NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.0764 8.3331 119.6876 56.4989 30.0569 172.5338 3 G 3.4768 8.6825 110.2538 45.2439 0.0000 171.4262 4 D 4.5014 9.0714 127.5485 52.7683 43.7882 173.0047 5 P 4.2264 0.0000 0.0000 66.0139 31.4878 178.4711 6 D 4.3729 8.5605 117.8084 57.1409 40.6467 178.9812 7 V 3.5928 7.8944 118.3300 66.0184 31.6193 177.8887 8 L 3.9763 8.1385 118.9567 57.8647 41.4444 179.5824 9 R 3.8801 7.9693 118.4479 59.0522 30.0134 178.3754 10 L 3.9175 7.8412 119.9009 58.0625 42.0586 178.8549 11 L 3.9846 8.1755 119.2390 58.1024 41.6334 179.4119 12 N 4.3159 8.3980 116.3845 56.2584 38.4444 177.4296 13 E 3.9845 8.1743 120.2005 59.2856 29.4636 179.0987 14 Q 3.9360 8.2101 119.7624 58.8977 29.1268 177.8384 15 L 3.8368 8.1435 121.7063 58.5512 42.2053 179.1260 16 T 3.7763 7.9007 115.5606 66.6678 68.3080 176.5860 17 S 4.0857 7.9185 114.9835 61.1565 62.2788 176.1250 18 E 3.8843 8.2317 121.6016 59.4472 29.3880 179.3250 19 L 3.8747 7.8343 118.8929 57.8093 41.4645 179.8670 20 T 3.7414 7.6925 115.1206 66.5741 68.4307 176.5750 21 A 3.3150 7.8508 122.6434 54.8084 18.2178 179.6363 22 I 3.5141 7.7779 118.5245 64.6259 37.2437 178.3800 23 N 4.3032 7.8123 116.6273 56.2847 38.4135 177.2576 24 Q 3.8538 8.0856 120.9807 59.4393 29.1996 177.9114 25 Y 4.4518 8.1015 118.0719 61.0965 37.9296 178.2994 26 F 4.1070 8.4467 121.5941 61.2467 39.2713 176.7832 27 L 3.7769 7.8281 118.2333 58.5557 41.9839 178.0199 28 H 4.2654 7.9255 114.8593 59.2072 28.9646 177.5025 29 S 4.4569 8.1380 115.6771 61.1844 62.6702 176.8396 30 K 4.0692 7.3777 119.6400 56.7259 31.0646 178.8484 *32 Q 4.3500 8.0372 120.4028 56.1502 30.9743 177.0823 33 D 4.2581 8.0983 117.2099 57.3098 41.2705 178.0347 34 N 4.0007 7.7113 115.8986 55.9424 38.9558 175.8035 35 W 4.4462 7.6737 116.4648 57.3715 29.4707 176.8290 36 G 3.8258 7.5777 105.1120 46.3505 0.0000 175.0840 37 F 4.8632 7.7892 121.6212 56.9760 35.1389 176.4206 38 T 4.1089 7.5858 112.2848 64.7224 68.8063 176.6742 39 E 3.9929 8.1018 121.3184 59.2143 29.5460 179.0203 40 L 3.8912 8.0235 119.6997 58.0638 42.2091 178.3745 41 A 4.2689 8.4929 121.9062 54.6519 18.1122 179.4936 42 A 3.9746 7.8265 118.6637 55.3663 18.4700 179.4549 43 H 4.0076 7.7847 116.4397 59.8867 29.9826 177.5676 44 T 3.9393 8.1570 117.5834 66.7773 68.1176 176.4894 45 R 4.0266 8.3845 120.4628 59.4021 30.1278 178.4798 46 A 4.1835 7.8699 120.5690 55.2117 18.3503 179.3850 47 E 3.8460 8.0467 116.6941 59.4886 29.2217 179.4925 48 S 4.2664 7.7086 112.0643 61.6779 62.5847 176.1279 49 F 4.2272 7.9353 119.1278 60.2220 39.0059 176.9562 50 D 4.5116 8.1407 118.1153 56.9700 41.1764 178.7220 51 E 4.3830 8.1865 120.5451 56.0622 29.3718 179.0841 *53 R 4.2833 8.0089 120.4241 56.8477 32.4067 176.8307 54 H 4.4101 8.1254 114.3454 58.9476 28.6139 177.3038 55 A 3.9708 8.3577 122.9533 55.4654 18.0462 179.3588 56 E 3.9342 8.1561 116.9638 59.4799 29.8228 178.5622 57 E 3.9825 8.2865 118.6603 59.5639 29.4215 179.5649 58 I 3.7524 7.9961 119.7593 64.5264 37.1513 178.3558 59 T 3.9466 8.1474 116.8304 66.8887 68.2733 176.1111 60 D 4.3586 8.3575 120.6940 57.4795 41.0254 178.8238 61 R 3.8810 7.9516 119.0007 59.5267 30.0640 178.5105 62 I 3.7119 8.0753 119.7391 64.5174 37.2302 178.4413 63 L 4.0227 8.1352 119.8641 57.7335 41.2037 179.3584 64 L 4.0345 8.0269 119.5452 57.6851 42.0531 178.0298 65 L 4.3892 7.4442 116.0289 54.2994 41.7067 176.8515 66 D 4.5582 7.7889 117.5726 54.7317 38.6555 174.3590 67 G 3.9110 7.8652 109.0716 44.3224 0.0000 173.1250 68 L 4.6225 8.0179 120.5972 52.1179 43.3852 174.2136 69 P 4.4317 0.0000 0.0000 62.7123 31.8516 175.7512 70 N 4.7090 8.9438 121.8476 53.0053 38.2890 173.8182 71 Y 4.4096 8.6183 122.1813 57.7923 38.4675 176.5495 72 Q 4.2364 8.6777 123.1736 56.6904 29.8020 175.5840 73 R 4.5264 7.9876 117.7685 54.3281 31.4994 174.8045 74 I 4.4187 8.1065 125.7317 59.2740 39.5814 176.2165 75 G 3.9005 8.4932 113.4121 44.6917 0.0000 173.5465 76 S 4.2388 8.3598 114.6713 58.3983 63.2936 174.1768 77 L 4.5673 8.2633 122.4060 53.4455 42.6258 177.3477 78 R 4.3465 8.2168 124.9323 54.7655 28.7122 174.5936 79 I 4.2031 7.9127 121.3795 60.1111 37.7980 176.3939 80 G 3.8900 8.8517 114.9831 45.5314 0.0000 173.0075 81 Q 4.8375 9.0419 120.2352 55.8389 29.7102 176.0800 82 T 4.4036 7.3375 108.1969 58.5906 73.2061 174.2526 83 L 3.6435 8.2552 121.6932 58.2289 41.6227 179.9034 84 R 3.8714 7.7452 117.5984 59.5288 30.0475 178.2006 85 E 4.0101 8.0374 117.9703 59.4291 29.4088 179.3895 86 Q 3.8566 8.1975 118.3211 58.7950 28.6962 178.7308 87 F 4.5336 7.9946 118.9423 60.7580 38.9991 177.5927 88 E 3.9982 8.4273 117.8722 59.3485 28.8027 179.0876 89 A 4.0897 8.5142 121.1732 55.6323 18.5326 179.5278 90 D 4.6162 8.3522 117.2549 57.2332 40.9272 178.6123 91 L 3.6894 8.1954 120.8661 58.0951 41.8315 178.8190 92 A 4.1984 8.1448 120.5318 55.4693 18.3751 179.6825 93 I 3.7177 7.5811 117.4709 64.4752 37.2740 178.5533 94 E 4.0033 7.9423 118.9391 59.7510 29.2668 179.0308 95 Y 4.3955 7.7812 116.6998 61.1712 37.8641 178.2319 96 D 4.3685 8.0656 119.0443 57.1416 41.2458 178.4041 97 V 3.5947 7.7414 118.4137 66.0172 31.5285 178.0440 98 L 4.0186 7.9041 118.2624 57.9744 41.2668 179.1924 99 N 4.3588 8.2224 115.4240 56.2732 38.4217 176.9918 100 R 4.1268 8.0801 119.9302 58.9407 30.2343 178.2472 101 L 4.1455 8.1847 118.6328 56.8407 41.5790 179.2210 102 K 3.9281 7.8056 118.0212 59.3148 32.5480 177.3117 103 P 4.5037 0.0000 0.0000 65.2306 31.0807 178.8882 104 G 3.7684 7.5967 103.8220 47.8535 0.0000 175.4260 105 I 3.9270 8.0791 122.5406 63.9915 37.1185 179.4689 106 V 3.5115 7.1456 114.9875 63.9387 31.1591 177.2074 *108 C 4.5127 8.1975 117.6072 59.4693 30.1096 176.5263 109 R 4.0046 7.9095 118.2242 59.0991 29.9266 178.8736 110 E 3.9783 8.2206 116.8913 59.2815 29.4544 177.9831 111 K 4.2349 7.9096 114.8900 56.1287 32.2111 176.5952 112 Q 3.6127 7.8902 116.7112 57.1118 26.5965 173.9581 113 D 4.7788 8.0950 120.4535 52.9292 40.4067 176.4633 114 T 4.0225 7.9957 115.7468 64.2481 69.3699 176.8674 115 T 3.8739 7.8446 118.2594 66.6846 68.5460 176.5863 116 S 4.1394 8.3010 116.5505 61.3637 62.7347 176.6297 117 A 3.9569 7.7138 123.5037 55.2565 18.1691 179.8883 118 V 3.6756 8.3334 117.1526 65.8191 31.6083 177.8682 119 L 3.9145 7.8221 119.9701 58.4046 42.0075 179.1819 120 L 4.0783 7.9447 118.5574 57.5019 41.4926 179.3592 121 E 4.0056 8.3379 119.1500 59.2660 29.2811 179.4576 122 K 4.0287 8.1060 118.6163 59.4662 32.0230 179.4961 123 I 3.5708 7.6055 119.6651 64.1705 36.8925 178.5832 124 V 3.5550 7.9226 118.8382 65.9710 30.8902 177.7553 125 A 4.0018 8.0091 120.3844 55.4385 18.3239 179.3405 126 D 4.3640 8.3724 117.3909 57.7124 40.9112 178.9854 127 E 4.0992 8.5749 119.3405 59.3765 29.4153 179.1937 128 E 4.0624 8.5340 118.9672 59.4223 29.5022 179.3015 129 E 3.9946 7.9466 117.9097 59.6645 29.4763 178.9136 130 H 4.2939 8.2018 117.9427 59.2953 29.8847 177.1361 131 I 3.5206 8.1683 122.1255 64.5133 36.8889 177.7922 132 D 4.2791 8.1306 118.6124 57.4168 41.0759 177.5531 133 Y 4.0190 8.0961 119.9240 60.8082 38.9332 178.2074 134 L 3.2648 7.9997 119.9158 57.6308 41.7033 179.4240 135 E 3.8854 8.2056 118.6470 59.6444 29.2783 179.5460 136 T 3.7913 7.9091 115.9152 66.6188 68.2054 176.7694 137 Q 3.6474 7.1775 119.1555 58.6792 28.6053 178.4212 138 L 3.9385 7.1201 118.7378 57.6219 41.9233 179.0384 139 E 4.0945 8.1016 118.6138 59.0235 29.3451 180.2843 140 L 4.2568 7.7952 119.4208 54.7465 41.4697 179.0461 *142 D 4.5378 8.0944 120.2299 54.4347 42.8925 177.5597 143 K 4.1394 8.1490 117.5135 59.0179 32.2416 178.1393 144 L 4.2402 8.1696 117.8536 55.2157 42.5372 178.0542 145 G 4.0622 8.1851 104.9738 45.2497 0.0000 174.0402 146 E 3.9759 8.9763 121.5538 59.4065 29.5116 179.8127 147 E 3.9877 8.0974 117.9580 59.3610 29.4544 179.0016 148 L 3.9999 7.8369 118.7150 58.2291 42.4391 177.8697 149 Y 4.1111 8.4687 119.9602 60.8747 38.7918 178.1878 150 S 4.0804 8.5874 116.0057 61.3408 62.8977 176.4912 151 A 4.1450 8.1905 123.5660 54.8004 17.8652 178.7325 152 Q 4.3226 7.5537 113.8647 56.8673 29.0535 176.2435 153 C 4.6402 8.0991 117.5024 59.4432 29.4649 173.8740 154 V 4.5370 7.2326 111.9194 59.4796 33.3814 175.3769 155 S 4.5107 8.1672 116.4002 57.3493 64.6463 173.5955 156 R 4.3982 8.1281 118.7844 53.6834 31.1213 174.0555 157 P 4.5977 0.0000 0.0000 60.8123 32.6311 174.3294 158 P 4.4726 0.0000 0.0000 63.2158 32.1649 176.6264 159 T 4.6891 8.0071 116.9749 62.3235 71.8685 172.2006 160 S 4.4511 8.0527 115.2611 56.9693 66.2094 174.0944 161 A 3.7635 7.7451 122.5445 54.0635 17.9340 177.5891 162 W 4.3228 7.0400 117.0063 57.1664 28.3777 174.2544 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 2 Q 8.33 4.08 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 5.75 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 3 G 8.68 3.48 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 0.00 0.00 0.00 0.00 4 D 9.07 4.50 0.00 2.80 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.23 0.00 2.19 2.10 0.00 3.65 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 6 D 8.56 4.37 0.00 2.91 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 7 V 7.89 3.59 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 1.22 0.00 0.00 0.93 0.00 0.00 8 L 8.14 3.98 0.00 1.72 1.71 0.93 0.97 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 R 7.97 3.88 0.00 2.04 2.07 0.00 3.09 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 10 L 7.84 3.92 0.00 1.83 1.84 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.18 3.98 0.00 1.87 1.70 0.93 0.75 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 12 N 8.40 4.32 0.00 2.87 2.85 0.00 0.00 7.10 7.86 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 13 E 8.17 3.98 0.00 2.18 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 2.31 2.48 0.00 14 Q 8.21 3.94 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 15 L 8.14 3.84 0.00 1.71 1.76 0.68 1.01 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 16 T 7.90 3.78 4.37 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 1.16 0.00 0.00 17 S 7.92 4.09 0.00 3.89 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 18 E 8.23 3.88 0.00 2.08 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 2.57 2.47 0.00 19 L 7.83 3.87 0.00 1.56 1.59 0.54 0.28 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 20 T 7.69 3.74 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 21 A 7.85 3.31 0.97 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 0.00 0.00 22 I 7.78 3.51 1.90 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 1.44 0.63 0.75 0.00 0.00 23 N 7.81 4.30 0.00 2.90 2.84 0.00 0.00 6.75 7.01 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 24 Q 8.09 3.85 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.26 0.00 25 Y 8.10 4.45 0.00 3.02 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 26 F 8.45 4.11 0.00 3.10 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 27 L 7.83 3.78 0.00 1.77 1.64 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 28 H 7.93 4.27 0.00 3.37 3.33 0.00 5.73 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.14 4.46 0.00 4.24 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 30 K 7.38 4.07 0.00 1.70 1.68 0.00 1.38 0.00 0.00 0.95 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.78 1.18 7.81 *32 Q 8.04 4.35 0.00 2.26 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 33 D 8.10 4.26 0.00 2.85 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 34 N 7.71 4.00 0.00 2.56 2.45 0.00 0.00 7.37 7.47 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 35 W 7.67 4.45 0.00 3.62 2.86 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 36 G 7.58 3.83 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 0.00 0.00 0.00 37 F 7.79 4.86 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 38 T 7.59 4.11 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 1.24 0.00 0.00 39 E 8.10 3.99 0.00 2.14 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 0.00 2.33 2.47 0.00 40 L 8.02 3.89 0.00 1.85 1.93 1.23 1.03 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 41 A 8.49 4.27 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 42 A 7.83 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 7.78 4.01 0.00 3.17 3.55 0.00 5.80 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 T 8.16 3.94 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 1.33 0.00 0.00 45 R 8.38 4.03 0.00 2.05 2.25 0.00 3.24 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 46 A 7.87 4.18 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 47 E 8.05 3.85 0.00 2.02 1.72 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 2.28 2.20 0.00 48 S 7.71 4.27 0.00 4.00 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 0.00 49 F 7.94 4.23 0.00 3.17 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 50 D 8.14 4.51 0.00 3.00 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 51 E 8.19 4.38 0.00 2.22 1.94 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 2.74 2.56 0.00 *53 R 8.01 4.28 0.00 1.89 2.14 0.00 3.20 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 54 H 8.13 4.41 0.00 3.56 3.31 0.00 5.71 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.36 3.97 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 56 E 8.16 3.93 0.00 2.10 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 2.41 2.44 0.00 57 E 8.29 3.98 0.00 2.28 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 58 I 8.00 3.75 1.99 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 1.52 0.86 0.94 0.00 0.00 59 T 8.15 3.95 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 60 D 8.36 4.36 0.00 2.89 2.74 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 61 R 7.95 3.88 0.00 2.05 2.08 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 62 I 8.08 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 1.53 0.94 0.96 0.00 0.00 63 L 8.14 4.02 0.00 1.84 1.72 0.93 0.43 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 64 L 8.03 4.03 0.00 1.78 1.87 0.93 1.13 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 65 L 7.44 4.39 0.00 1.86 1.68 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.79 4.56 0.00 2.87 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 67 G 7.87 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 68 L 8.02 4.62 0.00 1.59 1.57 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.43 0.00 2.36 2.16 0.00 3.76 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 2.11 2.14 0.00 70 N 8.94 4.71 0.00 2.69 2.72 0.00 0.00 7.08 7.09 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 71 Y 8.62 4.41 0.00 2.91 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 72 Q 8.68 4.24 0.00 2.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.62 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 73 R 7.99 4.53 0.00 1.78 1.77 0.00 3.23 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 74 I 8.11 4.42 1.84 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 1.31 0.74 0.86 0.00 0.00 75 G 8.49 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 76 S 8.36 4.24 0.00 3.87 3.82 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 77 L 8.26 4.57 0.00 1.57 1.59 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.22 4.35 0.00 1.80 1.96 0.00 3.20 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 79 I 7.91 4.20 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.76 0.99 0.00 0.00 80 G 8.85 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 0.00 0.00 0.00 81 Q 9.04 4.84 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.65 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 82 T 7.34 4.40 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 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0.00 1.95 1.79 0.58 0.85 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 92 A 8.14 4.20 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 93 I 7.58 3.72 2.11 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 1.53 0.94 0.89 0.00 0.00 94 E 7.94 4.00 0.00 1.87 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 2.66 2.46 0.00 95 Y 7.78 4.40 0.00 3.05 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 96 D 8.07 4.37 0.00 2.83 2.86 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 97 V 7.74 3.59 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 1.07 0.00 0.00 1.01 0.00 0.00 98 L 7.90 4.02 0.00 2.05 1.77 1.02 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.22 4.36 0.00 2.88 2.91 0.00 0.00 7.03 7.30 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 R 7.91 4.00 0.00 2.05 1.97 0.00 3.13 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 110 E 8.22 3.98 0.00 1.97 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 2.35 2.29 0.00 111 K 7.91 4.23 0.00 1.88 1.84 0.00 2.05 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.40 7.81 112 Q 7.89 3.61 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.07 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 113 D 8.10 4.78 0.00 2.63 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 0.00 114 T 8.00 4.02 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 0.00 115 T 7.84 3.87 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 1.22 0.00 0.00 116 S 8.30 4.14 0.00 3.97 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 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0.00 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 L 8.00 3.26 0.00 1.65 1.48 0.76 1.22 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 0.00 135 E 8.21 3.89 0.00 2.02 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 2.36 2.34 0.00 136 T 7.91 3.79 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 1.14 0.00 0.00 137 Q 7.18 3.65 0.00 1.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.98 0.00 0.00 0.00 0.00 0.00 1.35 1.37 0.00 138 L 7.12 3.94 0.00 1.66 1.63 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.10 4.09 0.00 2.07 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 2.28 2.28 0.00 140 L 7.80 4.26 0.00 1.76 1.82 1.00 1.32 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 *142 D 8.09 4.54 0.00 2.77 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 0.00 143 K 8.15 4.14 0.00 1.75 1.86 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.60 7.81 144 L 8.17 4.24 0.00 1.76 1.77 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.19 4.06 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 0.00 0.00 0.00 146 E 8.98 3.98 0.00 2.02 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 2.35 2.38 0.00 147 E 8.10 3.99 0.00 2.07 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 2.41 2.44 0.00 148 L 7.84 4.00 0.00 1.65 1.82 0.93 0.87 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 0.00 149 Y 8.47 4.11 0.00 3.12 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.59 4.08 0.00 4.15 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 0.00 151 A 8.19 4.14 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 0.00 152 Q 7.55 4.32 0.00 1.80 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.66 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 153 C 8.10 4.64 0.00 3.25 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 V 7.23 4.54 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 0.79 0.00 0.00 1.01 0.00 0.00 155 S 8.17 4.51 0.00 3.97 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 8.13 4.40 0.00 1.77 1.88 0.00 3.20 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 157 P 0.00 4.60 0.00 2.14 2.06 0.00 3.50 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 158 P 0.00 4.47 0.00 2.01 1.97 0.00 3.60 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 159 T 8.01 4.69 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 1.17 0.00 0.00 160 S 8.05 4.45 0.00 3.57 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 0.00 161 A 7.75 3.76 -0.06 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 0.00 0.00 162 W 7.04 4.32 0.00 3.33 3.21 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 * Residues marked with a * may have inaccurate shift predictions.