.3936 0.0000 174.2102 79 N 4.9785 8.1371 116.0643 52.8685 40.3512 174.2585 80 E 4.5973 8.1068 118.5607 56.4812 30.7085 176.2473 81 Q 4.4570 8.8089 121.0686 54.1939 32.4183 174.2423 82 F 5.5812 8.8133 122.9553 55.9983 40.9722 175.2974 83 I 4.6403 8.8441 124.8409 59.2872 40.7987 175.5055 84 S 4.6856 8.7615 122.9145 58.3563 64.1032 173.5523 85 A 4.5884 8.6304 125.9144 52.2083 18.2462 177.8535 86 S 4.4471 8.8150 116.5155 59.7537 64.4975 174.2266 87 K 4.5861 7.4851 119.3232 55.5160 35.3632 174.1444 88 S 5.2914 8.7682 120.2417 56.8669 66.5729 173.8314 89 I 4.5846 9.2689 124.2956 59.3686 39.8481 175.0480 90 V 4.0955 8.4542 127.3636 62.4316 32.5081 175.1896 91 H 3.5795 8.7346 126.9323 55.7908 30.0642 174.4152 92 P 4.2670 0.0000 0.0000 65.3557 31.1521 177.1666 93 S 4.6863 7.8954 112.3468 57.9723 62.9460 173.1885 94 Y 4.3658 8.0044 123.2582 57.9198 39.0184 174.5993 95 N 4.7718 8.4313 125.5658 51.4523 40.3903 175.1160 96 S 3.8905 7.7603 119.8712 59.6065 63.8391 175.3636 97 N 4.3397 8.2368 119.2366 56.0356 38.3411 176.2405 98 T 3.9250 7.7952 105.1859 60.9821 69.7410 175.0556 99 L 3.7467 7.8095 120.4643 55.3437 40.0058 173.9259 100 N 4.4092 7.7846 118.1513 54.7986 39.4937 174.5857 101 N 4.8889 8.7023 120.5399 54.3952 35.6884 175.5840 102 D 4.6529 7.8870 117.7074 52.8299 39.7517 174.7352 103 I 4.7839 7.0806 120.7848 59.4777 42.2842 172.8263 104 M 5.4937 9.1012 126.9565 54.4597 36.2582 173.1633 105 L 5.4420 9.3466 125.2480 53.2955 44.9428 175.4583 106 I 5.0343 9.0322 122.8420 59.5138 40.8372 174.2360 107 K 3.8219 8.4472 128.6095 54.5618 33.4744 175.4792 108 L 4.5565 8.4424 127.5446 54.1813 42.4031 178.2847 109 K 4.1577 8.8916 123.1831 58.8502 32.4826 177.4506 110 S 4.6098 7.4212 108.9926 55.8042 66.1235 173.3684 111 A 4.3956 8.4038 123.4014 51.7147 18.6841 177.5136 112 A 4.2444 8.9345 124.7854 51.9280 19.4941 177.1754 113 S 4.3469 9.0933 116.3744 57.8256 62.9454 173.5544 114 L 4.8450 8.3889 127.6460 53.3492 42.5873 175.4984 115 N 4.7567 8.3695 118.8406 52.5080 40.0299 175.0766 116 S 4.2951 8.6149 113.1890 61.0598 63.0486 175.6960 117 R 4.1881 7.4930 118.6946 56.8607 30.5814 176.5032 118 V 4.4909 8.1247 117.4075 60.9238 33.6759 173.7414 119 A 5.1675 8.4896 128.2809 50.3684 22.8466 175.5201 120 S 4.9019 8.7681 114.8764 58.3165 64.4639 173.0231 121 I 4.4227 8.2233 121.5062 59.0542 39.3950 175.5740 122 S 4.3605 8.4306 124.5110 58.5083 63.9335 173.9860 123 L 4.2111 8.3734 123.3210 53.4532 42.3902 175.3035 124 P 4.4678 0.0000 0.0000 63.1130 32.0496 176.3534 125 T 4.1925 8.2646 109.2430 62.3988 70.0946 174.6007 *127 S 4.4934 7.5798 114.7651 57.9473 64.0380 174.2055 128 C 4.3805 8.4521 118.5811 56.8890 40.6538 173.5591 129 A 4.4038 8.0448 125.0150 51.6292 19.6857 177.1321 130 S 4.4865 8.0446 114.9529 56.7552 65.1563 173.6181 *132 A 4.3615 8.2323 124.4984 53.5848 19.2615 177.0949 133 G 3.9906 8.9330 111.1403 45.3256 0.0000 174.2945 134 T 3.9655 7.7530 117.5582 63.8703 69.2988 173.6979 135 Q 4.6331 8.6033 125.4667 55.5747 30.1245 175.7331 136 C 5.2209 9.2551 119.6147 55.2865 46.9915 172.3751 137 L 5.1955 9.1351 122.5162 53.5714 43.9043 174.9985 138 I 5.3421 9.1236 127.4503 58.8445 39.9865 174.8785 139 S 4.8720 8.6576 119.3728 56.4115 66.5168 173.1819 140 G 3.7432 7.4441 107.9793 46.3171 0.0000 172.9199 141 W 4.5919 8.6040 116.9958 56.3346 29.2830 177.0593 142 G 4.1547 8.5578 109.6731 44.2312 0.0000 173.4386 143 N 3.7204 8.5627 118.4478 54.1689 38.9645 174.6958 144 T 5.0763 8.1513 113.1632 60.5244 69.4938 174.3585 145 K 4.6429 7.8013 121.3109 54.8118 34.7677 176.2745 146 S 4.3990 8.5740 116.3309 59.6034 63.8068 174.4223 147 S 4.5064 7.6864 116.6265 57.5599 65.6962 175.0127 148 G 3.8686 9.5075 114.6696 45.1021 0.0000 171.7086 149 T 4.7756 8.1074 114.5579 62.2640 72.6270 173.9279 150 S 4.5080 9.3250 121.4083 57.4086 66.1019 171.9849 151 Y 4.8399 8.6938 125.4264 55.5526 39.2805 174.1058 152 P 4.6270 0.0000 0.0000 62.5064 32.7545 176.1493 153 D 4.5845 8.7826 119.7854 56.6719 41.3285 176.8963 154 V 5.1315 7.4415 110.2694 58.6031 34.1104 175.9139 155 L 3.1575 8.4064 125.1833 54.9736 43.0232 176.0418 156 K 4.8477 8.1800 124.8506 54.9220 35.2719 174.5618 157 C 5.2505 8.4915 119.1021 55.1911 43.0922 173.0166 158 L 5.1019 8.6999 122.8372 53.7235 45.4499 174.7893 159 K 5.1209 9.0583 125.5640 55.5775 33.3492 175.8972 160 A 4.9187 9.2232 125.3668 50.2352 23.1715 173.4571 161 P 5.0374 0.0000 0.0000 61.6795 33.8959 175.3142 162 I 4.2820 8.3887 122.9363 61.6799 37.9830 175.5322 163 L 4.9080 8.7289 127.1910 52.9413 43.5233 176.9649 164 S 4.2467 8.5136 115.5036 58.3395 63.7788 174.7650 165 D 4.3907 8.9246 121.7842 57.7922 40.8488 178.9917 166 S 4.1507 8.0526 114.4108 61.5166 63.0960 176.4931 167 S 4.1288 8.2606 117.9969 61.0611 62.8666 175.7141 168 C 4.3367 8.4508 122.1877 59.5942 41.7118 175.7715 169 K 4.0293 8.4222 120.3499 59.5855 31.3651 179.5909 170 S 4.2450 8.1686 114.6381 61.4891 62.7858 176.2711 171 A 4.0450 7.9895 122.7331 53.8988 19.6905 177.3764 172 Y 4.8415 7.7696 113.6864 55.0845 38.3834 172.7603 173 P 4.5298 0.0000 0.0000 63.4013 32.3139 177.3848 174 G 4.0305 9.0810 109.8390 45.9427 0.0000 173.6852 175 Q 4.5221 8.0819 116.1908 55.1488 31.0198 175.4473 176 I 4.3913 7.9339 119.0909 59.9878 38.1991 175.5747 177 T 4.5034 8.2618 116.1614 59.8630 70.5698 175.4518 178 S 4.3817 8.5529 114.9568 60.2067 63.1089 174.3683 179 N 4.9966 8.3421 118.8748 53.3331 38.5798 173.7883 180 M 5.5655 7.9698 116.8771 53.6960 36.0490 174.6111 181 F 5.1378 8.8218 115.4406 55.6767 42.2082 172.6560 182 C 5.4765 8.9692 116.4002 55.9169 40.9576 172.6267 183 A 5.0422 9.4179 122.5307 50.8403 22.4433 174.2773 183A G 3.8663 7.5465 105.6397 44.3715 0.0000 175.2317 184 Y 4.5470 8.5254 122.5117 56.1688 41.2324 175.9762 185 L 4.1047 8.6989 125.9412 57.2611 42.0093 179.1320 186 E 4.1524 8.1847 115.5458 57.4541 29.8264 177.3799 187 G 3.8806 7.6427 105.2860 45.5126 0.0000 173.3214 187A G 3.9576 9.8550 106.9032 44.7430 0.0000 173.3854 188 K 4.9856 7.4006 117.4437 55.5208 35.4266 174.9469 189 D 4.7153 8.8481 123.6643 53.4058 45.5422 174.8788 190 S 4.9203 8.2039 116.2473 58.4828 64.7438 171.6881 191 C 4.7569 9.2753 118.7950 55.3428 45.6249 172.3767 192 Q 4.2772 8.6511 119.1356 58.0991 28.4558 178.5173 193 G 4.2418 9.2653 110.7956 45.6467 0.0000 173.9014 194 D 4.6673 8.4719 118.9039 55.4789 41.5808 176.6067 195 S 4.4412 8.0745 115.1067 60.3959 63.4642 175.5191 196 G 3.9374 9.0097 113.1472 46.3538 0.0000 173.6571 197 G 4.5424 7.8954 107.6033 44.6577 0.0000 171.1725 198 P 5.1496 0.0000 0.0000 62.2274 33.5931 175.5666 199 V 4.6166 8.7183 121.3513 61.3924 34.1519 174.1734 200 V 4.8985 8.7118 128.5550 61.2604 34.3572 173.6528 201 C 5.0830 8.8901 124.6300 55.6297 43.9073 174.5441 202 S 3.5553 9.9225 120.6840 59.6909 60.1574 173.3356 203 G 3.9190 8.5341 104.5166 45.5286 0.0000 173.9199 204 K 4.6861 7.5858 117.8476 53.0265 35.0975 175.5226 *209 L 4.3349 8.2654 123.0106 55.4644 42.0047 175.7163 210 Q 4.5235 8.8499 125.8983 56.5555 30.8614 175.9015 211 G 5.2499 8.0490 104.4842 45.6120 0.0000 171.4144 212 I 5.2525 8.1968 120.0340 58.8029 41.0003 175.1926 213 V 3.7559 8.9409 127.3416 64.1271 31.8082 174.1992 214 S 4.9367 8.3919 120.5841 58.4111 64.3156 173.7895 215 W 4.8497 7.3465 113.9744 55.5906 31.9407 172.2826 216 G 3.9648 8.3495 106.9124 46.2687 0.0000 173.0525 217 S 4.6136 8.4893 115.4153 57.0220 62.5329 172.5676 *219 G 4.4867 8.0646 118.6109 45.6526 0.0000 171.2781 220 C 4.9307 8.1079 116.6169 56.4271 44.1474 173.9314 220A A 3.9371 9.4202 125.9537 53.2596 16.6936 177.1305 221 Q 4.5503 7.3263 118.0922 55.9773 29.8451 175.8244 222 K 4.1642 8.4665 122.0528 58.2630 32.5267 176.2880 223 N 4.3271 9.2705 121.9566 53.9742 36.8315 175.3455 224 K 4.2334 7.6283 116.9703 53.8093 32.4018 173.7149 225 P 4.6409 0.0000 0.0000 61.7904 33.2917 177.3148 226 G 3.5500 8.4143 106.2273 46.2343 0.0000 172.7460 227 V 4.4456 7.6538 122.9052 60.6790 34.0514 174.0550 228 Y 4.9741 8.1671 124.3522 55.9977 42.1946 174.9855 229 T 4.3689 8.6140 120.0805 63.6508 70.0589 174.2258 230 K 5.0999 9.2726 128.0606 55.3814 31.5838 177.2964 231 V 3.9793 8.8928 126.9196 65.8270 31.4033 174.9350 232 C 4.3105 8.3622 112.8867 58.6093 41.3971 175.2082 233 N 4.1115 8.0904 117.4374 54.9148 38.3429 175.6186 234 Y 4.7561 7.9809 117.2674 57.6239 38.8201 177.5352 235 V 3.6771 7.7946 120.6543 65.9291 31.6159 177.5327 236 S 4.0681 8.1020 112.3905 61.2047 62.2576 175.7097 237 W 4.1913 8.3412 130.4522 60.5506 30.4184 177.7151 238 I 2.9929 8.2793 119.9699 64.1544 36.5859 178.6117 239 K 3.7815 8.1145 119.6349 59.4086 31.6622 179.5111 240 Q 3.9281 7.9032 116.9074 59.4264 28.6934 178.3839 241 T 3.7108 7.6302 117.8574 66.3180 68.2370 176.7026 242 I 2.7013 7.2051 121.5482 63.9565 36.7735 178.3744 243 A 4.0579 7.7049 120.3261 54.0725 18.1513 178.2438 244 S 4.7066 7.4498 110.8178 58.2123 63.8912 174.0242 245 N 4.6968 8.0530 124.2620 53.6099 39.3823 174.1452 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 4.25 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 1.39 0.52 0.87 0.00 0.00 17 V 8.70 4.28 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 0.92 0.00 0.00 0.95 0.00 0.00 18 G 8.48 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 19 G 7.75 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 20 Y 8.12 4.97 0.00 2.95 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 21 T 8.58 4.11 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 1.21 0.00 0.00 22 C 8.53 4.18 0.00 2.72 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 23 G 8.40 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 0.00 0.00 0.00 0.00 24 A 8.43 4.32 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 25 N 8.85 4.27 0.00 2.89 2.92 0.00 0.00 7.12 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 4.24 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 1.23 0.00 0.00 27 V 7.04 4.06 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 0.29 0.00 0.00 0.75 0.00 0.00 28 P 0.00 4.50 0.00 2.38 2.40 0.00 3.66 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 2.20 2.00 0.00 29 Y 6.90 4.93 0.00 3.27 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.40 4.54 0.00 1.78 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.72 0.00 0.00 0.00 0.00 0.00 1.91 2.49 0.00 31 V 9.04 4.86 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 0.84 0.00 0.00 1.01 0.00 0.00 32 S 8.71 4.92 0.00 2.98 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.47 4.65 0.00 0.44 1.05 0.84 0.14 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 34 N 8.98 5.87 0.00 2.51 2.47 0.00 0.00 6.78 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 *37 S 8.47 4.20 0.00 3.69 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 38 G 8.83 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 39 Y 6.53 4.51 0.00 3.14 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 40 H 8.96 4.48 0.00 2.88 3.21 0.00 5.86 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.95 5.06 0.00 3.11 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 42 C 6.81 4.78 0.00 2.18 2.82 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 43 G 8.82 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.11 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.91 5.39 0.00 3.81 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 46 L 9.22 4.79 0.00 1.87 1.68 1.09 1.14 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 47 I 8.65 4.50 1.90 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 1.55 0.93 0.95 0.00 0.00 48 N 7.59 4.73 0.00 2.99 3.01 0.00 0.00 6.01 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 49 S 8.69 4.28 0.00 4.19 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 0.00 50 Q 8.93 4.61 0.00 2.31 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 51 W 8.14 5.53 0.00 3.36 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 52 V 9.14 4.93 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 1.10 0.00 0.00 0.99 0.00 0.00 53 V 8.81 4.72 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 1.04 0.00 0.00 1.01 0.00 0.00 54 S 9.04 4.84 0.00 3.90 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 55 A 8.53 4.50 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 56 A 8.28 3.84 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.42 4.55 0.00 3.39 3.60 0.00 5.55 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.83 4.68 0.00 3.24 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.73 4.21 0.00 2.96 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 60 K 7.17 3.37 0.00 1.44 1.28 0.00 0.61 0.00 0.00 1.21 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.77 0.99 7.81 61 S 7.94 4.28 0.00 3.96 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 62 G 8.40 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 63 I 7.57 4.12 1.87 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.73 0.92 0.00 0.00 64 Q 8.95 4.69 0.00 1.98 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.90 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 65 V 8.71 4.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.90 0.00 0.00 66 R 8.97 5.07 0.00 1.67 1.80 0.00 2.68 0.00 0.00 2.58 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.22 0.00 67 L 9.12 4.75 0.00 1.65 1.62 1.05 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 *69 G 8.28 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 0.00 0.00 0.00 70 E 8.22 4.40 0.00 2.18 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 2.53 2.09 0.00 71 D 8.02 4.85 0.00 2.79 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 72 N 8.75 4.98 0.00 2.82 2.82 0.00 0.00 7.19 8.57 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 73 I 8.45 3.82 1.44 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.52 -0.48 0.00 0.00 74 N 8.62 4.85 0.00 2.84 2.86 0.00 0.00 6.61 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 75 V 7.44 4.34 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.99 0.00 0.00 76 V 8.48 4.12 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 0.85 0.00 0.00 0.98 0.00 0.00 77 E 9.40 4.45 0.00 1.97 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 0.00 2.27 2.45 0.00 78 G 7.90 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 0.00 0.00 0.00 79 N 8.14 4.98 0.00 2.63 2.79 0.00 0.00 7.15 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 8.11 4.60 0.00 1.42 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 81 Q 8.81 4.46 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 82 F 8.81 5.58 0.00 2.83 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 83 I 8.84 4.64 1.87 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 0.87 0.88 0.00 0.00 84 S 8.76 4.69 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 8.63 4.59 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 86 S 8.82 4.45 0.00 3.78 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 7.49 4.59 0.00 1.78 1.54 0.00 1.79 0.00 0.00 1.95 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.50 7.81 88 S 8.77 5.29 0.00 3.96 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 9.27 4.58 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 8.45 4.10 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 0.71 0.00 0.00 0.82 0.00 0.00 91 H 8.73 3.58 0.00 2.86 3.05 0.00 5.65 0.00 0.00 0.00 0.00 6.60 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 4.27 0.00 2.15 2.17 0.00 2.37 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 1.56 1.86 0.00 93 S 7.90 4.69 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 94 Y 8.00 4.37 0.00 2.99 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 95 N 8.43 4.77 0.00 2.58 2.44 0.00 0.00 6.64 7.00 0.00 0.00 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 7.76 3.89 0.00 3.96 3.75 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 0.00 0.00 0.00 97 N 8.24 4.34 0.00 2.78 2.79 0.00 0.00 6.92 7.10 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 98 T 7.80 3.92 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 1.10 0.00 0.00 99 L 7.81 3.75 0.00 1.49 1.86 0.65 0.98 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 0.00 100 N 7.78 4.41 0.00 2.82 2.66 0.00 0.00 7.25 6.64 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 0.00 101 N 8.70 4.89 0.00 3.06 2.64 0.00 0.00 7.22 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 7.89 4.65 0.00 3.07 2.68 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 0.00 103 I 7.08 4.78 1.44 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.29 0.03 0.00 0.00 104 M 9.10 5.49 0.00 2.16 1.83 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.67 0.00 105 L 9.35 5.44 0.00 1.73 1.87 -0.04 1.03 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 0.00 106 I 9.03 5.03 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.95 0.94 0.00 0.00 107 K 8.45 3.82 0.00 0.79 1.05 0.00 1.15 0.00 0.00 1.32 0.00 0.00 2.64 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.70 0.21 7.81 108 L 8.44 4.56 0.00 1.49 1.56 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.89 4.16 0.00 1.62 1.83 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.47 7.81 110 S 7.42 4.61 0.00 3.95 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 8.40 4.40 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 8.93 4.24 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 0.00 113 S 9.09 4.35 0.00 3.88 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 0.00 114 L 8.39 4.85 0.00 1.69 1.60 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.37 4.76 0.00 2.93 2.92 0.00 0.00 6.75 7.59 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 0.00 116 S 8.61 4.30 0.00 3.90 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 0.00 117 R 7.49 4.19 0.00 2.11 1.99 0.00 3.21 0.00 0.00 3.16 7.39 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.58 4.49 0.00 4.00 3.93 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 0.00 128 C 8.45 4.38 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 0.00 129 A 8.04 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.04 4.49 0.00 3.82 3.73 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 *132 A 8.23 4.36 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 8.93 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 0.00 134 T 7.75 3.97 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 1.15 0.00 0.00 135 Q 8.60 4.63 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 136 C 9.26 5.22 0.00 2.84 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 0.00 137 L 9.14 5.20 0.00 1.75 1.57 1.00 1.18 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 9.12 5.34 1.89 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.61 1.03 0.00 0.00 139 S 8.66 4.87 0.00 3.55 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 0.00 140 G 7.44 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 0.00 141 W 8.60 4.59 0.00 3.16 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 0.00 142 G 8.56 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 0.00 143 N 8.56 3.72 0.00 2.16 2.58 0.00 0.00 7.12 7.33 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 0.00 144 T 8.15 5.08 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 1.26 0.00 0.00 145 K 7.80 4.64 0.00 1.93 1.85 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.26 1.29 7.81 146 S 8.57 4.40 0.00 4.26 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 0.00 147 S 7.69 4.51 0.00 3.83 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 9.51 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 0.00 149 T 8.11 4.78 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 150 S 9.33 4.51 0.00 3.82 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 0.00 151 Y 8.69 4.84 0.00 2.94 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 0.00 152 P 0.00 4.63 0.00 2.44 2.08 0.00 4.09 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.02 0.00 153 D 8.78 4.58 0.00 2.81 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 0.00 154 V 7.44 5.13 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 1.01 0.00 0.00 0.96 0.00 0.00 155 L 8.41 3.16 0.00 1.24 1.22 -0.73 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.18 4.85 0.00 1.64 1.49 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.45 7.81 157 C 8.49 5.25 0.00 1.47 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 0.00 0.00 0.00 0.00 158 L 8.70 5.10 0.00 1.72 1.48 1.03 1.13 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 0.00 159 K 9.06 5.12 0.00 1.80 1.82 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.66 7.81 160 A 9.22 4.92 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 0.00 161 P 0.00 5.04 0.00 2.02 2.09 0.00 3.08 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.75 0.00 162 I 8.39 4.28 1.90 0.00 0.00 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 1.12 0.56 0.81 0.00 0.00 163 L 8.73 4.91 0.00 1.64 1.60 0.92 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 8.51 4.25 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 0.00 165 D 8.92 4.39 0.00 2.84 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 S 8.05 4.15 0.00 4.10 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 S 8.26 4.13 0.00 4.09 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 8.45 4.34 0.00 3.22 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 0.00 169 K 8.42 4.03 0.00 1.88 1.90 0.00 1.87 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.54 1.67 7.81 170 S 8.17 4.25 0.00 4.01 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 7.99 4.04 1.11 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 0.00 172 Y 7.77 4.84 0.00 3.11 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 0.00 173 P 0.00 4.53 0.00 2.08 2.05 0.00 3.86 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 174 G 9.08 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 Q 8.08 4.52 0.00 2.47 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.64 0.00 0.00 0.00 0.00 0.00 2.26 2.53 0.00 176 I 7.93 4.39 1.98 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 1.84 1.07 1.00 0.00 0.00 177 T 8.26 4.50 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 1.26 0.00 0.00 178 S 8.55 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 8.34 5.00 0.00 3.08 3.11 0.00 0.00 6.64 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 0.00 180 M 7.97 5.57 0.00 1.88 2.11 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.62 0.00 181 F 8.82 5.14 0.00 3.07 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 C 8.97 5.48 0.00 2.98 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 9.42 5.04 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 183A G 7.55 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 0.00 184 Y 8.53 4.55 0.00 3.01 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 8.70 4.10 0.00 1.73 1.73 0.92 0.87 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 0.00 186 E 8.18 4.15 0.00 2.10 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 0.00 2.33 2.27 0.00 187 G 7.64 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 187A G 9.86 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 K 7.40 4.99 0.00 1.58 1.72 0.00 1.07 0.00 0.00 0.66 0.00 0.00 2.50 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.25 7.81 189 D 8.85 4.72 0.00 2.84 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 0.00 190 S 8.20 4.92 0.00 4.00 4.01 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 0.00 191 C 9.28 4.76 0.00 2.95 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 8.65 4.28 0.00 2.35 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.21 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 193 G 9.27 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 0.00 194 D 8.47 4.67 0.00 2.94 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 0.00 195 S 8.07 4.44 0.00 3.98 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 0.00 196 G 9.01 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 0.00 197 G 7.90 4.54 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 0.00 198 P 0.00 5.15 0.00 2.33 2.38 0.00 3.85 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 199 V 8.72 4.62 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 0.85 0.00 0.00 0.52 0.00 0.00 200 V 8.71 4.90 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 0.66 0.00 0.00 0.67 0.00 0.00 201 C 8.89 5.08 0.00 2.79 2.86 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 0.00 202 S 9.92 3.56 0.00 3.95 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 G 8.53 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 0.00 0.00 0.00 204 K 7.59 4.69 0.00 1.72 1.64 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.40 7.81 *209 L 8.27 4.33 0.00 1.51 1.65 1.01 0.76 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 8.85 4.52 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.43 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 211 G 8.05 5.25 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 0.00 212 I 8.20 5.25 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.04 0.99 0.00 0.00 213 V 8.94 3.76 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.23 0.00 0.00 214 S 8.39 4.94 0.00 3.91 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 0.00 215 W 7.35 4.85 0.00 3.35 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 0.00 216 G 8.35 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 S 8.49 4.61 0.00 4.25 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 8.06 4.49 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 0.00 220 C 8.11 4.93 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 220A A 9.42 3.94 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 0.00 221 Q 7.33 4.55 0.00 2.32 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.90 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 222 K 8.47 4.16 0.00 1.72 1.73 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.60 7.81 223 N 9.27 4.33 0.00 2.82 2.84 0.00 0.00 6.80 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 0.00 224 K 7.63 4.23 0.00 1.84 1.76 0.00 1.58 0.00 0.00 1.14 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.47 7.81 225 P 0.00 4.64 0.00 2.13 2.11 0.00 3.63 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 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 7.65 4.45 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 0.33 0.00 0.00 -0.77 0.00 0.00 228 Y 8.17 4.97 0.00 1.44 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 0.00 0.00 0.00 229 T 8.61 4.37 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 9.27 5.10 0.00 2.13 1.93 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.62 7.81 231 V 8.89 3.98 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 1.13 0.00 0.00 232 C 8.36 4.31 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 8.09 4.11 0.00 2.19 2.38 0.00 0.00 6.86 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 Y 7.98 4.76 0.00 3.26 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 0.00 235 V 7.79 3.68 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 1.12 0.00 0.00 1.03 0.00 0.00 236 S 8.10 4.07 0.00 3.96 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 0.00 237 W 8.34 4.19 0.00 3.53 3.56 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 0.00 0.00 0.00 0.00 238 I 8.28 2.99 1.98 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.87 0.71 0.00 0.00 239 K 8.11 3.78 0.00 1.72 1.77 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.54 7.81 240 Q 7.90 3.93 0.00 2.12 2.18 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 2.37 2.61 0.00 241 T 7.63 3.71 3.46 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 0.00 0.00 0.00 0.72 0.00 0.00 242 I 7.21 2.70 1.40 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.12 0.61 0.00 0.00 243 A 7.70 4.06 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 7.45 4.71 0.00 3.75 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 0.00 245 N 8.05 4.70 0.00 2.93 3.00 0.00 0.00 6.73 7.49 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 * Residues marked with a * may have inaccurate shift predictions.