NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.3589 8.1693 120.6341 54.9181 43.0926 175.9274 8 H 4.7608 8.2736 116.9110 53.1202 31.2020 171.5982 9 K 4.5303 9.5214 125.1049 56.4372 33.6741 177.3716 10 E 5.0534 9.4497 123.5638 53.4468 33.5134 173.7644 11 P 4.7778 0.0000 0.0000 63.6212 31.9321 175.1440 12 A 5.0928 8.3621 122.0141 51.2178 22.9154 175.5799 13 T 4.6363 8.4661 108.6834 59.2930 72.0601 173.2917 14 L 4.1472 8.7348 127.2370 56.2358 42.2268 175.8857 15 I 4.2807 8.9131 127.5471 62.5448 38.4040 176.2029 16 K 4.5146 7.6127 121.6865 55.0454 35.4114 174.4966 17 A 4.3846 8.8257 130.9575 52.5756 19.1397 175.6203 18 I 4.3351 8.2611 120.9328 62.1979 39.4731 175.3440 19 D 4.6322 8.1650 115.9998 52.5460 41.8824 174.4315 20 G 4.2575 9.2136 107.2278 48.1381 0.0000 173.9117 21 D 5.1319 8.3524 116.8227 52.3979 41.4183 174.8419 22 T 5.3358 8.2452 109.9950 60.2354 71.9682 173.2966 23 V 4.8342 8.7269 123.3243 59.9490 35.6578 173.8545 24 K 5.0350 9.4046 125.1138 55.3926 33.4944 175.2345 25 L 5.3437 9.0796 126.7930 53.0594 46.6119 175.3547 26 M 4.8832 9.3036 121.7234 55.0446 33.4699 174.2178 27 Y 5.0707 9.0694 128.1547 56.2737 42.0730 175.5996 28 K 3.6893 9.3913 125.4469 57.4512 29.8627 175.9676 29 G 3.9500 8.4942 103.3360 45.8015 0.0000 173.9580 30 Q 4.7177 7.8764 118.6580 52.5997 31.6777 173.1657 31 P 4.8859 0.0000 0.0000 63.4592 32.1453 175.3899 32 M 4.7988 9.1181 122.6004 54.5228 36.2963 173.5865 33 T 4.6492 8.6079 122.7371 63.3767 70.4465 173.2697 34 F 4.9203 9.4956 125.3286 55.6718 41.6847 174.3980 35 R 4.9760 9.1244 124.9971 54.5868 31.6052 175.4013 36 L 4.4845 8.6415 127.6226 54.6093 42.1740 177.2276 37 L 4.0083 8.4509 124.6872 55.7242 42.4036 177.3397 38 L 4.2133 9.6001 120.7646 55.9347 38.7156 173.8717 39 V 5.0832 7.4774 109.6642 60.2899 36.2848 174.3131 40 D 4.8987 9.2688 122.3749 53.2910 43.6359 174.4714 41 T 4.7308 8.8770 117.1614 60.0960 70.7497 172.8046 42 P 4.5463 0.0000 0.0000 63.0485 32.3113 176.0674 43 E 4.0183 9.1326 121.5810 56.6915 30.1790 177.8005 *50 F 4.5576 8.6250 124.0789 58.2777 41.0744 176.1047 51 N 4.4970 8.2252 116.0462 54.7949 37.7534 174.9154 52 E 4.3096 8.1885 119.6180 54.5652 30.8098 175.5529 53 K 3.8001 8.0510 121.7330 57.9191 32.7716 176.6425 54 Y 4.0478 7.5644 120.7970 59.0693 36.0254 171.5934 55 G 3.4516 7.9273 108.4379 47.4844 0.0000 174.5568 56 P 4.0189 0.0000 0.0000 64.9236 31.1008 178.6428 57 E 4.0461 8.0311 116.9199 59.0677 29.5345 178.8352 58 A 4.0415 8.1479 120.8534 55.4119 18.4493 179.7847 59 S 4.2396 8.1220 113.2147 61.9414 63.0399 176.9789 60 A 4.1412 8.3587 123.2533 54.6799 18.0558 179.6334 61 F 3.9546 8.2898 119.5583 61.9506 39.5363 177.5965 62 T 3.9683 8.1682 115.4507 66.4517 68.1205 176.6878 63 K 3.9372 7.9602 121.2633 59.1726 32.1842 178.7516 64 K 3.8087 7.8662 119.7666 59.6920 32.2554 178.0165 65 M 3.8193 7.7141 118.3001 59.1238 31.8618 178.6967 66 V 3.7504 7.8649 111.0034 64.1730 31.8169 178.2384 67 E 4.1142 8.2858 118.1699 59.3239 29.4277 178.6274 68 N 4.4938 8.3145 114.9976 54.0180 39.1017 175.6615 69 A 4.3635 6.8712 122.6247 51.1381 19.1686 177.3743 70 K 4.0965 9.2585 124.8677 58.6528 32.8288 176.9391 71 K 4.6880 9.4204 118.8447 55.0268 35.4840 174.7642 72 I 4.9494 8.3359 124.2197 59.9507 39.5529 174.4181 73 E 5.1674 8.9724 124.2414 54.6288 34.2804 174.6891 74 V 4.5690 8.7785 121.3670 61.0523 35.1849 174.2182 75 E 4.8980 8.8800 127.3352 54.5429 32.5169 174.3376 76 F 4.7034 8.8917 126.1775 57.3267 40.0891 176.2514 77 D 4.7480 8.5142 121.9286 53.7644 43.0620 175.4474 78 K 4.3128 8.5461 116.6455 58.0294 33.2971 178.5071 79 G 4.1444 7.7050 113.3948 45.2759 0.0000 173.7202 80 Q 4.2085 8.5326 122.3901 55.9837 29.7933 176.4817 81 R 4.5078 8.4620 118.8723 56.9569 31.2558 176.3036 82 T 4.9833 7.4965 106.7009 59.5429 71.7910 173.6117 83 D 4.6348 8.7260 124.1854 51.9877 41.6621 176.7224 84 K 3.9548 8.0913 116.7227 59.1764 32.7937 176.9596 85 Y 4.4627 7.8465 116.3603 57.8976 38.0671 176.4796 86 G 3.9421 8.0140 108.8074 45.0099 0.0000 174.0613 87 R 4.1845 7.9073 119.7480 55.5393 31.4950 176.3794 88 G 3.4926 8.5029 111.5253 46.2726 0.0000 172.5242 89 L 5.5028 9.2667 124.1188 52.2901 42.9652 175.5629 90 A 4.7547 8.2248 124.4812 50.1718 23.4711 174.1552 91 E 4.4709 9.0751 119.2361 55.8794 31.1411 176.0462 92 I 4.5708 8.2898 124.5285 59.6230 40.0276 174.0760 93 Y 5.1369 8.8674 124.4917 56.1109 41.0842 174.7543 94 A 4.4438 9.2130 125.8146 49.8164 20.9033 176.1459 95 D 4.4414 9.6141 125.1193 56.1965 38.8457 176.0686 96 G 4.0019 8.0754 105.2109 45.2502 0.0000 172.4311 97 K 4.4634 7.6892 119.8379 55.0172 33.5407 175.4935 98 M 4.3643 8.6605 123.5206 55.0232 33.1071 176.7956 99 V 3.6363 8.5233 127.3724 66.1668 31.4774 177.4517 100 N 4.2519 8.0330 115.6387 56.6234 38.3925 176.8261 101 E 3.9385 8.1014 119.6356 59.1442 29.6387 178.4147 102 A 4.1002 8.2185 120.9269 55.1093 18.3769 179.6351 103 L 3.4201 8.0507 117.5124 57.8372 41.8230 179.9646 104 V 3.8489 7.4220 119.2918 65.4851 31.2655 178.0715 105 R 4.1463 8.1068 117.5074 58.6795 29.9512 177.4367 106 Q 4.4476 7.4490 115.4372 54.8404 29.2683 176.0624 107 G 3.8970 7.7598 108.4574 46.3328 0.0000 174.9860 108 L 4.2650 7.8619 117.2008 54.1452 42.4377 176.2420 109 A 4.7942 7.2301 119.9841 50.5672 22.7100 175.6503 110 K 4.8830 8.8062 120.5165 54.9765 34.4669 176.5005 111 V 4.2645 9.6209 124.6552 63.3261 31.9805 175.0478 112 A 4.2683 8.9764 127.0373 51.1677 23.1011 174.9127 113 Y 3.3529 7.5978 114.4687 58.9477 34.9951 172.4292 114 V 4.0098 7.1839 117.8434 62.0423 31.9504 174.2814 115 Y 4.8551 8.2174 124.7740 55.3109 40.7800 176.0375 116 K 4.0067 8.5115 121.0954 58.4252 33.1227 177.8106 117 G 4.2004 8.9934 111.0349 45.6351 0.0000 173.5704 118 N 5.1932 7.8237 116.9819 53.3308 39.1620 174.9381 119 N 5.0759 7.9740 111.7065 52.5248 38.8995 175.6691 120 T 3.8029 8.3536 117.3145 67.5301 68.8521 174.5730 121 H 4.8512 8.0373 115.6654 55.8022 29.2722 176.3034 122 E 3.9520 8.8087 123.1353 59.9854 29.3371 179.2706 123 Q 4.0222 8.0537 117.1037 58.4722 28.6942 178.1332 124 L 3.9854 7.9464 121.2604 58.2089 42.1893 178.9122 125 L 4.0656 7.9031 118.4968 57.7114 41.5602 179.5464 126 R 3.9231 8.2140 118.2123 58.9405 30.0152 178.8620 127 K 3.8094 8.1334 119.2401 59.5572 32.1909 178.5266 128 A 3.9807 7.7352 120.8930 55.3175 18.2935 179.2657 129 E 3.8867 8.3117 117.4988 59.1579 29.5981 178.8991 130 A 3.7743 8.1108 121.1018 55.1154 18.5244 179.6666 131 Q 3.8326 7.9664 116.1903 58.9376 28.7913 178.6919 132 A 4.0009 8.0177 121.8075 55.1430 18.4197 179.6080 133 K 3.5212 7.6492 117.9557 59.3995 31.9500 178.9765 134 K 3.9443 7.9592 118.8137 58.7123 32.1039 177.5548 135 E 4.4109 7.7104 116.0567 54.5986 29.9704 175.7452 136 K 4.1759 7.7507 117.6947 56.0937 30.5434 174.9007 137 L 4.6091 8.2161 118.1363 54.9044 44.4526 178.5395 138 N 3.2899 9.3625 119.6741 54.1357 38.0100 176.2654 139 I 3.1215 5.4200 126.8961 64.1170 37.9805 176.9442 140 W 4.8688 7.7998 119.0193 56.2877 29.1873 176.5471 141 S 4.7230 7.8416 119.1713 58.0155 62.5612 173.9433 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 7 L 8.17 4.36 0.00 1.67 1.92 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.27 4.76 0.00 3.29 3.26 0.00 5.53 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.52 4.53 0.00 1.62 1.76 0.00 1.40 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.22 1.44 7.81 10 E 9.45 5.05 0.00 2.12 2.09 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 2.43 2.63 0.00 11 P 0.00 4.78 0.00 2.11 2.09 0.00 3.88 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 12 A 8.36 5.09 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 13 T 8.47 4.64 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 14 L 8.73 4.15 0.00 1.65 1.63 0.99 1.03 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 15 I 8.91 4.28 2.06 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 1.14 0.76 0.93 0.00 0.00 16 K 7.61 4.51 0.00 1.80 1.62 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.44 7.81 17 A 8.83 4.38 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 18 I 8.26 4.34 2.06 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 1.47 0.92 0.90 0.00 0.00 19 D 8.16 4.63 0.00 2.86 2.69 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 20 G 9.21 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 0.00 0.00 0.00 0.00 21 D 8.35 5.13 0.00 2.79 2.87 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 22 T 8.25 5.34 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 23 V 8.73 4.83 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 1.01 0.00 0.00 24 K 9.40 5.04 0.00 1.85 1.85 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.63 7.81 25 L 9.08 5.34 0.00 1.73 1.63 0.37 0.47 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 26 M 9.30 4.88 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.46 0.00 27 Y 9.07 5.07 0.00 3.33 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.39 3.69 0.00 1.56 1.65 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.99 0.23 7.81 29 G 8.49 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 30 Q 7.88 4.72 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 31 P 0.00 4.89 0.00 2.11 2.10 0.00 3.80 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 2.02 1.99 0.00 32 M 9.12 4.80 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.16 0.00 33 T 8.61 4.65 4.22 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 1.22 0.00 0.00 34 F 9.50 4.92 0.00 3.08 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 35 R 9.12 4.98 0.00 1.88 1.79 0.00 3.32 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 36 L 8.64 4.48 0.00 1.57 1.61 0.94 1.13 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 37 L 8.45 4.01 0.00 1.65 1.67 1.02 0.96 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 38 L 9.60 4.21 0.00 1.95 1.89 1.04 1.17 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 39 V 7.48 5.08 2.12 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 0.67 0.00 0.00 0.97 0.00 0.00 40 D 9.27 4.90 0.00 2.93 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 41 T 8.88 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 1.31 0.00 0.00 42 P 0.00 4.55 0.00 2.01 2.08 0.00 3.75 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 43 E 9.13 4.02 0.00 1.92 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 2.35 2.43 0.00 *50 F 8.63 4.56 0.00 3.02 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.23 4.50 0.00 2.90 3.02 0.00 0.00 6.02 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 52 E 8.19 4.31 0.00 2.07 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 53 K 8.05 3.80 0.00 1.45 1.34 0.00 1.58 0.00 0.00 0.91 0.00 0.00 2.86 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.34 1.02 7.81 54 Y 7.56 4.05 0.00 3.16 2.96 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 0.00 0.00 0.00 0.00 55 G 7.93 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.02 0.00 1.93 1.68 0.00 3.27 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.88 0.00 57 E 8.03 4.05 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 58 A 8.15 4.04 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 59 S 8.12 4.24 0.00 4.33 4.11 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 0.00 0.00 0.00 0.00 60 A 8.36 4.14 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 61 F 8.29 3.95 0.00 3.35 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.17 3.97 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 1.30 0.00 0.00 63 K 7.96 3.94 0.00 1.97 1.86 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.50 7.81 64 K 7.87 3.81 0.00 1.87 1.88 0.00 1.65 0.00 0.00 1.45 0.00 0.00 2.79 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.28 1.58 7.81 65 M 7.71 3.82 0.00 2.16 1.91 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 66 V 7.86 3.75 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.02 0.00 0.00 67 E 8.29 4.11 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 2.34 2.40 0.00 68 N 8.31 4.49 0.00 2.73 2.84 0.00 0.00 7.02 8.07 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 69 A 6.87 4.36 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 9.26 4.10 0.00 1.72 2.15 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.42 7.81 71 K 9.42 4.69 0.00 1.76 1.86 0.00 1.34 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.38 7.81 72 I 8.34 4.95 2.05 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 1.47 0.83 0.00 0.00 73 E 8.97 5.17 0.00 1.99 1.86 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 2.24 2.24 0.00 74 V 8.78 4.57 1.78 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 0.02 0.00 0.00 -0.14 0.00 0.00 75 E 8.88 4.90 0.00 2.26 1.96 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 0.00 2.31 2.36 0.00 76 F 8.89 4.70 0.00 2.97 2.96 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 0.00 0.00 0.00 0.00 77 D 8.51 4.75 0.00 2.71 2.96 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 0.00 0.00 0.00 0.00 78 K 8.55 4.31 0.00 1.97 1.87 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.40 7.81 79 G 7.71 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.53 4.21 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.89 0.00 0.00 0.00 0.00 0.00 2.19 2.37 0.00 81 R 8.46 4.51 0.00 1.74 1.70 0.00 2.92 0.00 0.00 3.01 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.58 0.00 82 T 7.50 4.98 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 83 D 8.73 4.63 0.00 2.73 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 84 K 8.09 3.95 0.00 1.59 1.71 0.00 1.28 0.00 0.00 1.44 0.00 0.00 2.89 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.53 0.40 7.81 85 Y 7.85 4.46 0.00 3.11 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 86 G 8.01 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 87 R 7.91 4.18 0.00 2.10 1.81 0.00 3.13 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 88 G 8.50 3.49 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 0.00 0.00 0.00 89 L 9.27 5.50 0.00 1.54 1.68 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.22 4.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 9.08 4.47 0.00 1.96 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 92 I 8.29 4.57 1.69 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.34 0.77 0.00 0.00 93 Y 8.87 5.14 0.00 2.84 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 9.21 4.44 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 95 D 9.61 4.44 0.00 2.81 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 96 G 8.08 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 97 K 7.69 4.46 0.00 2.03 1.78 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.38 7.81 98 M 8.66 4.36 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.39 0.00 99 V 8.52 3.64 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 1.03 0.00 0.00 0.93 0.00 0.00 100 N 8.03 4.25 0.00 2.77 2.84 0.00 0.00 6.75 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 0.00 101 E 8.10 3.94 0.00 2.03 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 2.40 2.39 0.00 102 A 8.22 4.10 1.65 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 0.00 0.00 103 L 8.05 3.42 0.00 1.87 1.63 1.01 0.76 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 0.00 104 V 7.42 3.85 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 1.25 0.00 0.00 1.03 0.00 0.00 105 R 8.11 4.15 0.00 1.93 2.10 0.00 3.35 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 106 Q 7.45 4.45 0.00 1.54 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.07 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 107 G 7.76 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 0.00 108 L 7.86 4.26 0.00 1.38 1.51 0.52 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.23 4.79 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 0.00 110 K 8.81 4.88 0.00 1.72 1.79 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.57 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.43 1.12 7.81 111 V 9.62 4.26 2.12 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 0.73 0.00 0.00 1.02 0.00 0.00 112 A 8.98 4.27 1.12 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 0.00 0.00 113 Y 7.60 3.35 0.00 3.20 3.15 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 0.00 114 V 7.18 4.01 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 0.92 0.00 0.00 0.91 0.00 0.00 115 Y 8.22 4.86 0.00 3.01 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 0.00 116 K 8.51 4.01 0.00 1.98 2.01 0.00 1.58 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.50 7.81 117 G 8.99 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 0.00 0.00 0.00 118 N 7.82 5.19 0.00 2.87 2.93 0.00 0.00 6.77 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 N 7.97 5.08 0.00 2.87 3.15 0.00 0.00 6.08 7.22 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 0.00 120 T 8.35 3.80 4.22 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 1.09 0.00 0.00 121 H 8.04 4.85 0.00 3.22 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.81 3.95 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 123 Q 8.05 4.02 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 124 L 7.95 3.99 0.00 1.81 1.92 0.99 0.69 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 0.00 125 L 7.90 4.07 0.00 1.93 1.72 0.94 0.81 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 0.00 126 R 8.21 3.92 0.00 1.84 1.95 0.00 3.26 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 127 K 8.13 3.81 0.00 1.98 2.02 0.00 1.50 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.50 7.81 128 A 7.74 3.98 1.35 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 0.00 0.00 129 E 8.31 3.89 0.00 2.09 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 2.02 2.47 0.00 130 A 8.11 3.77 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 7.97 3.83 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 132 A 8.02 4.00 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 0.00 133 K 7.65 3.52 0.00 1.04 1.52 0.00 1.17 0.00 0.00 1.06 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 0.73 7.81 134 K 7.96 3.94 0.00 1.88 1.92 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.43 7.81 135 E 7.71 4.41 0.00 2.01 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 2.26 2.51 0.00 136 K 7.75 4.18 0.00 1.95 1.88 0.00 1.86 0.00 0.00 1.94 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.51 7.81 137 L 8.22 4.61 0.00 1.78 1.70 1.01 0.65 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 0.00 138 N 9.36 3.29 0.00 2.58 1.54 0.00 0.00 7.14 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 0.00 139 I 5.42 3.12 0.87 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 1.02 0.07 0.11 0.00 0.00 140 W 7.80 4.87 0.00 3.34 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 0.00 141 S 7.84 4.72 0.00 4.01 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 * Residues marked with a * may have inaccurate shift predictions.