NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1183 8.2644 123.5812 51.8750 20.0141 176.4734 *2 N 4.6730 8.4264 120.3937 53.0284 40.9455 174.4577 3 L 3.7953 9.4404 130.1330 58.1024 42.2407 178.8220 4 K 3.7680 7.9280 119.5678 59.7727 32.0470 178.3521 5 Q 3.9208 8.3001 118.6769 59.2302 29.2585 177.5724 6 A 4.1403 8.4458 122.1651 55.4968 18.2716 179.6059 7 L 4.1663 8.0272 116.9982 57.5811 41.8225 179.7304 8 I 3.8116 7.5372 119.6109 64.3463 37.0534 178.0161 9 D 4.5333 8.4970 118.3829 56.3028 40.6722 177.3214 10 N 4.8506 7.5378 113.4501 51.3169 41.5996 173.7156 11 N 4.2022 7.6550 116.6597 54.6237 36.0514 174.3259 12 S 4.6975 8.4614 112.3409 58.6691 64.9968 175.8179 13 I 4.6592 7.6222 121.5847 60.6405 38.0386 175.4551 14 R 4.8107 9.2876 125.3932 54.3025 34.2606 174.3780 15 L 4.7957 8.2164 121.2590 52.9928 44.6128 176.9321 16 G 3.7662 8.5333 112.9968 46.5091 0.0000 172.2661 17 L 4.4992 8.1463 119.6673 53.5775 43.7250 176.5602 18 S 4.9047 8.3089 114.4190 56.9066 65.9720 173.8339 19 A 4.7470 8.3609 126.0783 50.8145 22.0748 175.1913 20 D 4.7132 8.1125 119.7949 54.8674 42.4323 177.4564 21 T 4.6374 7.3090 108.3000 58.9430 73.0554 174.7500 22 W 3.9207 8.0030 118.4692 59.2000 28.1626 178.4324 23 Q 3.4965 6.2151 118.6120 58.7650 28.0837 178.3083 24 E 3.8761 7.9374 119.1667 59.5604 29.5999 179.4592 25 A 4.1081 7.7957 120.7250 54.8694 18.4508 179.9620 26 V 3.6831 8.1293 116.9378 66.1359 31.7256 177.9298 27 R 3.5800 8.1002 118.5299 59.7524 29.5943 178.4915 28 L 4.0276 7.8121 116.4740 57.3869 41.6084 178.8721 29 A 4.2697 7.7276 119.7688 54.2242 18.8238 179.0580 30 V 3.9576 7.9053 116.5231 64.8759 31.7151 177.5866 31 Q 3.9530 8.0016 119.8503 59.0558 28.9865 177.0685 32 P 4.5078 0.0000 0.0000 64.5168 31.3442 177.3244 33 L 4.6393 8.0429 118.7625 54.4702 42.5972 178.6555 34 I 4.2879 7.9456 122.0473 63.6050 37.0839 177.5886 35 D 4.3802 8.0456 118.1142 57.4384 40.1790 177.9969 36 S 4.5456 7.9201 110.4633 57.1320 63.1643 174.2724 37 K 3.9914 8.0561 118.0334 57.6383 30.2870 176.1643 38 A 4.2159 7.5172 123.3273 54.4403 19.6475 178.5795 39 V 4.9933 8.3593 107.2443 60.3082 36.7828 174.9560 40 T 4.9895 8.7282 118.1566 61.6074 71.5595 176.1494 41 S 4.2353 8.9096 117.7416 61.9233 62.7320 176.3785 42 A 4.4286 8.1306 124.5779 53.8674 17.7775 178.8461 43 Y 4.3830 7.8605 119.2195 60.4487 39.2151 176.3443 44 Y 4.1913 8.3131 119.8916 61.0769 38.8721 177.6000 45 D 4.0778 8.0663 118.6519 57.6705 41.0841 179.5052 46 A 4.1498 7.9539 120.5338 54.8290 18.2073 179.8305 47 I 3.6497 7.7442 119.2654 64.4024 37.0855 178.5720 48 I 3.8291 7.4126 119.9827 64.2967 36.9727 178.1738 49 A 4.1292 8.1077 121.6660 55.4899 18.2718 179.9619 50 S 4.3437 8.3100 113.5375 61.7661 62.9041 177.1211 51 T 4.1092 8.4931 119.1289 66.6939 67.9860 176.4536 52 E 4.0688 8.3869 119.8897 59.1487 29.5985 179.0259 53 K 4.0823 7.9153 117.0397 58.2783 33.1730 177.5146 54 Y 4.8024 8.0189 115.2198 55.8938 39.7707 176.5590 55 G 3.9734 8.4349 106.7021 44.1993 0.0000 172.7576 56 P 3.8819 0.0000 0.0000 61.9722 29.1361 177.0077 57 Y 4.0138 7.2088 118.5545 60.3309 38.5515 177.3863 58 Y 4.4078 5.4849 116.1505 56.8922 38.4568 176.5227 59 V 3.7033 6.4526 122.0633 62.0616 29.6751 175.3937 60 L 4.0869 7.6142 120.0420 54.4505 42.3462 175.1214 *62 P 3.9920 0.0000 0.0000 63.5210 32.3685 176.4657 63 G 3.6132 8.4117 112.0966 45.6840 0.0000 171.9856 *65 A 4.1175 7.5941 120.9644 50.8428 21.5805 174.3027 *67 P 3.0530 0.0000 0.0000 62.8637 33.0212 175.7162 68 H 4.9321 7.4691 116.8252 55.1883 31.0713 172.1552 69 A 4.8228 8.6941 121.6757 50.3282 21.9781 175.9986 70 E 4.3334 8.7177 118.5610 55.4746 28.5530 175.5205 71 A 4.6462 8.0357 126.1052 49.9540 22.5756 175.1287 *73 L 3.9316 8.1626 118.6581 56.2236 41.7246 176.7669 74 G 4.0000 8.7109 112.4961 45.3163 0.0000 170.5880 75 V 4.2569 7.5231 118.8242 60.8379 32.7208 174.7190 76 N 4.6764 8.7340 125.8822 54.2011 39.9572 174.8122 77 R 4.5231 7.3764 116.1621 54.5410 33.0835 173.8105 78 N 4.9527 8.8285 122.2988 53.3867 39.1151 174.0254 79 A 4.5385 7.8919 122.3703 51.1223 22.6934 174.8178 80 F 5.4933 8.7982 117.0325 55.7322 42.5221 174.2925 81 A 4.9377 8.9448 121.8470 49.2571 23.3277 175.2171 82 L 4.9877 8.8248 121.2020 54.1157 45.3169 174.7717 83 I 5.7845 8.9042 119.4808 58.5653 41.6496 174.5022 84 T 4.8748 8.2643 117.9595 62.0229 72.6166 172.7402 85 L 5.0832 8.7040 126.2505 53.3738 43.3629 176.3804 86 T 4.0733 8.7397 121.5108 66.2191 68.5471 174.1198 87 K 4.5559 7.7722 119.6714 53.3704 34.8169 173.6317 88 P 4.6837 0.0000 0.0000 63.5477 31.8394 175.7529 89 V 4.5497 9.1843 123.3048 60.3369 34.5114 174.6437 90 T 5.0923 8.4195 119.1086 62.1444 69.8768 174.8199 91 F 3.9711 9.6312 126.3975 56.3384 39.8328 176.7904 92 S 4.2429 7.6624 115.9848 60.0656 62.6916 174.4156 93 D 4.5577 7.9747 119.7828 53.1392 39.5768 177.2492 94 G 3.9670 8.3981 109.1948 45.1522 0.0000 174.0074 95 K 4.3253 8.4707 120.1155 56.0250 33.3058 175.6433 96 E 5.1670 8.6783 122.8559 54.8843 31.9800 174.9946 97 V 4.6162 9.5158 124.7381 61.4053 34.3600 175.8311 98 S 5.0003 9.4211 121.7886 58.0265 66.1641 173.7376 99 V 4.7965 7.8760 118.7236 60.9739 34.0117 174.5312 100 L 4.8149 8.5704 128.5551 53.3405 43.6232 175.6281 101 L 5.1893 8.7164 128.6349 52.3047 41.0763 175.0698 102 T 4.3178 8.3007 119.5374 63.7895 69.9435 172.2066 103 L 5.1844 8.8294 126.8758 53.1992 45.0166 175.3756 104 A 4.8400 8.8339 127.0748 50.1024 22.1838 174.5997 105 A 4.8128 8.2111 122.1836 50.6200 21.9245 176.5026 106 T 4.0473 8.6114 110.2532 62.5589 69.8312 174.3008 107 D 4.9095 7.7258 122.4670 51.4622 43.2411 174.5231 108 P 4.4926 0.0000 0.0000 65.0724 31.7754 177.8209 109 S 4.2174 7.9880 112.7003 59.1585 64.1304 175.8172 110 I 3.6802 7.6228 123.5455 65.1289 36.7846 177.1395 111 H 4.0347 7.5540 116.6032 59.2909 28.4032 177.3045 112 T 4.3074 7.7928 108.5792 64.0098 69.5826 176.5716 113 T 4.1084 7.6428 111.8520 63.4304 67.6123 175.1837 114 V 4.1574 8.1185 119.1602 63.9114 33.8962 177.0430 115 A 4.3160 8.0202 120.6194 54.9348 18.9270 179.0735 116 I 3.7259 8.1739 118.5069 64.3203 37.3052 176.6774 117 P 4.2227 0.0000 0.0000 65.8753 31.0174 178.6556 118 Q 3.9708 7.6267 115.6701 58.9341 28.5886 178.8764 119 I 3.6505 7.8729 120.7728 64.3776 37.2311 178.3245 120 V 3.6875 8.6061 119.4912 66.3309 31.0010 177.9214 121 A 3.9897 7.6209 118.4089 55.0960 18.2239 179.0138 122 L 3.9623 7.5271 120.0216 57.4632 41.8788 178.7330 123 F 4.5793 7.6652 115.2843 58.8660 39.2731 176.9292 124 E 4.3387 7.9940 116.5799 55.8082 29.5963 176.4131 125 L 4.2342 7.3147 119.3428 54.3102 42.4484 176.1910 126 D 4.0953 8.6495 121.6360 54.9293 40.9617 176.9848 127 N 4.1730 8.8007 123.0453 54.5633 37.4197 173.8541 128 A 4.1757 7.7355 125.0452 55.1533 19.4634 179.2925 129 I 3.8275 7.7752 111.2087 64.2800 37.6269 178.1622 130 E 3.9526 8.1210 119.8899 59.0799 29.2479 178.9596 131 R 3.9325 7.6738 116.8674 59.6130 30.3635 178.7410 132 L 4.1285 8.4974 118.7022 57.8172 41.3842 179.8028 133 V 3.6262 8.0966 117.4427 65.5091 31.5821 177.0681 134 A 4.3559 7.9553 117.7496 51.4681 19.0972 177.2690 135 C 4.0963 7.2030 116.5417 60.2161 28.5473 173.6051 136 Q 4.4944 8.1283 124.0836 55.3013 29.5789 175.2061 137 S 4.6382 7.4371 108.5215 56.5861 65.0644 175.4399 138 P 4.2224 0.0000 0.0000 65.6609 30.9414 178.4640 139 K 3.7910 7.5332 119.0482 59.9251 31.8131 178.4393 140 E 4.2858 7.9493 117.1803 58.2465 29.6997 178.7772 141 V 3.6776 7.7026 118.3642 66.1318 31.9996 177.5349 142 L 4.1402 8.4756 118.7762 57.5147 40.8508 178.9430 143 E 4.1131 8.0132 118.1043 56.7299 29.5925 179.0253 *145 V 3.9243 7.8296 120.9065 62.8900 33.7719 176.9865 146 E 3.8847 8.2410 120.1380 59.1974 29.2203 178.2785 147 E 3.9540 7.8456 117.8986 59.4021 29.7755 178.7724 148 S 4.2377 7.7023 115.3735 61.2547 62.6889 176.3265 149 K 4.0923 7.9043 119.8549 57.1566 32.1643 176.7144 150 D 4.7558 6.7029 117.5673 52.1258 42.2599 175.6283 151 S 4.0362 8.7339 114.6877 58.9816 63.3248 171.3816 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 0 A 8.26 4.12 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 *2 N 8.43 4.67 0.00 2.83 2.79 0.00 0.00 6.84 6.66 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 3 L 9.44 3.80 0.00 1.27 1.47 -0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.93 3.77 0.00 1.88 1.80 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.58 7.81 5 Q 8.30 3.92 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.62 0.00 0.00 0.00 0.00 0.00 2.44 2.73 0.00 6 A 8.45 4.14 1.68 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 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.03 4.17 0.00 2.13 1.74 1.03 0.68 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 8 I 7.54 3.81 2.02 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 1.53 1.22 0.92 0.00 0.00 9 D 8.50 4.53 0.00 2.63 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 10 N 7.54 4.85 0.00 2.98 2.85 0.00 0.00 7.08 7.88 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 11 N 7.65 4.20 0.00 2.89 2.85 0.00 0.00 6.90 6.85 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 12 S 8.46 4.70 0.00 3.96 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 13 I 7.62 4.66 1.88 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 1.36 0.50 0.97 0.00 0.00 14 R 9.29 4.81 0.00 1.67 1.78 0.00 3.24 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 15 L 8.22 4.80 0.00 1.48 1.55 0.92 0.99 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 16 G 8.53 3.77 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 17 L 8.15 4.50 0.00 1.72 1.63 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.31 4.90 0.00 3.80 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 19 A 8.36 4.75 1.21 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 20 D 8.11 4.71 0.00 2.78 2.68 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 0.00 0.00 0.00 0.00 21 T 7.31 4.64 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 22 W 8.00 3.92 0.00 1.78 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 23 Q 6.22 3.50 0.00 1.58 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.90 0.00 0.00 0.00 0.00 0.00 1.74 1.16 0.00 24 E 7.94 3.88 0.00 2.15 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 2.28 2.31 0.00 25 A 7.80 4.11 1.48 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 26 V 8.13 3.68 2.42 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 1.18 0.00 0.00 1.42 0.00 0.00 27 R 8.10 3.58 0.00 1.55 1.99 0.00 2.94 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.10 0.00 28 L 7.81 4.03 0.00 1.86 1.74 0.95 0.67 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 29 A 7.73 4.27 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.91 3.96 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 1.30 0.00 0.00 1.11 0.00 0.00 31 Q 8.00 3.95 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.63 0.00 32 P 0.00 4.51 0.00 2.24 2.12 0.00 3.69 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 2.16 2.21 0.00 33 L 8.04 4.64 0.00 1.99 1.75 1.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.95 4.29 2.03 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 1.70 1.78 0.93 0.00 0.00 35 D 8.05 4.38 0.00 2.85 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 36 S 7.92 4.55 0.00 4.13 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 37 K 8.06 3.99 0.00 1.87 1.89 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.39 1.51 7.81 38 A 7.52 4.22 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 39 V 8.36 4.99 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 0.57 0.00 0.00 1.14 0.00 0.00 40 T 8.73 4.99 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 1.28 0.00 0.00 41 S 8.91 4.24 0.00 4.15 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 0.00 42 A 8.13 4.43 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 43 Y 7.86 4.38 0.00 2.97 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 44 Y 8.31 4.19 0.00 3.10 3.17 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 45 D 8.07 4.08 0.00 2.98 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 46 A 7.95 4.15 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 47 I 7.74 3.65 1.78 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.15 0.74 0.00 0.00 48 I 7.41 3.83 1.74 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.04 0.86 0.00 0.00 49 A 8.11 4.13 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 50 S 8.31 4.34 0.00 4.24 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 51 T 8.49 4.11 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 52 E 8.39 4.07 0.00 2.19 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 2.44 2.50 0.00 53 K 7.92 4.08 0.00 1.36 1.68 0.00 1.29 0.00 0.00 0.61 0.00 0.00 2.65 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.02 7.81 54 Y 8.02 4.80 0.00 3.16 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 55 G 8.43 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 0.00 0.00 0.00 56 P 0.00 3.88 0.00 1.70 1.91 0.00 3.57 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 1.97 1.81 0.00 57 Y 7.21 4.01 0.00 3.03 3.05 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 0.00 0.00 0.00 58 Y 5.48 4.41 0.00 3.04 2.97 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 59 V 6.45 3.70 1.70 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 0.44 0.00 0.00 0.05 0.00 0.00 60 L 7.61 4.09 0.00 1.59 1.63 0.94 1.18 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 *62 P 0.00 3.99 0.00 2.04 2.01 0.00 3.65 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 1.90 2.05 0.00 63 G 8.41 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 0.00 0.00 0.00 *65 A 7.59 4.12 1.09 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 0.00 0.00 *67 P 0.00 3.05 0.00 1.95 1.61 0.00 3.75 0.00 0.00 3.90 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 68 H 7.47 4.93 0.00 3.35 3.41 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.69 4.82 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 70 E 8.72 4.33 0.00 2.00 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 2.25 2.17 0.00 71 A 8.04 4.65 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 *73 L 8.16 3.93 0.00 1.83 1.83 0.99 1.18 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 74 G 8.71 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 75 V 7.52 4.26 1.91 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 0.65 0.00 0.00 0.34 0.00 0.00 76 N 8.73 4.68 0.00 2.64 2.77 0.00 0.00 6.99 8.25 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 77 R 7.38 4.52 0.00 1.72 1.67 0.00 3.27 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 78 N 8.83 4.95 0.00 2.53 2.54 0.00 0.00 7.04 7.35 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 79 A 7.89 4.54 1.14 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 80 F 8.80 5.49 0.00 2.93 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 81 A 8.94 4.94 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 82 L 8.82 4.99 0.00 1.79 1.52 0.99 0.75 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 83 I 8.90 5.78 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.74 1.01 0.00 0.00 84 T 8.26 4.87 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 1.26 0.00 0.00 85 L 8.70 5.08 0.00 1.68 1.74 1.06 1.21 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 86 T 8.74 4.07 4.40 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 1.23 0.00 0.00 87 K 7.77 4.56 0.00 1.68 1.67 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.43 7.81 88 P 0.00 4.68 0.00 2.09 2.07 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 89 V 9.18 4.55 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 1.02 0.00 0.00 1.06 0.00 0.00 90 T 8.42 5.09 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 1.31 0.00 0.00 91 F 9.63 3.97 0.00 2.96 2.65 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 92 S 7.66 4.24 0.00 3.95 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 93 D 7.97 4.56 0.00 2.73 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 94 G 8.40 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 0.00 0.00 0.00 95 K 8.47 4.33 0.00 1.76 1.65 0.00 1.48 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.56 7.81 96 E 8.68 5.17 0.00 1.93 1.89 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 2.37 2.31 0.00 97 V 9.52 4.62 2.37 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 0.86 0.00 0.00 0.72 0.00 0.00 98 S 9.42 5.00 0.00 3.77 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.88 4.80 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 1.05 0.00 0.00 1.04 0.00 0.00 100 L 8.57 4.81 0.00 1.72 1.66 1.07 0.56 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 0.00 101 L 8.72 5.19 0.00 1.86 1.75 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.30 4.32 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 1.37 0.00 0.00 103 L 8.83 5.18 0.00 1.83 1.63 0.98 0.94 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 0.00 104 A 8.83 4.84 0.89 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 0.00 105 A 8.21 4.81 1.01 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 0.00 106 T 8.61 4.05 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 1.14 0.00 0.00 107 D 7.73 4.91 0.00 2.71 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.49 0.00 2.28 2.33 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 109 S 7.99 4.22 0.00 4.04 4.16 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 0.00 0.00 0.00 0.00 110 I 7.62 3.68 1.99 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 1.48 0.51 0.76 0.00 0.00 111 H 7.55 4.03 0.00 3.21 3.40 0.00 5.80 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 0.00 112 T 7.79 4.31 4.27 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 1.25 0.00 0.00 113 T 7.64 4.11 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 0.00 114 V 8.12 4.16 2.25 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 1.03 0.00 0.00 0.95 0.00 0.00 115 A 8.02 4.32 1.53 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 0.00 0.00 116 I 8.17 3.73 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.93 0.96 0.00 0.00 117 P 0.00 4.22 0.00 2.18 2.13 0.00 3.69 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.22 0.00 118 Q 7.63 3.97 0.00 2.27 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 119 I 7.87 3.65 2.08 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 1.66 1.61 1.23 0.00 0.00 120 V 8.61 3.69 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 1.04 0.00 0.00 1.02 0.00 0.00 121 A 7.62 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 0.00 122 L 7.53 3.96 0.00 1.42 1.31 0.68 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.67 4.58 0.00 3.07 3.05 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 0.00 0.00 0.00 124 E 7.99 4.34 0.00 2.16 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 2.38 2.66 0.00 125 L 7.31 4.23 0.00 1.71 1.57 0.85 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.65 4.10 0.00 2.65 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 0.00 127 N 8.80 4.17 0.00 2.76 2.76 0.00 0.00 7.21 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.74 4.18 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 I 7.78 3.83 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.84 1.07 0.00 0.00 130 E 8.12 3.95 0.00 2.20 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 2.42 2.48 0.00 131 R 7.67 3.93 0.00 2.09 2.01 0.00 3.15 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 132 L 8.50 4.13 0.00 1.95 1.80 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.10 3.63 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 0.83 0.00 0.00 1.02 0.00 0.00 134 A 7.96 4.36 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 0.00 135 C 7.20 4.10 0.00 3.19 2.89 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 0.00 136 Q 8.13 4.49 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 137 S 7.44 4.64 0.00 3.98 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 P 0.00 4.22 0.00 2.18 2.17 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 139 K 7.53 3.79 0.00 1.90 1.83 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.48 7.81 140 E 7.95 4.29 0.00 2.17 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 2.46 2.16 0.00 141 V 7.70 3.68 2.21 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 0.85 0.00 0.00 0.92 0.00 0.00 142 L 8.48 4.14 0.00 1.83 1.69 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.01 4.11 0.00 2.19 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 2.31 2.29 0.00 *145 V 7.83 3.92 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 0.87 0.00 0.00 0.90 0.00 0.00 146 E 8.24 3.88 0.00 2.11 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 2.29 2.34 0.00 147 E 7.85 3.95 0.00 2.14 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 2.29 2.34 0.00 148 S 7.70 4.24 0.00 3.93 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 0.00 149 K 7.90 4.09 0.00 1.74 1.85 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.69 7.81 150 D 6.70 4.76 0.00 2.83 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 S 8.73 4.04 0.00 4.00 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 * Residues marked with a * may have inaccurate shift predictions.