NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4955 8.3193 115.4137 58.4392 64.3586 172.5635 3 T 4.6118 8.1283 110.4144 58.0676 71.8391 171.6496 4 S 4.7952 8.5022 116.5597 56.5639 67.8464 173.5860 5 L 5.0884 8.5059 122.9302 53.8282 44.4571 175.3474 6 T 4.6970 9.1506 123.3203 61.7190 71.6876 173.2587 7 I 5.0820 8.1766 125.8097 59.4286 39.6901 174.9338 8 R 4.7153 8.6324 122.2076 54.2451 33.3988 174.0075 9 L 4.3014 8.8655 121.8940 55.3307 42.4975 177.0801 10 V 3.7621 8.0661 125.2303 62.0342 31.9098 175.3390 11 A 4.8508 10.0337 126.1162 49.7479 22.1971 176.8362 12 E 4.3435 9.1264 119.2258 60.0934 29.3069 179.8519 13 A 4.3044 7.9352 117.7701 54.2939 18.7789 178.7011 14 D 4.3242 8.4579 118.2944 56.6262 40.7504 178.5304 15 W 4.3596 7.5788 118.3737 59.3840 29.2184 176.3513 16 P 4.3230 0.0000 0.0000 65.8485 30.7173 178.4474 17 A 4.0137 7.9473 118.7152 54.9913 18.3563 179.5110 18 L 3.8317 8.0466 117.5870 58.1707 41.4869 178.9905 19 H 3.2516 8.6495 118.3090 59.0688 29.4785 176.9480 20 A 3.8375 7.5079 120.6248 55.0509 18.5559 179.0975 21 L 4.0321 8.1074 119.0845 58.4040 42.0335 178.6544 22 D 4.4516 8.2198 116.9176 57.2948 41.0661 177.9322 23 Q 4.0859 7.4232 117.8734 58.6079 28.8355 177.8440 24 I 4.0402 7.6227 119.3058 62.7313 37.3722 176.4864 25 I 4.4558 7.3241 109.2772 60.3629 38.9142 175.8183 *40 L 3.8785 7.8751 122.5498 55.0657 43.5928 178.1607 41 A 4.1118 7.6651 118.6488 53.9367 18.4720 179.1778 42 A 3.8772 7.8656 119.6228 55.2049 18.2943 178.8639 43 Y 3.9563 7.9144 116.5516 61.1181 39.0169 177.9634 44 Q 3.2934 7.3849 116.5248 58.5401 28.7280 178.6473 45 E 3.9269 7.8173 118.8593 59.0454 29.7593 179.7943 46 K 3.6960 7.8686 117.0958 57.2844 32.2385 177.7987 *48 K 4.2266 7.8746 114.6307 55.6173 33.6240 175.8674 49 D 4.7100 7.6865 118.3139 54.1471 40.9705 175.9890 50 E 4.5797 7.6516 118.2570 54.6588 32.9301 175.5214 51 T 4.2147 7.8172 119.9796 62.6129 69.6917 173.7458 52 I 4.8578 7.8065 127.3748 59.2974 40.5380 174.8507 53 F 5.3213 9.5362 125.7041 55.5503 42.3194 174.8872 54 V 4.8279 9.2113 121.6169 59.8679 34.6202 174.1231 55 A 4.9523 9.1944 126.4350 50.5818 20.9758 175.6815 56 I 4.5873 9.1611 125.4255 59.7090 39.7959 174.8147 57 S 4.8596 8.7093 123.6244 56.9866 63.9978 175.4163 58 G 3.9088 9.2055 119.6271 47.0076 0.0000 173.5197 59 Q 4.5404 9.2220 119.6820 55.2919 30.0515 173.5141 60 Q 4.5974 7.7867 115.1851 53.1320 30.9588 174.8523 61 L 4.1665 8.3117 123.0453 55.2148 42.5708 176.2095 62 A 3.8046 8.6058 128.1098 51.9720 21.3478 176.0913 63 G 4.2087 7.3781 101.5117 46.4344 0.0000 171.9115 64 F 5.5279 8.0990 114.1192 55.3832 41.9429 173.2073 65 I 5.0264 8.9764 119.8090 59.2518 41.2239 173.5765 66 E 5.2757 9.4920 129.6720 54.5962 31.4936 174.9125 67 V 5.1765 8.7186 118.4662 58.9957 36.2256 174.1215 68 H 4.9482 8.2664 116.3753 53.9187 31.4443 171.4185 69 P 5.5125 0.0000 0.0000 61.6705 31.7765 175.0835 70 P 4.3971 0.0000 0.0000 65.5160 31.2945 175.7711 71 T 4.7753 7.3254 106.4126 59.9641 71.8106 173.5995 72 S 4.3812 8.5876 116.0953 59.7071 63.3897 175.1743 73 L 4.0059 7.7097 121.9251 54.8060 42.1240 177.9655 74 A 3.9868 8.9374 125.7389 55.3914 18.4271 179.4057 75 A 4.1259 7.9586 116.7009 54.7518 18.6766 177.5956 76 H 4.8437 8.1041 112.2094 56.1291 29.1304 176.4326 77 Q 4.4084 8.0925 118.1738 57.0092 28.9164 176.3404 78 K 4.5099 7.9303 117.2889 55.9120 33.7387 175.0803 79 Q 5.0241 8.1004 121.4815 54.0681 32.7597 173.9799 80 W 5.4442 8.8755 125.5658 54.7772 31.7093 174.8751 81 L 4.8745 8.9913 128.5713 54.8468 42.5450 175.6172 82 L 5.2734 8.6881 126.4157 54.2150 43.4302 175.8882 83 S 4.6531 8.9143 114.6528 57.0368 65.7724 172.5109 84 I 4.6745 8.6132 127.6424 59.4233 39.5848 175.2539 85 G 3.5434 7.7236 112.5964 44.1017 0.0000 171.4096 86 V 4.7669 8.0313 124.4643 60.5383 34.1490 175.1712 87 S 4.3323 9.1870 123.0327 57.9349 62.9441 173.5135 88 P 4.3013 0.0000 0.0000 65.2920 31.2545 176.9524 89 D 4.6156 7.9434 115.9625 54.3505 40.9224 176.3269 90 F 4.8488 7.7693 118.2124 57.0849 40.4371 175.2880 91 Q 4.1296 8.1101 118.4295 56.6395 29.5923 175.6845 92 D 4.6672 8.5730 117.4368 55.8370 38.3907 174.0868 93 Q 4.4876 7.2757 108.0662 55.8883 29.7920 175.6998 94 G 3.9570 8.4989 104.3489 47.7734 0.0000 176.5814 95 I 3.7153 7.9143 122.2533 64.0024 37.1216 178.1220 96 G 3.6815 8.0923 106.1497 47.9695 0.0000 175.6962 97 G 3.6714 8.2135 108.0430 47.4623 0.0000 175.7880 98 S 4.1624 8.1413 117.5889 61.2498 62.7769 176.6844 99 L 3.9988 7.9584 121.5995 57.8592 41.4224 179.5109 100 L 4.0308 7.9886 118.7262 58.0090 41.4469 179.5755 101 S 4.0694 8.3043 113.1073 61.5487 62.0696 175.6358 102 Y 3.9734 7.9302 121.3037 60.6429 38.6257 177.3065 103 I 3.7710 7.9479 118.7873 63.9990 38.3244 177.7329 104 K 4.2302 8.0952 119.4705 59.2539 31.4833 178.6969 105 D 4.6583 7.6605 117.1712 54.7602 40.6586 178.0987 *107 A 3.7483 7.9496 124.6271 52.1088 20.9177 179.3864 108 E 3.8664 7.9552 116.4236 59.2805 29.7595 179.1007 109 I 3.9471 7.2421 110.5426 63.4680 37.9898 177.2097 110 S 4.1596 7.9127 115.3463 59.3644 62.8544 174.9060 111 G 3.8030 7.5571 107.2816 45.7263 0.0000 173.3500 112 I 3.6929 7.3209 120.8717 60.8895 37.6698 175.6145 113 H 4.5534 9.1853 125.7895 57.8480 31.3094 174.7727 114 K 4.7223 7.7122 118.4771 54.7790 35.7839 174.6364 115 L 5.4868 8.8337 127.2647 53.3705 44.8114 175.5297 116 S 5.4343 8.9409 116.0004 57.7002 67.2763 172.1931 117 L 4.7460 8.6614 118.8374 55.4266 43.8338 173.6570 118 R 5.3711 8.6244 118.4289 54.2782 32.1608 176.4189 119 V 4.2673 9.0509 124.7878 61.1813 34.2207 177.6852 *121 A 4.1709 8.8293 117.8903 52.1839 20.1092 178.1875 122 T 3.9901 7.8996 103.0095 63.0680 69.7108 175.0101 123 N 4.6892 7.5368 123.4413 52.1170 37.6294 174.6304 124 Q 4.0357 8.2186 123.5464 58.6615 29.5190 176.7636 125 E 3.8920 8.2265 119.5134 59.3818 29.6536 178.4979 126 A 4.0184 8.0854 120.1398 55.1561 18.4613 179.4166 127 I 3.4777 7.8510 118.3074 64.7909 37.2168 178.8711 128 R 3.9157 8.1784 118.6677 59.1032 29.9489 178.5722 129 F 4.0323 8.3499 120.5683 61.8637 39.2979 176.8940 130 Y 3.5930 8.0148 116.1327 60.8909 37.5934 178.4418 131 E 4.3816 8.1476 120.9194 58.8057 29.3399 179.2074 132 K 3.9358 8.2153 119.1772 59.3408 32.1402 177.3100 133 H 4.6977 7.6360 114.5497 55.4146 29.0763 175.9729 134 G 4.1366 7.9632 107.8549 45.8236 0.0000 174.1517 135 F 4.9431 8.7032 118.6704 57.0597 40.4829 175.1528 136 V 4.7296 9.0391 115.5032 59.3400 35.1784 174.8605 137 Q 3.6914 8.6538 125.3292 56.2795 28.8294 175.3616 138 E 4.6814 9.1031 125.1367 56.5422 32.0038 176.0415 139 A 4.3334 7.4601 120.1468 50.5902 22.8772 174.7362 140 H 4.7863 8.3565 120.7141 54.2072 31.6874 172.3128 141 F 4.5577 8.9197 125.0392 56.6950 39.5363 174.9601 142 K 4.6319 8.7027 123.8156 55.8226 33.1832 177.0417 143 E 3.8893 9.3186 122.9376 57.5979 27.6526 175.0999 144 E 4.1190 8.6662 120.0280 57.4086 30.9217 175.9262 145 F 5.0979 7.8525 117.2394 55.6122 41.3963 173.5899 146 Y 4.3519 8.8137 126.8670 56.7362 39.2175 174.0575 147 I 4.2354 8.1608 128.3790 59.8939 39.6193 175.3276 148 N 4.0894 9.5652 127.1331 54.3824 37.0266 174.7142 149 G 3.9885 6.9431 105.2254 43.1221 0.0000 172.4670 150 H 4.9002 7.4456 115.9278 53.9978 31.9003 171.9159 151 Y 5.1918 8.4355 118.2084 56.7473 39.8458 175.1115 152 C 5.0588 9.3001 120.7962 58.1191 31.8354 173.3457 153 D 5.2378 8.6817 121.5502 53.9195 42.1505 175.2386 154 D 4.9877 8.9287 119.1592 53.0131 45.2233 173.7193 155 Y 5.3977 9.4481 121.7573 56.3596 41.6698 174.2010 156 Q 5.2662 8.5993 122.8312 54.7629 31.9217 173.8685 157 Y 5.2534 9.1847 123.5664 56.3493 41.0994 174.5995 158 A 5.2947 9.3851 123.4983 50.3938 23.2462 174.2589 159 Y 4.3361 8.7228 121.0414 55.4620 41.9268 174.2701 160 F 4.6738 7.5385 125.0449 55.4240 40.3639 175.8476 161 I 3.9813 7.8891 124.2377 61.5723 36.4814 176.2950 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 8.32 4.50 0.00 4.00 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 3 T 8.13 4.61 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 1.23 0.00 0.00 4 S 8.50 4.80 0.00 3.86 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 5 L 8.51 5.09 0.00 1.61 1.54 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 6 T 9.15 4.70 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 1.18 0.00 0.00 7 I 8.18 5.08 1.49 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.48 -0.01 0.00 0.00 8 R 8.63 4.72 0.00 1.88 1.99 0.00 2.77 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 9 L 8.87 4.30 0.00 1.81 1.67 0.38 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.07 3.76 1.78 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 0.55 0.00 0.00 0.08 0.00 0.00 11 A 10.03 4.85 1.18 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 0.00 0.00 12 E 9.13 4.34 0.00 2.10 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 0.00 2.51 2.52 0.00 13 A 7.94 4.30 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 14 D 8.46 4.32 0.00 2.21 2.37 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 15 W 7.58 4.36 0.00 3.52 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 0.00 16 P 0.00 4.32 0.00 2.19 2.17 0.00 3.82 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 2.18 2.25 0.00 17 A 7.95 4.01 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 18 L 8.05 3.83 0.00 1.87 1.88 0.05 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 19 H 8.65 3.25 0.00 3.17 3.57 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.51 3.84 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 21 L 8.11 4.03 0.00 1.91 1.85 1.10 1.43 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 22 D 8.22 4.45 0.00 2.66 2.36 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 23 Q 7.42 4.09 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 24 I 7.62 4.04 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 1.55 0.68 0.90 0.00 0.00 25 I 7.32 4.46 1.88 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 1.48 0.73 0.90 0.00 0.00 *40 L 7.88 3.88 0.00 1.65 1.66 0.92 1.08 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 41 A 7.67 4.11 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 42 A 7.87 3.88 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 43 Y 7.91 3.96 0.00 2.94 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 44 Q 7.38 3.29 0.00 2.05 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.58 0.00 45 E 7.82 3.93 0.00 1.97 1.88 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 2.21 2.36 0.00 46 K 7.87 3.70 0.00 1.88 1.66 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.43 7.81 *48 K 7.87 4.23 0.00 1.56 1.75 0.00 1.48 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.05 7.81 49 D 7.69 4.71 0.00 2.68 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 50 E 7.65 4.58 0.00 1.85 1.75 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 2.13 2.20 0.00 51 T 7.82 4.21 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 0.97 0.00 0.00 52 I 7.81 4.86 1.62 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.77 0.71 0.00 0.00 53 F 9.54 5.32 0.00 2.96 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 54 V 9.21 4.83 1.93 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 0.71 0.00 0.00 0.80 0.00 0.00 55 A 9.19 4.95 1.13 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 56 I 9.16 4.59 1.79 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 1.01 0.80 0.91 0.00 0.00 57 S 8.71 4.86 0.00 3.61 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 0.00 58 G 9.21 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 0.00 0.00 0.00 59 Q 9.22 4.54 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.71 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 60 Q 7.79 4.60 0.00 2.35 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 61 L 8.31 4.17 0.00 1.48 1.51 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.61 3.80 0.55 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 63 G 7.38 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 64 F 8.10 5.53 0.00 3.17 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 65 I 8.98 5.03 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.18 1.07 0.00 0.00 66 E 9.49 5.28 0.00 2.19 1.92 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 2.34 2.40 0.00 67 V 8.72 5.18 1.12 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 0.93 0.00 0.00 -0.15 0.00 0.00 68 H 8.27 4.95 0.00 3.26 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 5.51 0.00 2.30 2.34 0.00 3.91 0.00 0.00 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 70 P 0.00 4.40 0.00 2.06 2.18 0.00 3.96 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 1.59 1.88 0.00 71 T 7.33 4.78 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 72 S 8.59 4.38 0.00 3.92 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 73 L 7.71 4.01 0.00 1.77 1.64 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.94 3.99 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 75 A 7.96 4.13 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 76 H 8.10 4.84 0.00 3.44 3.36 0.00 5.63 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 77 Q 8.09 4.41 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 7.26 0.00 0.00 0.00 0.00 0.00 2.65 2.52 0.00 78 K 7.93 4.51 0.00 1.68 1.74 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.40 7.81 79 Q 8.10 5.02 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.23 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 80 W 8.88 5.44 0.00 3.36 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 81 L 8.99 4.87 0.00 1.82 1.43 0.96 0.33 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 82 L 8.69 5.27 0.00 1.76 1.77 1.05 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.91 4.65 0.00 3.97 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 84 I 8.61 4.67 1.82 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.82 0.73 0.00 0.00 85 G 7.72 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 86 V 8.03 4.77 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 0.78 0.00 0.00 0.73 0.00 0.00 87 S 9.19 4.33 0.00 3.99 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 88 P 0.00 4.30 0.00 2.07 2.09 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 89 D 7.94 4.62 0.00 2.56 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 90 F 7.77 4.85 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 91 Q 8.11 4.13 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.06 6.35 0.00 0.00 0.00 0.00 0.00 2.56 2.28 0.00 92 D 8.57 4.67 0.00 2.75 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 93 Q 7.28 4.49 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.48 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 94 G 8.50 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 95 I 7.91 3.72 1.81 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 1.59 1.10 0.82 0.00 0.00 96 G 8.09 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 0.00 0.00 0.00 97 G 8.21 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 98 S 8.14 4.16 0.00 4.01 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 99 L 7.96 4.00 0.00 1.89 1.74 0.81 0.39 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 0.00 100 L 7.99 4.03 0.00 1.74 1.65 0.42 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.30 4.07 0.00 3.89 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 0.00 102 Y 7.93 3.97 0.00 3.02 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 0.00 103 I 7.95 3.77 2.10 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.11 1.10 0.00 0.00 104 K 8.10 4.23 0.00 1.98 1.83 0.00 1.48 0.00 0.00 1.18 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.15 1.47 7.81 105 D 7.66 4.66 0.00 2.63 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *107 A 7.95 3.75 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 0.00 108 E 7.96 3.87 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 109 I 7.24 3.95 1.86 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 1.42 0.71 0.88 0.00 0.00 110 S 7.91 4.16 0.00 3.72 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 0.00 111 G 7.56 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 0.00 112 I 7.32 3.69 1.22 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 -0.36 0.52 0.00 0.00 113 H 9.19 4.55 0.00 3.18 3.38 0.00 5.77 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.71 4.72 0.00 1.76 1.49 0.00 1.76 0.00 0.00 1.99 0.00 0.00 2.71 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.07 0.42 7.81 115 L 8.83 5.49 0.00 1.72 1.80 1.06 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.94 5.43 0.00 4.07 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.66 4.75 0.00 1.69 1.71 0.31 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.62 5.37 0.00 1.84 2.27 0.00 3.22 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.76 0.00 119 V 9.05 4.27 2.28 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 0.83 0.00 0.00 1.16 0.00 0.00 *121 A 8.83 4.17 1.10 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 0.00 0.00 122 T 7.90 3.99 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 1.24 0.00 0.00 123 N 7.54 4.69 0.00 2.79 2.84 0.00 0.00 6.71 6.80 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 0.00 124 Q 8.22 4.04 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 125 E 8.23 3.89 0.00 2.06 1.93 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 2.31 2.32 0.00 126 A 8.09 4.02 1.48 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 0.00 0.00 127 I 7.85 3.48 2.10 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.01 0.95 0.00 0.00 128 R 8.18 3.92 0.00 2.01 1.99 0.00 3.27 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 129 F 8.35 4.03 0.00 2.95 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 0.00 130 Y 8.01 3.59 0.00 2.66 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.15 4.38 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.17 0.00 132 K 8.22 3.94 0.00 1.73 1.88 0.00 1.73 0.00 0.00 1.52 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.41 7.81 133 H 7.64 4.70 0.00 2.95 3.19 0.00 5.75 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 7.96 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 0.00 135 F 8.70 4.94 0.00 3.20 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 0.00 136 V 9.04 4.73 2.16 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 0.83 0.00 0.00 1.07 0.00 0.00 137 Q 8.65 3.69 0.00 1.33 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.86 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 138 E 9.10 4.68 0.00 1.81 1.96 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 2.31 2.29 0.00 139 A 7.46 4.33 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 H 8.36 4.79 0.00 3.21 3.15 0.00 5.73 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 F 8.92 4.56 0.00 3.00 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 0.00 142 K 8.70 4.63 0.00 1.60 1.69 0.00 1.83 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.23 1.24 7.81 143 E 9.32 3.89 0.00 1.93 1.73 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 2.33 2.24 0.00 144 E 8.67 4.12 0.00 1.87 1.88 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 1.70 1.47 0.00 145 F 7.85 5.10 0.00 3.20 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 0.00 146 Y 8.81 4.35 0.00 2.92 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 0.00 147 I 8.16 4.24 1.74 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 1.31 0.96 0.82 0.00 0.00 148 N 9.57 4.09 0.00 2.63 2.67 0.00 0.00 7.44 7.98 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 0.00 149 G 6.94 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 0.00 150 H 7.45 4.90 0.00 3.11 3.15 0.00 5.79 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.44 5.19 0.00 2.95 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 C 9.30 5.06 0.00 2.98 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 0.00 153 D 8.68 5.24 0.00 2.49 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.93 4.99 0.00 2.83 2.71 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 0.00 155 Y 9.45 5.40 0.00 3.17 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 8.60 5.27 0.00 2.53 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.67 0.00 157 Y 9.18 5.25 0.00 3.00 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 0.00 158 A 9.39 5.29 1.10 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 0.00 0.00 159 Y 8.72 4.34 0.00 1.43 1.89 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 0.00 160 F 7.54 4.67 0.00 2.66 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 0.00 161 I 7.89 3.98 1.79 0.00 0.00 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 1.16 0.86 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.