NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3508 8.3049 120.3111 54.9099 33.4403 175.0515 2 Y 4.4071 8.3550 118.7611 57.9814 38.7030 174.4518 3 K 4.5555 9.9919 122.3055 57.5508 35.9880 175.4544 4 H 5.1332 9.0097 120.4667 55.5672 32.8432 172.3035 5 I 4.6906 8.9568 128.2796 59.8291 39.2998 174.7324 6 L 5.0341 8.7592 128.4805 53.2343 44.8711 174.9090 7 V 4.6846 8.6380 126.4991 61.1573 33.6074 174.0712 8 A 4.8156 8.5903 130.6640 50.9508 19.7946 176.7981 9 V 4.3816 8.6822 116.2516 59.3906 35.5170 176.1469 10 D 4.8329 8.6458 122.2750 52.5097 39.6843 176.0193 11 L 3.5234 7.3190 117.7072 56.3606 39.5332 174.3453 12 S 4.6019 7.7217 116.0238 57.2545 64.4267 174.5893 13 E 4.0837 8.5064 115.9027 58.4989 29.8699 174.4693 14 E 4.1239 8.0266 117.6698 59.2958 29.4087 179.0327 15 S 4.0532 7.6732 115.4826 61.1322 62.9326 174.6839 16 P 4.2149 0.0000 0.0000 65.7149 31.0820 178.7425 17 I 3.7189 7.6373 118.0885 64.1946 37.0980 178.0728 18 L 3.9218 7.8533 121.1990 57.9939 41.8684 178.7937 19 L 3.9251 8.1383 120.5177 58.1267 42.0417 179.1686 20 K 3.9629 8.1547 118.5029 59.1470 31.9765 179.3046 21 K 3.8972 8.1181 119.9033 59.4265 32.0705 178.7989 22 A 3.9415 8.0996 121.1236 54.8988 18.1947 179.7087 23 V 3.2915 7.9444 117.1204 66.0358 31.4536 178.4379 24 G 3.6237 7.9170 105.3336 47.8778 0.0000 175.7593 25 I 3.7601 7.5085 121.4202 64.0862 37.1161 178.3340 26 A 3.9837 8.1557 122.0309 55.1354 17.9914 179.8401 27 K 3.9976 8.1517 117.3519 59.6890 31.8553 179.8262 28 R 3.9521 7.7269 117.4196 58.8615 30.1558 177.7914 29 H 4.5570 8.3362 113.2716 54.7321 29.8913 174.5213 30 D 4.4507 7.5685 119.3938 55.4449 38.7823 172.8722 31 A 4.8994 8.0123 118.7110 50.1742 21.8431 178.4398 32 K 4.4062 8.7848 118.6815 56.3249 33.8155 176.2145 33 L 5.2652 8.5485 123.4975 53.6662 45.3274 175.3493 34 S 5.2224 9.4037 121.3000 56.8314 67.7384 172.8580 35 I 4.9527 8.4823 121.2687 59.5659 41.0237 174.4623 36 I 4.8593 8.5644 126.2014 59.3279 41.0066 173.5574 37 H 4.8928 9.4796 130.5853 55.9124 31.0183 174.0255 38 V 4.5475 8.5033 120.1343 59.5786 33.2292 174.9154 39 D 4.5320 8.6162 126.9640 53.5235 41.3328 176.5565 40 V 3.9678 8.5022 118.5515 61.5753 32.2344 175.9385 41 N 4.7962 8.1982 118.2654 52.2489 39.5482 175.4498 42 F 3.9754 9.2771 121.3243 58.7451 39.5347 175.6758 43 S 4.4510 7.7304 112.7273 59.3681 66.5219 175.6720 *45 L 4.0060 8.3571 122.4916 55.2631 42.0674 172.1864 *46 Y 4.3122 8.2704 114.7107 57.9056 36.1847 171.4385 47 T 5.1822 7.7389 114.4632 57.6432 72.0742 172.2714 48 G 3.6892 8.4343 106.7725 44.0338 0.0000 171.7987 49 L 4.9676 8.1276 120.8227 54.1099 42.9826 176.0475 50 I 4.7130 8.9114 119.2520 59.1637 41.7496 173.9506 51 D 5.0052 8.5355 123.7634 52.7927 41.5917 177.1759 52 V 3.7387 8.4612 127.2243 65.2830 31.6726 176.6095 53 N 4.5848 8.9973 118.3002 55.7300 38.6859 176.5764 54 M 4.7337 7.5867 118.4905 53.1236 33.3298 181.1611 55 S 5.7435 8.2611 129.3075 59.1218 61.4168 177.8217 *65 T 4.2919 7.2772 111.9350 61.2690 70.6109 176.2439 66 Q 4.0324 7.9112 124.9130 60.4873 27.9491 182.7929 67 K 4.1035 8.0555 119.7957 59.3178 32.2594 178.1702 68 A 3.9629 7.9656 120.2036 55.3654 18.3007 179.2243 69 L 3.8403 7.7500 118.0835 58.4040 41.9833 179.3086 70 L 4.0757 7.6959 119.6349 58.2333 41.8128 179.5422 71 D 4.5065 8.4837 121.5947 58.3394 39.7810 180.3823 72 L 4.0944 8.2141 122.4297 58.1870 41.9261 179.1225 73 A 4.1217 8.2768 122.7256 55.4340 18.0798 179.3118 74 E 4.1654 7.9064 114.9045 59.2534 30.1588 181.8284 75 S 4.5645 7.8099 112.3305 59.9633 63.7144 174.3802 76 V 4.5787 6.6774 114.6957 59.7734 34.9913 175.3728 77 D 4.5420 8.6631 121.7114 56.2388 41.3894 176.8896 78 Y 4.0294 8.0369 119.9036 56.6826 39.2303 173.9594 79 P 4.2872 0.0000 0.0000 62.9154 32.0020 175.3193 80 I 4.2231 8.0620 122.1886 60.3252 38.0475 175.0981 81 S 4.3362 9.6831 126.4959 59.1382 62.3989 173.6986 82 E 4.5462 8.7916 119.2109 54.8497 32.6154 175.2823 83 K 4.8677 8.3862 121.1777 54.9094 35.3792 175.0806 84 L 5.1978 8.9045 124.8938 52.8801 45.9637 175.5652 85 S 5.0719 8.9204 113.5574 57.1681 66.2922 172.8461 86 G 5.0819 9.0341 111.3727 45.5930 0.0000 171.6031 87 S 4.8127 8.5360 115.0638 57.2488 66.9927 176.9555 88 G 3.7670 8.9366 111.8729 45.6803 0.0000 177.4182 89 D 4.7885 8.6715 130.3735 52.4342 40.4165 174.5942 90 L 4.0644 8.1268 127.2917 56.9607 41.8200 179.1762 91 G 3.5626 7.8807 107.0600 47.1293 0.0000 175.5050 92 Q 3.9199 8.6074 122.2918 58.7924 29.0273 178.1680 93 V 3.5743 7.8830 119.4059 66.1241 31.4535 178.0786 94 L 3.9645 8.1982 118.8672 57.7739 41.5179 179.3448 95 S 4.0702 8.1744 113.1135 61.5081 62.3066 175.9240 96 D 4.3357 8.6516 121.6165 57.3538 40.5741 178.6671 97 A 4.2163 8.3228 121.4555 55.2728 18.5060 179.6853 98 I 3.6745 8.0141 118.4812 64.4717 37.2371 178.3670 99 E 3.8859 8.2485 119.9925 59.4068 29.3395 178.5779 100 Q 3.8192 8.2474 119.0286 58.7802 29.1268 176.4117 101 Y 4.5638 7.9994 112.4884 56.8528 38.4842 175.4179 102 D 4.3863 7.4746 117.0466 55.3064 38.9488 174.3169 103 V 4.0166 7.6495 117.1559 62.7234 32.5648 174.8727 104 D 5.0442 8.9548 124.0071 52.8141 40.8494 175.3342 105 L 4.5026 7.5406 122.0344 53.7790 45.5020 173.8165 106 L 4.9500 8.6365 128.8153 53.3958 44.3694 174.9223 107 V 4.9548 8.7967 126.5381 61.3406 34.0307 174.4014 108 T 4.8040 9.1014 117.2362 60.2390 72.8087 173.6329 109 G 4.1392 8.2377 110.7006 42.8670 0.0000 172.9585 110 H 4.8225 8.3701 115.9224 55.4351 29.6883 174.4216 111 H 4.2325 8.5784 120.2725 56.9286 29.9992 175.3633 112 Q 4.2348 9.0384 126.3340 59.3686 28.5972 178.5536 113 D 4.5706 7.8277 119.3585 56.9420 40.7584 178.5142 114 F 4.1232 8.0649 121.1067 61.2308 39.5213 177.3767 115 W 3.6172 8.2167 118.0377 59.5467 28.8623 178.6436 116 S 4.1687 8.6932 115.8017 61.4473 62.2925 176.5947 117 K 4.0011 7.9650 123.6680 58.8486 31.6546 178.8371 118 L 3.7323 7.4260 118.6010 57.8797 41.4701 179.0635 119 M 4.2305 7.6342 117.9791 58.0359 31.9903 178.4887 120 S 4.4491 8.7082 114.6270 60.0680 63.3636 175.6663 121 S 4.7506 7.9428 116.3721 58.2212 63.5669 173.1894 122 T 4.7683 7.6134 119.0428 62.6495 68.7547 175.8816 123 R 3.9557 9.1209 127.3038 58.9155 30.6292 177.3425 124 Q 4.0936 7.9000 120.2046 55.3977 29.3610 176.2860 125 V 3.5884 8.6288 126.0008 66.0923 31.6170 176.3489 126 M 4.4809 7.7674 116.1822 54.8906 32.0329 175.5836 127 N 4.3848 7.6199 117.6424 54.6580 39.4945 173.5188 128 T 4.3145 7.8639 115.0530 61.6449 70.1291 172.6787 129 I 4.2841 8.1226 125.3095 59.8069 37.3864 175.8776 130 K 4.3860 8.6064 124.5438 56.5482 32.0964 176.3921 131 I 4.8558 7.1726 111.6172 58.6070 41.2431 174.6267 132 D 4.6313 8.8082 121.8157 55.3815 42.0145 175.5504 133 M 5.1377 8.4383 120.2850 53.9314 35.3288 173.6739 134 L 4.6194 9.0742 129.0239 53.5448 44.1906 174.8966 135 V 4.7937 8.5059 126.4440 61.3534 33.3288 174.5500 136 V 4.4716 8.7754 129.0935 60.2392 33.6229 174.0159 137 P 3.8973 0.0000 0.0000 62.9237 31.3053 176.0172 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.35 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 2 Y 8.36 4.41 0.00 2.95 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 3 K 9.99 4.56 0.00 1.83 1.90 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.42 7.81 4 H 9.01 5.13 0.00 3.21 3.29 0.00 5.59 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.96 4.69 1.82 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 0.84 0.48 0.78 0.00 0.00 6 L 8.76 5.03 0.00 1.58 1.39 0.85 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.64 4.68 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 0.89 0.00 0.00 0.87 0.00 0.00 8 A 8.59 4.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.68 4.38 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 0.66 0.00 0.00 0.94 0.00 0.00 10 D 8.65 4.83 0.00 2.79 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 11 L 7.32 3.52 0.00 1.80 1.77 0.71 0.70 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 7.72 4.60 0.00 3.73 3.81 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 13 E 8.51 4.08 0.00 2.03 1.85 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 2.23 1.86 0.00 14 E 8.03 4.12 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 2.28 2.34 0.00 15 S 7.67 4.05 0.00 3.99 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.21 0.00 2.13 2.08 0.00 3.81 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 17 I 7.64 3.72 1.98 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 1.51 0.53 0.89 0.00 0.00 18 L 7.85 3.92 0.00 1.91 1.73 0.91 0.46 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 19 L 8.14 3.93 0.00 1.91 1.71 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.15 3.96 0.00 1.83 1.82 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.57 7.81 21 K 8.12 3.90 0.00 1.81 1.92 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.44 7.81 22 A 8.10 3.94 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 23 V 7.94 3.29 2.19 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 0.89 0.00 0.00 0.96 0.00 0.00 24 G 7.92 3.62 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 0.00 0.00 0.00 25 I 7.51 3.76 1.95 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 1.47 1.03 0.91 0.00 0.00 26 A 8.16 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.15 4.00 0.00 1.86 1.89 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.62 1.29 7.81 28 R 7.73 3.95 0.00 1.93 1.96 0.00 3.15 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 29 H 8.34 4.56 0.00 3.31 3.64 0.00 5.81 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 30 D 7.57 4.45 0.00 2.98 2.78 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 0.00 0.00 0.00 0.00 31 A 8.01 4.90 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 32 K 8.78 4.41 0.00 1.74 1.64 0.00 1.58 0.00 0.00 1.49 0.00 0.00 2.46 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.39 7.81 33 L 8.55 5.27 0.00 1.81 1.69 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 34 S 9.40 5.22 0.00 3.70 3.70 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 35 I 8.48 4.95 1.83 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 1.08 0.82 0.87 0.00 0.00 36 I 8.56 4.86 1.81 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 1.07 1.74 0.91 0.00 0.00 37 H 9.48 4.89 0.00 3.18 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.50 4.55 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 0.68 0.00 0.00 0.78 0.00 0.00 39 D 8.62 4.53 0.00 2.59 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 40 V 8.50 3.97 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 0.91 0.00 0.00 0.98 0.00 0.00 41 N 8.20 4.80 0.00 2.86 2.79 0.00 0.00 6.95 6.99 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 42 F 9.28 3.98 0.00 3.05 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 S 7.73 4.45 0.00 4.03 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 *45 L 8.36 4.01 0.00 1.71 1.58 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 *46 Y 8.27 4.31 0.00 2.33 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 0.00 0.00 0.00 47 T 7.74 5.18 4.37 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 1.20 0.00 0.00 48 G 8.43 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 0.00 0.00 0.00 49 L 8.13 4.97 0.00 1.67 1.60 1.01 1.00 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 50 I 8.91 4.71 1.89 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 1.32 0.78 0.92 0.00 0.00 51 D 8.54 5.01 0.00 2.85 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 52 V 8.46 3.74 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 53 N 9.00 4.58 0.00 2.93 2.85 0.00 0.00 6.62 7.53 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 54 M 7.59 4.73 0.00 2.00 1.81 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 55 S 8.26 5.74 0.00 3.73 3.87 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 *65 T 7.28 4.29 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 1.19 0.00 0.00 66 Q 7.91 4.03 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 67 K 8.06 4.10 0.00 1.76 1.76 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.44 7.81 68 A 7.97 3.96 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 69 L 7.75 3.84 0.00 1.73 1.78 0.89 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.70 4.08 0.00 1.81 1.70 0.91 0.80 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 71 D 8.48 4.51 0.00 2.65 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 72 L 8.21 4.09 0.00 1.85 1.90 0.90 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 73 A 8.28 4.12 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 74 E 7.91 4.17 0.00 2.10 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 2.25 2.18 0.00 75 S 7.81 4.56 0.00 4.03 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 76 V 6.68 4.58 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 0.74 0.00 0.00 1.00 0.00 0.00 77 D 8.66 4.54 0.00 2.71 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 8.04 4.03 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 79 P 0.00 4.29 0.00 2.08 1.87 0.00 2.31 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 80 I 8.06 4.22 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.90 0.93 0.00 0.00 81 S 9.68 4.34 0.00 3.70 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.79 4.55 0.00 1.55 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 2.09 1.63 0.00 83 K 8.39 4.87 0.00 1.61 1.66 0.00 1.58 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.39 7.81 84 L 8.90 5.20 0.00 1.47 1.63 0.70 0.27 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 85 S 8.92 5.07 0.00 3.89 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 86 G 9.03 5.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.54 4.81 0.00 3.80 3.87 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 88 G 8.94 3.77 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 0.00 0.00 0.00 89 D 8.67 4.79 0.00 2.69 2.55 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 90 L 8.13 4.06 0.00 1.52 1.58 0.83 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 91 G 7.88 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 0.00 0.00 92 Q 8.61 3.92 0.00 2.40 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 93 V 7.88 3.57 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 1.06 0.00 0.00 0.95 0.00 0.00 94 L 8.20 3.96 0.00 1.74 1.69 0.96 0.84 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 95 S 8.17 4.07 0.00 3.97 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.65 4.34 0.00 2.88 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 97 A 8.32 4.22 1.45 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 98 I 8.01 3.67 2.10 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 1.41 1.22 0.93 0.00 0.00 99 E 8.25 3.89 0.00 2.09 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 2.28 2.32 0.00 100 Q 8.25 3.82 0.00 1.83 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.93 0.00 0.00 0.00 0.00 0.00 1.16 1.89 0.00 101 Y 8.00 4.56 0.00 3.12 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 0.00 102 D 7.47 4.39 0.00 2.92 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.65 4.02 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 0.74 0.00 0.00 0.82 0.00 0.00 104 D 8.95 5.04 0.00 2.81 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 0.00 105 L 7.54 4.50 0.00 0.28 0.90 0.65 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.64 4.95 0.00 1.79 1.48 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.80 4.95 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 0.99 0.00 0.00 0.82 0.00 0.00 108 T 9.10 4.80 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 1.25 0.00 0.00 109 G 8.24 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 0.00 110 H 8.37 4.82 0.00 3.08 3.40 0.00 5.89 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 0.00 111 H 8.58 4.23 0.00 3.23 3.39 0.00 5.70 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 9.04 4.23 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.67 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 113 D 7.83 4.57 0.00 2.58 2.73 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 0.00 0.00 0.00 114 F 8.06 4.12 0.00 3.01 3.24 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 0.00 115 W 8.22 3.62 0.00 3.47 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 0.00 116 S 8.69 4.17 0.00 3.99 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 0.00 117 K 7.97 4.00 0.00 1.89 1.68 0.00 1.04 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.17 1.10 7.81 118 L 7.43 3.73 0.00 1.43 1.41 -0.51 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 119 M 7.63 4.23 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.58 0.00 120 S 8.71 4.45 0.00 4.14 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 0.00 121 S 7.94 4.75 0.00 3.86 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 0.00 122 T 7.61 4.77 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 0.00 123 R 9.12 3.96 0.00 1.85 1.98 0.00 3.16 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 124 Q 7.90 4.09 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.87 0.00 0.00 0.00 0.00 0.00 2.55 2.34 0.00 125 V 8.63 3.59 2.08 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 0.86 0.00 0.00 0.93 0.00 0.00 126 M 7.77 4.48 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 127 N 7.62 4.38 0.00 2.81 2.72 0.00 0.00 6.80 6.98 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 0.00 128 T 7.86 4.31 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 1.22 0.00 0.00 129 I 8.12 4.28 1.91 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 1.44 1.05 0.98 0.00 0.00 130 K 8.61 4.39 0.00 1.76 1.85 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.43 7.81 131 I 7.17 4.86 2.08 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 1.36 0.67 1.02 0.00 0.00 132 D 8.81 4.63 0.00 2.72 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 0.00 133 M 8.44 5.14 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.66 0.00 134 L 9.07 4.62 0.00 1.75 1.48 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.51 4.79 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 0.85 0.00 0.00 1.14 0.00 0.00 136 V 8.78 4.47 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 0.92 0.00 0.00 0.98 0.00 0.00 137 P 0.00 3.90 0.00 2.12 1.92 0.00 3.84 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 * Residues marked with a * may have inaccurate shift predictions.