NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 3.9368 0.0000 0.0000 61.9004 33.1576 174.7663 2 L 5.1617 8.0023 121.1692 50.1974 44.9408 173.8129 3 R 4.6094 9.2127 121.0939 55.8708 32.9408 177.1270 *5 G 3.8788 8.9148 105.1046 45.5071 0.0000 172.4025 6 G 3.7526 8.8534 109.1922 48.4027 0.0000 174.2553 7 N 4.5927 8.1510 114.7670 52.6437 37.3790 175.9389 8 G 3.9142 8.3868 106.9396 45.6769 0.0000 173.3455 9 Q 4.4941 8.0703 121.2309 54.7813 29.9311 175.6200 10 L 4.5233 8.6979 126.1057 54.9339 42.9529 176.0310 11 Q 4.7145 9.3514 123.6097 54.5672 31.9598 173.3072 12 Y 5.2750 8.9024 127.5656 56.0098 40.5574 174.4575 13 W 5.1381 7.4722 122.1446 54.0321 31.3979 173.0593 14 P 4.1254 0.0000 0.0000 61.9049 31.7972 176.1656 15 F 4.2157 8.1354 118.5296 57.6615 39.4771 175.9458 16 S 4.3233 8.7269 119.0904 58.1112 63.9355 175.4969 17 S 3.9265 8.6993 123.6924 61.5704 62.7279 176.8064 18 S 4.1082 7.8149 118.9184 61.5215 62.4760 176.4592 19 D 3.5707 7.5823 120.8563 56.9500 40.5619 178.5304 20 L 3.5364 6.7379 119.1810 57.9935 41.5614 179.3642 21 Y 4.2950 7.7379 116.8121 60.8831 37.7517 177.9762 22 N 4.3576 8.1509 117.6578 56.0795 38.3985 177.3697 23 W 4.4755 7.8254 119.6568 59.7093 29.0001 178.2009 24 K 4.1817 8.2308 119.5069 59.6930 31.5519 178.4444 25 N 4.6054 8.6460 114.8754 54.9203 38.6025 176.0740 26 N 4.9174 7.8846 116.6109 52.0809 39.2982 174.0899 27 N 5.1091 7.2797 116.7680 50.4785 42.6943 172.5350 28 P 4.5215 0.0000 0.0000 62.1446 32.4167 176.7135 29 S 4.4241 8.5082 114.0542 58.0597 64.6757 175.1145 30 F 4.1878 8.7598 124.1933 61.7840 38.9608 177.5371 31 S 4.1264 8.1814 113.5547 61.3282 62.6087 176.3173 32 E 4.2837 7.8645 120.7310 58.0268 30.3378 178.0236 33 D 4.5261 8.1074 122.8802 50.9282 42.4030 173.4335 34 P 4.0125 0.0000 0.0000 64.2190 31.3772 177.9281 35 G 3.7365 8.0386 104.0622 47.8819 0.0000 175.5090 36 K 4.0008 7.8823 120.2255 59.4949 32.1969 179.5257 37 L 4.0599 7.8876 118.6063 57.9132 41.5581 179.6230 38 T 3.8647 8.1675 115.6639 66.6956 68.4672 176.4547 39 A 3.9415 8.1586 122.6537 54.8605 18.2882 179.4296 40 L 3.7042 7.9222 118.7856 58.4258 42.2200 179.3605 41 I 3.4419 8.0740 120.0784 64.0851 37.1368 177.8169 42 E 3.8741 8.3408 120.5376 59.4520 29.3276 179.0274 43 S 4.1035 7.9721 112.8396 61.4223 62.4274 176.2254 44 V 3.4784 7.6891 121.0838 65.9589 30.9170 177.7896 45 L 3.9958 8.1402 118.2155 57.8788 41.3909 179.3754 46 T 4.2101 7.4200 114.4722 66.5174 68.6063 177.3769 47 T 3.8464 7.9931 110.3441 64.4664 69.2578 175.3910 48 H 4.5155 8.7408 117.0991 54.7325 30.3363 174.5844 49 Q 3.6815 7.4437 119.2291 56.2443 26.4200 172.5613 50 P 4.3797 0.0000 0.0000 62.6286 32.7462 177.7773 51 T 4.4304 8.7446 111.9446 60.5068 71.5367 175.5131 52 W 3.8847 8.7333 129.2050 60.8756 30.6370 177.3107 53 D 4.3671 8.3895 118.1984 57.4980 40.3030 178.3532 54 D 4.4959 8.1648 119.3248 57.7626 40.7772 178.6776 55 C 4.2309 8.4275 117.3595 62.9449 28.0804 176.2749 56 Q 3.7530 7.5902 119.5022 58.8182 28.1765 178.6879 57 Q 4.1009 7.9408 118.8691 58.5984 28.7310 178.6680 58 L 3.8163 8.0824 120.1001 57.7743 41.7521 179.5777 59 L 4.0032 8.0867 119.0913 57.8359 41.3956 179.9662 60 G 3.6269 8.2633 104.4777 47.5615 0.0000 175.2699 61 T 4.2376 7.6144 116.9449 65.5418 68.9900 176.4596 62 L 4.3924 7.8529 119.0145 54.4810 42.3949 176.6097 63 L 4.9379 7.0847 117.8096 52.5370 44.6541 176.7671 64 T 4.3985 8.7969 112.3957 60.8795 71.0414 176.0140 65 G 3.7205 8.5851 107.5700 48.2137 0.0000 175.6457 66 E 3.9990 8.1214 120.4856 59.0676 29.4832 179.1603 67 E 3.9872 8.0643 118.1174 59.1915 29.5198 179.1676 68 K 3.7666 8.3175 119.9634 59.7722 32.2096 178.5272 69 Q 4.0213 8.1859 118.2489 59.2262 28.6677 179.2730 70 R 3.8693 8.0209 119.5020 59.2862 30.0282 178.7836 71 V 3.5055 7.9312 118.3598 66.0057 31.5644 178.0687 72 L 3.9950 8.3042 119.1659 57.6362 41.4364 179.4782 73 L 3.9841 8.1330 119.1498 57.9499 41.3754 179.4981 74 E 3.9071 7.9990 116.9370 59.1498 29.7561 178.8376 75 A 3.7634 7.9535 121.1719 55.2201 17.7161 180.0089 76 R 3.8745 7.6782 116.3216 59.0931 29.8895 179.3429 77 K 4.2159 7.8514 117.1706 58.3873 32.0718 178.0837 78 A 4.3977 7.2420 118.9434 50.9106 19.6703 177.4239 79 V 3.7260 7.0842 118.4386 62.9891 32.2845 175.1836 80 R 5.0529 8.3376 124.6363 54.2924 33.1800 176.7582 81 G 4.0297 8.9449 110.3601 44.8510 0.0000 173.8616 82 N 4.3803 8.7237 115.8165 56.1477 38.4176 175.7680 83 D 4.4667 8.1271 115.8011 53.3511 39.9177 177.7044 84 G 3.9430 8.0322 108.2484 45.9083 0.0000 173.7674 85 R 4.5908 7.2543 118.5137 53.3664 32.1492 174.2044 86 P 4.7599 0.0000 0.0000 63.4420 31.9015 176.0039 87 T 4.7304 8.4347 114.7221 60.9762 70.4539 173.4083 88 Q 4.6465 8.4616 123.9972 55.0177 30.3009 175.9851 89 L 4.1274 7.8799 119.6093 54.0041 42.6474 175.7095 90 P 4.2860 0.0000 0.0000 65.9851 31.4807 178.4391 91 N 4.4306 8.1661 114.9885 56.0449 37.3396 176.9372 92 E 4.0795 8.1254 120.4334 58.9404 29.6385 179.1850 93 V 3.6925 8.1112 118.5427 66.2770 31.4620 177.9596 94 D 4.4443 8.4491 117.4943 57.1997 40.6560 178.3204 95 A 4.2659 7.8887 120.2063 54.8239 18.4975 179.1632 96 A 4.4906 8.0171 118.2562 53.8953 20.2032 177.8449 97 F 5.0916 8.5024 117.9142 55.7171 39.3393 172.1986 98 P 4.5638 0.0000 0.0000 62.6319 32.1797 177.5228 99 L 4.5543 8.5576 119.9998 55.7952 42.3673 176.4913 100 E 4.7009 7.6151 116.8096 53.6121 32.0848 175.5332 101 R 2.0000 7.7594 121.1527 55.2902 30.1894 174.8075 102 P 3.9524 0.0000 0.0000 61.6060 33.0163 176.1561 103 D 4.3939 7.6219 119.2850 51.5007 37.8919 175.9628 104 W 4.7416 7.3092 120.0952 55.8277 30.4808 176.1805 105 D 4.4583 8.5867 124.8065 52.9940 40.3591 176.1639 106 Y 4.4536 8.0060 124.8660 58.5515 38.1510 176.3208 107 T 4.4360 8.0972 110.8406 62.0825 69.5783 175.0158 108 T 4.6877 7.6972 113.5056 59.6642 72.5881 174.6019 109 Q 3.9301 8.5198 123.2445 59.6140 29.1604 179.0259 110 R 3.9425 8.0084 118.6083 59.1331 30.1378 179.1777 111 G 3.5495 8.1651 105.4038 47.8554 0.0000 175.8699 112 R 3.9779 8.1151 121.0291 59.1528 30.0778 178.9970 113 N 4.2524 8.3340 116.3226 56.4896 38.4461 177.2059 114 H 3.6174 7.8957 117.6212 58.4783 28.4731 177.8529 115 L 3.9990 7.5761 120.7119 57.7633 41.5032 179.6879 116 V 3.5986 7.9356 118.3871 65.8859 31.3675 177.7987 117 L 4.1998 7.9586 121.4274 57.7019 41.8630 178.0903 118 Y 4.2608 8.4102 119.8924 61.0961 38.7828 178.4526 119 R 3.9956 8.4174 118.8222 59.4207 30.2533 179.1013 120 Q 4.0164 8.2898 117.7710 59.0747 28.7237 178.9532 121 L 4.0682 8.3816 120.3616 57.4164 41.3773 179.2635 122 L 3.8764 8.0577 120.1274 58.0573 42.1075 178.5107 123 L 4.0402 7.7453 118.9016 58.0177 42.2582 178.4533 124 A 4.4229 8.1400 120.9377 54.9299 18.2067 180.3412 125 G 3.5223 8.1181 101.1319 45.7736 0.0000 175.2814 *127 Q 4.3326 7.9888 121.0087 55.8036 30.6638 177.5957 128 N 4.3395 8.4977 113.9198 56.1320 38.7770 176.6043 129 A 4.1936 8.5110 121.1519 55.0393 18.8059 178.9496 130 G 3.5888 8.4216 103.9209 48.6922 0.0000 173.5604 131 R 4.0466 7.7462 122.7970 56.1163 29.9539 176.4395 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 P 0.00 3.94 0.00 0.49 0.94 0.00 2.35 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.93 0.00 2 L 8.00 5.16 0.00 1.44 1.38 0.66 -0.18 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 3 R 9.21 4.61 0.00 1.92 1.58 0.00 2.31 0.00 0.00 2.84 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 *5 G 8.91 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 0.00 0.00 0.00 6 G 8.85 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 0.00 0.00 0.00 7 N 8.15 4.59 0.00 2.86 2.93 0.00 0.00 6.11 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.39 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 9 Q 8.07 4.49 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 10 L 8.70 4.52 0.00 1.78 1.51 1.04 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 9.35 4.71 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 12 Y 8.90 5.28 0.00 2.97 2.98 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 13 W 7.47 5.14 0.00 3.09 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 14 P 0.00 4.13 0.00 2.21 2.17 0.00 3.60 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 2.06 2.25 0.00 15 F 8.14 4.22 0.00 3.00 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 16 S 8.73 4.32 0.00 3.95 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 17 S 8.70 3.93 0.00 4.18 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 18 S 7.81 4.11 0.00 3.78 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 19 D 7.58 3.57 0.00 2.22 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 20 L 6.74 3.54 0.00 1.10 1.21 0.67 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.74 4.30 0.00 2.96 2.88 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 22 N 8.15 4.36 0.00 2.63 2.81 0.00 0.00 6.96 7.22 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 23 W 7.83 4.48 0.00 3.40 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 24 K 8.23 4.18 0.00 1.92 2.09 0.00 1.92 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.55 7.81 25 N 8.65 4.61 0.00 2.79 2.88 0.00 0.00 7.03 7.95 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 26 N 7.88 4.92 0.00 2.91 2.89 0.00 0.00 6.72 8.16 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 27 N 7.28 5.11 0.00 2.83 2.69 0.00 0.00 6.91 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.52 0.00 2.16 2.07 0.00 3.53 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 1.99 2.07 0.00 29 S 8.51 4.42 0.00 4.18 4.08 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 30 F 8.76 4.19 0.00 3.10 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 31 S 8.18 4.13 0.00 3.96 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 32 E 7.86 4.28 0.00 2.20 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 0.00 2.34 2.32 0.00 33 D 8.11 4.53 0.00 2.59 2.45 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 34 P 0.00 4.01 0.00 1.91 1.01 0.00 3.77 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.53 0.00 35 G 8.04 3.74 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 0.00 0.00 0.00 36 K 7.88 4.00 0.00 1.86 2.03 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.62 7.81 37 L 7.89 4.06 0.00 1.88 1.78 1.03 0.74 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 38 T 8.17 3.86 4.48 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 1.25 0.00 0.00 39 A 8.16 3.94 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 40 L 7.92 3.70 0.00 1.63 1.69 0.80 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.07 3.44 1.85 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 1.24 0.31 0.83 0.00 0.00 42 E 8.34 3.87 0.00 2.05 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 0.00 2.28 2.31 0.00 43 S 7.97 4.10 0.00 3.95 3.86 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 44 V 7.69 3.48 1.67 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 0.91 0.00 0.00 -0.18 0.00 0.00 45 L 8.14 4.00 0.00 1.76 1.76 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.42 4.21 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 1.22 0.00 0.00 47 T 7.99 3.85 4.30 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 1.25 0.00 0.00 48 H 8.74 4.52 0.00 3.46 3.26 0.00 5.93 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.44 3.68 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 50 P 0.00 4.38 0.00 2.25 2.09 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 2.07 2.05 0.00 51 T 8.74 4.43 4.35 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 1.28 0.00 0.00 52 W 8.73 3.88 0.00 3.02 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 53 D 8.39 4.37 0.00 2.81 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 D 8.16 4.50 0.00 2.96 2.69 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 55 C 8.43 4.23 0.00 3.10 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 56 Q 7.59 3.75 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 57 Q 7.94 4.10 0.00 2.44 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 58 L 8.08 3.82 0.00 1.89 1.65 0.95 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.09 4.00 0.00 1.60 1.63 0.91 0.82 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 60 G 8.26 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 61 T 7.61 4.24 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 0.95 0.00 0.00 62 L 7.85 4.39 0.00 1.66 1.72 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.08 4.94 0.00 1.65 1.46 0.61 0.44 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 64 T 8.80 4.40 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 65 G 8.59 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 66 E 8.12 4.00 0.00 2.10 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 2.42 2.48 0.00 67 E 8.06 3.99 0.00 2.28 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 0.00 2.59 2.42 0.00 68 K 8.32 3.77 0.00 1.73 1.99 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.45 7.81 69 Q 8.19 4.02 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 70 R 8.02 3.87 0.00 2.03 2.15 0.00 3.18 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 71 V 7.93 3.51 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 0.94 0.00 0.00 0.61 0.00 0.00 72 L 8.30 3.99 0.00 1.89 1.88 1.03 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.13 3.98 0.00 1.83 1.70 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.00 3.91 0.00 2.09 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 0.00 2.51 2.55 0.00 75 A 7.95 3.76 0.08 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 76 R 7.68 3.87 0.00 1.99 2.02 0.00 3.43 0.00 0.00 3.39 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.76 0.00 77 K 7.85 4.22 0.00 1.86 1.84 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.55 7.81 78 A 7.24 4.40 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 79 V 7.08 3.73 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 1.02 0.00 0.00 1.06 0.00 0.00 80 R 8.34 5.05 0.00 1.81 1.87 0.00 3.25 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.75 0.00 81 G 8.94 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 82 N 8.72 4.38 0.00 2.73 2.90 0.00 0.00 6.80 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.13 4.47 0.00 2.83 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 84 G 8.03 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 85 R 7.25 4.59 0.00 1.71 1.84 0.00 3.14 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 86 P 0.00 4.76 0.00 2.04 1.99 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 87 T 8.43 4.73 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 88 Q 8.46 4.65 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 89 L 7.88 4.13 0.00 1.87 1.62 0.98 0.97 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 90 P 0.00 4.29 0.00 2.17 2.15 0.00 3.62 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 91 N 8.17 4.43 0.00 3.02 3.10 0.00 0.00 6.22 7.66 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 92 E 8.13 4.08 0.00 2.19 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 0.00 2.43 2.39 0.00 93 V 8.11 3.69 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 1.27 0.00 0.00 1.06 0.00 0.00 94 D 8.45 4.44 0.00 2.76 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 95 A 7.89 4.27 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.02 4.49 1.55 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 97 F 8.50 5.09 0.00 3.09 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 98 P 0.00 4.56 0.00 2.07 1.94 0.00 4.14 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.74 0.00 99 L 8.56 4.55 0.00 1.76 1.89 1.02 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.62 4.70 0.00 1.75 1.65 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 2.21 2.24 0.00 101 R 7.76 2.00 0.00 1.22 1.38 0.00 3.03 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.02 0.00 102 P 0.00 3.95 0.00 0.49 0.63 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 103 D 7.62 4.39 0.00 2.69 2.57 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 0.00 104 W 7.31 4.74 0.00 3.35 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 0.00 105 D 8.59 4.46 0.00 2.62 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 0.00 106 Y 8.01 4.45 0.00 3.11 3.15 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 0.00 107 T 8.10 4.44 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 108 T 7.70 4.69 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 109 Q 8.52 3.93 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 110 R 8.01 3.94 0.00 1.89 1.97 0.00 3.20 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 111 G 8.17 3.55 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 0.00 112 R 8.12 3.98 0.00 2.08 2.01 0.00 3.17 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.97 0.00 113 N 8.33 4.25 0.00 2.64 2.74 0.00 0.00 7.07 8.96 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 0.00 114 H 7.90 3.62 0.00 2.20 1.31 0.00 5.62 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 0.00 115 L 7.58 4.00 0.00 1.95 1.78 1.09 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.94 3.60 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 0.99 0.00 0.00 0.99 0.00 0.00 117 L 7.96 4.20 0.00 1.81 1.80 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 8.41 4.26 0.00 3.47 3.36 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 0.00 119 R 8.42 4.00 0.00 2.11 2.02 0.00 3.25 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.05 0.00 120 Q 8.29 4.02 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 121 L 8.38 4.07 0.00 2.01 1.54 1.13 0.44 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 0.00 122 L 8.06 3.88 0.00 1.65 1.84 0.94 0.96 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 0.00 123 L 7.75 4.04 0.00 1.66 1.84 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.14 4.42 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 0.00 125 G 8.12 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *127 Q 7.99 4.33 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 128 N 8.50 4.34 0.00 2.71 2.98 0.00 0.00 7.08 6.89 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 0.00 129 A 8.51 4.19 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.42 3.59 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 0.00 0.00 0.00 131 R 7.75 4.05 0.00 1.99 1.85 0.00 3.19 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 * Residues marked with a * may have inaccurate shift predictions.