NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.1807 8.1731 122.4887 55.0478 44.2739 177.8595 4 G 3.7212 7.7762 106.7635 44.3249 0.0000 172.4081 5 A 4.5852 8.2370 120.8877 49.8337 22.8529 175.1262 6 L 4.0020 8.2120 123.1991 53.4763 42.4018 175.3647 7 P 3.2820 0.0000 0.0000 62.5135 31.9142 175.5005 8 T 4.5415 8.1531 109.3668 59.1338 71.8579 174.7240 9 A 3.9389 8.4681 124.0837 55.4110 18.3455 179.6466 10 E 4.0795 7.5173 113.9015 58.5755 29.7103 177.6841 11 D 4.7042 7.8724 118.1136 55.0707 41.4617 176.4758 12 I 4.9464 7.1155 110.5053 59.1191 40.5436 174.6980 13 D 5.0798 9.2708 119.8011 54.2041 43.5594 175.5740 14 A 5.3434 7.9413 119.3816 50.2827 23.1591 175.0054 15 V 4.8108 8.7055 120.3368 61.1261 34.0585 174.9327 16 V 4.4804 9.0775 128.3575 60.9610 34.2547 174.0130 17 L 4.7341 8.5648 127.6888 52.4943 44.3697 175.9462 18 D 4.9080 8.3164 123.6409 54.7016 41.8132 174.0808 19 F 4.5379 8.9106 122.0674 59.2428 40.7863 174.9383 20 D 4.1684 8.0962 120.1712 55.7078 41.6503 177.2649 21 G 4.0271 9.3519 113.2338 45.3597 0.0000 174.3394 22 T 4.1917 7.6181 113.8617 65.1672 70.3914 175.8005 23 Q 4.3625 7.9208 116.9315 56.0524 29.3342 175.1332 24 T 4.6785 7.0417 107.7276 59.6867 72.0064 173.3544 25 D 4.7461 8.3914 118.0127 52.7202 39.2990 176.7920 26 D 4.4825 8.0003 116.5627 55.2296 38.3161 173.8432 27 R 4.5642 7.9855 118.0104 54.8094 31.7719 175.8508 28 V 4.6030 7.9299 119.1387 61.1241 34.4737 174.4172 29 L 4.6038 9.2851 130.9246 54.3941 43.2991 175.2960 30 I 5.3561 8.4564 119.0277 59.3162 40.8632 174.3205 31 D 5.1224 8.5941 124.0166 51.5216 42.0762 177.0998 32 S 4.2259 8.7992 112.1470 60.9836 62.9590 174.7983 33 D 4.4695 8.3197 119.1769 54.7772 41.1043 177.1981 34 G 3.9350 8.2299 107.4595 44.9070 0.0000 173.5013 35 R 3.9992 8.4959 121.0372 56.1982 31.1234 175.1363 36 E 5.2506 8.3860 124.6626 54.7215 32.1775 175.3033 37 F 5.0307 9.4058 121.2087 55.9772 43.4455 174.2647 38 V 4.8566 8.4882 113.4926 59.9058 35.8828 174.8850 39 S 4.6828 8.6193 118.2227 57.2002 64.2338 174.3689 40 V 4.6227 8.1284 117.8001 59.6576 34.6892 174.4238 41 H 4.8239 8.2714 118.0998 54.2995 32.9055 174.3172 42 R 4.0828 8.4894 127.0768 58.9560 29.9790 179.3370 43 G 3.6316 7.9315 105.3513 47.8967 0.0000 175.0714 44 D 4.4614 8.4239 121.4597 57.0700 40.8155 179.0099 45 G 3.6928 8.1114 105.9270 47.8590 0.0000 175.3428 46 L 4.0505 8.1908 123.2378 57.6820 42.0217 179.3439 47 G 3.5329 8.2167 105.6507 47.8367 0.0000 175.6117 48 I 3.6571 8.2470 122.8203 64.0796 37.0675 178.3287 49 A 3.9770 8.2006 121.2802 55.1231 18.1778 179.5981 50 A 3.9190 8.1017 119.2308 55.2367 17.9959 179.8776 51 L 3.9307 8.1695 117.8130 57.9194 41.6812 179.7652 52 R 3.9162 8.3599 119.0734 59.3219 29.8204 178.4988 53 K 4.0150 8.1521 118.9264 59.2739 32.2908 178.3759 54 S 4.3494 7.9122 112.8152 59.4506 63.0845 174.9997 55 G 4.0133 7.8087 111.1073 44.8461 0.0000 173.6579 56 L 4.3804 7.2490 119.3398 54.9534 42.3240 177.3630 57 T 4.3021 8.6202 119.9063 63.1335 70.3492 173.5473 *59 L 4.3814 8.2291 124.4179 55.1321 43.6901 175.1822 60 I 4.8431 8.1967 125.6933 59.6008 39.9110 174.4158 61 L 5.1539 8.9655 128.1289 53.4456 45.1975 175.0444 62 S 5.0609 9.0520 119.9690 57.2452 66.0613 174.4276 63 T 4.6394 8.5956 113.0779 61.4390 69.4876 174.1918 64 E 4.4498 8.2146 123.7304 55.9170 28.7054 177.8915 65 Q 4.2425 8.6741 122.1826 56.0432 27.9159 175.7313 66 N 4.1485 8.7903 118.5155 53.1512 38.5136 173.6286 67 P 4.2513 0.0000 0.0000 64.7249 31.7942 177.8620 68 V 4.2482 8.1371 115.9542 62.4875 32.7591 177.6387 69 V 2.6399 7.2440 118.4458 64.6371 31.1414 178.2038 70 A 3.8066 7.5717 120.7446 54.6822 18.2836 179.2362 71 A 3.8902 7.7613 118.8648 55.2276 18.5310 179.7117 72 R 3.7662 7.9484 116.9287 59.5078 30.2041 178.4266 73 A 3.9456 8.1108 120.9870 55.2338 18.1628 179.6153 74 R 3.7867 8.0108 117.0495 59.3580 29.9529 178.5933 75 K 3.9104 7.7217 118.2660 59.5347 32.3529 178.2340 76 L 4.1732 7.9071 116.2865 54.5160 41.9055 176.9111 77 K 3.9233 7.7296 117.4791 57.4844 30.0687 175.0885 78 I 4.7770 7.4464 110.0115 58.3292 40.7337 173.6100 79 P 4.7194 0.0000 0.0000 62.6249 32.7376 175.5447 80 V 4.9325 8.1584 120.2030 59.9840 34.7431 174.7262 81 L 4.9221 8.9495 123.1026 53.3069 44.6865 175.3302 82 H 5.7782 7.8867 118.0860 52.9209 32.1894 172.7426 83 G 3.8665 8.5278 104.2222 47.8181 0.0000 174.2617 84 I 4.5678 7.1974 118.1676 59.3143 40.6574 176.9164 85 D 4.5275 8.7970 124.2816 54.7132 40.3682 176.8929 86 R 4.5728 7.5122 119.3235 53.1676 30.3683 175.5818 87 K 3.8958 8.3312 121.6738 59.4592 32.3434 177.9101 88 D 4.3263 8.0233 118.6350 56.6765 39.1836 178.6436 89 L 3.9823 7.9013 119.8258 57.0826 41.6060 179.0574 90 A 4.0207 8.0302 120.9135 55.0578 18.2888 179.4209 91 L 3.9970 8.3852 119.2000 58.1815 42.2366 178.9511 92 K 3.9438 8.3006 119.7385 59.6092 32.0505 178.2639 93 Q 4.1584 8.3326 119.8301 59.1052 28.8988 178.1581 94 W 4.1664 8.6307 129.5213 60.7106 30.7718 177.4929 95 C 3.8741 8.7909 117.0234 62.9555 27.2306 175.9945 96 E 3.9389 8.2376 119.8561 59.6370 28.8568 179.4329 97 E 3.9972 8.1610 117.4522 59.1090 29.5873 178.7551 98 Q 4.0082 7.8569 116.4681 55.3615 29.0072 176.2224 99 G 3.7881 7.3230 106.4399 46.5191 0.0000 173.2674 100 I 4.2685 7.3546 119.9561 58.7421 38.8745 175.7979 101 A 4.2347 8.4043 128.4060 51.1709 19.1977 176.5193 102 P 4.3812 0.0000 0.0000 65.6053 31.8117 178.6315 103 E 4.1012 8.3710 117.2299 58.9830 29.7136 178.0034 104 R 5.0823 8.4471 117.2479 55.8910 31.8265 175.5247 105 V 4.8785 7.9237 119.9718 61.1827 34.1620 173.9624 106 L 5.2145 8.9058 130.3853 54.0571 43.7806 174.2196 107 Y 5.1583 8.9457 127.7668 55.7631 41.8341 174.0517 108 V 4.8478 8.0101 126.7915 61.3141 34.2597 174.7883 109 G 4.8013 9.3684 114.4222 45.3015 0.0000 171.7806 110 N 5.2909 9.6244 112.9476 52.3244 40.1418 173.5701 111 D 5.0931 8.0638 118.0200 52.3340 45.0711 175.8888 112 V 3.4738 8.1340 113.7430 64.0546 31.4905 177.9818 113 N 4.5502 7.9558 114.8148 54.1276 37.5644 175.7983 114 D 4.5091 8.0741 119.5529 55.6946 41.1237 178.2674 115 L 3.7487 7.4415 120.4119 57.2249 41.3405 177.5490 116 P 4.2524 0.0000 0.0000 65.5701 31.5842 178.1568 117 C 4.1002 7.8004 115.1926 62.6745 28.1708 175.6703 118 F 4.3070 8.5226 119.5792 60.9044 38.3365 177.7001 119 A 4.1542 8.1120 118.7926 54.8340 18.1707 179.0639 120 L 4.2309 7.7754 116.4751 55.4742 42.2130 177.4792 121 V 4.6269 6.5891 110.0623 59.4444 33.6842 176.2085 122 G 3.7888 8.6410 109.2531 47.5958 0.0000 174.3449 123 W 5.0574 8.0357 119.8508 53.9543 29.1983 172.8704 124 P 4.6487 0.0000 0.0000 62.4703 32.6445 176.7161 125 V 4.9690 9.0252 123.6229 60.9933 34.6536 173.8207 126 A 5.4486 8.8088 129.3018 50.4470 21.5310 176.8680 127 V 4.3546 8.6113 113.7327 60.3093 32.5575 177.4922 128 A 4.0136 8.1700 124.9663 55.3688 18.2858 178.9879 129 S 4.5071 7.9571 107.3586 58.1660 63.4203 174.2542 130 A 4.3011 7.7197 124.1395 52.2460 18.9286 177.3156 131 H 4.0360 8.8241 119.9939 56.7921 30.5991 175.8422 132 D 4.3984 8.7124 125.4266 57.9273 40.6370 179.6513 133 V 3.6804 7.9125 117.8709 65.8277 31.4814 178.1050 134 V 3.6817 7.8221 117.8619 65.6001 31.2450 177.7225 135 R 4.1006 7.9416 117.9378 59.5174 30.0153 178.4703 136 G 3.7573 7.7818 103.8912 47.8358 0.0000 175.3839 137 A 4.2291 8.1991 121.8476 53.5778 18.6198 177.9439 138 A 3.9024 7.2340 119.3570 52.1728 19.0795 177.2847 139 R 4.2864 8.6652 120.1547 58.0250 31.0172 176.3873 140 A 4.8436 7.8387 118.7525 50.3085 23.1220 175.0246 141 V 5.1816 8.3107 119.0215 61.1597 34.3265 175.6331 142 T 4.5963 9.0451 118.4705 62.0761 69.5976 175.5149 143 T 4.1859 9.4548 113.2260 63.2013 69.6550 175.5822 144 V 4.2051 8.1535 116.3206 58.9904 33.2451 174.0582 145 P 4.5246 0.0000 0.0000 61.3725 32.6305 175.6727 146 G 3.9823 7.8534 107.3963 46.5322 0.0000 174.8978 147 G 3.9575 8.9477 111.9072 45.2233 0.0000 173.2497 148 D 4.6749 7.8551 117.2891 53.8581 41.7047 176.0990 149 G 3.8088 7.7932 105.7651 45.9741 0.0000 176.2214 150 A 3.8538 8.0656 123.7459 54.7859 18.3263 180.0550 151 I 3.5654 7.6455 117.9695 64.1963 37.1265 178.2602 152 R 3.7854 8.1585 119.7257 59.3653 29.6875 178.2585 153 E 3.7147 7.8903 118.9650 59.1832 29.7476 178.7750 154 I 2.3657 7.1362 119.5449 63.8574 37.0115 178.0887 155 A 3.9615 8.0883 122.1964 55.2998 18.1682 179.8801 156 S 4.4009 7.7775 112.5854 61.1032 62.8421 176.7958 157 W 4.3727 7.4808 122.1875 59.8956 28.8904 178.1593 158 I 3.9747 7.6302 117.9342 63.4305 36.8035 177.4769 159 L 4.6340 8.4238 116.5503 53.1036 42.9206 177.6090 160 G 4.1132 7.9038 104.5507 44.5355 0.0000 172.9560 161 P 4.2197 0.0000 0.0000 65.2472 31.2128 177.8983 162 S 4.4633 8.0786 111.8622 57.7261 63.2053 174.1937 163 L 3.7739 7.9048 119.5664 55.7111 39.5884 174.2820 164 D 4.5495 7.4834 120.2634 53.4977 39.3338 175.4803 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 3 L 8.17 4.18 0.00 1.57 1.74 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.78 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 0.00 0.00 0.00 5 A 8.24 4.59 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 6 L 8.21 4.00 0.00 1.25 0.84 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 3.28 0.00 1.58 0.51 0.00 3.34 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 8 T 8.15 4.54 4.28 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 1.13 0.00 0.00 9 A 8.47 3.94 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 10 E 7.52 4.08 0.00 1.87 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 0.00 2.34 2.32 0.00 11 D 7.87 4.70 0.00 2.36 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 12 I 7.12 4.95 1.88 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 0.61 0.71 0.00 0.00 13 D 9.27 5.08 0.00 2.59 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 14 A 7.94 5.34 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 0.00 0.00 15 V 8.71 4.81 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 0.74 0.00 0.00 0.94 0.00 0.00 16 V 9.08 4.48 2.25 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 0.91 0.00 0.00 0.69 0.00 0.00 17 L 8.56 4.73 0.00 1.50 1.43 0.88 0.57 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 18 D 8.32 4.91 0.00 2.66 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 19 F 8.91 4.54 0.00 3.04 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 20 D 8.10 4.17 0.00 2.72 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 21 G 9.35 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 7.62 4.19 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 1.17 0.00 0.00 23 Q 7.92 4.36 0.00 1.82 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 24 T 7.04 4.68 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 0.58 0.00 0.00 25 D 8.39 4.75 0.00 2.75 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 26 D 8.00 4.48 0.00 2.83 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 27 R 7.99 4.56 0.00 1.97 1.84 0.00 3.29 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 28 V 7.93 4.60 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 0.89 0.00 0.00 0.96 0.00 0.00 29 L 9.29 4.60 0.00 1.81 1.65 0.89 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.46 5.36 1.93 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 1.44 0.90 0.97 0.00 0.00 31 D 8.59 5.12 0.00 2.91 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 32 S 8.80 4.23 0.00 4.01 4.07 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 0.00 0.00 0.00 0.00 33 D 8.32 4.47 0.00 2.83 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 34 G 8.23 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 0.00 0.00 0.00 35 R 8.50 4.00 0.00 1.87 2.08 0.00 2.97 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.33 0.00 36 E 8.39 5.25 0.00 1.78 1.81 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 2.22 2.47 0.00 37 F 9.41 5.03 0.00 2.91 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.49 4.86 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 0.81 0.00 0.00 1.11 0.00 0.00 39 S 8.62 4.68 0.00 3.84 3.78 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 40 V 8.13 4.62 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 0.82 0.00 0.00 0.98 0.00 0.00 41 H 8.27 4.82 0.00 3.09 3.20 0.00 5.67 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.49 4.08 0.00 1.77 1.92 0.00 3.33 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 43 G 7.93 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.42 4.46 0.00 2.95 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 45 G 8.11 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 46 L 8.19 4.05 0.00 1.88 1.83 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.22 3.53 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 0.00 0.00 0.00 48 I 8.25 3.66 1.92 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 1.43 0.72 0.91 0.00 0.00 49 A 8.20 3.98 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 50 A 8.10 3.92 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 51 L 8.17 3.93 0.00 1.84 1.72 0.87 1.08 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 52 R 8.36 3.92 0.00 1.95 2.07 0.00 3.11 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 1.64 1.66 0.00 53 K 8.15 4.01 0.00 1.93 1.98 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.45 7.81 54 S 7.91 4.35 0.00 4.08 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 55 G 7.81 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 0.00 0.00 0.00 56 L 7.25 4.38 0.00 1.73 1.66 0.92 0.86 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 57 T 8.62 4.30 4.39 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 1.40 0.00 0.00 *59 L 8.23 4.38 0.00 1.03 0.74 0.69 -0.22 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 60 I 8.20 4.84 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.58 0.92 0.00 0.00 61 L 8.97 5.15 0.00 1.62 1.54 1.01 0.47 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 62 S 9.05 5.06 0.00 3.99 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 63 T 8.60 4.64 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 1.30 0.00 0.00 64 E 8.21 4.45 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.63 0.00 65 Q 8.67 4.24 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 66 N 8.79 4.15 0.00 2.72 2.63 0.00 0.00 7.24 7.30 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 67 P 0.00 4.25 0.00 1.98 2.03 0.00 3.66 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 68 V 8.14 4.25 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 1.14 0.00 0.00 0.87 0.00 0.00 69 V 7.24 2.64 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 0.43 0.00 0.00 0.14 0.00 0.00 70 A 7.57 3.81 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 71 A 7.76 3.89 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 72 R 7.95 3.77 0.00 1.95 1.87 0.00 3.20 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.74 0.00 73 A 8.11 3.95 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 74 R 8.01 3.79 0.00 2.08 2.04 0.00 3.09 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 75 K 7.72 3.91 0.00 1.79 2.02 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.53 7.81 76 L 7.91 4.17 0.00 1.79 1.70 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.73 3.92 0.00 1.87 1.90 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.53 7.81 78 I 7.45 4.78 1.88 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 1.22 0.64 0.96 0.00 0.00 79 P 0.00 4.72 0.00 2.17 2.08 0.00 3.60 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 2.29 2.17 0.00 80 V 8.16 4.93 1.98 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 0.69 0.00 0.00 0.85 0.00 0.00 81 L 8.95 4.92 0.00 1.51 1.56 0.92 1.09 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 82 H 7.89 5.78 0.00 3.18 3.15 0.00 5.47 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.53 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 0.00 0.00 0.00 84 I 7.20 4.57 1.88 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 1.46 1.08 0.95 0.00 0.00 85 D 8.80 4.53 0.00 2.76 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.51 4.57 0.00 1.82 1.97 0.00 3.30 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 87 K 8.33 3.90 0.00 1.79 1.87 0.00 1.74 0.00 0.00 1.90 0.00 0.00 3.24 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.61 1.55 7.81 88 D 8.02 4.33 0.00 2.84 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 89 L 7.90 3.98 0.00 1.84 1.77 0.93 0.77 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 90 A 8.03 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.39 4.00 0.00 1.83 1.88 1.09 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.30 3.94 0.00 2.06 1.94 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.49 7.81 93 Q 8.33 4.16 0.00 2.20 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 94 W 8.63 4.17 0.00 3.51 3.43 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 95 C 8.79 3.87 0.00 3.25 3.19 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 0.00 96 E 8.24 3.94 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 97 E 8.16 4.00 0.00 1.94 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 2.33 2.50 0.00 98 Q 7.86 4.01 0.00 1.25 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.61 0.00 0.00 0.00 0.00 0.00 1.26 1.16 0.00 99 G 7.32 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.35 4.27 1.69 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.67 0.98 0.00 0.00 101 A 8.40 4.23 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.38 0.00 2.26 2.24 0.00 3.64 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 103 E 8.37 4.10 0.00 2.12 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 2.41 2.40 0.00 104 R 8.45 5.08 0.00 1.87 2.00 0.00 3.34 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 105 V 7.92 4.88 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 1.22 0.00 0.00 1.23 0.00 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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 0.00 115 L 7.44 3.75 0.00 1.69 1.66 0.85 0.95 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 0.00 116 P 0.00 4.25 0.00 1.96 2.08 0.00 3.69 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 117 C 7.80 4.10 0.00 2.53 1.80 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 0.00 118 F 8.52 4.31 0.00 3.15 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 0.00 119 A 8.11 4.15 1.39 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 0.00 0.00 120 L 7.78 4.23 0.00 1.78 1.75 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 121 V 6.59 4.63 2.42 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 0.81 0.00 0.00 1.08 0.00 0.00 122 G 8.64 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 W 8.04 5.06 0.00 3.51 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 0.00 124 P 0.00 4.65 0.00 0.68 1.70 0.00 3.56 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.77 0.00 125 V 9.03 4.97 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 1.22 0.00 0.00 1.19 0.00 0.00 126 A 8.81 5.45 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.61 4.35 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 1.03 0.00 0.00 1.08 0.00 0.00 128 A 8.17 4.01 1.39 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 0.00 0.00 129 S 7.96 4.51 0.00 3.98 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 0.00 130 A 7.72 4.30 1.40 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 0.00 0.00 131 H 8.82 4.04 0.00 3.15 3.20 0.00 5.61 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 D 8.71 4.40 0.00 2.66 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 0.00 133 V 7.91 3.68 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 1.06 0.00 0.00 1.00 0.00 0.00 134 V 7.82 3.68 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 0.93 0.00 0.00 0.85 0.00 0.00 135 R 7.94 4.10 0.00 1.94 2.14 0.00 3.36 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 136 G 7.78 3.76 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 0.00 137 A 8.20 4.23 1.58 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 0.00 0.00 138 A 7.23 3.90 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 0.00 0.00 139 R 8.67 4.29 0.00 1.60 2.03 0.00 2.67 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.32 0.00 140 A 7.84 4.84 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 0.00 141 V 8.31 5.18 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 1.04 0.00 0.00 142 T 9.05 4.60 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 143 T 9.45 4.19 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 1.36 0.00 0.00 144 V 8.15 4.21 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 0.93 0.00 0.00 0.97 0.00 0.00 145 P 0.00 4.52 0.00 2.19 2.17 0.00 3.85 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 2.04 1.94 0.00 146 G 7.85 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 0.00 147 G 8.95 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 0.00 148 D 7.86 4.67 0.00 2.58 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 0.00 149 G 7.79 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 0.00 0.00 0.00 150 A 8.07 3.85 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 0.00 151 I 7.65 3.57 1.89 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.88 0.82 0.00 0.00 152 R 8.16 3.79 0.00 2.01 2.04 0.00 3.09 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 153 E 7.89 3.71 0.00 1.92 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.25 0.00 154 I 7.14 2.37 1.66 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.13 0.77 0.00 0.00 155 A 8.09 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 0.00 156 S 7.78 4.40 0.00 4.03 4.10 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 0.00 157 W 7.48 4.37 0.00 3.39 3.07 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 0.00 0.00 0.00 0.00 158 I 7.63 3.97 1.86 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 1.75 0.72 0.89 0.00 0.00 159 L 8.42 4.63 0.00 1.63 1.67 0.94 0.86 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 0.00 160 G 7.90 4.11 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 0.00 0.00 0.00 161 P 0.00 4.22 0.00 2.06 2.15 0.00 3.69 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 2.05 2.14 0.00 162 S 8.08 4.46 0.00 4.08 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 0.00 163 L 7.90 3.77 0.00 1.78 1.73 0.90 0.83 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 0.00 164 D 7.48 4.55 0.00 2.81 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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.