NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5043 8.1927 115.3945 57.9205 64.7981 172.9541 3 L 3.2366 8.6629 120.3776 56.5666 41.5776 177.3607 4 P 4.0501 0.0000 0.0000 66.1513 31.5332 177.6214 5 H 3.8140 7.2353 115.3852 58.1383 28.5129 177.7050 6 V 3.3475 7.0032 120.2242 65.8117 31.2896 178.2477 7 I 3.8777 7.5669 119.6156 64.2455 36.9937 178.3037 8 L 3.9554 8.2942 120.1572 57.9645 41.1356 179.6618 9 T 3.8493 7.6626 114.9602 66.5376 68.6654 176.3027 10 V 3.7147 7.2691 118.6335 66.2452 30.5765 178.1626 11 L 4.6255 7.6617 118.7280 56.8749 41.1646 179.5218 12 S 4.3420 7.8540 114.8750 60.9610 62.7285 175.9423 13 T 4.2518 7.5029 111.8452 63.0296 69.5665 174.9694 14 R 4.5249 6.7000 115.4850 54.5834 32.3492 173.7630 15 D 4.9641 8.3552 118.5948 55.0116 42.3964 175.0483 16 A 4.8958 8.6667 120.6952 51.1095 23.2979 176.3195 17 T 4.5299 9.8779 111.8156 61.0001 70.2450 176.1120 18 G 4.0631 9.3028 110.5502 48.3450 0.0000 176.0880 *19 Y 4.2561 7.8439 124.0580 61.1542 37.0070 182.1052 20 D 4.6140 7.9674 119.9438 57.3852 41.3595 178.8862 21 I 3.8892 7.7281 120.2001 64.7075 37.0956 178.7475 22 T 3.8369 7.7286 112.9094 65.1047 68.2117 177.3027 23 K 4.1900 8.0223 125.9403 59.4063 31.8777 182.6815 24 E 4.2217 8.0145 118.1566 59.7722 29.2020 179.4130 25 F 3.8325 8.2656 116.0476 59.7001 39.1411 176.0107 26 S 4.7185 7.7491 112.8619 57.9835 64.4620 174.2594 27 A 4.6589 7.3384 125.4997 51.6674 18.9743 178.9875 28 S 2.7900 8.6942 112.7686 63.8388 62.2324 176.4217 29 I 3.3370 7.3427 122.4788 63.4235 36.5359 177.9001 30 G 3.6326 7.4477 105.0787 46.6202 0.0000 174.7143 31 Y 4.6157 7.4400 118.7267 60.0732 38.0314 176.1395 32 F 4.9756 7.5534 110.2753 55.5399 39.9020 174.2222 33 W 4.4984 7.7893 131.4606 55.5079 32.6740 173.7411 34 K 4.3788 8.2299 127.5488 55.0044 32.2738 175.4071 35 A 4.8524 8.3245 128.2176 49.8155 22.2530 176.1458 36 S 4.5127 9.9256 118.4399 57.9112 65.5710 175.2272 37 H 3.7240 8.8629 120.2254 59.7280 28.3264 177.0038 38 Q 4.0734 8.2343 120.4385 59.1721 28.7255 177.9252 39 Q 3.9185 8.2989 118.4481 59.2358 28.9207 179.9879 40 V 3.1197 7.6846 118.9190 66.1203 31.5278 177.6544 41 Y 4.0901 7.7956 116.6831 61.1772 37.7153 178.9222 42 R 3.9529 8.3908 119.3499 59.2294 30.0750 178.7935 43 E 3.8730 8.3431 119.2897 59.2060 29.4146 178.7316 44 L 3.7821 7.8562 118.4267 57.5986 41.9179 178.8671 45 N 4.4680 8.1193 116.8723 56.8121 39.0301 177.0880 46 K 3.9621 8.0342 119.8056 59.8572 32.0642 179.2871 47 M 4.4395 7.9317 120.6413 57.4346 31.7638 179.1227 48 G 3.6104 7.9298 106.2468 47.1249 0.0000 175.5836 49 E 4.0433 8.0901 120.5684 58.5757 30.1244 177.3836 50 Q 4.0863 8.0988 116.9269 56.2333 29.1140 177.2813 51 G 3.9540 7.9006 105.8466 46.1040 0.0000 174.5570 52 L 4.4399 8.0628 121.4071 56.2095 43.0563 177.0850 53 V 5.0906 7.6224 110.8906 59.9668 36.6856 173.9825 54 T 4.8668 9.0803 112.5065 60.4241 72.7609 171.9512 55 C 5.2197 8.5642 117.9117 58.0498 30.9955 173.6891 56 V 4.1444 8.5532 121.0653 61.7993 34.4735 173.4594 57 L 4.3130 8.6713 120.1770 52.7462 43.9102 177.4658 58 E 3.9120 7.9972 124.5001 57.2028 28.3437 175.0976 *68 V 3.8476 7.3208 117.3158 62.9475 32.9857 173.5780 69 Y 4.9104 8.9808 126.1575 57.5802 39.7247 174.6156 70 S 5.1799 8.8921 115.8801 55.5978 66.4202 172.8967 71 I 4.3799 8.4843 126.3503 61.1404 38.9502 175.0847 72 T 4.4742 8.3304 118.7636 60.0625 71.3289 175.3079 73 Q 4.0317 8.7254 121.3067 59.2541 28.7725 178.0125 74 A 4.0917 8.0182 121.5129 55.0308 18.5501 179.6067 75 G 3.5568 7.9721 104.2508 48.1191 0.0000 176.1556 76 R 3.9835 8.4398 121.0065 58.9052 30.0512 179.1500 77 S 4.1079 8.4627 113.2389 61.3502 62.3929 176.1128 78 A 4.0867 8.3808 123.8740 54.9277 18.0344 179.3996 79 L 4.1983 8.2210 119.1532 58.3399 42.2351 179.4728 80 G 3.6637 8.2769 105.7580 47.8014 0.0000 175.2825 81 E 4.0342 8.4883 121.8705 58.6396 29.4361 178.6923 82 W 4.3164 8.3134 127.4916 60.5838 30.8999 177.2603 83 F 3.5382 8.3901 119.2180 61.4229 38.8514 176.5721 84 D 4.4265 8.1857 117.2984 56.1062 41.0155 177.3744 85 Q 4.0402 7.1663 118.4267 54.8403 29.2591 174.5996 86 P 4.1516 0.0000 0.0000 62.9412 31.9231 175.3397 87 T 4.3093 8.1789 115.8848 60.0950 68.8407 173.0025 88 A 4.7737 8.0998 130.0400 49.8949 22.3503 174.9298 89 H 4.3486 8.4800 116.6309 55.0882 29.2876 174.4629 90 P 4.4240 0.0000 0.0000 62.3694 31.8746 176.5505 91 T 3.8303 8.3957 118.3969 63.9842 68.8578 174.0715 92 V 3.8766 8.2369 125.4776 62.8142 31.9168 176.9954 93 R 4.5915 7.9873 126.4982 54.1944 31.6968 173.2967 94 D 4.5430 8.0107 118.4441 53.3759 42.3641 175.2447 95 E 3.8681 8.7098 128.5756 59.3689 29.6832 178.5637 96 F 4.5893 8.1150 117.4594 60.7769 39.1395 177.7174 97 S 4.4246 9.7883 115.7492 61.5450 62.4346 176.4367 98 A 4.0062 8.1065 122.6724 55.2563 18.5369 179.5870 99 K 3.9059 8.2862 117.0604 59.1584 31.9740 179.2014 100 L 3.5731 7.8504 120.7186 58.5969 41.8973 179.0973 101 M 4.0524 8.2142 118.0707 58.1358 31.8815 177.9502 102 A 4.2281 7.7154 119.0347 53.5272 18.4766 178.6943 103 C 4.2841 8.0103 115.4884 61.5950 28.2656 175.4872 104 S 4.3452 7.6977 115.5850 60.1661 62.8657 175.0211 105 V 4.3736 7.5389 112.2175 60.7084 33.1919 174.8352 106 Q 4.6953 7.8217 118.4113 53.2144 31.6565 175.3851 107 S 4.1528 8.4556 114.2778 58.3601 63.1625 174.9582 108 A 4.3364 8.6602 127.2015 53.4618 18.2591 178.2637 109 E 3.9172 7.8551 116.8675 59.0479 29.5837 177.3183 110 P 4.2962 0.0000 0.0000 65.8821 31.4373 178.0714 111 Y 4.1609 8.0462 117.5448 60.9090 38.8863 177.6329 112 R 3.7070 8.2960 119.8083 59.6776 30.0166 178.3746 113 L 4.0191 7.8480 118.0990 57.7617 41.7984 179.4095 114 Q 4.0827 8.0306 118.0642 58.3955 28.5705 178.5461 115 L 3.8665 8.0201 121.7729 58.1294 42.0826 178.5584 116 A 3.9391 7.9030 120.7162 55.1674 18.0441 179.2327 117 E 3.8628 8.1779 117.5509 59.6215 29.8904 179.1893 118 L 4.1366 7.8887 117.9645 57.1194 41.5560 179.7760 119 V 3.9613 7.9672 119.0272 66.0648 31.4506 177.8033 120 E 4.0223 8.0126 118.3909 59.3927 29.2985 179.2309 121 E 3.9348 8.0210 118.4909 59.6106 29.4876 179.4411 122 S 4.1786 8.1243 115.1034 61.8266 62.9175 177.1159 123 R 3.9650 8.4380 121.0177 59.1805 29.8201 179.2913 124 K 3.9777 8.2101 118.4771 59.3700 32.0642 179.2008 125 L 3.7294 8.4027 121.0184 57.9505 41.8749 179.2275 126 V 3.6846 8.1890 118.4242 65.8265 31.4607 177.8135 127 A 4.1307 8.0786 120.5795 55.3847 18.2391 178.9087 128 H 4.0583 8.1881 116.6112 59.8981 29.8447 177.0984 129 Y 4.4220 7.7775 118.3071 61.2639 37.6686 178.6412 130 Q 4.0543 8.5371 119.2832 58.8618 28.8827 178.5687 131 E 4.0225 8.4364 119.7424 59.5258 29.5368 179.5008 132 I 3.9689 7.9151 119.7961 64.3213 37.1456 178.0834 133 E 4.1926 8.6236 120.1773 59.4588 29.3111 178.7279 134 A 4.0277 7.9646 119.1522 55.1640 18.4798 179.1654 135 A 3.8577 7.8269 118.1976 54.4687 18.5735 177.9035 136 Y 4.4593 8.0827 111.2793 57.6512 40.0176 175.4612 137 Y 4.9724 8.2192 117.4455 57.5617 39.4376 176.9313 138 A 4.0442 8.5707 124.5671 54.5381 18.8790 178.0379 139 N 4.8622 7.8763 116.0491 50.9830 40.3154 172.4744 140 P 4.2522 0.0000 0.0000 65.6297 31.6244 178.7513 141 A 4.0201 8.1125 119.1699 54.7504 18.1390 178.0570 142 V 4.1426 7.6357 112.8202 62.8740 32.2834 175.8119 143 L 4.5940 7.8153 119.4744 54.5419 42.7131 176.7922 144 D 4.7089 9.6789 122.6835 53.4309 42.9222 178.1343 145 K 3.9278 8.4922 119.3705 60.0765 32.0422 179.2335 146 Q 4.0186 8.1836 119.0738 59.5425 28.8001 178.4546 147 Q 4.4487 8.0085 118.4975 58.9677 28.9369 178.5160 148 R 4.0343 8.2857 119.2713 59.0193 30.0470 179.1600 149 L 3.9381 7.9643 118.8702 57.8205 41.6028 179.1998 150 E 3.9819 8.0820 118.4754 59.4734 29.3716 179.2669 151 R 3.0366 7.9675 118.8793 59.3630 30.1055 178.5020 152 L 3.9261 7.7587 118.7519 57.9277 41.1502 179.6353 153 T 3.8528 7.8836 109.8465 64.5368 68.5243 176.4180 154 L 3.2598 7.9248 123.3455 57.8714 42.0336 179.1838 155 R 3.8131 8.0868 118.2395 58.9838 29.8699 179.1150 156 R 3.8425 7.6123 118.2297 59.4352 30.1295 178.2094 157 N 4.3300 7.4840 115.9761 56.3473 38.4505 176.7158 158 L 4.0085 7.5090 121.5910 58.4218 42.1665 178.9609 159 L 4.0008 8.1563 118.4493 57.8025 41.6282 179.9114 160 V 3.6033 7.8464 117.9401 66.1132 31.5746 177.8388 161 R 4.0313 8.5152 118.8475 59.8335 29.8609 178.4278 162 Q 4.0916 8.6689 117.8630 58.9140 28.7044 178.6227 163 A 4.0722 8.1750 121.9056 54.9168 18.4411 179.5205 164 W 4.1292 8.7588 127.4072 60.5825 30.7517 178.3723 165 I 3.7235 8.3173 120.0220 64.3099 36.5911 178.0391 166 Q 3.9144 8.2520 120.4606 58.8948 28.8417 178.3440 167 W 3.9529 8.1690 128.9888 60.3669 30.7830 177.6205 168 A 2.8930 7.6621 121.0089 55.0358 17.5859 179.3463 169 D 4.1270 7.8369 117.1240 57.4464 40.9682 178.8322 170 E 3.8244 7.5818 118.5924 59.2130 29.3371 179.6951 171 V 3.2555 7.1176 118.1074 65.9427 31.3465 177.9119 172 L 3.7745 7.6854 117.4470 57.7506 41.5746 179.4236 173 A 4.0425 7.8524 120.4735 55.3032 18.3151 179.4538 174 E 3.8737 7.8982 116.7802 59.5208 29.3375 179.1934 175 L 4.2161 7.9363 116.7161 56.1694 41.8454 177.6543 176 N 4.7304 8.0721 116.0114 54.9761 39.8665 176.7476 177 A 4.1364 7.9767 119.6292 54.4318 18.4588 178.5598 178 M 4.1558 7.5924 114.9358 57.1562 32.0102 176.1609 179 A 4.2202 7.6811 125.8446 52.0087 19.0140 176.6508 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 2 S 8.19 4.50 0.00 4.09 4.26 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 3 L 8.66 3.24 0.00 2.01 1.69 0.80 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.05 0.00 2.00 2.29 0.00 3.46 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 5 H 7.24 3.81 0.00 1.63 1.35 0.00 5.82 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 7.00 3.35 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 0.68 0.00 0.00 0.04 0.00 0.00 7 I 7.57 3.88 1.87 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.94 0.79 0.00 0.00 8 L 8.29 3.96 0.00 1.62 1.65 0.85 0.63 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 9 T 7.66 3.85 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 10 V 7.27 3.71 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.91 0.00 0.00 11 L 7.66 4.63 0.00 1.85 1.71 0.91 0.95 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 12 S 7.85 4.34 0.00 4.01 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 13 T 7.50 4.25 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 14 R 6.70 4.52 0.00 2.15 2.02 0.00 2.78 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 15 D 8.36 4.96 0.00 2.64 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 16 A 8.67 4.90 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 17 T 9.88 4.53 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 18 G 9.30 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *19 Y 7.84 4.26 0.00 2.33 2.30 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 20 D 7.97 4.61 0.00 2.83 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 21 I 7.73 3.89 1.77 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.29 0.91 0.00 0.00 22 T 7.73 3.84 3.35 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 0.60 0.00 0.00 23 K 8.02 4.19 0.00 1.89 1.77 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.35 7.81 24 E 8.01 4.22 0.00 2.06 1.79 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 2.53 2.43 0.00 25 F 8.27 3.83 0.00 3.01 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 26 S 7.75 4.72 0.00 4.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.34 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.69 2.79 0.00 3.97 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 29 I 7.34 3.34 1.24 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 1.35 0.38 -0.24 0.00 0.00 30 G 7.45 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 7.44 4.62 0.00 3.12 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.55 4.98 0.00 3.20 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 W 7.79 4.50 0.00 3.04 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 34 K 8.23 4.38 0.00 1.68 1.57 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.35 7.81 35 A 8.32 4.85 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 36 S 9.93 4.51 0.00 3.96 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 37 H 8.86 3.72 0.00 3.24 3.52 0.00 5.83 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.23 4.07 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 39 Q 8.30 3.92 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 40 V 7.68 3.12 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 0.48 0.00 0.00 -0.18 0.00 0.00 41 Y 7.80 4.09 0.00 3.19 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 42 R 8.39 3.95 0.00 1.96 1.97 0.00 3.12 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.97 0.00 43 E 8.34 3.87 0.00 2.06 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 2.16 2.25 0.00 44 L 7.86 3.78 0.00 1.72 1.43 0.30 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.12 4.47 0.00 2.99 3.04 0.00 0.00 7.18 5.28 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 46 K 8.03 3.96 0.00 1.97 1.82 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.60 7.81 47 M 7.93 4.44 0.00 1.98 2.23 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.31 0.00 48 G 7.93 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.09 4.04 0.00 1.95 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 2.29 2.33 0.00 50 Q 8.10 4.09 0.00 2.30 2.10 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 *68 V 7.32 3.85 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 1.10 0.00 0.00 0.96 0.00 0.00 69 Y 8.98 4.91 0.00 3.16 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.89 5.18 0.00 3.88 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.48 4.38 1.87 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 1.40 0.92 0.95 0.00 0.00 72 T 8.33 4.47 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 73 Q 8.73 4.03 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 74 A 8.02 4.09 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 75 G 7.97 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 0.00 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2.44 0.00 134 A 7.96 4.03 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 0.00 135 A 7.83 3.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 8.08 4.46 0.00 2.15 2.43 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 0.00 137 Y 8.22 4.97 0.00 2.89 2.87 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 0.00 138 A 8.57 4.04 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 7.88 4.86 0.00 2.73 2.70 0.00 0.00 7.15 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 0.00 140 P 0.00 4.25 0.00 2.24 2.13 0.00 3.70 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 141 A 8.11 4.02 1.35 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 0.00 142 V 7.64 4.14 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 0.83 0.00 0.00 0.97 0.00 0.00 143 L 7.82 4.59 0.00 1.83 1.68 1.13 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 144 D 9.68 4.71 0.00 2.69 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 0.00 145 K 8.49 3.93 0.00 1.81 1.87 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.52 7.81 146 Q 8.18 4.02 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 147 Q 8.01 4.45 0.00 2.49 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 148 R 8.29 4.03 0.00 2.04 1.99 0.00 3.14 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 149 L 7.96 3.94 0.00 1.89 1.68 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 150 E 8.08 3.98 0.00 2.18 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 0.00 2.42 2.75 0.00 151 R 7.97 3.04 0.00 1.75 2.08 0.00 3.32 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 152 L 7.76 3.93 0.00 1.84 1.63 0.89 0.46 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 0.00 153 T 7.88 3.85 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 154 L 7.92 3.26 0.00 0.78 1.39 -0.11 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 155 R 8.09 3.81 0.00 1.90 1.91 0.00 3.34 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 156 R 7.61 3.84 0.00 1.86 2.00 0.00 3.11 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 157 N 7.48 4.33 0.00 2.23 2.97 0.00 0.00 6.70 6.62 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 0.00 158 L 7.51 4.01 0.00 1.69 1.84 1.04 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 159 L 8.16 4.00 0.00 1.74 1.72 0.92 0.72 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 0.00 160 V 7.85 3.60 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.00 0.00 0.00 161 R 8.52 4.03 0.00 2.22 2.03 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 162 Q 8.67 4.09 0.00 2.42 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.56 0.00 163 A 8.17 4.07 1.47 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 0.00 164 W 8.76 4.13 0.00 3.46 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 0.00 165 I 8.32 3.72 2.12 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 1.66 0.97 0.93 0.00 0.00 166 Q 8.25 3.91 0.00 2.26 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 167 W 8.17 3.95 0.00 3.33 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 A 7.66 2.89 0.37 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 0.00 169 D 7.84 4.13 0.00 2.72 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 E 7.58 3.82 0.00 1.94 1.84 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 2.25 2.42 0.00 171 V 7.12 3.26 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 -0.34 0.00 0.00 172 L 7.69 3.77 0.00 1.59 1.61 0.76 0.61 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 0.00 173 A 7.85 4.04 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 0.00 174 E 7.90 3.87 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 175 L 7.94 4.22 0.00 1.72 1.72 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 176 N 8.07 4.73 0.00 2.80 2.79 0.00 0.00 6.78 7.95 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 0.00 177 A 7.98 4.14 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 0.00 178 M 7.59 4.16 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 179 A 7.68 4.22 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 * Residues marked with a * may have inaccurate shift predictions.