NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 S 4.4352 8.3349 115.4101 58.2118 64.4062 172.1531 14 L 4.5649 8.1438 119.1653 52.1804 44.0407 174.2693 15 S 4.6124 8.4410 116.4587 55.6424 66.5236 172.9389 16 A 3.9459 8.3294 126.3840 52.1681 18.5451 177.1033 17 Y 4.5473 8.0608 116.8329 58.3592 38.9305 175.9911 18 K 4.4376 10.7080 123.4148 57.7099 34.8968 175.9938 19 T 4.9627 8.2596 118.8533 61.8943 70.8164 173.2784 20 V 4.6846 8.8293 127.8106 60.9550 33.9225 174.6048 21 V 5.0351 8.6542 128.0236 61.2629 34.6459 174.8179 22 V 5.3514 7.9912 125.4375 60.1214 34.4957 174.4591 23 G 4.2103 8.7275 112.6422 46.2313 0.0000 172.4066 24 T 4.7619 8.3704 114.4260 60.8320 70.6922 172.8995 25 D 4.7903 8.7888 124.8534 52.7462 40.0732 176.9999 26 G 3.9802 8.3283 109.2669 45.5826 0.0000 174.6381 27 S 4.3490 7.8236 113.7813 57.9034 63.6931 174.0515 28 D 4.4776 8.7642 121.6119 57.8144 40.9893 178.2191 29 S 4.2538 8.3347 113.0469 61.7001 62.4671 178.0610 30 S 4.4201 7.8020 115.4009 58.7871 62.3552 176.7924 *32 R 4.2098 8.1952 121.0550 56.2893 31.9040 178.0357 33 A 4.0386 7.7022 119.2358 54.7535 18.1803 179.9481 34 V 3.4875 7.9355 117.0663 66.2525 31.5774 177.7532 35 D 4.3578 8.1115 118.1245 57.5906 40.8070 178.8515 36 R 3.8518 7.9898 118.6575 59.3469 30.0383 178.3280 37 A 3.9700 8.3534 120.7049 55.1302 18.3470 179.5017 38 A 3.9390 8.4676 119.7230 55.3350 18.2456 179.5151 39 Q 3.9446 8.1546 117.3148 59.4526 29.0987 178.4671 40 I 3.9981 7.4924 119.4947 64.0214 37.4661 177.7858 41 A 4.1654 8.5203 122.2865 52.6139 18.6820 179.5653 42 G 3.8120 9.4136 105.2142 47.0072 0.0000 176.5159 43 A 4.5340 8.8670 125.3734 52.1761 20.8194 177.0267 44 D 4.7909 8.1665 113.0823 54.0822 41.0818 175.6841 45 A 4.8960 7.4258 118.8663 49.9758 22.5898 176.0427 46 K 4.4787 9.2176 122.1273 55.3616 34.1518 175.1205 47 L 4.9793 9.1921 130.2520 53.6624 44.1218 174.9430 48 I 4.4852 9.1593 128.7523 59.7503 38.7467 174.8066 49 I 4.6764 8.2606 128.6237 60.4780 38.5252 175.2971 50 A 5.1843 9.0838 128.0038 49.4252 22.9064 174.7695 51 S 4.9353 8.2144 112.6523 56.5998 66.1832 173.1737 52 A 4.5216 8.6924 129.0777 52.2827 18.9650 175.8130 53 Y 4.3615 8.9754 124.7521 56.5111 39.8193 175.5010 54 L 3.2962 8.0114 126.9268 54.5611 38.2285 172.8616 55 P 4.1440 0.0000 0.0000 65.1210 31.9097 177.8228 *76 T 4.2403 7.7621 106.5481 60.6314 70.6664 174.4547 77 A 4.3084 7.8668 125.3795 51.4142 20.4439 176.1684 78 P 4.2415 0.0000 0.0000 65.9869 31.3952 179.0009 79 I 3.7455 7.7649 116.7556 64.2575 37.9982 177.4466 80 Y 4.1366 7.7855 117.2686 60.8354 37.6504 177.8021 81 E 4.0322 8.3614 120.4830 59.2054 29.7685 178.8629 82 I 3.7067 7.6741 119.3708 64.6012 37.2757 178.3732 83 L 4.0229 8.1452 119.7329 57.9865 41.4093 179.3207 84 H 4.7416 8.2637 119.5562 59.0597 29.9667 177.1565 85 D 4.3420 8.5074 120.7070 57.0994 40.5487 178.7541 86 A 3.9850 8.0617 121.5793 54.8691 18.4367 179.4940 87 K 3.8391 8.0593 118.2123 59.4590 32.2085 178.7361 88 E 3.8743 8.0190 119.4745 59.2496 29.6576 178.6738 89 R 3.8645 7.8849 118.4549 59.2488 30.1226 178.1559 90 A 3.9510 8.4055 120.8471 55.5780 18.4331 178.9965 91 H 4.5565 8.1064 115.9237 58.7674 28.6617 177.8172 92 N 4.3808 8.1247 116.0508 56.1002 38.4116 176.9619 93 A 4.2337 7.8047 120.9873 52.8162 18.5144 178.0030 94 G 4.0331 7.7028 105.1525 45.2197 0.0000 173.5620 95 A 4.5080 8.3609 124.2267 51.4808 19.0314 178.5354 96 K 4.1302 8.3519 123.9089 58.7294 33.0046 178.2374 97 N 4.7464 7.7702 122.5195 52.1212 38.0543 173.7659 98 V 5.3256 7.8857 122.3291 60.2913 35.2599 174.1557 99 E 4.7224 8.0141 116.9695 55.5082 32.3969 175.2881 100 E 4.5389 8.7152 123.7979 56.6331 31.6485 176.2420 101 R 4.2412 8.0616 117.2239 55.1811 33.3145 172.0969 102 P 4.6721 0.0000 0.0000 62.6185 32.3682 175.9996 103 I 4.4640 8.8739 124.6910 59.7482 39.3769 174.7997 104 V 4.5338 8.5958 125.7602 62.5640 33.9097 176.2999 105 G 3.7004 8.8080 113.4741 44.4249 0.0000 172.4344 106 A 4.0097 8.5203 122.2371 51.4928 19.1711 176.2279 107 P 4.1620 0.0000 0.0000 66.5998 30.9786 178.5616 108 V 3.5196 7.7335 117.4912 65.6674 31.5054 177.4245 109 D 4.3371 8.1092 117.7791 57.3452 40.6242 178.5493 110 A 3.9828 8.0391 121.1647 55.0978 18.3133 179.4032 111 L 3.7611 8.3777 119.2664 58.3090 42.1181 179.4152 112 V 3.5490 8.1012 118.6428 65.7783 31.4202 177.6018 113 N 4.2249 8.4978 117.2454 56.6634 38.8509 176.3490 114 L 3.9107 8.6536 122.5761 58.3172 42.0692 178.8020 115 A 3.9574 8.2233 120.5860 55.4504 18.4696 179.4314 116 D 4.4006 7.9567 116.9195 57.4053 40.6839 178.8930 117 E 4.0205 8.4966 118.8321 58.9187 29.5814 178.2761 118 E 4.3597 8.2582 115.4888 54.9459 30.2934 176.0214 119 K 3.7849 7.8160 117.0497 56.8803 30.4999 175.2828 120 A 4.2709 8.3191 120.1244 52.6937 18.9317 177.8332 121 D 5.0162 8.6102 118.8376 52.8255 40.6954 175.7851 122 L 4.1431 7.3930 119.8295 54.2892 45.3850 173.2086 123 L 5.1518 8.4676 125.7598 52.9250 44.6573 175.9228 124 V 4.4731 8.5934 121.8332 61.3070 34.6466 174.7032 125 V 4.7383 8.3422 119.3606 59.5587 35.9066 175.0194 126 G 3.8972 8.5269 111.6311 44.2239 0.0000 173.4613 127 N 4.4666 8.5550 122.7045 53.4383 39.6337 174.3745 128 V 4.4755 7.5728 123.0949 60.6009 34.2644 173.3752 129 G 3.9466 7.9022 108.5497 45.5917 0.0000 172.6775 130 L 4.5310 8.3619 119.3630 53.7949 43.0076 177.1794 131 S 4.5917 8.4140 116.5001 58.7816 63.3844 175.1320 132 T 4.3145 7.4298 112.6286 60.6502 70.9752 175.4228 133 I 3.6339 8.2371 121.3951 64.6321 37.0144 178.4510 134 A 4.0576 8.0333 120.9325 55.0942 18.0652 179.4410 135 G 3.6912 8.0725 103.3080 48.3238 0.0000 175.6481 136 R 4.1542 8.0367 120.3956 58.4832 30.0411 178.8521 137 L 3.9437 8.0688 119.8918 57.5625 42.2001 177.3868 138 L 4.3515 8.0819 116.4778 54.6078 41.9241 176.8427 139 G 3.9398 7.5205 109.1584 44.7399 0.0000 173.5985 140 S 4.7826 8.0767 113.2685 56.7062 66.4233 175.1914 141 V 3.6205 8.1527 122.5392 65.4946 31.4498 176.5567 142 P 4.2757 0.0000 0.0000 65.8794 31.1055 178.3178 143 A 3.9868 7.8440 120.5961 54.7020 18.1919 179.1835 144 N 4.2251 8.0667 115.6603 56.8928 39.0600 177.3491 145 V 3.5806 8.3561 120.0290 65.9915 31.5809 177.8033 146 S 4.2680 7.9672 114.1528 60.7461 62.0323 176.2597 147 R 3.9134 7.7895 120.8927 59.2953 29.6780 178.5416 148 R 3.9251 8.1610 116.9187 58.9356 30.2612 178.1151 149 A 4.3687 8.0299 116.7664 50.6841 20.3817 176.7165 150 K 3.8603 7.5826 116.7005 57.1203 29.8251 174.5077 151 V 4.5646 7.7565 116.8903 59.9619 35.1779 174.8001 152 D 4.6657 8.4283 120.2526 53.4174 41.8806 176.2565 153 V 4.3515 8.1801 121.4793 60.7969 33.8439 174.3771 154 L 4.6176 8.5467 128.3438 53.1571 43.9011 175.1346 155 I 4.3076 8.3206 126.8249 59.5372 38.3252 175.0479 156 V 4.1290 8.2359 126.2262 61.4432 32.2415 175.4814 157 H 4.4688 8.8007 122.9491 55.7204 29.1995 174.2826 158 T 4.5433 8.1193 110.7997 60.1766 71.1454 174.6794 159 T 4.2265 8.0559 110.4162 62.0254 68.9830 173.5840 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 13 S 8.33 4.44 0.00 3.97 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 14 L 8.14 4.56 0.00 1.65 1.50 0.86 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.44 4.61 0.00 3.74 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.33 3.95 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 17 Y 8.06 4.55 0.00 3.01 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 18 K 10.71 4.44 0.00 1.57 1.85 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.56 7.81 19 T 8.26 4.96 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 1.27 0.00 0.00 20 V 8.83 4.68 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 0.86 0.00 0.00 0.93 0.00 0.00 21 V 8.65 5.04 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 0.95 0.00 0.00 0.90 0.00 0.00 22 V 7.99 5.35 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 0.75 0.00 0.00 0.95 0.00 0.00 23 G 8.73 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 0.00 0.00 0.00 0.00 24 T 8.37 4.76 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 1.25 0.00 0.00 25 D 8.79 4.79 0.00 2.78 2.67 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 0.00 0.00 0.00 0.00 26 G 8.33 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 27 S 7.82 4.35 0.00 4.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.76 4.48 0.00 2.68 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 S 8.33 4.25 0.00 3.84 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 30 S 7.80 4.42 0.00 4.12 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 *32 R 8.20 4.21 0.00 2.06 2.01 0.00 3.13 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 33 A 7.70 4.04 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 34 V 7.94 3.49 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 1.02 0.00 0.00 0.98 0.00 0.00 35 D 8.11 4.36 0.00 2.98 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 36 R 7.99 3.85 0.00 1.94 2.06 0.00 3.16 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 37 A 8.35 3.97 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 38 A 8.47 3.94 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 39 Q 8.15 3.94 0.00 2.19 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 40 I 7.49 4.00 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.86 1.08 0.00 0.00 41 A 8.52 4.17 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 42 G 9.41 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 43 A 8.87 4.53 1.26 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 44 D 8.17 4.79 0.00 2.69 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 45 A 7.43 4.90 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 46 K 9.22 4.48 0.00 1.81 1.70 0.00 1.85 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.56 7.81 47 L 9.19 4.98 0.00 1.75 1.51 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 48 I 9.16 4.49 1.86 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 1.23 0.69 0.91 0.00 0.00 49 I 8.26 4.68 1.86 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 1.14 0.93 0.90 0.00 0.00 50 A 9.08 5.18 1.17 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 0.00 0.00 51 S 8.21 4.94 0.00 3.88 3.61 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 52 A 8.69 4.52 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 53 Y 8.98 4.36 0.00 2.78 2.99 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 0.00 0.00 0.00 54 L 8.01 3.30 0.00 1.39 1.42 0.62 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.14 0.00 1.99 2.09 0.00 3.61 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 *76 T 7.76 4.24 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 1.20 0.00 0.00 77 A 7.87 4.31 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 78 P 0.00 4.24 0.00 2.20 2.16 0.00 3.70 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 2.15 2.20 0.00 79 I 7.76 3.75 1.95 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 1.44 1.53 0.70 0.00 0.00 80 Y 7.79 4.14 0.00 3.33 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.36 4.03 0.00 2.12 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 0.00 2.47 2.40 0.00 82 I 7.67 3.71 2.06 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 1.54 0.79 0.93 0.00 0.00 83 L 8.15 4.02 0.00 1.96 1.88 0.81 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 84 H 8.26 4.74 0.00 3.39 3.58 0.00 5.83 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 85 D 8.51 4.34 0.00 2.95 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 86 A 8.06 3.99 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 87 K 8.06 3.84 0.00 1.82 1.93 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.26 1.28 7.81 88 E 8.02 3.87 0.00 1.99 2.00 0.00 0.00 0.00 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 2.31 0.00 89 R 7.88 3.86 0.00 2.14 1.90 0.00 3.15 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 90 A 8.41 3.95 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 91 H 8.11 4.56 0.00 3.42 3.35 0.00 5.65 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 92 N 8.12 4.38 0.00 2.86 2.89 0.00 0.00 7.10 6.67 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 93 A 7.80 4.23 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 94 G 7.70 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 95 A 8.36 4.51 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 96 K 8.35 4.13 0.00 1.81 1.85 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.55 7.81 97 N 7.77 4.75 0.00 2.87 2.79 0.00 0.00 6.40 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 98 V 7.89 5.33 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 0.93 0.00 0.00 0.92 0.00 0.00 99 E 8.01 4.72 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 100 E 8.72 4.54 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 2.58 2.35 0.00 101 R 8.06 4.24 0.00 1.85 1.74 0.00 3.09 0.00 0.00 3.16 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 102 P 0.00 4.67 0.00 1.73 1.63 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 103 I 8.87 4.46 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.89 0.92 0.00 0.00 104 V 8.60 4.53 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 0.86 0.00 0.00 0.97 0.00 0.00 105 G 8.81 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.52 4.01 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 0.00 107 P 0.00 4.16 0.00 2.26 2.35 0.00 3.70 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 2.07 2.04 0.00 108 V 7.73 3.52 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 1.13 0.00 0.00 0.92 0.00 0.00 109 D 8.11 4.34 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 0.00 110 A 8.04 3.98 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 0.00 111 L 8.38 3.76 0.00 1.92 1.82 0.90 0.87 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 0.00 112 V 8.10 3.55 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 0.93 0.00 0.00 0.98 0.00 0.00 113 N 8.50 4.22 0.00 2.89 2.96 0.00 0.00 6.83 6.31 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 0.00 114 L 8.65 3.91 0.00 1.75 1.92 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.22 3.96 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 0.00 116 D 7.96 4.40 0.00 2.84 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 0.00 117 E 8.50 4.02 0.00 1.89 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 118 E 8.26 4.36 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 2.29 2.47 0.00 119 K 7.82 3.78 0.00 1.89 1.85 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.36 7.81 120 A 8.32 4.27 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 0.00 0.00 0.00 0.00 0.00 121 D 8.61 5.02 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 0.00 122 L 7.39 4.14 0.00 0.54 1.03 0.55 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.47 5.15 0.00 1.48 1.48 0.89 0.81 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 0.00 124 V 8.59 4.47 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 0.99 0.00 0.00 0.85 0.00 0.00 125 V 8.34 4.74 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.92 0.00 0.00 126 G 8.53 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 0.00 0.00 0.00 127 N 8.55 4.47 0.00 2.67 2.73 0.00 0.00 6.87 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 0.00 128 V 7.57 4.48 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 0.72 0.00 0.00 0.92 0.00 0.00 129 G 7.90 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 8.36 4.53 0.00 1.64 1.59 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 131 S 8.41 4.59 0.00 3.85 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 0.00 132 T 7.43 4.31 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 1.21 0.00 0.00 133 I 8.24 3.63 1.87 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 1.57 0.60 0.91 0.00 0.00 134 A 8.03 4.06 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 0.00 135 G 8.07 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 0.00 136 R 8.04 4.15 0.00 1.85 1.98 0.00 3.29 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 1.84 1.77 0.00 137 L 8.07 3.94 0.00 1.76 1.73 0.92 1.24 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 0.00 138 L 8.08 4.35 0.00 1.73 1.68 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 139 G 7.52 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 0.00 140 S 8.08 4.78 0.00 4.04 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 0.00 141 V 8.15 3.62 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 0.89 0.00 0.00 0.93 0.00 0.00 142 P 0.00 4.28 0.00 2.30 2.29 0.00 3.66 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 2.03 0.00 143 A 7.84 3.99 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 0.00 144 N 8.07 4.23 0.00 3.01 2.94 0.00 0.00 6.84 7.80 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 0.00 145 V 8.36 3.58 2.14 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 0.94 0.00 0.00 0.97 0.00 0.00 146 S 7.97 4.27 0.00 3.96 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 0.00 147 R 7.79 3.91 0.00 1.92 2.02 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 148 R 8.16 3.93 0.00 1.93 1.98 0.00 3.20 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 149 A 8.03 4.37 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 0.00 150 K 7.58 3.86 0.00 1.83 1.84 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.35 7.81 151 V 7.76 4.56 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 0.83 0.00 0.00 0.94 0.00 0.00 152 D 8.43 4.67 0.00 2.69 2.63 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 0.00 153 V 8.18 4.35 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 0.93 0.00 0.00 154 L 8.55 4.62 0.00 1.61 1.54 0.96 1.13 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 0.00 155 I 8.32 4.31 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 1.31 0.76 0.92 0.00 0.00 156 V 8.24 4.13 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 0.83 0.00 0.00 0.98 0.00 0.00 157 H 8.80 4.47 0.00 3.32 3.30 0.00 5.55 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 T 8.12 4.54 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 1.22 0.00 0.00 159 T 8.06 4.23 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 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.