NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3247 8.2644 123.5807 51.6137 19.9418 176.3406 5 Y 3.9195 8.6405 122.1005 56.9091 39.4871 173.5538 6 D 4.5831 8.4678 127.5301 52.1912 43.0516 175.7662 7 N 4.4062 8.5320 124.6029 55.3084 38.6088 175.5298 8 N 4.6771 8.4493 115.3811 53.1211 39.4291 175.7917 9 N 4.4543 7.6841 117.7386 52.6131 39.2385 175.4777 10 I 3.6677 8.3057 121.5841 64.7093 37.8520 178.1990 11 F 4.5151 8.2284 117.7450 60.1811 38.8547 177.4262 12 A 4.0577 8.6044 120.7236 55.0751 18.1073 179.7873 13 K 4.0142 8.1183 116.9681 59.4434 32.0929 179.0104 14 L 3.8130 8.0737 120.7108 58.5030 41.7113 178.8933 15 I 3.6536 7.6024 118.1231 64.5639 37.1155 177.6550 16 R 4.2978 7.6178 115.4820 55.2983 29.9774 176.0000 17 N 4.2108 7.9670 114.8543 54.3813 36.7066 175.4801 18 E 4.2311 8.3616 119.4767 57.9022 30.0656 177.1134 19 I 4.7042 7.2065 110.1851 57.9235 40.7563 173.1194 20 P 4.5344 0.0000 0.0000 62.6746 32.1172 175.3954 21 S 4.5136 8.0476 112.5519 56.9080 66.1037 173.9478 22 V 4.2416 8.2115 121.3007 61.5580 32.1358 174.0864 23 R 5.0204 8.4329 126.0587 55.3301 30.9535 176.7395 24 V 4.4195 8.8448 115.3675 62.2220 34.1332 175.4800 25 Y 4.9244 7.8027 119.7250 56.5482 42.2332 173.3228 26 E 4.8476 7.5004 124.5796 54.8898 32.6605 173.9427 27 D 4.5432 8.2859 123.3275 52.2272 42.2289 175.0511 28 D 4.1252 8.8638 117.3640 57.4140 41.0647 177.1868 29 D 4.8021 8.8625 118.0943 54.8819 42.6352 176.1490 30 V 5.1123 7.5728 110.3962 59.9161 36.9543 174.2887 31 I 5.1445 8.7271 121.5948 59.6496 41.2518 174.3564 32 A 5.3602 9.3638 128.6376 50.2475 21.6354 175.3937 33 F 5.2968 8.3063 116.0116 55.6306 42.0280 173.4312 34 M 4.6025 8.7792 120.2046 55.0250 32.4470 176.1932 35 D 4.5612 8.5005 124.2959 54.3793 41.6856 176.3961 36 I 4.0474 8.7775 118.3981 62.5161 38.8462 175.2541 37 M 5.0415 8.1941 120.4164 53.5817 32.1335 174.0843 38 P 4.3626 0.0000 0.0000 62.9879 32.5930 177.3073 39 Q 4.2136 8.9530 118.8669 57.6285 29.5524 175.6406 40 A 4.5229 7.4633 118.8177 49.9655 21.9020 173.6051 41 P 4.2901 0.0000 0.0000 64.4459 31.5618 177.1673 42 G 3.2633 8.7779 111.3144 44.4533 0.0000 172.2295 43 H 4.2281 7.9877 120.6264 57.3146 30.7453 174.0357 44 T 5.0559 9.0347 122.5528 61.7145 71.9910 173.2144 45 L 5.0084 8.5007 124.5068 52.8756 44.9383 175.4857 46 V 4.8701 8.5173 122.2834 61.0285 34.2658 174.3814 47 I 5.3904 8.7421 120.8540 58.3569 40.9481 173.1021 48 P 4.9357 0.0000 0.0000 62.7478 31.7317 176.5809 49 K 4.2116 9.0877 121.7077 58.8421 32.7661 177.5167 50 K 4.1828 8.0393 121.6747 55.1916 32.7576 176.1455 51 G 3.4104 8.4437 116.0849 44.9272 0.0000 172.6657 52 S 4.2146 7.4555 116.5940 56.1951 66.2783 175.2204 53 R 4.6073 9.9124 120.8109 58.8815 30.5197 176.6259 54 N 4.4737 8.2044 115.0029 52.9468 41.2417 174.6341 55 L 4.1168 8.7449 116.9610 58.1407 42.5211 180.0623 56 L 4.1595 8.1850 118.4562 56.7676 41.5932 177.3455 57 D 4.7280 7.8615 114.8031 52.6937 40.5021 176.4458 58 A 4.0370 7.3019 122.6813 52.0485 19.1501 177.2206 59 D 4.4606 8.4464 121.5810 54.5447 41.7975 177.9282 60 T 3.7647 8.6682 122.5293 67.4065 68.6446 177.4326 61 E 3.4618 7.9545 119.4874 61.1340 29.3651 181.1086 62 T 4.1372 7.4612 114.3684 66.7900 68.3458 176.6714 63 L 4.1025 7.6656 121.1089 57.2762 41.5064 179.5250 64 F 4.5351 7.0888 117.0839 60.2157 39.0467 175.9226 65 P 4.3244 0.0000 0.0000 65.6960 30.9277 178.5688 66 V 3.4945 7.4336 116.7837 66.0178 31.5358 177.9603 67 I 3.3451 8.0513 118.7259 63.5156 37.7438 177.6496 68 K 3.8351 8.2141 120.6227 59.4760 32.0322 178.6751 69 A 3.8285 7.9017 120.8665 54.8100 18.2538 179.6651 70 V 3.3956 7.7864 117.0704 66.1078 31.5086 178.0795 71 Q 3.8410 8.0005 119.1393 59.0539 28.9396 178.0769 72 K 3.8189 7.9576 120.6144 59.5782 32.1888 178.8722 73 I 3.6601 8.1843 120.2385 64.0279 37.0101 178.0385 74 A 3.9511 8.2803 122.1302 55.1902 18.1753 179.8008 75 K 3.8384 8.0017 116.4677 59.5943 32.1369 179.4533 76 A 3.9656 7.8618 120.8763 55.1305 18.3919 179.7815 77 V 3.6882 8.2812 117.1412 66.0928 31.6345 178.0274 78 K 3.9485 8.0700 119.3513 59.5463 31.8840 178.6677 79 K 3.9735 8.1945 119.6451 59.4034 31.9272 178.7309 80 A 4.0471 8.4302 120.6003 54.0908 18.3208 178.0041 81 F 4.5094 7.8177 112.1354 56.3603 40.4234 175.1471 82 Q 3.3918 7.6495 117.2345 56.7928 26.6204 174.1116 83 A 4.3421 7.9661 118.9270 52.0329 19.5216 178.3396 84 D 4.5531 8.6374 121.2523 57.0982 41.6211 176.4429 85 G 4.2431 7.7205 103.7904 45.3362 0.0000 171.9156 86 I 5.1291 8.1077 119.6699 59.7266 40.7330 175.1711 87 T 4.5481 8.8973 123.9590 61.7994 70.6548 173.5154 88 V 5.3874 8.2874 125.9507 60.7641 33.6893 174.5822 89 M 4.8052 8.3874 125.5730 53.7477 36.6845 174.0466 90 Q 4.1481 8.0142 122.0172 54.7403 31.9880 173.5969 91 F 5.1148 8.4032 125.0913 55.7438 41.0900 174.7818 92 N 4.9666 8.6604 121.9967 52.7069 40.4755 174.9292 93 E 4.3904 9.7489 119.5460 55.9089 29.6553 175.6417 94 A 4.0176 8.8587 122.4019 55.6334 18.3675 180.1276 95 A 3.9679 8.0198 116.4978 54.5480 18.0212 177.8832 96 S 4.3850 8.1010 109.9766 57.7923 62.2724 174.4531 97 Q 3.6093 8.1395 115.3100 56.2788 26.3391 173.4028 98 Q 4.1118 7.3881 120.2975 56.4152 29.4629 175.7294 99 T 4.2383 8.3902 114.1974 62.0982 70.8724 174.3482 100 V 3.8833 7.3222 121.4266 61.3119 32.8359 176.0231 101 Y 4.4504 8.2379 129.1434 57.1088 36.8702 174.6741 102 H 5.3468 7.6114 117.9238 53.8233 33.5898 172.1034 103 L 4.1712 8.3321 128.8086 56.3781 42.2309 175.9937 104 H 5.3560 8.6080 120.3539 54.3655 31.7608 172.4530 105 F 4.7799 9.1916 119.9783 56.2578 41.5396 174.4955 106 H 4.8835 9.1871 120.5566 54.9530 30.6280 174.4470 107 I 4.6615 8.8892 123.4552 59.7241 40.2034 174.5066 108 I 4.6169 8.5417 129.2996 58.3836 39.5751 173.9344 109 P 4.8199 0.0000 0.0000 62.8519 32.3873 175.9381 110 R 4.7537 9.0578 120.1806 54.7401 34.2484 174.2526 111 M 5.2252 8.5371 123.5713 53.6085 35.7068 175.7475 112 E 4.0223 9.3260 118.6554 58.0133 30.0746 177.2186 113 G 3.9445 8.9809 111.4789 44.5392 0.0000 172.9063 114 I 4.2518 7.5788 123.4462 59.9228 37.9531 176.1575 115 E 4.2796 8.5036 121.9313 55.2008 30.4799 173.1539 116 L 4.1644 8.0843 121.3301 54.4235 42.5260 176.7116 *123 I 4.1772 8.0064 121.4232 61.6460 38.3070 175.0468 124 T 4.7328 8.4484 123.8257 60.6063 70.8809 172.4417 125 P 4.3074 0.0000 0.0000 63.4759 31.9908 177.3531 126 T 3.8835 8.8744 118.6686 67.0895 68.3907 176.1675 127 E 3.9314 8.2373 120.4411 59.4677 29.6231 178.9186 128 I 3.7821 7.6624 119.4043 64.4169 37.1229 178.4051 129 L 4.1006 7.9541 119.3352 57.8230 41.5117 179.3587 130 E 4.0102 8.5437 118.8605 59.2924 29.1507 178.9349 131 E 3.9857 8.2701 118.6687 59.7918 29.6367 179.3744 132 N 4.6407 8.3934 116.0721 56.2478 38.5700 177.3978 133 A 4.1883 8.6567 125.1310 55.6179 18.4446 180.4671 134 K 3.9568 8.0761 122.1115 59.8850 31.5661 181.8178 135 K 4.0543 7.3977 117.4647 59.4137 32.2665 179.2483 136 I 3.9376 7.7009 119.4278 64.4062 36.9064 178.6198 137 R 3.9676 8.4108 119.0976 59.3782 29.6977 179.0080 138 A 3.9835 8.0058 119.1065 54.6513 18.4601 178.6734 139 A 4.2932 7.4831 116.2366 52.7260 19.1515 177.3880 140 L 4.0954 7.4926 122.5923 54.8723 41.6761 176.9044 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 4 A 8.26 4.32 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 5 Y 8.64 3.92 0.00 3.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.47 4.58 0.00 2.53 2.30 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 0.00 7 N 8.53 4.41 0.00 2.73 2.89 0.00 0.00 7.14 8.00 0.00 0.00 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 N 8.45 4.68 0.00 2.70 2.81 0.00 0.00 6.96 7.75 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 9 N 7.68 4.45 0.00 2.97 2.94 0.00 0.00 6.51 7.79 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 10 I 8.31 3.67 1.81 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 1.66 1.48 0.70 0.00 0.00 11 F 8.23 4.52 0.00 3.15 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 12 A 8.60 4.06 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 13 K 8.12 4.01 0.00 2.02 1.87 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.78 1.45 7.81 14 L 8.07 3.81 0.00 1.79 1.76 -0.17 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.60 3.65 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.67 0.92 0.00 0.00 16 R 7.62 4.30 0.00 1.93 1.95 0.00 3.32 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 17 N 7.97 4.21 0.00 2.82 2.85 0.00 0.00 6.92 7.33 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 18 E 8.36 4.23 0.00 2.03 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 2.32 2.33 0.00 19 I 7.21 4.70 1.86 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 1.45 0.61 0.91 0.00 0.00 20 P 0.00 4.53 0.00 2.19 2.08 0.00 3.72 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 1.98 1.94 0.00 21 S 8.05 4.51 0.00 3.71 3.51 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 22 V 8.21 4.24 2.16 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 1.14 0.00 0.00 0.97 0.00 0.00 23 R 8.43 5.02 0.00 1.76 1.88 0.00 3.19 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 24 V 8.84 4.42 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.07 0.00 0.00 25 Y 7.80 4.92 0.00 3.04 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 26 E 7.50 4.85 0.00 1.80 1.56 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 2.05 2.35 0.00 27 D 8.29 4.54 0.00 2.85 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 28 D 8.86 4.13 0.00 2.69 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 29 D 8.86 4.80 0.00 2.80 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 30 V 7.57 5.11 2.27 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 0.75 0.00 0.00 1.17 0.00 0.00 31 I 8.73 5.14 1.98 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 1.14 0.72 1.01 0.00 0.00 32 A 9.36 5.36 1.30 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 0.00 0.00 0.00 33 F 8.31 5.30 0.00 3.23 3.06 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 0.00 0.00 0.00 0.00 34 M 8.78 4.60 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.88 0.00 35 D 8.50 4.56 0.00 2.45 2.35 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 36 I 8.78 4.05 1.92 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 1.51 0.59 1.00 0.00 0.00 37 M 8.19 5.04 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 38 P 0.00 4.36 0.00 2.33 2.03 0.00 3.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 39 Q 8.95 4.21 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 40 A 7.46 4.52 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 41 P 0.00 4.29 0.00 1.97 2.07 0.00 3.59 0.00 0.00 3.63 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 42 G 8.78 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 0.00 0.00 0.00 43 H 7.99 4.23 0.00 3.33 3.15 0.00 5.55 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 9.03 5.06 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 1.20 0.00 0.00 45 L 8.50 5.01 0.00 0.27 1.08 0.85 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.52 4.87 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 1.00 0.00 0.00 0.88 0.00 0.00 47 I 8.74 5.39 2.12 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 1.70 0.75 1.01 0.00 0.00 48 P 0.00 4.94 0.00 2.26 2.12 0.00 4.10 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 49 K 9.09 4.21 0.00 1.65 1.94 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.41 7.81 50 K 8.04 4.18 0.00 1.70 1.67 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.41 7.81 51 G 8.44 3.41 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 0.00 52 S 7.46 4.21 0.00 4.16 3.73 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 53 R 9.91 4.61 0.00 2.16 2.28 0.00 3.23 0.00 0.00 3.20 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 54 N 8.20 4.47 0.00 2.93 2.86 0.00 0.00 7.00 7.87 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 55 L 8.74 4.12 0.00 1.84 1.76 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.18 4.16 0.00 1.79 1.73 0.95 1.09 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 57 D 7.86 4.73 0.00 2.77 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 58 A 7.30 4.04 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 59 D 8.45 4.46 0.00 2.64 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 60 T 8.67 3.76 4.15 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 1.10 0.00 0.00 61 E 7.95 3.46 0.00 1.97 1.97 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 2.32 1.98 0.00 62 T 7.46 4.14 4.33 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 0.00 0.00 0.00 1.18 0.00 0.00 63 L 7.67 4.10 0.00 1.49 1.70 0.93 1.17 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 64 F 7.09 4.54 0.00 3.15 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 65 P 0.00 4.32 0.00 2.30 2.48 0.00 3.97 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.06 0.00 66 V 7.43 3.49 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 0.93 0.00 0.00 1.03 0.00 0.00 67 I 8.05 3.35 1.76 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.95 1.02 0.00 0.00 68 K 8.21 3.84 0.00 1.86 2.02 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.41 7.81 69 A 7.90 3.83 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 70 V 7.79 3.40 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 0.86 0.00 0.00 0.41 0.00 0.00 71 Q 8.00 3.84 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 72 K 7.96 3.82 0.00 1.82 1.66 0.00 1.37 0.00 0.00 0.82 0.00 0.00 2.56 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.16 1.30 7.81 73 I 8.18 3.66 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.58 0.87 0.00 0.00 74 A 8.28 3.95 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.00 3.84 0.00 1.94 1.84 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.56 7.81 76 A 7.86 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.28 3.69 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.04 0.00 0.00 78 K 8.07 3.95 0.00 2.00 1.96 0.00 1.68 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.60 7.81 79 K 8.19 3.97 0.00 1.89 1.91 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.44 7.81 80 A 8.43 4.05 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 81 F 7.82 4.51 0.00 3.03 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 7.65 3.39 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 83 A 7.97 4.34 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 84 D 8.64 4.55 0.00 2.71 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 85 G 7.72 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 0.00 0.00 0.00 0.00 86 I 8.11 5.13 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.07 0.88 0.00 0.00 87 T 8.90 4.55 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 1.19 0.00 0.00 88 V 8.29 5.39 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 0.81 0.00 0.00 0.92 0.00 0.00 89 M 8.39 4.81 0.00 1.24 1.38 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 90 Q 8.01 4.15 0.00 1.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.70 0.00 0.00 0.00 0.00 0.00 1.57 1.16 0.00 91 F 8.40 5.11 0.00 2.98 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 92 N 8.66 4.97 0.00 2.70 2.76 0.00 0.00 7.17 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 93 E 9.75 4.39 0.00 2.21 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 2.26 2.43 0.00 94 A 8.86 4.02 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 95 A 8.02 3.97 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 96 S 8.10 4.38 0.00 3.86 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 97 Q 8.14 3.61 0.00 1.55 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 98 Q 7.39 4.11 0.00 2.29 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.74 0.00 0.00 0.00 0.00 0.00 1.80 2.17 0.00 99 T 8.39 4.24 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 1.23 0.00 0.00 100 V 7.32 3.88 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 -0.12 0.00 0.00 0.47 0.00 0.00 101 Y 8.24 4.45 0.00 3.09 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 0.00 102 H 7.61 5.35 0.00 3.47 3.44 0.00 5.95 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.33 4.17 0.00 1.83 1.59 0.79 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.61 5.36 0.00 3.18 3.41 0.00 5.55 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 9.19 4.78 0.00 2.88 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 0.00 106 H 9.19 4.88 0.00 2.97 3.12 0.00 5.55 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.89 4.66 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.67 0.87 0.00 0.00 108 I 8.54 4.62 1.75 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.62 0.79 0.00 0.00 109 P 0.00 4.82 0.00 1.97 1.94 0.00 3.54 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.63 0.00 110 R 9.06 4.75 0.00 1.67 1.79 0.00 3.18 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 111 M 8.54 5.23 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.44 0.00 112 E 9.33 4.02 0.00 1.93 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 2.27 2.17 0.00 113 G 8.98 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 0.00 114 I 7.58 4.25 1.87 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 1.16 0.54 0.91 0.00 0.00 115 E 8.50 4.28 0.00 1.99 1.73 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 2.23 1.90 0.00 116 L 8.08 4.16 0.00 1.63 1.63 0.90 0.82 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 *123 I 8.01 4.18 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.76 0.93 0.00 0.00 124 T 8.45 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 1.24 0.00 0.00 125 P 0.00 4.31 0.00 2.13 2.21 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 126 T 8.87 3.88 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 1.23 0.00 0.00 127 E 8.24 3.93 0.00 2.04 1.97 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 2.40 2.43 0.00 128 I 7.66 3.78 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.56 0.96 0.00 0.00 129 L 7.95 4.10 0.00 1.86 1.77 1.02 1.07 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 0.00 130 E 8.54 4.01 0.00 2.26 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 0.00 2.36 2.51 0.00 131 E 8.27 3.99 0.00 2.27 2.04 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 2.35 2.57 0.00 132 N 8.39 4.64 0.00 3.03 3.21 0.00 0.00 6.95 7.83 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 0.00 133 A 8.66 4.19 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 K 8.08 3.96 0.00 1.81 1.83 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 135 K 7.40 4.05 0.00 1.70 1.53 0.00 1.49 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.28 1.48 7.81 136 I 7.70 3.94 2.08 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 1.74 1.36 0.97 0.00 0.00 137 R 8.41 3.97 0.00 2.03 2.02 0.00 3.16 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 138 A 8.01 3.98 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.48 4.29 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 0.00 140 L 7.49 4.10 0.00 1.80 1.61 1.06 0.68 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 * Residues marked with a * may have inaccurate shift predictions.