NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 R 4.5122 8.1133 121.1397 56.3968 31.9246 173.9448 16 I 4.6828 8.7489 127.3861 58.9515 39.9296 173.2450 17 L 5.3923 8.6912 127.9121 53.4849 46.5793 174.5303 *19 L 3.7109 8.3596 117.0123 54.3300 43.4013 176.7787 20 G 3.4742 6.8651 109.5849 45.0462 0.0000 172.4186 21 L 4.5528 7.2982 119.2413 53.9342 42.1459 176.9482 22 D 4.4178 8.5638 119.7185 54.4392 39.7121 176.3734 23 A 3.7053 8.5644 120.0747 53.1114 16.2638 178.3762 24 A 4.0612 7.4547 121.5872 55.1284 19.0036 179.3869 25 G 4.1305 8.3829 104.0240 45.8288 0.0000 175.8481 26 K 3.7912 8.2906 120.3183 59.6578 32.0483 178.9621 27 T 3.9624 7.9210 115.2290 67.2422 68.3872 176.5025 28 T 3.9090 7.8316 116.8371 66.8053 68.5185 176.6329 29 I 3.6125 7.8569 121.9409 63.9087 36.9422 178.1037 30 L 3.6646 8.2033 121.7039 58.2143 41.8646 178.3076 31 Y 4.0715 7.9341 115.3729 59.2280 38.1343 177.6727 32 K 3.9360 8.4768 121.4794 59.3910 31.9551 178.4306 33 L 4.0407 7.5305 118.0084 56.9138 41.8959 178.7117 34 K 4.0473 7.9300 119.0741 58.5623 32.2046 177.4684 35 L 4.4402 8.4377 117.9127 54.1994 43.0142 177.3686 36 G 4.1360 8.3429 106.6122 44.7655 0.0000 173.4490 37 Q 4.6240 7.4462 117.0509 53.4345 31.9995 175.2276 38 S 4.1642 8.6015 116.4816 58.7125 62.9536 173.3644 39 V 4.7144 8.0023 118.4807 59.7983 35.0765 175.0262 40 T 4.2871 8.1387 117.6532 62.3630 68.2055 175.4099 41 T 4.2580 8.1245 116.9417 60.9258 70.1216 173.7835 42 I 4.5364 7.6224 121.2520 58.2815 40.6001 173.5329 43 P 4.1177 0.0000 0.0000 63.2423 31.1720 176.4155 44 T 4.0519 8.4644 120.9589 63.5796 68.9008 174.4617 45 V 4.0771 8.5788 126.6515 64.8525 33.8021 176.2962 46 G 3.8336 8.4280 108.7625 46.2565 0.0000 174.8674 47 F 5.1304 8.7377 110.5450 55.9366 41.4520 174.2509 48 N 5.1722 9.6883 117.0405 51.5940 42.5162 173.9656 49 V 4.9815 7.8236 118.8294 60.1661 34.4889 173.7195 50 E 4.6246 8.1874 120.5789 55.8248 34.2362 173.6649 51 T 5.0474 8.3078 117.3845 62.0183 71.6294 174.5968 52 V 4.4475 8.6477 117.8577 59.9346 35.4374 174.8801 53 T 4.7187 8.7630 123.3442 63.2834 69.3056 174.0630 54 Y 4.8556 9.5150 128.0062 56.7799 41.6338 175.0939 55 K 3.6522 9.1969 128.0881 57.7336 29.2064 175.4086 56 N 4.2155 8.3375 111.2742 53.9609 37.8315 172.7247 57 V 4.1310 7.3883 116.7134 60.8167 34.0434 175.2835 58 K 4.8614 8.4150 129.1254 54.4307 30.5028 176.1546 59 F 4.1900 8.6858 122.5030 58.1661 40.9154 173.9613 60 N 5.4331 8.8082 119.1534 51.8407 39.8974 172.0511 61 V 4.9475 8.4352 123.4561 60.7438 33.6569 174.4181 62 W 4.6619 8.9031 127.0584 55.1765 31.0809 174.3209 63 D 4.8185 9.6700 127.1790 52.8526 42.0966 175.3178 64 V 4.8427 8.2058 125.4310 60.4924 34.6181 175.1905 65 G 3.8278 8.6149 114.3708 47.0140 0.0000 173.3198 66 G 4.7618 8.6792 112.1069 44.6413 0.0000 173.6906 67 Q 4.4119 7.9225 118.6480 55.0057 29.4770 176.9168 68 D 4.4881 8.9374 121.9784 57.6381 40.5379 178.3220 69 K 3.5675 7.6014 114.7826 60.3984 32.5083 177.0733 70 I 4.0338 6.6356 117.9128 61.1670 38.0059 178.1070 71 R 2.5100 7.5022 121.8688 59.2474 30.5624 177.3708 72 P 4.4200 0.0000 0.0000 62.9837 30.6273 176.8611 73 L 4.3293 7.0084 118.7461 55.1241 42.3201 178.7934 74 W 3.8369 7.2971 119.0246 59.2939 28.9663 178.3102 75 R 2.5100 7.5975 117.7858 58.6544 29.2953 177.6278 76 H 4.3393 7.6766 115.4792 57.9111 29.8709 174.7898 77 Y 4.4665 7.8078 115.3668 58.6031 40.2251 176.4586 78 Y 4.5189 7.8511 118.2360 61.3566 38.0208 176.1460 79 T 4.1523 7.8969 117.5944 67.5690 67.9889 172.1806 80 G 3.5420 9.1983 120.0689 45.9253 0.0000 173.5647 81 T 4.0921 7.4616 116.5416 64.4055 68.9240 173.6698 82 Q 4.6041 8.1826 120.7220 55.4196 30.9887 176.0240 83 G 4.0852 7.8936 106.2135 44.8386 0.0000 172.0657 84 L 4.8360 8.9087 128.5401 53.2847 41.6552 173.3242 85 I 4.1584 8.0060 119.1865 61.3219 37.7979 175.0434 86 F 4.7729 9.3096 131.8718 56.9783 40.4132 174.5573 87 V 4.5485 7.6329 126.8581 61.4918 33.0605 175.1982 88 V 4.3189 8.3997 126.5142 61.0543 34.9311 174.0560 89 D 4.7041 8.6776 127.3776 53.2684 40.9059 175.0813 90 C 4.4637 8.5323 122.3846 59.9636 28.2978 174.3421 91 A 4.3496 7.8836 123.1975 53.6267 19.8855 177.0084 92 D 4.3232 8.2283 116.7036 55.2998 40.3938 175.8447 93 R 4.4689 8.3930 125.1176 56.3174 31.0360 177.9202 94 D 4.6255 7.9442 116.9815 55.6262 41.5951 177.0590 95 R 4.6269 8.1329 117.1911 55.3704 31.4468 176.9059 96 I 3.7022 7.4281 120.2328 64.3752 37.5005 177.5657 97 D 4.3551 7.9790 119.1808 56.2730 39.5744 177.8769 98 E 3.9743 8.2827 118.7217 58.0102 29.3301 177.3314 99 A 4.8286 7.8339 119.0711 52.7537 19.4163 178.1453 100 R 3.9648 8.1495 114.2547 58.5499 29.3276 178.7888 101 Q 4.1519 7.7204 119.1334 58.5196 29.3122 177.4662 102 E 4.0004 8.2933 119.0215 59.4418 29.3127 179.1451 103 L 3.2534 7.3292 119.4671 58.3154 42.1373 178.8118 104 H 4.0076 7.4468 114.2606 58.9605 28.5281 178.0517 105 R 3.9573 8.2258 119.9550 59.3727 29.6172 178.8295 106 I 4.0390 7.9902 120.3870 64.0105 37.2809 178.2297 107 I 3.7913 7.3966 112.9062 63.3470 37.7207 177.6017 108 N 4.4377 7.7737 118.2274 55.0505 38.7374 175.3895 109 D 4.3533 7.4552 120.6682 54.3490 41.6878 177.2193 110 R 3.8277 8.7656 123.0779 59.6593 29.2738 177.5769 111 E 3.8333 7.8880 114.7881 57.7846 29.7383 177.7201 *113 R 4.2207 8.0089 119.4733 55.6792 31.5092 174.9882 114 D 4.7803 7.6622 117.7637 52.6679 42.6745 174.4560 115 A 4.6681 8.3278 125.3708 50.6014 22.1197 175.8131 116 I 4.2093 8.5856 116.2426 61.9050 39.2870 175.3844 117 I 5.1843 9.3250 123.3506 59.5424 39.7171 173.5583 118 L 4.0443 8.3500 126.3845 54.5005 43.3779 175.4075 119 I 4.7226 8.1679 126.7163 59.6781 40.0399 175.0638 120 F 4.8676 8.9944 127.9569 55.5673 39.1234 176.3631 121 A 4.7418 8.4399 131.1355 51.7894 15.6051 176.1293 122 N 5.2799 8.1189 120.7266 52.4838 41.6029 175.4670 123 K 4.3732 8.5758 119.2798 57.7933 28.6730 178.9885 124 Q 4.1076 8.1670 119.4799 58.5680 29.1317 177.6840 125 D 4.4584 8.1072 116.4300 55.7790 39.4646 176.9538 126 L 4.1273 7.0747 118.4849 53.8913 41.7387 174.4924 127 P 4.2184 0.0000 0.0000 66.6048 31.6657 178.2415 128 D 4.8212 7.7539 118.0252 54.3217 41.1748 178.3986 129 A 4.2456 7.7655 122.8442 51.9106 18.1624 178.5137 *131 K 4.1386 8.3515 112.2025 55.9451 34.8255 174.8734 132 P 4.2678 0.0000 0.0000 66.0078 31.2353 178.8628 133 H 4.2787 8.1374 113.5771 58.6576 28.1320 177.0746 134 E 3.8513 7.5131 121.6562 58.7914 29.5169 178.3880 135 I 3.6982 7.6845 119.8643 64.5711 37.3719 177.6693 136 Q 3.9281 7.9036 119.7485 59.5446 28.7807 178.3725 137 E 3.8677 8.4763 120.2808 59.2502 29.6213 178.4431 138 K 4.0912 9.2015 118.4578 58.2228 32.3692 177.9126 139 L 4.3309 7.6347 117.7229 55.5974 41.9211 177.5473 140 G 3.9766 7.9474 106.7876 45.1443 0.0000 175.2955 141 L 3.3589 7.1679 120.3624 57.1306 41.7655 178.7500 142 T 3.8783 7.0355 113.2507 64.7566 67.8382 175.1096 143 R 4.4485 7.4660 121.3908 54.7313 28.9784 175.9661 144 I 4.6270 7.0989 117.9193 60.0614 41.5916 175.2615 145 R 4.8030 7.9439 122.5543 55.7634 33.8577 174.7308 146 D 4.5730 9.3724 116.4117 55.2028 38.0151 173.9202 147 R 4.5515 7.7986 117.9336 55.1191 33.1926 173.9159 148 N 4.8411 9.0860 123.4244 53.0550 39.5929 174.3166 149 W 5.3212 8.4021 121.4672 55.0172 30.6984 173.7545 150 Y 4.4921 8.0357 126.3585 55.3166 41.0471 174.2149 151 V 4.1716 7.3711 125.6540 61.2213 33.3591 174.5387 152 Q 4.2081 9.1993 129.9953 53.3679 31.5094 172.6082 153 P 5.0747 0.0000 0.0000 62.6614 32.6654 175.8806 154 S 5.5437 8.9512 117.5702 56.6235 67.3017 172.2649 155 C 5.0639 8.3471 120.6198 57.6301 33.2797 174.6059 156 A 3.9263 8.8936 130.4854 55.0965 18.2494 178.6675 157 T 4.3317 8.0094 104.5920 63.3883 69.5394 176.1462 158 S 4.2520 8.2378 116.2191 62.0414 64.0053 174.3818 159 G 3.6713 8.3379 109.1725 44.3455 0.0000 173.5281 160 D 4.3915 8.5286 122.4773 55.9667 41.6425 176.3716 161 G 4.9074 9.0835 113.8872 46.8690 0.0000 175.1839 162 L 4.1233 7.3120 118.9565 58.2635 41.4248 178.8997 163 Y 4.0606 7.9021 113.0985 58.9717 38.2435 177.0740 164 E 4.3097 8.1374 120.2876 58.3162 30.2650 178.4104 165 G 3.6494 8.9439 106.4554 47.4783 0.0000 175.6391 166 L 4.0090 8.3995 121.7393 58.2487 41.6933 179.5455 167 T 4.1211 7.7791 115.1950 66.7679 68.4496 176.1577 168 W 3.9380 8.1019 129.8359 60.5688 30.6087 177.5568 169 L 3.9604 8.1924 117.3896 59.3756 41.3558 179.1601 170 T 3.7810 9.2486 114.5882 67.1970 68.0991 176.1724 171 S 3.8661 8.7600 116.7148 62.5411 63.5638 176.1378 172 N 4.4215 8.3081 121.9947 52.1464 37.7299 174.9832 173 Y 4.2128 7.4244 124.0495 58.3007 39.3046 173.3260 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 15 R 8.11 4.51 0.00 2.05 1.98 0.00 3.15 0.00 0.00 3.40 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.01 0.00 16 I 8.75 4.68 2.05 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 1.34 1.16 1.02 0.00 0.00 17 L 8.69 5.39 0.00 2.05 1.65 1.21 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 *19 L 8.36 3.71 0.00 1.75 1.27 1.22 0.27 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 20 G 6.87 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 21 L 7.30 4.55 0.00 1.74 1.67 1.00 1.14 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 22 D 8.56 4.42 0.00 2.86 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 23 A 8.56 3.71 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 24 A 7.45 4.06 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 G 8.38 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.29 3.79 0.00 1.87 1.76 0.00 1.39 0.00 0.00 1.49 0.00 0.00 2.92 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.41 7.81 27 T 7.92 3.96 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 1.34 0.00 0.00 28 T 7.83 3.91 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 1.17 0.00 0.00 29 I 7.86 3.61 1.87 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.22 0.63 0.00 0.00 30 L 8.20 3.66 0.00 1.54 1.65 0.62 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 7.93 4.07 0.00 3.05 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 32 K 8.48 3.94 0.00 1.93 1.81 0.00 1.51 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.68 1.47 7.81 33 L 7.53 4.04 0.00 1.69 1.46 0.60 -0.14 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 34 K 7.93 4.05 0.00 1.47 1.56 0.00 1.63 0.00 0.00 1.60 0.00 0.00 3.33 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.53 7.81 35 L 8.44 4.44 0.00 1.84 1.74 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.34 4.14 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 0.00 0.00 0.00 37 Q 7.45 4.62 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 38 S 8.60 4.16 0.00 3.96 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 39 V 8.00 4.71 2.00 0.00 0.00 0.00 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 0.86 0.00 0.00 40 T 8.14 4.29 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 1.18 0.00 0.00 41 T 8.12 4.26 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 1.18 0.00 0.00 42 I 7.62 4.54 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.62 0.89 0.00 0.00 43 P 0.00 4.12 0.00 2.03 2.21 0.00 3.66 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 2.03 2.14 0.00 44 T 8.46 4.05 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 1.37 0.00 0.00 45 V 8.58 4.08 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 0.95 0.00 0.00 46 G 8.43 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 0.00 0.00 0.00 47 F 8.74 5.13 0.00 3.56 3.29 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 48 N 9.69 5.17 0.00 2.61 2.75 0.00 0.00 6.85 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 49 V 7.82 4.98 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 0.39 0.00 0.00 -0.25 0.00 0.00 50 E 8.19 4.62 0.00 1.60 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 2.10 1.84 0.00 51 T 8.31 5.05 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 1.30 0.00 0.00 52 V 8.65 4.45 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 0.87 0.00 0.00 1.03 0.00 0.00 53 T 8.76 4.72 4.34 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 1.26 0.00 0.00 54 Y 9.51 4.86 0.00 3.25 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 55 K 9.20 3.65 0.00 1.59 1.61 0.00 1.72 0.00 0.00 1.36 0.00 0.00 2.70 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.30 0.53 7.81 56 N 8.34 4.22 0.00 2.78 2.85 0.00 0.00 6.97 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 57 V 7.39 4.13 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 0.15 0.00 0.00 0.87 0.00 0.00 58 K 8.41 4.86 0.00 1.66 1.77 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.48 7.81 59 F 8.69 4.19 0.00 3.10 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 N 8.81 5.43 0.00 2.87 2.79 0.00 0.00 6.62 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 61 V 8.44 4.95 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 1.24 0.00 0.00 0.94 0.00 0.00 62 W 8.90 4.66 0.00 3.31 3.39 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 63 D 9.67 4.82 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 64 V 8.21 4.84 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.96 0.00 0.00 65 G 8.61 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 0.00 0.00 0.00 66 G 8.68 4.76 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 0.00 0.00 0.00 67 Q 7.92 4.41 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.70 0.00 0.00 0.00 0.00 0.00 2.66 2.40 0.00 68 D 8.94 4.49 0.00 2.65 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 69 K 7.60 3.57 0.00 1.71 1.69 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.49 7.81 70 I 6.64 4.03 1.85 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 1.33 0.73 0.91 0.00 0.00 71 R 7.50 2.51 0.00 1.49 1.24 0.00 3.08 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.78 0.00 72 P 0.00 4.42 0.00 1.89 1.93 0.00 3.41 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.92 0.00 73 L 7.01 4.33 0.00 1.48 1.54 0.89 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 74 W 7.30 3.84 0.00 3.16 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 75 R 7.60 2.51 0.00 1.78 2.02 0.00 3.17 0.00 0.00 3.61 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00 76 H 7.68 4.34 0.00 3.18 3.77 0.00 5.69 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 7.81 4.47 0.00 2.90 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 78 Y 7.85 4.52 0.00 3.07 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 79 T 7.90 4.15 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 1.20 0.00 0.00 80 G 9.20 3.54 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 81 T 7.46 4.09 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 1.39 0.00 0.00 82 Q 8.18 4.60 0.00 1.68 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 83 G 7.89 4.09 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 0.00 0.00 0.00 84 L 8.91 4.84 0.00 1.86 1.65 1.08 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.01 4.16 1.95 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 1.18 0.74 1.09 0.00 0.00 86 F 9.31 4.77 0.00 3.09 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 87 V 7.63 4.55 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 0.66 0.00 0.00 0.98 0.00 0.00 88 V 8.40 4.32 2.26 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 0.93 0.00 0.00 1.03 0.00 0.00 89 D 8.68 4.70 0.00 2.69 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 90 C 8.53 4.46 0.00 2.99 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 91 A 7.88 4.35 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 92 D 8.23 4.32 0.00 2.65 2.65 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 0.00 93 R 8.39 4.47 0.00 1.90 1.92 0.00 3.17 0.00 0.00 3.33 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 94 D 7.94 4.63 0.00 2.67 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 95 R 8.13 4.63 0.00 1.98 1.96 0.00 3.64 0.00 0.00 3.11 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 96 I 7.43 3.70 1.97 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 1.58 1.23 0.92 0.00 0.00 97 D 7.98 4.36 0.00 2.91 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 98 E 8.28 3.97 0.00 2.00 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 0.00 2.35 2.42 0.00 99 A 7.83 4.83 1.52 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 0.00 0.00 100 R 8.15 3.96 0.00 2.19 2.40 0.00 2.74 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.65 0.00 101 Q 7.72 4.15 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 102 E 8.29 4.00 0.00 2.24 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 2.76 2.56 0.00 103 L 7.33 3.25 0.00 1.18 1.46 0.14 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 104 H 7.45 4.01 0.00 3.27 3.27 0.00 5.68 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 0.00 105 R 8.23 3.96 0.00 1.90 2.02 0.00 3.17 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 1.66 1.92 0.00 106 I 7.99 4.04 2.04 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.94 0.96 0.00 0.00 107 I 7.40 3.79 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.50 0.85 0.00 0.00 108 N 7.77 4.44 0.00 2.77 2.90 0.00 0.00 6.90 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 0.00 109 D 7.46 4.35 0.00 2.68 2.47 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 0.00 110 R 8.77 3.83 0.00 1.95 2.10 0.00 3.13 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 111 E 7.89 3.83 0.00 1.82 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 2.66 2.78 0.00 *113 R 8.01 4.22 0.00 1.93 1.99 0.00 3.18 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 114 D 7.66 4.78 0.00 2.63 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 0.00 115 A 8.33 4.67 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.59 4.21 1.98 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.88 0.92 0.00 0.00 117 I 9.32 5.18 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.43 1.02 0.00 0.00 118 L 8.35 4.04 0.00 1.86 1.46 0.49 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 119 I 8.17 4.72 1.79 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.90 0.92 0.00 0.00 120 F 8.99 4.87 0.00 2.94 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 0.00 121 A 8.44 4.74 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 0.00 122 N 8.12 5.28 0.00 2.84 2.78 0.00 0.00 7.18 5.88 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 0.00 123 K 8.58 4.37 0.00 2.02 1.96 0.00 1.97 0.00 0.00 1.79 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.40 7.81 124 Q 8.17 4.11 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.08 0.00 0.00 0.00 0.00 0.00 2.71 2.30 0.00 125 D 8.11 4.46 0.00 2.77 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 0.00 126 L 7.07 4.13 0.00 1.96 1.64 0.91 0.99 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 0.00 127 P 0.00 4.22 0.00 2.17 2.01 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 128 D 7.75 4.82 0.00 2.64 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 0.00 129 A 7.77 4.25 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 *131 K 8.35 4.14 0.00 1.81 1.76 0.00 1.79 0.00 0.00 2.00 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.57 7.81 132 P 0.00 4.27 0.00 2.16 2.06 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 133 H 8.14 4.28 0.00 3.45 3.58 0.00 5.66 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 7.51 3.85 0.00 1.81 2.01 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 2.33 2.36 0.00 135 I 7.68 3.70 2.09 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 1.56 1.23 0.91 0.00 0.00 136 Q 7.90 3.93 0.00 2.32 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 137 E 8.48 3.87 0.00 2.05 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 0.00 2.29 2.32 0.00 138 K 9.20 4.09 0.00 1.89 1.80 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.51 7.81 139 L 7.63 4.33 0.00 1.65 1.59 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.95 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 0.00 0.00 0.00 141 L 7.17 3.36 0.00 1.23 0.29 0.92 0.25 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 0.00 142 T 7.04 3.88 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 0.00 143 R 7.47 4.45 0.00 1.78 1.80 0.00 3.23 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 144 I 7.10 4.63 1.51 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.70 0.86 0.00 0.00 145 R 7.94 4.80 0.00 1.81 1.91 0.00 3.39 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 1.66 1.74 0.00 146 D 9.37 4.57 0.00 2.89 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 0.00 147 R 7.80 4.55 0.00 1.98 2.04 0.00 3.39 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.89 0.00 148 N 9.09 4.84 0.00 2.92 3.29 0.00 0.00 6.62 7.68 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 0.00 149 W 8.40 5.32 0.00 3.28 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 0.00 150 Y 8.04 4.49 0.00 2.15 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 0.00 151 V 7.37 4.17 1.86 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 0.76 0.00 0.00 1.00 0.00 0.00 152 Q 9.20 4.21 0.00 1.58 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.77 0.00 0.00 0.00 0.00 0.00 2.09 2.50 0.00 153 P 0.00 5.07 0.00 2.13 1.96 0.00 3.61 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 154 S 8.95 5.54 0.00 3.79 4.09 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 0.00 155 C 8.35 5.06 0.00 2.96 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 0.00 156 A 8.89 3.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 T 8.01 4.33 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 1.17 0.00 0.00 158 S 8.24 4.25 0.00 3.99 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 0.00 159 G 8.34 3.67 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 0.00 0.00 0.00 160 D 8.53 4.39 0.00 2.75 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 0.00 161 G 9.08 4.91 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 0.00 0.00 0.00 162 L 7.31 4.12 0.00 1.59 1.41 0.67 0.13 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 0.00 163 Y 7.90 4.06 0.00 2.94 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 0.00 164 E 8.14 4.31 0.00 2.56 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 2.46 2.55 0.00 165 G 8.94 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 0.00 0.00 0.00 0.00 166 L 8.40 4.01 0.00 1.74 2.06 0.33 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 167 T 7.78 4.12 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 168 W 8.10 3.94 0.00 3.27 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 0.00 169 L 8.19 3.96 0.00 2.19 2.06 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 170 T 9.25 3.78 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 1.22 0.00 0.00 171 S 8.76 3.87 0.00 3.90 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 N 8.31 4.42 0.00 1.44 1.85 0.00 0.00 6.94 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 0.00 173 Y 7.42 4.21 0.00 2.67 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 * Residues marked with a * may have inaccurate shift predictions.