NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5957 8.2185 120.3204 53.2442 41.0025 175.0486 2 A 4.1680 8.8321 120.3232 54.6589 18.2142 178.5076 3 A 3.8354 7.9059 119.3185 55.4449 19.0982 178.3298 4 S 4.1302 8.4151 112.8455 61.5211 63.0652 176.1469 5 D 4.3259 8.4992 122.1605 56.8386 40.9523 177.9866 6 L 3.1806 7.7877 120.8774 57.8297 42.0059 178.8706 7 K 4.5735 7.5240 120.7400 58.9246 31.7988 178.7138 8 S 4.0763 8.0502 113.5046 61.4802 62.2529 176.3140 9 R 3.9269 7.9825 120.7464 59.3390 29.3704 179.0806 10 L 4.0838 7.9311 118.6799 57.5036 41.4765 178.6873 11 D 4.5742 8.0200 117.2295 55.8597 40.8452 177.9905 12 K 4.3375 7.5775 120.3687 57.5245 32.3614 176.1094 13 V 4.3332 7.1961 118.7270 60.7715 32.0443 174.9796 14 S 4.4786 8.6205 123.5996 60.9209 64.5139 174.0121 15 S 5.3108 7.9608 114.4051 57.0642 65.9278 172.7278 16 F 5.3417 8.8057 120.2245 56.7681 41.8881 171.9555 17 H 5.3841 9.5818 118.5224 54.4488 32.6940 171.8818 18 A 5.1763 9.6052 127.3089 50.2619 22.8149 174.5442 19 S 5.2620 8.7228 116.8179 56.8776 65.7781 173.3234 20 F 5.5996 9.5456 120.5331 56.1196 43.7099 173.6108 21 T 4.9613 8.9013 111.6673 60.5144 70.9914 173.2352 22 Q 4.7308 9.4733 126.3286 54.1990 32.2214 174.4812 23 K 4.5860 8.4619 124.2133 54.7937 35.6851 175.1292 24 V 4.6715 8.3574 125.8732 61.6722 32.9776 174.8168 25 T 4.6702 9.6416 118.4935 60.8167 72.8555 172.0239 26 D 5.0714 9.0209 122.5165 55.6221 42.4169 175.6880 27 G 4.0755 8.8020 115.6131 45.4510 0.0000 171.8585 *33 Q 3.9811 7.5964 115.8956 56.2581 29.7092 173.1257 34 E 3.6702 8.8106 122.8940 56.5270 27.1233 173.1363 35 G 4.3455 9.1513 111.4040 45.2071 0.0000 168.4233 36 Q 5.2868 8.9231 117.0799 54.8472 33.7855 174.4994 37 G 3.8028 8.5150 106.6058 46.0072 0.0000 171.7997 38 D 5.4907 7.9804 119.5436 52.0997 44.2971 175.1534 39 L 5.5636 9.6272 125.6263 53.2847 44.8500 174.8356 40 W 5.3516 9.4643 126.1424 54.9954 32.1701 174.9579 41 V 4.9051 8.7470 123.6258 61.0949 35.0405 174.3119 42 K 4.7493 8.8320 128.2883 54.6088 34.5353 175.6357 43 R 4.2046 8.9055 127.1662 55.7051 30.4533 175.6732 44 P 4.3480 0.0000 0.0000 65.6915 31.4972 177.6412 45 N 5.1376 7.8084 111.5459 52.8165 40.6842 173.4776 46 L 4.6072 7.8062 120.1899 53.9154 43.2276 175.9201 47 F 5.6758 8.3483 116.3759 56.5134 42.1793 173.0322 48 N 5.3747 9.9489 118.9375 52.7309 42.0594 172.9441 49 W 5.3142 9.8023 135.0000 56.3842 32.5242 174.4401 50 H 5.1241 8.6933 129.1872 54.3470 31.1533 172.8541 51 M 4.2586 8.4947 127.6880 55.8455 32.6536 176.1906 52 T 4.3026 8.7481 116.2453 62.7651 70.9585 174.9013 53 Q 4.6815 7.7770 120.0711 53.0993 32.3379 174.9720 54 P 4.1971 0.0000 0.0000 64.6590 32.1599 175.9685 55 D 4.6659 7.7302 117.2782 52.0285 42.6283 174.9008 56 E 5.1310 8.6593 127.1406 55.5920 30.7673 175.3391 57 S 4.5676 7.9941 117.4606 57.7709 66.2945 173.9949 58 I 4.9479 8.2645 121.6639 59.4438 40.9450 174.1358 59 L 5.4175 9.1264 129.1245 53.3468 44.5737 175.3763 60 V 4.7213 9.0175 126.2770 59.8611 34.6401 174.2280 61 S 5.1441 8.5862 119.2721 56.3894 64.4588 173.7771 62 D 4.9296 8.8064 125.5135 53.1268 39.4988 177.3716 63 G 4.0504 8.5959 109.2389 45.1818 0.0000 174.2801 64 K 4.5402 8.4519 118.0212 57.5202 35.4637 175.7901 65 T 5.0176 9.4355 116.5708 61.4749 72.0863 173.0413 66 L 4.8918 8.7438 128.1476 53.3570 44.0388 174.8596 67 W 5.2400 9.2282 127.1216 54.9159 31.8488 174.9191 68 F 5.3614 9.2978 126.5650 56.7101 41.5387 173.0075 69 Y 4.9259 8.8466 128.5107 55.8754 41.1060 173.7742 70 N 4.6576 8.5928 126.6400 50.5178 39.5399 172.9066 71 P 3.9725 0.0000 0.0000 64.8211 31.6734 178.1300 72 F 4.4203 8.1382 120.6555 60.5482 39.4407 175.9152 73 V 4.0151 7.4985 110.9691 60.1054 32.1792 175.6587 74 E 3.9124 7.9060 117.8486 57.6538 27.0864 174.3394 75 Q 5.2393 7.6173 115.2125 54.2213 33.9361 175.7890 76 A 5.2931 9.3119 123.7532 50.7164 22.8015 174.9340 77 T 5.1729 9.3514 119.0346 61.6205 71.8244 173.0784 78 A 4.5729 8.4003 127.5040 50.0587 21.7664 175.2667 79 T 4.5956 7.8610 110.3850 59.3341 73.2619 173.4002 80 W 4.6663 8.3403 122.5173 56.2978 29.9408 177.3342 81 L 4.0601 9.2426 125.8063 58.2273 41.4726 179.4478 82 K 3.9516 8.2199 118.2432 59.9325 32.1917 177.8448 83 D 4.5868 8.0730 117.1064 54.8719 41.3063 176.4446 84 A 4.6282 8.0552 122.5279 51.4720 20.2893 176.7003 85 T 3.8707 7.2392 106.2783 63.2256 68.8145 174.5323 86 G 3.8196 8.6524 112.0804 46.2154 0.0000 173.7077 87 N 4.6822 7.8756 116.9442 53.9883 39.5572 175.8778 88 T 4.6971 7.3157 107.9638 58.2300 73.3299 172.8182 89 P 4.0157 0.0000 0.0000 66.0814 31.1499 178.7452 90 F 3.7585 6.9716 116.9876 60.1704 38.7056 177.0976 91 M 3.6600 7.4975 117.5562 58.4516 32.0148 178.2894 92 L 3.4188 7.3502 119.0022 57.7219 41.4703 179.6671 93 I 3.7471 7.3094 118.2253 64.3000 37.0623 178.1204 94 A 4.1091 7.7160 120.8462 54.7316 18.2444 179.5322 95 R 3.9443 7.8698 116.5688 59.0260 31.5219 177.0781 96 N 4.1282 8.0379 115.8861 54.5131 38.2033 173.2342 97 Q 4.7507 6.9265 115.9279 54.1641 31.1093 177.5926 98 S 4.3607 8.7091 116.9786 61.8348 62.4995 176.9019 99 S 4.0685 7.8918 115.4778 61.2124 62.5871 175.4789 100 D 4.3312 7.6647 121.4898 57.2573 40.7065 178.8374 101 W 4.8710 7.6555 118.6962 59.9507 28.7560 178.3238 102 Q 4.1967 7.8907 117.2395 58.9531 28.3377 177.6429 103 Q 4.1176 7.9549 115.6404 56.7406 28.5956 174.7302 104 Y 5.2764 7.7348 114.8319 56.2572 42.2128 174.5646 105 N 4.9627 9.7158 119.8575 52.1404 40.3632 174.1904 106 I 5.0382 8.4928 124.6045 59.5313 39.7899 175.2845 107 K 4.6522 8.9550 124.7589 54.6491 35.1297 175.1115 108 Q 4.6004 8.4134 124.7756 54.5737 33.0003 174.3550 109 N 4.5781 8.6536 122.3780 53.4891 41.0745 175.4899 110 G 3.9460 7.8565 118.5314 46.7894 0.0000 173.1004 111 D 4.6682 8.6015 125.4101 54.4465 41.3773 174.7141 112 D 5.0532 7.5486 121.2901 53.0426 42.7720 175.5117 113 F 5.2454 9.4223 122.0361 55.5476 43.0189 174.0982 114 V 4.6844 8.9212 123.0931 61.0236 34.3757 173.9522 115 L 5.4047 9.3296 128.2646 53.4022 44.3992 175.4160 116 T 5.1404 8.8507 121.3576 60.6510 71.0305 172.3388 117 P 4.5217 0.0000 0.0000 63.8717 31.3670 176.5195 118 K 4.1715 8.9284 122.5769 58.5230 32.2909 179.5089 119 A 4.4311 7.3637 119.2629 52.4347 19.7277 175.9865 *123 N 4.6653 8.2471 115.1564 54.2730 40.3431 173.6202 124 L 4.9419 7.6816 115.6238 52.8638 44.6917 176.5681 125 K 4.2399 9.2464 125.1672 59.0634 32.8022 176.4609 126 Q 4.9333 7.7893 117.8242 55.5536 32.5954 172.3694 127 F 5.3609 8.8954 126.6334 56.9497 43.1692 173.3185 128 T 4.9111 7.9225 115.3466 60.1669 72.5393 172.4870 129 I 4.6750 8.1586 119.9220 60.1089 42.4039 172.6106 130 N 5.6659 9.4413 128.2671 51.9048 41.0513 173.3916 131 V 4.9522 8.8116 126.0668 59.8412 34.3343 176.1850 132 G 3.9995 8.8450 114.0547 44.7893 0.0000 174.6695 133 R 3.9514 8.4410 118.1514 58.8034 30.0611 178.0020 134 D 4.4170 8.0114 115.4382 54.1584 39.7511 177.1281 135 G 4.0063 8.2359 108.8812 45.2574 0.0000 173.5727 136 T 4.0094 8.2285 117.9950 63.1686 68.7290 174.1513 137 I 4.5225 7.8175 128.1768 60.3297 36.3652 174.9871 138 H 4.6036 8.9511 124.4796 58.5567 29.8857 175.2164 139 Q 5.2608 8.1044 113.6475 56.0579 31.3638 172.8601 140 F 5.1835 8.0739 113.3886 56.4710 41.5716 172.8283 141 S 5.1779 8.5324 113.4692 57.5227 66.8786 172.5461 142 A 5.1632 8.9431 120.9901 50.5532 23.1669 175.3426 143 V 4.7316 8.8879 120.6796 61.2673 34.5421 175.8255 144 E 4.6493 9.0791 128.3956 55.1267 30.9837 177.4739 145 Q 4.0278 8.7179 118.4151 59.5954 28.6285 178.0780 146 D 4.5778 8.0611 113.5476 53.4569 39.0876 176.2285 147 D 4.4231 8.0883 116.6971 55.2603 39.2892 173.5145 148 Q 4.2762 8.3372 122.3994 56.0932 30.0270 174.6510 149 R 5.0618 9.3358 127.2049 54.6391 33.0375 174.4633 150 S 5.4156 9.1960 122.5694 56.7485 66.0140 173.0354 151 S 5.1617 8.7277 120.1259 56.5766 65.9846 172.7200 152 Y 4.9838 8.8053 119.8526 56.0879 41.4014 174.1196 153 Q 5.0035 8.9092 124.7925 53.7587 31.8677 174.3775 154 L 3.7537 8.9950 129.6239 55.8052 42.1897 176.0786 155 K 4.3668 8.5820 126.0159 57.7765 33.3801 176.7928 156 S 4.5349 7.2451 112.7394 57.0922 66.2247 172.5631 157 Q 4.9616 8.5488 126.9114 54.3712 32.1217 174.2267 158 Q 4.5984 9.2568 124.2851 54.3474 32.4030 174.0178 159 N 5.2399 10.0993 121.7281 52.1279 40.3749 174.9350 160 G 4.2919 8.5666 108.4477 42.5124 0.0000 172.8378 161 A 4.0554 8.2760 123.0398 52.7660 18.5672 177.1827 162 V 4.4747 7.5747 122.1001 60.5174 33.9620 174.9928 163 D 4.3152 8.4822 124.9349 54.0166 41.4628 176.8724 164 A 4.2081 8.8304 128.9304 55.1060 18.0984 178.8349 165 A 3.8867 8.2873 119.4064 55.0632 18.1126 179.7872 166 K 3.4644 7.4671 116.0126 58.0560 31.9089 177.5901 167 F 5.0877 7.2772 117.8816 57.3099 39.5181 175.4957 168 T 4.8135 7.3368 109.0728 60.0559 71.6470 172.8665 169 F 4.4402 8.1628 123.1729 57.1379 42.3325 173.5821 170 T 3.8392 6.3964 123.3702 60.1915 71.2591 171.9750 171 P 3.6279 0.0000 0.0000 61.8583 31.4631 174.6442 172 P 4.2102 0.0000 0.0000 61.8517 32.0283 175.4619 173 Q 4.0185 8.1690 119.3730 57.2759 29.0151 177.0731 174 G 3.8986 9.0137 110.4780 45.1562 0.0000 172.6972 175 V 4.3904 7.0318 119.0116 61.3681 33.3952 175.3984 176 T 4.3316 8.8235 124.7864 63.0944 69.5829 173.7045 177 V 4.6887 8.4646 126.8889 61.6302 33.4073 174.9817 178 D 4.7445 9.2517 128.5727 52.5677 42.0883 173.3345 179 D 4.2674 8.4741 123.8672 52.9282 41.2057 174.6180 180 Q 4.4204 8.4639 125.0109 55.7260 29.6358 176.5054 181 R 3.6825 7.6106 119.9170 54.5092 29.5479 176.6661 182 K 4.1908 8.6231 123.3778 56.5915 32.2502 176.5417 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 D 8.22 4.60 0.00 2.90 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 2 A 8.83 4.17 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.91 3.84 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 0.00 0.00 0.00 0.00 0.00 4 S 8.42 4.13 0.00 4.10 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 5 D 8.50 4.33 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 6 L 7.79 3.18 0.00 0.77 1.18 -0.14 -1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.52 4.57 0.00 2.04 1.82 0.00 1.92 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.46 7.81 8 S 8.05 4.08 0.00 4.00 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 9 R 7.98 3.93 0.00 1.91 2.05 0.00 3.25 0.00 0.00 3.56 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.96 0.00 10 L 7.93 4.08 0.00 1.85 1.78 1.05 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.02 4.57 0.00 2.91 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 12 K 7.58 4.34 0.00 1.75 1.98 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.51 7.81 13 V 7.20 4.33 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 1.19 0.00 0.00 0.94 0.00 0.00 14 S 8.62 4.48 0.00 3.99 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 15 S 7.96 5.31 0.00 3.97 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.81 5.34 0.00 3.32 3.21 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 17 H 9.58 5.38 0.00 3.27 3.21 0.00 5.55 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 18 A 9.61 5.18 1.31 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 19 S 8.72 5.26 0.00 3.87 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 20 F 9.55 5.60 0.00 3.47 3.17 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 21 T 8.90 4.96 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 22 Q 9.47 4.73 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.05 1.60 0.00 23 K 8.46 4.59 0.00 1.57 1.59 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.27 7.81 24 V 8.36 4.67 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 0.88 0.00 0.00 0.91 0.00 0.00 25 T 9.64 4.67 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 1.18 0.00 0.00 26 D 9.02 5.07 0.00 2.71 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 27 G 8.80 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *33 Q 7.60 3.98 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.44 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 34 E 8.81 3.67 0.00 2.05 1.95 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 2.19 2.35 0.00 35 G 9.15 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.92 5.29 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 37 G 8.51 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.98 5.49 0.00 2.37 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 9.63 5.56 0.00 2.40 2.27 1.26 0.53 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 40 W 9.46 5.35 0.00 3.48 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 41 V 8.75 4.91 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 0.00 0.00 0.93 0.00 0.00 0.82 0.00 0.00 42 K 8.83 4.75 0.00 1.77 0.86 0.00 1.92 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.23 1.43 7.81 43 R 8.91 4.20 0.00 1.73 1.86 0.00 3.29 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 44 P 0.00 4.35 0.00 2.01 2.09 0.00 3.58 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 45 N 7.81 5.14 0.00 2.56 2.80 0.00 0.00 6.88 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.81 4.61 0.00 0.83 0.34 0.69 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.35 5.68 0.00 3.35 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 9.95 5.37 0.00 3.01 2.98 0.00 0.00 7.11 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 49 W 9.80 5.31 0.00 2.72 2.75 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 50 H 8.69 5.12 0.00 3.38 3.27 0.00 5.65 0.00 0.00 0.00 0.00 6.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 M 8.49 4.26 0.00 2.34 1.91 0.00 0.00 0.00 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.70 0.00 52 T 8.75 4.30 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 53 Q 7.78 4.68 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 54 P 0.00 4.20 0.00 2.13 2.15 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 55 D 7.73 4.67 0.00 2.55 2.58 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 0.00 0.00 0.00 0.00 56 E 8.66 5.13 0.00 1.99 1.77 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 2.22 2.37 0.00 57 S 7.99 4.57 0.00 3.65 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 58 I 8.26 4.95 1.86 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 0.80 0.78 0.89 0.00 0.00 59 L 9.13 5.42 0.00 2.19 1.87 1.18 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 60 V 9.02 4.72 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 0.86 0.00 0.00 1.07 0.00 0.00 61 S 8.59 5.14 0.00 3.53 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.81 4.93 0.00 2.89 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 63 G 8.60 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 64 K 8.45 4.54 0.00 1.88 1.98 0.00 1.79 0.00 0.00 1.90 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.78 1.58 7.81 65 T 9.44 5.02 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 0.40 0.00 0.00 66 L 8.74 4.89 0.00 1.74 1.49 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 67 W 9.23 5.24 0.00 2.95 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 9.30 5.36 0.00 3.07 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 69 Y 8.85 4.93 0.00 2.23 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 70 N 8.59 4.66 0.00 2.41 2.51 0.00 0.00 6.50 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 71 P 0.00 3.97 0.00 2.08 1.65 0.00 3.50 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.66 0.00 72 F 8.14 4.42 0.00 2.85 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 73 V 7.50 4.02 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 0.74 0.00 0.00 0.99 0.00 0.00 74 E 7.91 3.91 0.00 2.10 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 2.34 2.27 0.00 75 Q 7.62 5.24 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.68 0.00 76 A 9.31 5.29 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.35 5.17 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 1.25 0.00 0.00 78 A 8.40 4.57 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.86 4.60 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 1.11 0.00 0.00 80 W 8.34 4.67 0.00 3.53 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 81 L 9.24 4.06 0.00 1.78 1.84 1.06 0.63 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 82 K 8.22 3.95 0.00 1.99 2.04 0.00 1.45 0.00 0.00 1.67 0.00 0.00 2.70 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.48 1.55 7.81 83 D 8.07 4.59 0.00 2.91 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 84 A 8.06 4.63 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 85 T 7.24 3.87 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 1.26 0.00 0.00 86 G 8.65 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 N 7.88 4.68 0.00 2.79 2.88 0.00 0.00 6.64 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 88 T 7.32 4.70 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 1.27 0.00 0.00 89 P 0.00 4.02 0.00 1.96 2.46 0.00 3.40 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.68 0.00 90 F 6.97 3.76 0.00 2.71 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 91 M 7.50 3.66 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.83 0.00 92 L 7.35 3.42 0.00 1.24 0.94 -0.01 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 93 I 7.31 3.75 1.62 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 1.38 0.38 0.95 0.00 0.00 94 A 7.72 4.11 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 95 R 7.87 3.94 0.00 1.89 1.82 0.00 3.28 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 96 N 8.04 4.13 0.00 3.20 2.82 0.00 0.00 7.24 6.23 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 97 Q 6.93 4.75 0.00 2.14 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 98 S 8.71 4.36 0.00 4.12 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 99 S 7.89 4.07 0.00 3.84 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 0.00 100 D 7.66 4.33 0.00 2.07 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 0.00 0.00 0.00 101 W 7.66 4.87 0.00 3.37 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 0.00 102 Q 7.89 4.20 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.12 0.00 0.00 0.00 0.00 0.00 2.80 2.52 0.00 103 Q 7.95 4.12 0.00 1.63 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 104 Y 7.73 5.28 0.00 3.00 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 0.00 105 N 9.72 4.96 0.00 2.83 2.80 0.00 0.00 7.18 5.12 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 0.00 106 I 8.49 5.04 1.95 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 1.46 0.71 1.04 0.00 0.00 107 K 8.96 4.65 0.00 1.67 1.63 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.37 7.81 108 Q 8.41 4.60 0.00 1.48 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 1.91 1.35 0.00 109 N 8.65 4.58 0.00 2.62 2.51 0.00 0.00 7.34 8.08 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 0.00 110 G 7.86 3.95 0.00 0.00 0.00 0.00 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1.10 1.52 0.81 0.00 0.00 130 N 9.44 5.67 0.00 2.90 2.73 0.00 0.00 6.60 7.35 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 0.00 131 V 8.81 4.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.94 0.00 0.00 132 G 8.84 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 0.00 133 R 8.44 3.95 0.00 1.83 2.03 0.00 3.22 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 134 D 8.01 4.42 0.00 2.77 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 0.00 135 G 8.24 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 0.00 0.00 0.00 136 T 8.23 4.01 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 137 I 7.82 4.52 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.50 1.12 0.00 0.00 138 H 8.95 4.60 0.00 3.41 3.39 0.00 5.85 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Q 8.10 5.26 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 140 F 8.07 5.18 0.00 2.81 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 0.00 141 S 8.53 5.18 0.00 3.92 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 0.00 142 A 8.94 5.16 1.31 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 0.00 143 V 8.89 4.73 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 0.90 0.00 0.00 0.94 0.00 0.00 144 E 9.08 4.65 0.00 2.29 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 2.30 0.00 145 Q 8.72 4.03 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.58 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 146 D 8.06 4.58 0.00 2.80 2.77 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 0.00 147 D 8.09 4.42 0.00 2.91 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 0.00 148 Q 8.34 4.28 0.00 2.24 2.05 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 2.37 2.44 0.00 149 R 9.34 5.06 0.00 1.82 1.71 0.00 3.20 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 150 S 9.20 5.42 0.00 3.85 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 0.00 151 S 8.73 5.16 0.00 3.73 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 0.00 152 Y 8.81 4.98 0.00 1.43 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 8.91 5.00 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 154 L 8.99 3.75 0.00 1.87 1.57 0.31 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 155 K 8.58 4.37 0.00 1.65 1.77 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.50 7.81 156 S 7.25 4.53 0.00 3.74 3.53 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 0.00 157 Q 8.55 4.96 0.00 1.85 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.49 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 158 Q 9.26 4.60 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.62 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 159 N 10.10 5.24 0.00 2.66 2.83 0.00 0.00 7.16 7.65 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 0.00 160 G 8.57 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 0.00 0.00 0.00 0.00 161 A 8.28 4.06 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 V 7.57 4.47 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 0.79 0.00 0.00 1.29 0.00 0.00 163 D 8.48 4.32 0.00 2.67 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 A 8.83 4.21 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 A 8.29 3.89 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 0.00 166 K 7.47 3.46 0.00 0.79 0.77 0.00 0.61 0.00 0.00 0.89 0.00 0.00 2.13 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.81 0.21 7.81 167 F 7.28 5.09 0.00 3.05 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 0.00 168 T 7.34 4.81 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 169 F 8.16 4.44 0.00 2.72 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 T 6.40 3.84 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 0.88 0.00 0.00 171 P 0.00 3.63 0.00 2.05 1.95 0.00 3.28 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.91 0.00 172 P 0.00 4.21 0.00 2.07 1.84 0.00 3.24 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 173 Q 8.17 4.02 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.80 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 174 G 9.01 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 0.00 175 V 7.03 4.39 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 0.94 0.00 0.00 1.02 0.00 0.00 176 T 8.82 4.33 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 1.25 0.00 0.00 177 V 8.46 4.69 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.04 0.00 0.00 178 D 9.25 4.74 0.00 2.79 2.56 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 0.00 179 D 8.47 4.27 0.00 2.70 2.54 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 0.00 180 Q 8.46 4.42 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 181 R 7.61 3.68 0.00 1.28 0.66 0.00 2.21 0.00 0.00 2.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.88 0.00 182 K 8.62 4.19 0.00 1.78 1.83 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.49 7.81 * Residues marked with a * may have inaccurate shift predictions.