NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3634 8.2493 123.5830 52.4568 20.0333 176.2555 2 T 4.6561 8.2923 110.5347 60.2480 71.4622 172.1541 3 K 5.3127 8.3289 122.8743 54.9351 37.3762 176.1516 4 A 5.4315 9.1640 124.0773 50.9698 23.5371 175.0661 5 V 4.9727 8.7754 117.2153 61.0104 35.4257 173.3684 6 C 4.9423 9.0752 121.9762 58.1861 35.6225 172.6026 7 V 4.4950 8.5017 126.2158 61.6731 32.9570 174.1386 8 L 4.9758 8.9861 129.1838 53.6474 43.2492 176.1002 9 K 4.8268 9.1261 122.2237 55.6600 37.2356 175.9214 10 G 4.3227 7.9461 107.7835 45.9677 0.0000 172.2677 11 D 4.5892 8.8130 118.2151 55.1301 41.9665 176.6535 12 G 4.3595 7.6044 108.9296 43.9904 0.0000 171.5720 13 P 4.4812 0.0000 0.0000 63.2136 32.0796 175.4276 14 V 4.4042 7.5150 120.5137 62.7483 32.1324 174.9467 15 Q 4.7835 8.5888 124.7552 55.4390 32.5962 173.7140 16 G 4.2347 8.2037 106.5784 46.3266 0.0000 171.7862 17 I 5.1998 7.9809 119.2263 59.4840 41.0118 175.0768 18 I 4.6352 8.7547 127.4205 59.4341 40.4006 174.3729 19 N 4.9797 8.3121 123.6160 51.2780 41.4556 173.7788 20 F 5.3802 8.9634 119.8612 55.8474 43.3196 173.7681 21 E 5.2103 9.7180 122.8401 54.9329 33.4590 173.8578 22 Q 4.7277 9.6346 127.5913 54.1476 30.9648 175.1918 23 K 4.0572 9.0135 128.2361 58.4750 32.7423 176.9742 24 E 4.7799 7.8644 117.4543 54.0587 32.4519 177.0254 25 S 4.1320 8.8503 117.6867 60.8094 63.2930 174.6740 26 N 4.7596 8.2056 116.6084 52.7285 38.4756 174.2175 27 G 4.1370 7.8131 108.8647 42.9136 0.0000 171.6876 28 P 4.6889 0.0000 0.0000 62.4248 32.5229 176.2793 29 V 4.6331 8.8359 121.7562 61.3081 33.6373 174.8140 30 K 4.8535 9.3031 128.3833 56.0226 33.6864 175.9796 31 V 4.8071 9.0894 125.1189 60.8126 34.2347 174.2242 32 W 5.3675 8.1557 123.9258 54.8784 31.8479 175.4515 33 G 3.9156 7.5310 106.6120 46.1639 0.0000 170.7166 34 S 5.0332 7.7155 113.9204 57.0422 66.3994 174.2557 35 I 5.0898 8.8473 127.3349 59.3063 40.4201 174.7457 36 K 4.8115 9.0761 125.3874 55.6084 36.2049 176.9030 37 G 3.7583 8.7343 105.9252 46.7446 0.0000 173.5503 38 L 4.3981 7.5903 119.8157 53.1870 42.8846 176.5902 39 T 4.2634 8.1143 111.1717 61.0047 69.5414 174.0632 40 E 4.0961 8.6715 124.4200 57.5064 30.3392 175.1348 41 G 3.7803 8.4364 111.1317 44.0233 0.0000 172.2310 42 L 4.8593 8.1946 119.0957 54.5586 43.0901 176.5065 43 H 4.9336 9.2297 119.4947 53.6886 32.7399 173.2349 44 G 4.0782 9.1827 111.5216 47.0392 0.0000 172.1797 45 F 5.5073 9.3213 124.9459 56.8635 42.4485 173.0254 46 H 5.1517 9.1010 122.9286 54.0082 33.5295 172.8822 47 V 4.5772 8.4852 121.8834 62.1810 32.8221 174.9241 48 H 5.0098 9.2964 125.9315 54.7367 30.3017 176.1588 49 E 3.7153 8.9848 122.8641 58.9115 29.9625 177.0829 50 F 4.8949 8.3132 118.3684 54.8639 41.4547 176.9678 51 G 4.5691 8.3269 112.7784 44.2760 0.0000 174.5388 52 D 4.7773 7.8829 117.6164 52.8520 42.1870 174.6195 53 N 5.7004 8.6873 124.2491 52.3570 39.2742 176.6123 54 T 3.9207 8.4304 111.8276 63.9084 69.1965 174.4919 55 A 4.7311 8.1303 125.5773 51.7151 20.4035 176.3388 56 G 3.8630 7.7674 113.9194 47.8616 0.0000 177.1648 57 C 4.4812 8.6083 117.5499 59.2699 35.2916 175.8735 58 T 3.8656 7.7805 117.7849 66.3365 67.7382 175.9041 59 S 4.4973 7.8837 112.2569 59.2595 63.4964 175.2090 60 A 4.6967 7.4298 126.6668 54.2312 18.3857 178.8536 61 G 4.1012 8.1282 105.7175 44.4697 0.0000 170.6925 62 P 4.7753 0.0000 0.0000 61.8764 34.0757 175.1113 63 H 4.3453 8.5091 116.4120 55.8735 29.4506 175.6314 64 F 4.3113 9.0656 125.6907 57.8541 40.2169 175.3531 65 N 4.9870 7.7121 125.6017 51.8418 38.9151 173.2127 66 P 4.1764 0.0000 0.0000 64.9291 32.2073 177.6999 67 L 4.3000 7.5120 117.0201 53.7626 42.0473 176.1195 68 S 3.6059 7.4597 113.2429 59.8534 60.5044 171.6069 69 R 4.4928 8.1893 118.2114 54.5771 32.5396 176.3549 70 K 4.4608 8.7976 118.5502 55.0895 33.5381 176.2253 71 H 4.1273 8.3975 120.6076 56.4949 30.3653 174.8737 72 G 3.9952 7.3743 112.4201 45.1680 0.0000 172.0632 73 G 4.0098 8.9155 109.3242 43.2680 0.0000 173.3196 74 P 4.4216 0.0000 0.0000 64.5194 31.3480 177.4195 75 K 4.4390 7.9082 115.8719 56.0626 32.2941 175.8849 76 D 4.6969 7.6691 119.4334 53.5280 41.7465 176.4277 77 E 3.9459 8.6244 122.9176 58.7491 29.9646 176.3801 78 E 4.2244 7.9659 120.9132 55.4242 28.5627 174.8733 79 R 4.8455 7.5742 119.7299 55.5288 32.3980 174.8295 80 H 4.4846 9.0433 116.8141 55.3839 29.4691 176.8008 81 V 3.4945 8.2465 122.2738 66.2075 31.7171 177.0673 82 G 3.8592 8.4881 105.3266 47.1151 0.0000 173.5494 83 D 4.9314 8.3301 122.6762 53.0458 40.2801 176.1004 84 L 4.5915 8.4196 120.6568 53.0944 42.5789 177.9660 85 G 4.0655 8.4953 109.7257 46.6205 0.0000 174.4844 86 N 5.5553 8.6628 120.4416 51.3912 42.0778 173.5037 87 V 4.2369 8.7017 115.3526 60.3074 34.8246 174.9826 88 T 4.9812 8.2179 118.5065 61.8872 71.1802 173.0092 89 A 4.8956 8.9621 129.4226 50.6657 21.2599 177.1784 90 D 4.9230 8.6563 121.8934 52.0571 41.4605 177.0274 91 K 4.2316 8.5034 116.9907 59.3125 32.6912 177.0641 92 D 4.5943 8.5030 118.9449 54.0557 41.0925 177.0591 93 G 4.2889 8.4990 108.1323 44.6205 0.0000 172.6739 94 V 4.6908 7.8900 119.3910 60.7633 33.9473 174.2517 95 A 5.2924 9.0155 130.4632 49.6552 20.3743 174.8390 96 D 4.8702 8.5230 121.5598 54.6039 42.2224 176.4055 97 V 4.2786 8.8713 123.6717 61.2258 34.2504 174.7880 98 S 5.2370 8.5190 122.6171 57.7368 63.6728 172.5651 99 I 4.8939 9.1822 120.3520 59.0046 41.7021 173.7494 100 E 5.3032 8.7757 120.7370 54.6399 32.5903 175.2707 101 D 4.8984 9.3626 122.4485 52.5503 44.9369 175.8512 102 S 4.7795 8.8461 119.2051 58.3424 63.6943 174.4522 103 V 4.2540 7.9882 120.8982 64.1530 32.9923 176.3957 104 I 4.0372 8.0321 111.6220 61.1333 37.9222 174.6051 105 S 4.6531 8.1940 115.1554 57.4275 65.4949 173.6255 106 L 4.5138 8.9204 122.2409 54.2520 41.5450 176.2661 107 S 4.4363 7.8617 112.8010 58.2696 65.0336 175.3895 108 G 3.8413 8.4188 108.5503 45.2189 0.0000 173.5215 109 D 4.6455 8.6558 117.8164 54.0640 40.2624 175.6129 110 H 4.7232 7.7050 117.2801 54.7473 29.6782 175.8660 *112 I 3.7551 8.1729 117.0880 59.8078 39.2569 175.5601 113 I 3.6966 7.3257 122.6336 62.8488 37.6436 176.2824 114 G 3.7925 9.3323 112.8009 45.5628 0.0000 172.9062 115 R 4.9615 7.4621 119.1031 54.6917 33.8488 174.5500 116 T 4.9794 8.0238 115.6390 61.9880 70.9295 173.9840 117 L 4.7201 8.5392 129.1132 54.4165 43.8142 175.5125 118 V 5.0312 9.0213 125.8532 61.0206 35.1456 174.1850 119 V 5.0737 8.7417 126.8353 60.4702 33.7956 174.6798 120 H 5.2940 8.9185 121.0604 53.9801 30.8344 174.4719 121 E 4.2707 9.1205 121.9898 59.2910 30.0049 176.2428 122 K 4.6249 8.3402 116.6294 55.4048 36.4046 175.3801 123 A 4.4890 8.4224 121.8413 52.1970 19.0068 176.4888 124 D 4.6948 9.1254 122.4168 54.4289 41.9657 176.2656 125 H 4.4455 9.2642 123.0561 55.9348 28.8599 175.7534 126 L 3.5640 10.1899 118.8952 55.7630 39.5140 175.4738 127 G 4.0784 8.6081 108.2548 45.7814 0.0000 176.0311 128 K 4.0554 7.5611 115.0619 57.5466 31.2771 177.7617 *136 K 4.2961 7.9210 120.8382 55.8631 33.6151 176.0825 137 T 4.0651 8.0279 105.7737 60.9316 70.6027 175.1880 138 G 3.8676 7.9335 110.3601 44.2319 0.0000 172.3476 139 N 4.1945 7.5572 116.0329 54.7251 37.8201 173.8625 140 A 4.6975 7.3504 116.3014 51.0355 19.5182 179.4125 141 G 4.1852 7.9873 107.5398 45.3233 0.0000 173.8154 142 S 4.3886 8.5704 113.2163 58.4153 64.5665 174.1482 143 R 4.2528 8.3908 120.1779 55.7555 29.4519 176.3934 144 L 4.3564 8.9862 125.9100 57.1135 43.1273 177.1030 145 A 4.8863 7.6821 118.0434 51.2662 22.8287 173.9871 146 C 5.6446 8.5950 113.2635 56.1253 44.4854 172.6924 147 G 4.7689 8.0786 104.5714 46.2041 0.0000 172.3724 148 V 4.4913 8.2394 120.6815 62.2263 32.7981 175.4714 149 I 4.1572 8.8321 129.5577 60.9971 38.0204 175.3444 150 G 4.4157 9.0742 114.6336 43.9008 0.0000 172.1996 151 I 4.2726 8.3141 121.6340 61.1402 37.5528 175.5578 152 A 4.8124 8.4491 128.5481 49.6472 21.8880 176.3258 153 Q 4.0726 8.5185 118.9827 56.4426 29.1927 176.1145 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 A 8.25 4.36 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 2 T 8.29 4.66 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 1.24 0.00 0.00 3 K 8.33 5.31 0.00 1.89 1.75 0.00 1.70 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.57 1.52 7.81 4 A 9.16 5.43 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.78 4.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.93 0.00 0.00 6 C 9.08 4.94 0.00 3.11 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 7 V 8.50 4.50 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 0.93 0.00 0.00 0.92 0.00 0.00 8 L 8.99 4.98 0.00 1.66 1.59 1.01 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.13 4.83 0.00 1.64 1.63 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.39 7.81 10 G 7.95 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.81 4.59 0.00 2.68 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 12 G 7.60 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 0.00 0.00 0.00 0.00 13 P 0.00 4.48 0.00 2.22 2.28 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.94 0.00 14 V 7.51 4.40 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.94 0.00 0.00 15 Q 8.59 4.78 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.41 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 16 G 8.20 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 0.00 0.00 0.00 0.00 17 I 7.98 5.20 1.81 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 1.20 1.00 0.82 0.00 0.00 18 I 8.75 4.64 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.17 0.43 0.00 0.00 19 N 8.31 4.98 0.00 1.44 1.42 0.00 0.00 6.48 8.02 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 20 F 8.96 5.38 0.00 2.87 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 21 E 9.72 5.21 0.00 2.46 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 2.30 2.39 0.00 22 Q 9.63 4.73 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 23 K 9.01 4.06 0.00 1.78 1.85 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.49 7.81 24 E 7.86 4.78 0.00 2.03 1.79 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 2.29 2.26 0.00 25 S 8.85 4.13 0.00 3.98 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 26 N 8.21 4.76 0.00 2.72 2.85 0.00 0.00 6.72 7.65 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 27 G 7.81 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 28 P 0.00 4.69 0.00 2.00 2.04 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 29 V 8.84 4.63 2.24 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 1.34 0.00 0.00 1.06 0.00 0.00 30 K 9.30 4.85 0.00 1.93 1.82 0.00 1.56 0.00 0.00 1.43 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.48 1.44 7.81 31 V 9.09 4.81 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 0.90 0.00 0.00 1.10 0.00 0.00 32 W 8.16 5.37 0.00 3.50 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 33 G 7.53 3.92 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 0.00 0.00 0.00 34 S 7.72 5.03 0.00 3.86 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 35 I 8.85 5.09 1.78 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 1.25 0.45 0.92 0.00 0.00 36 K 9.08 4.81 0.00 1.75 1.86 0.00 1.33 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.33 7.81 37 G 8.73 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 38 L 7.59 4.40 0.00 1.82 1.38 0.79 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.11 4.26 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 1.24 0.00 0.00 40 E 8.67 4.10 0.00 1.95 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 2.30 2.36 0.00 41 G 8.44 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 0.00 0.00 0.00 42 L 8.19 4.86 0.00 1.48 1.56 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.23 4.93 0.00 3.00 3.35 0.00 5.64 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 44 G 9.18 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 0.00 0.00 0.00 45 F 9.32 5.51 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 46 H 9.10 5.15 0.00 3.17 2.98 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.49 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 0.91 0.00 0.00 0.87 0.00 0.00 48 H 9.30 5.01 0.00 3.07 3.42 0.00 5.68 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.98 3.72 0.00 1.72 1.19 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 1.47 2.05 0.00 50 F 8.31 4.89 0.00 3.29 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 51 G 8.33 4.57 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 52 D 7.88 4.78 0.00 2.62 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 53 N 8.69 5.70 0.00 2.72 2.77 0.00 0.00 7.30 7.54 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 54 T 8.43 3.92 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 1.21 0.00 0.00 55 A 8.13 4.73 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 56 G 7.77 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 0.00 0.00 0.00 57 C 8.61 4.48 0.00 2.98 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 58 T 7.78 3.87 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 1.23 0.00 0.00 59 S 7.88 4.50 0.00 4.10 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.43 4.70 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.13 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 0.00 0.00 0.00 62 P 0.00 4.78 0.00 2.08 2.24 0.00 3.77 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 2.10 2.02 0.00 63 H 8.51 4.35 0.00 2.84 3.18 0.00 5.72 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 64 F 9.07 4.31 0.00 2.94 2.94 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 65 N 7.71 4.99 0.00 2.46 2.42 0.00 0.00 6.95 7.71 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 66 P 0.00 4.18 0.00 2.05 1.96 0.00 2.95 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 1.52 1.15 0.00 67 L 7.51 4.30 0.00 1.52 1.63 0.67 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.46 3.61 0.00 3.96 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.19 4.49 0.00 1.87 2.00 0.00 3.28 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 70 K 8.80 4.46 0.00 1.75 1.69 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.35 7.81 71 H 8.40 4.13 0.00 3.16 3.19 0.00 5.93 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.37 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.92 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 74 P 0.00 4.42 0.00 2.24 2.36 0.00 3.39 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 75 K 7.91 4.44 0.00 1.77 1.87 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.40 7.81 76 D 7.67 4.70 0.00 2.80 2.56 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 77 E 8.62 3.95 0.00 1.92 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 2.28 2.23 0.00 78 E 7.97 4.22 0.00 2.06 1.82 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 2.33 2.30 0.00 79 R 7.57 4.85 0.00 1.84 1.88 0.00 2.88 0.00 0.00 2.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 80 H 9.04 4.48 0.00 3.46 3.38 0.00 5.65 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 81 V 8.25 3.49 1.57 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 0.85 0.00 0.00 0.61 0.00 0.00 82 G 8.49 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 0.00 0.00 0.00 83 D 8.33 4.93 0.00 2.73 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 84 L 8.42 4.59 0.00 1.69 1.87 0.84 0.89 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 85 G 8.50 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 0.00 0.00 0.00 86 N 8.66 5.56 0.00 2.58 2.69 0.00 0.00 6.69 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 87 V 8.70 4.24 1.82 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 -0.17 0.00 0.00 0.81 0.00 0.00 88 T 8.22 4.98 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 89 A 8.96 4.90 1.25 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 90 D 8.66 4.92 0.00 2.89 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 91 K 8.50 4.23 0.00 1.88 1.98 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.46 7.81 92 D 8.50 4.59 0.00 2.82 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 93 G 8.50 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 0.00 0.00 0.00 0.00 94 V 7.89 4.69 2.33 0.00 0.00 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 0.00 0.00 0.92 0.00 0.00 95 A 9.02 5.29 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.52 4.87 0.00 2.56 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 97 V 8.87 4.28 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 0.84 0.00 0.00 0.61 0.00 0.00 98 S 8.52 5.24 0.00 3.94 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 99 I 9.18 4.89 1.94 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.27 0.95 0.00 0.00 100 E 8.78 5.30 0.00 1.86 1.90 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 2.24 2.29 0.00 101 D 9.36 4.90 0.00 2.82 2.54 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 0.00 102 S 8.85 4.78 0.00 3.90 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 0.00 103 V 7.99 4.25 2.22 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 0.83 0.00 0.00 0.95 0.00 0.00 104 I 8.03 4.04 1.93 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.81 1.03 0.00 0.00 105 S 8.19 4.65 0.00 3.75 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 0.00 106 L 8.92 4.51 0.00 1.88 1.64 0.99 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.86 4.44 0.00 3.91 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 0.00 108 G 8.42 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 D 8.66 4.65 0.00 2.83 2.83 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 0.00 110 H 7.70 4.72 0.00 3.20 3.38 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *112 I 8.17 3.76 1.62 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.23 0.99 0.00 0.00 113 I 7.33 3.70 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.38 0.88 0.00 0.00 114 G 9.33 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 0.00 115 R 7.46 4.96 0.00 1.57 1.77 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.20 0.00 116 T 8.02 4.98 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 1.24 0.00 0.00 117 L 8.54 4.72 0.00 1.82 1.56 0.52 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 118 V 9.02 5.03 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 0.77 0.00 0.00 0.86 0.00 0.00 119 V 8.74 5.07 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 0.71 0.00 0.00 1.02 0.00 0.00 120 H 8.92 5.29 0.00 3.28 3.54 0.00 5.67 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.12 4.27 0.00 2.10 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 2.37 2.31 0.00 122 K 8.34 4.62 0.00 1.77 1.87 0.00 1.39 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.39 7.81 123 A 8.42 4.49 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 9.13 4.69 0.00 2.68 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 0.00 125 H 9.26 4.45 0.00 3.25 3.33 0.00 5.82 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 0.00 126 L 10.19 3.56 0.00 1.77 1.75 0.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.61 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 0.00 0.00 0.00 128 K 7.56 4.06 0.00 1.92 1.87 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.57 7.81 *136 K 7.92 4.30 0.00 1.73 1.85 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.38 7.81 137 T 8.03 4.07 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 1.15 0.00 0.00 138 G 7.93 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 0.00 139 N 7.56 4.19 0.00 2.87 2.99 0.00 0.00 7.05 7.40 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 0.00 140 A 7.35 4.70 1.23 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 0.00 0.00 141 G 7.99 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 S 8.57 4.39 0.00 3.93 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 0.00 143 R 8.39 4.25 0.00 1.68 1.85 0.00 3.23 0.00 0.00 3.07 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.65 0.00 144 L 8.99 4.36 0.00 1.70 1.69 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.68 4.89 1.25 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 0.00 146 C 8.60 5.64 0.00 3.04 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 0.00 147 G 8.08 4.77 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 0.00 148 V 8.24 4.49 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.02 0.00 0.00 149 I 8.83 4.16 1.81 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.37 0.47 0.00 0.00 150 G 9.07 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.31 4.27 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 1.25 0.54 0.91 0.00 0.00 152 A 8.45 4.81 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 0.00 153 Q 8.52 4.07 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.