NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 S 4.5800 8.3344 116.8244 57.3199 65.2731 175.6518 17 R 4.6520 8.5340 129.7412 54.3915 32.0706 173.9897 18 W 4.8881 9.4752 116.4072 57.3931 29.9300 176.9615 19 N 3.6726 7.9558 111.6712 52.9462 34.0260 170.0383 20 P 4.8790 0.0000 0.0000 62.6264 32.0945 175.6728 21 M 4.8423 8.5823 123.4040 53.2490 36.5161 174.9706 22 F 4.7842 8.4329 118.6365 56.9371 40.6225 177.2409 23 I 3.7192 9.7344 124.0798 64.6235 36.6890 179.0529 24 S 4.2093 8.1536 114.2781 61.6877 62.9528 176.0798 25 D 4.5036 8.1032 121.8361 56.7265 40.7645 178.6232 26 V 3.3548 7.4283 118.6654 66.1665 31.3424 177.3155 27 H 4.4723 8.0157 113.1276 57.0505 28.6464 176.5083 28 K 4.4889 7.6716 119.4193 55.2697 33.0588 176.4214 29 I 4.1699 7.1776 121.4957 61.3893 37.7380 175.6750 30 S 4.7870 8.9688 121.6965 57.2836 64.8593 173.1969 31 F 5.0928 8.7703 120.4268 55.9102 42.6196 175.0317 32 H 4.9024 8.4543 115.8513 56.6778 29.3341 174.0116 33 P 3.8192 0.0000 0.0000 65.2578 32.8375 176.9873 34 H 4.6318 7.9693 115.5457 54.8673 27.3345 174.6875 *38 Y 4.6044 7.5179 117.6315 57.1531 40.2970 175.9440 39 I 4.7887 7.8043 110.3225 59.0263 41.2319 174.6054 40 G 3.5666 8.7747 109.9080 44.1247 0.0000 171.2006 41 F 5.3828 8.7959 117.3323 55.2583 42.9145 174.4046 42 W 5.0531 9.4040 133.4939 56.0986 33.2494 174.9810 43 M 2.9961 9.8872 126.5965 56.1818 28.8464 178.2241 44 G 3.9059 8.4961 107.0303 45.0384 0.0000 174.0667 45 F 5.2962 7.8452 119.8790 55.7345 40.7531 173.4871 46 P 4.2027 0.0000 0.0000 62.6831 32.1001 175.6428 47 I 4.6305 8.8553 125.0596 59.8759 40.7880 174.9277 48 R 4.0492 8.6718 124.6500 57.4146 32.8809 174.1756 49 W 5.0993 8.1118 117.1019 55.4487 30.3707 175.5740 50 I 5.1453 8.9356 124.8227 59.5815 41.6412 173.9619 51 Q 5.1029 8.8169 124.9818 54.3159 31.9730 174.2326 52 I 4.9628 8.6759 118.6632 59.1595 41.6252 174.3476 53 V 4.8359 8.0467 122.1233 61.6597 34.4677 174.4296 54 G 4.2508 8.5966 113.6874 46.3786 0.0000 171.4251 55 Y 5.2964 8.0135 117.9821 55.6551 40.6589 175.1744 56 I 4.3608 8.9174 122.5557 61.3926 37.5236 176.5652 57 A 4.4818 9.1160 129.8151 53.8016 19.8329 176.6853 58 A 4.5681 7.4996 114.3325 51.3907 22.8027 175.4108 59 I 4.9735 8.3039 119.2631 59.7070 40.6392 174.8213 60 D 5.0271 9.3112 126.4952 52.5251 44.5113 174.7256 61 I 4.8512 8.3639 123.1175 60.0441 38.9646 174.4994 62 Y 4.5657 8.9800 123.5596 55.5902 41.4145 174.2006 63 E 3.9972 8.8023 121.6598 57.7213 29.2168 176.3753 64 G 4.0187 10.6365 115.1302 44.9341 0.0000 171.3833 65 K 4.8881 7.5797 115.6648 56.0960 36.2638 174.1187 66 H 5.3758 8.9781 119.3644 54.1268 31.9414 173.2983 67 V 4.9258 9.0250 122.3384 61.1718 34.4557 173.9162 68 L 5.0618 9.0327 128.3568 53.4611 44.0831 175.5395 69 T 4.8026 8.7971 121.5117 62.5198 70.0961 173.9706 70 V 4.6859 8.7176 126.7449 60.9332 34.7988 173.5916 71 D 5.0088 8.4116 126.7830 52.1485 43.5409 175.6136 72 D 4.7920 8.7220 123.9275 53.0559 39.8098 176.1338 73 C 3.8733 8.7872 115.2494 61.1063 26.0080 173.9217 74 S 4.1499 8.2013 112.9447 58.3700 62.8346 174.8728 75 G 4.0905 8.6964 108.7632 45.9359 0.0000 173.6085 76 M 4.7902 7.4944 117.0957 53.8315 36.0711 174.2987 77 V 4.5784 8.0702 113.7284 59.6874 34.9333 174.8096 78 L 4.8010 8.5648 123.3232 53.3824 45.5236 175.4336 79 R 4.5358 8.5588 124.9672 55.7154 31.6893 175.2376 80 V 4.4792 8.9113 125.0678 61.1370 33.6541 174.3262 81 V 4.4328 8.7878 129.1384 61.5966 33.4595 174.5422 82 F 4.6972 9.1622 127.3816 55.5957 41.0064 175.3888 83 I 4.1509 8.2900 126.1566 60.7265 36.6060 177.1053 84 I 4.0291 8.5272 128.6670 64.2349 36.8275 178.3265 85 Q 4.1848 8.0688 116.2699 59.2644 28.4846 177.7590 86 D 4.7090 8.0531 120.4954 56.4289 42.0467 176.2314 87 D 4.7002 7.9805 116.1875 51.8810 43.3556 174.8877 88 F 4.1931 8.7948 126.5601 61.0023 39.5343 175.8506 89 S 4.0650 8.2655 111.9915 61.8602 62.2445 175.6554 90 M 4.1504 8.7460 120.8007 58.8804 31.9705 178.4046 91 S 4.0284 8.3156 115.3812 61.3072 62.7264 176.6249 92 K 3.7061 7.6512 121.4728 59.5322 32.2730 178.8438 93 R 4.0342 7.9836 118.1258 58.9645 29.8715 178.9186 94 A 3.4270 7.8565 120.9487 54.7598 18.0657 178.9795 95 I 3.9847 6.9446 107.7130 61.6196 38.0412 177.1532 96 S 4.4055 7.4317 115.0590 58.9740 63.6069 174.2252 97 M 4.3988 7.0083 121.9424 55.2511 32.7536 175.5098 98 S 4.8120 8.0896 114.9872 55.7262 66.6743 172.2473 99 P 4.6619 0.0000 0.0000 64.3991 31.5189 176.2740 100 G 4.1721 9.1440 111.1016 45.6123 0.0000 174.1065 101 N 4.6060 8.3520 117.2096 53.3587 40.0521 174.3253 102 V 4.8689 8.3968 121.8376 61.7082 33.7714 174.9454 103 V 5.0465 9.0001 120.2923 59.7223 36.3277 174.0124 104 C 4.9890 9.1122 123.8029 57.8036 33.6907 172.6036 105 V 5.0350 8.8848 126.9392 61.0273 34.2235 173.7547 106 F 5.2133 8.9490 130.2596 56.7790 42.0429 174.6590 107 G 4.0446 8.0513 111.8572 45.8867 0.0000 171.5952 108 K 4.7692 7.8787 118.7665 54.4406 35.1337 176.0276 109 I 4.2028 7.6938 115.9589 60.9302 38.8348 174.7299 110 N 4.8025 8.9280 123.2460 51.3373 41.7464 174.8030 111 S 4.2276 7.9993 121.9274 57.6060 63.6836 175.3630 112 F 4.0397 8.4522 124.9183 61.8942 39.2308 175.1762 113 R 4.3819 7.5699 118.5025 54.0141 31.8792 177.2159 114 S 4.0419 8.4457 113.4181 60.5332 62.9610 174.0246 115 E 4.4867 7.2886 122.5966 53.8995 30.2559 175.7846 116 V 4.0456 8.1897 126.3341 61.9115 32.5135 174.8117 117 E 4.6898 8.7669 119.3362 54.7901 34.0097 173.4324 118 L 4.8154 8.4827 121.9012 53.2768 44.7233 175.0857 119 I 4.3689 8.3802 127.9527 59.8087 38.1509 175.2356 120 A 4.2003 8.1905 130.5771 52.1355 18.0813 176.6486 121 Q 4.6126 8.9204 123.3977 57.3543 31.1561 175.6119 122 S 5.0181 7.9905 110.5885 57.8990 65.8789 174.2002 123 F 5.5630 8.6265 115.0861 56.2336 40.6911 172.8933 124 E 4.2662 9.0021 116.8281 54.5193 33.0811 173.9904 125 E 4.5986 8.6049 123.3297 56.0486 30.8431 175.5456 126 L 4.5756 8.8576 127.3876 53.5662 42.5389 176.6221 127 R 4.3505 8.6742 122.1731 55.7342 31.2695 175.6079 128 D 4.6497 7.8559 120.0011 52.0962 41.5230 175.2443 129 P 4.2296 0.0000 0.0000 65.3371 31.5857 177.1864 130 N 4.5041 8.9332 115.4143 54.9102 39.1983 177.0387 131 D 3.9912 7.9412 119.1119 57.0369 40.7041 178.5626 132 E 3.4742 7.6042 118.8357 58.9134 29.4712 179.2598 133 W 3.6276 7.1845 116.0558 59.1586 28.1738 178.3521 134 K 3.7440 6.6289 119.4075 59.0315 31.3329 179.1355 135 A 3.9634 7.4943 121.1509 54.8317 18.2682 179.7861 136 W 4.5865 8.0902 117.6429 59.9216 29.1679 178.4556 137 Q 4.2241 8.8265 119.9836 59.2962 28.5713 178.2590 138 K 4.0189 8.3416 120.5940 59.8422 32.1946 178.9372 139 R 3.9841 8.0769 118.1851 59.4697 29.8585 178.9949 140 M 4.4305 8.5340 118.6977 58.3340 31.9964 178.8348 141 R 4.0064 8.3022 119.0807 59.5052 30.2929 177.9232 142 Y 4.1044 8.3874 119.4374 60.7074 38.8891 177.9535 143 K 4.0714 8.6213 120.6198 59.5033 32.3559 178.9118 144 K 4.0314 8.2922 118.7995 59.5121 32.0040 179.1466 145 N 4.3043 8.2208 116.7114 56.3624 38.3983 177.5464 146 L 4.0089 7.8366 120.3838 57.9728 41.6249 179.7354 147 T 3.7210 7.9073 115.7555 66.4440 68.3681 176.8675 148 K 3.9801 7.9814 120.3084 59.4765 32.1055 179.4538 149 I 3.7385 7.8204 120.0350 64.5618 37.0942 178.4113 150 S 4.1197 8.4951 114.1788 61.4215 61.8946 176.3941 151 K 4.0601 7.8657 120.2749 59.2054 31.8454 178.7263 152 N 4.5359 8.0225 116.1798 55.7688 38.6552 176.2541 153 H 4.6102 8.2711 118.2022 57.2869 30.2545 174.5910 154 H 4.3896 8.0086 122.0009 55.8244 28.8534 174.0365 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 16 S 8.33 4.58 0.00 4.00 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 17 R 8.53 4.65 0.00 1.87 1.84 0.00 3.22 0.00 0.00 3.28 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 18 W 9.48 4.89 0.00 3.34 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 19 N 7.96 3.67 0.00 3.16 3.44 0.00 0.00 6.84 8.03 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 20 P 0.00 4.88 0.00 2.06 2.30 0.00 2.33 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.95 0.00 21 M 8.58 4.84 0.00 1.52 1.75 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.21 0.00 22 F 8.43 4.78 0.00 3.30 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 23 I 9.73 3.72 2.08 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 1.57 0.82 0.98 0.00 0.00 24 S 8.15 4.21 0.00 4.05 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.10 4.50 0.00 2.69 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.43 3.35 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 0.89 0.00 0.00 0.85 0.00 0.00 27 H 8.02 4.47 0.00 3.36 3.33 0.00 5.68 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.67 4.49 0.00 1.96 1.96 0.00 1.84 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.70 7.81 29 I 7.18 4.17 1.96 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.52 0.47 0.00 0.00 30 S 8.97 4.79 0.00 3.86 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 31 F 8.77 5.09 0.00 2.85 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 32 H 8.45 4.90 0.00 3.25 3.24 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 3.82 0.00 1.85 2.08 0.00 4.07 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 34 H 7.97 4.63 0.00 3.21 3.33 0.00 5.69 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 Y 7.52 4.60 0.00 2.94 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 39 I 7.80 4.79 1.61 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 1.33 0.55 0.90 0.00 0.00 40 G 8.77 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.80 5.38 0.00 2.95 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 9.40 5.05 0.00 3.28 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 43 M 9.89 3.00 0.00 1.60 1.38 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 2.13 0.00 44 G 8.50 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 45 F 7.85 5.30 0.00 3.25 2.91 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 46 P 0.00 4.20 0.00 1.92 1.86 0.00 3.93 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 47 I 8.86 4.63 1.83 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 1.51 1.21 0.94 0.00 0.00 48 R 8.67 4.05 0.00 1.69 1.67 0.00 3.20 0.00 0.00 3.30 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.28 0.00 49 W 8.11 5.10 0.00 3.54 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 50 I 8.94 5.15 1.77 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 1.10 0.78 0.85 0.00 0.00 51 Q 8.82 5.10 0.00 1.66 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.69 0.00 0.00 0.00 0.00 0.00 1.95 1.88 0.00 52 I 8.68 4.96 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.97 0.84 0.00 0.00 53 V 8.05 4.84 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 0.86 0.00 0.00 0.86 0.00 0.00 54 G 8.60 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 0.00 0.00 0.00 0.00 55 Y 8.01 5.30 0.00 3.25 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 56 I 8.92 4.36 1.94 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 1.15 0.85 0.97 0.00 0.00 57 A 9.12 4.48 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 58 A 7.50 4.57 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 59 I 8.30 4.97 1.86 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 0.70 0.87 0.00 0.00 60 D 9.31 5.03 0.00 2.80 2.66 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 61 I 8.36 4.85 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.44 0.98 0.00 0.00 62 Y 8.98 4.57 0.00 3.12 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 63 E 8.80 4.00 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 64 G 10.64 4.02 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 0.00 0.00 0.00 65 K 7.58 4.89 0.00 1.90 1.83 0.00 1.06 0.00 0.00 1.51 0.00 0.00 2.61 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.33 7.81 66 H 8.98 5.38 0.00 3.10 3.15 0.00 5.55 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 67 V 9.03 4.93 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 1.03 0.00 0.00 0.67 0.00 0.00 68 L 9.03 5.06 0.00 1.69 1.55 0.66 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.80 4.80 4.23 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 1.18 0.00 0.00 70 V 8.72 4.69 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 0.98 0.00 0.00 0.90 0.00 0.00 71 D 8.41 5.01 0.00 2.42 1.54 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 72 D 8.72 4.79 0.00 3.12 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 73 C 8.79 3.87 0.00 2.99 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 74 S 8.20 4.15 0.00 3.87 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.70 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 76 M 7.49 4.79 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 77 V 8.07 4.58 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 0.62 0.00 0.00 0.91 0.00 0.00 78 L 8.56 4.80 0.00 1.69 1.41 0.78 0.96 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 79 R 8.56 4.54 0.00 1.75 1.76 0.00 3.11 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 80 V 8.91 4.48 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 0.65 0.00 0.00 0.90 0.00 0.00 81 V 8.79 4.43 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 0.84 0.00 0.00 0.79 0.00 0.00 82 F 9.16 4.70 0.00 3.12 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 83 I 8.29 4.15 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.50 0.93 0.00 0.00 84 I 8.53 4.03 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 2.30 1.08 0.00 0.00 85 Q 8.07 4.18 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.11 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 86 D 8.05 4.71 0.00 2.92 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 87 D 7.98 4.70 0.00 2.71 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 88 F 8.79 4.19 0.00 3.18 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 89 S 8.27 4.06 0.00 4.01 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 90 M 8.75 4.15 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.15 3.12 0.00 91 S 8.32 4.03 0.00 3.93 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.65 3.71 0.00 1.34 1.81 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.31 7.81 93 R 7.98 4.03 0.00 2.24 2.06 0.00 3.12 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 94 A 7.86 3.43 0.13 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 95 I 6.94 3.98 1.69 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 1.55 0.57 0.53 0.00 0.00 96 S 7.43 4.41 0.00 4.02 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 M 7.01 4.40 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.95 0.00 98 S 8.09 4.81 0.00 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 0.00 99 P 0.00 4.66 0.00 2.08 2.06 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 100 G 9.14 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.35 4.61 0.00 2.80 2.81 0.00 0.00 6.39 7.25 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 0.00 102 V 8.40 4.87 2.31 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 1.00 0.00 0.00 1.10 0.00 0.00 103 V 9.00 5.05 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 0.83 0.00 0.00 1.03 0.00 0.00 104 C 9.11 4.99 0.00 2.91 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 0.00 105 V 8.88 5.03 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 0.89 0.00 0.00 1.01 0.00 0.00 106 F 8.95 5.21 0.00 2.93 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.05 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.88 4.77 0.00 1.01 0.74 0.00 0.94 0.00 0.00 1.14 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.99 1.00 7.81 109 I 7.69 4.20 1.98 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.62 0.87 0.00 0.00 110 N 8.93 4.80 0.00 2.63 2.49 0.00 0.00 6.71 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.00 4.23 0.00 3.17 2.63 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 0.00 112 F 8.45 4.04 0.00 2.85 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 0.00 113 R 7.57 4.38 0.00 1.85 1.79 0.00 3.34 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.60 0.00 114 S 8.45 4.04 0.00 3.93 3.95 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 0.00 0.00 0.00 115 E 7.29 4.49 0.00 1.94 1.87 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 2.27 2.26 0.00 116 V 8.19 4.05 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 0.63 0.00 0.00 0.88 0.00 0.00 117 E 8.77 4.69 0.00 1.99 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 2.05 2.09 0.00 118 L 8.48 4.82 0.00 1.61 1.37 0.77 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 119 I 8.38 4.37 1.69 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.62 0.78 0.00 0.00 120 A 8.19 4.20 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 Q 8.92 4.61 0.00 2.16 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.63 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 122 S 7.99 5.02 0.00 3.95 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 0.00 123 F 8.63 5.56 0.00 3.28 3.16 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 0.00 124 E 9.00 4.27 0.00 1.87 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 0.00 2.12 2.19 0.00 125 E 8.60 4.60 0.00 2.08 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 0.00 2.30 2.55 0.00 126 L 8.86 4.58 0.00 1.48 1.67 0.84 0.83 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 0.00 127 R 8.67 4.35 0.00 1.75 1.93 0.00 3.19 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 128 D 7.86 4.65 0.00 2.56 2.95 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 0.00 0.00 0.00 129 P 0.00 4.23 0.00 2.11 2.15 0.00 3.72 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 130 N 8.93 4.50 0.00 2.76 2.61 0.00 0.00 6.83 8.09 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 0.00 131 D 7.94 3.99 0.00 2.56 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 0.00 132 E 7.60 3.47 0.00 1.67 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 0.00 2.24 2.26 0.00 133 W 7.18 3.63 0.00 3.59 3.13 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 0.00 134 K 6.63 3.74 0.00 1.38 1.54 0.00 1.10 0.00 0.00 1.27 0.00 0.00 2.64 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.34 0.21 7.81 135 A 7.49 3.96 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 0.00 136 W 8.09 4.59 0.00 3.87 3.45 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 0.00 137 Q 8.83 4.22 0.00 2.56 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 138 K 8.34 4.02 0.00 1.94 2.03 0.00 1.87 0.00 0.00 1.98 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.60 7.81 139 R 8.08 3.98 0.00 1.42 0.90 0.00 3.06 0.00 0.00 2.50 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 140 M 8.53 4.43 0.00 2.29 2.36 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.29 2.91 0.00 141 R 8.30 4.01 0.00 2.11 2.21 0.00 3.19 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 142 Y 8.39 4.10 0.00 3.28 3.26 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 0.00 143 K 8.62 4.07 0.00 2.39 2.07 0.00 2.32 0.00 0.00 1.96 0.00 0.00 3.14 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.59 1.71 7.81 144 K 8.29 4.03 0.00 2.07 1.88 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.74 7.81 145 N 8.22 4.30 0.00 2.77 2.76 0.00 0.00 7.06 6.17 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 0.00 146 L 7.84 4.01 0.00 1.39 1.70 0.89 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 147 T 7.91 3.72 4.36 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 1.16 0.00 0.00 148 K 7.98 3.98 0.00 1.96 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.75 7.81 149 I 7.82 3.74 2.20 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 1.39 0.91 1.03 0.00 0.00 150 S 8.50 4.12 0.00 3.40 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 0.00 151 K 7.87 4.06 0.00 1.93 1.84 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.70 7.81 152 N 8.02 4.54 0.00 2.88 2.90 0.00 0.00 6.92 8.05 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 0.00 153 H 8.27 4.61 0.00 3.15 3.38 0.00 5.91 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 H 8.01 4.39 0.00 3.30 3.11 0.00 5.93 0.00 0.00 0.00 0.00 6.91 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.