NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4482 8.3049 120.3508 55.1627 33.4319 174.4217 2 K 4.5275 8.5035 123.9252 52.6504 35.0426 173.9920 3 S 5.0201 8.3483 117.3926 56.5558 66.7924 172.7000 4 R 5.2371 8.5737 118.4208 54.7398 32.6523 173.9410 5 I 4.7221 8.5875 114.0656 59.5233 40.3107 174.4172 6 I 5.2653 8.6335 123.9658 59.7998 40.5501 175.1986 7 V 4.6038 8.7963 118.4809 59.6457 35.5701 174.6229 8 R 5.1972 8.7258 123.1254 54.9085 32.5238 174.9549 9 T 4.8841 9.2397 117.6209 61.0983 71.8038 171.7427 10 S 5.2524 8.6000 115.7351 57.3714 65.3834 172.8045 11 F 5.0650 8.5030 118.7442 56.1030 41.5484 172.5294 12 D 5.5677 8.3802 117.8174 52.9109 44.2908 175.1611 13 A 4.6591 8.1016 120.1326 51.8028 23.5595 175.1375 14 A 5.1323 8.2440 120.6777 50.9355 22.5416 175.7872 15 H 5.0021 8.3267 112.5472 55.5601 30.7828 172.7894 16 A 4.4688 7.8045 119.7119 52.0109 20.0345 175.3546 *27 H 4.7122 7.6265 121.7526 55.2245 30.6393 173.9544 28 G 3.9319 8.1549 110.1206 46.0195 0.0000 169.7103 29 H 4.8951 9.1381 119.9394 54.5228 33.2011 173.4068 30 T 4.5371 7.8458 116.0428 62.2122 70.4230 173.7921 31 F 4.6503 8.8864 125.8819 55.5673 41.7385 174.6646 32 F 5.0818 9.3034 122.7576 55.9045 41.0015 174.2397 33 L 5.3682 9.2084 127.1269 53.2911 44.5252 174.6100 34 E 5.2611 9.6514 126.9535 54.4562 32.9022 174.2395 35 V 4.9808 9.0424 126.6927 61.0658 34.5931 173.7155 36 A 5.3260 9.1667 129.9512 50.2823 21.6563 174.9528 37 I 4.8484 8.7524 123.8176 59.5383 39.9316 174.6231 38 E 4.9617 9.1220 128.9040 54.8472 31.6757 175.1704 39 G 4.2097 7.8635 111.6609 46.5568 0.0000 172.1248 40 E 4.4583 7.9690 118.7310 55.1584 30.6310 176.3174 41 I 4.0863 8.0748 122.8563 60.7455 37.5933 175.7855 42 K 4.3751 8.1359 125.0132 55.5284 34.9794 176.1122 43 N 4.1669 9.7590 120.6123 54.6053 37.2440 174.9713 44 G 4.0752 9.6692 103.1748 45.1776 0.0000 173.3826 45 Y 4.8160 7.3331 116.6218 55.5013 41.1457 176.2756 46 V 3.6018 8.3956 120.5090 64.8532 31.9940 175.7773 47 M 4.8650 7.5203 115.7609 52.8450 35.0493 173.9498 48 D 4.0113 8.7709 123.4890 54.4226 42.3417 176.9649 49 F 4.4071 8.5679 125.9720 61.0022 38.9878 177.5985 50 L 4.0735 8.0775 117.7859 58.0782 41.4057 178.7804 51 E 3.9403 8.9193 118.7954 59.4606 29.3335 178.8622 52 L 3.9382 8.1765 119.7840 58.7060 42.1133 179.4755 53 R 3.9323 8.2382 118.2336 59.0781 29.9455 178.4405 54 K 3.9348 8.2577 119.7797 59.4832 32.3735 178.6615 55 I 3.8854 7.8647 121.4830 63.9560 37.0131 178.5101 56 V 3.6420 8.0920 119.0409 66.2627 31.3736 177.9878 57 E 4.0155 8.5727 118.3482 59.2147 29.3438 179.2245 58 E 3.9995 8.1470 119.0496 59.2499 29.6093 179.4030 59 I 3.8607 7.6875 119.7666 64.7179 37.2746 178.7193 60 T 3.5985 8.2044 110.5685 64.1287 68.3480 176.3541 61 K 4.0157 7.7807 121.9580 59.2459 32.1801 177.9386 62 E 4.1655 7.9306 116.9833 58.0560 29.6775 177.9472 63 L 4.2179 7.3010 118.2418 54.7511 42.2834 176.2223 64 D 4.4098 7.8669 118.7154 56.5327 41.4353 176.9127 65 H 4.0653 9.2809 122.8246 56.9516 28.1650 173.2370 66 R 4.6113 7.6210 118.5491 55.2854 33.7340 173.7556 67 N 5.1129 8.2660 119.5199 51.4326 37.7004 174.6814 68 L 4.0859 8.4266 124.9728 57.9355 42.0515 179.6145 69 N 4.5859 7.8885 113.6178 55.2796 38.3945 176.0186 70 N 4.6253 8.4464 118.1745 54.1839 38.1997 176.1526 71 I 4.0429 7.6211 118.1665 60.1124 39.0168 174.9362 72 F 4.8209 7.9947 118.3322 55.7634 42.0906 176.0342 73 E 4.0431 8.9274 123.7812 59.2598 29.5288 177.0258 74 N 4.7767 7.4398 113.4659 52.1291 40.4391 173.1594 75 P 4.1964 0.0000 0.0000 61.8704 30.0118 177.1401 76 T 4.2906 7.2540 110.3150 61.2965 71.8293 175.3966 77 T 3.8959 8.4164 118.7117 66.9484 68.4847 176.6376 78 E 3.9642 8.1049 119.8853 59.6488 29.5950 179.0813 79 N 4.5536 8.1752 116.3482 56.2413 38.5768 177.6913 80 I 3.5351 8.1363 121.6817 64.0102 36.9952 178.3423 81 A 4.1230 8.2445 121.7970 55.1263 18.2756 179.5790 82 L 4.1262 8.1043 117.5910 57.7366 41.6206 179.4405 83 W 4.6530 8.4861 129.4698 60.1004 30.6665 177.9622 84 I 3.8713 8.5121 119.7598 64.3981 36.6318 178.5235 85 G 3.7271 8.5313 106.7808 48.0736 0.0000 175.3613 86 E 3.8373 8.1683 121.1151 59.1750 29.2257 179.6487 87 R 3.8320 7.1566 116.8306 58.3844 30.4078 178.8757 88 I 3.7552 7.7125 120.1002 64.3318 36.9357 178.0781 89 R 3.7263 7.7841 119.4773 59.8088 29.5509 178.2488 90 D 4.2873 7.5356 116.4783 56.3028 40.8514 177.7838 91 K 4.3401 7.4381 116.3752 55.1170 32.9967 176.5624 92 L 4.1699 6.9839 120.7642 53.3780 42.1736 175.2057 93 P 4.4598 0.0000 0.0000 61.7938 32.0124 173.9594 94 P 4.2481 0.0000 0.0000 63.4806 31.7384 176.8105 95 Y 3.8632 8.1107 115.5700 58.2572 35.6549 169.6832 96 V 4.7605 7.3787 111.5506 59.1881 35.5826 174.5760 97 K 4.6516 8.7431 120.1641 54.7583 36.3735 175.2545 98 L 4.1794 8.3615 124.2260 55.4924 41.9286 175.9165 99 K 4.5754 9.1674 128.3839 58.2646 34.0617 176.0972 100 R 5.3538 7.8361 117.7888 55.2199 33.9565 173.8217 101 V 4.9637 9.1255 124.5926 61.2087 35.1203 174.1191 102 V 4.7908 9.1595 127.8600 60.9706 34.4747 173.7099 103 L 5.2823 8.8689 130.3354 53.2543 44.7424 174.7617 104 W 5.1518 9.7489 127.3173 55.2786 31.3912 175.1525 105 E 4.1292 9.6028 127.2756 57.0166 29.2910 174.7874 106 G 3.8467 8.2506 114.0194 43.8576 0.0000 170.6341 107 K 4.3450 8.5412 117.7768 56.3364 33.5923 177.0130 108 D 4.9709 7.9841 117.1538 52.8686 40.0819 175.1219 109 N 5.0233 8.7848 117.5998 53.3087 42.5385 173.8774 110 G 3.7854 8.3203 109.9367 44.9613 0.0000 170.9914 111 V 4.4046 8.5301 119.2051 60.6844 34.6857 173.8188 112 E 4.9442 8.6311 127.6722 54.3684 31.8175 174.5342 113 L 4.4765 8.9645 127.4067 52.7266 44.3527 175.1482 114 E 4.9077 8.0614 123.5128 54.0089 32.6909 175.2394 115 W 4.4383 9.1631 125.6623 56.8424 29.2548 175.4774 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 1 M 8.30 4.45 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 2 K 8.50 4.53 0.00 1.85 1.70 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.52 1.51 7.81 3 S 8.35 5.02 0.00 3.86 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 4 R 8.57 5.24 0.00 1.87 1.95 0.00 3.07 0.00 0.00 3.35 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 5 I 8.59 4.72 1.95 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 1.25 0.74 0.83 0.00 0.00 6 I 8.63 5.27 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.79 1.01 0.00 0.00 7 V 8.80 4.60 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 0.91 0.00 0.00 1.04 0.00 0.00 8 R 8.73 5.20 0.00 1.71 1.92 0.00 3.17 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 9 T 9.24 4.88 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 1.40 0.00 0.00 10 S 8.60 5.25 0.00 3.89 3.68 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 11 F 8.50 5.07 0.00 3.30 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 12 D 8.38 5.57 0.00 2.86 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.10 4.66 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 14 A 8.24 5.13 1.11 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 0.00 0.00 15 H 8.33 5.00 0.00 3.25 3.36 0.00 5.49 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.80 4.47 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 *27 H 7.63 4.71 0.00 3.16 3.38 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.15 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 0.00 0.00 0.00 29 H 9.14 4.90 0.00 2.23 2.70 0.00 5.62 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.85 4.54 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 0.50 0.00 0.00 31 F 8.89 4.65 0.00 1.51 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 0.00 0.00 0.00 0.00 32 F 9.30 5.08 0.00 3.15 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 9.21 5.37 0.00 2.01 1.74 1.14 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 34 E 9.65 5.26 0.00 2.22 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 2.32 2.34 0.00 35 V 9.04 4.98 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.05 0.00 0.00 36 A 9.17 5.33 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 8.75 4.85 1.92 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 1.18 1.33 0.97 0.00 0.00 38 E 9.12 4.96 0.00 2.08 1.83 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 2.27 2.45 0.00 39 G 7.86 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 40 E 7.97 4.46 0.00 1.99 1.82 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 2.35 2.32 0.00 41 I 8.07 4.09 1.84 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 1.40 0.45 0.90 0.00 0.00 42 K 8.14 4.38 0.00 1.44 1.43 0.00 1.68 0.00 0.00 1.46 0.00 0.00 2.72 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.19 1.28 7.81 43 N 9.76 4.17 0.00 2.69 2.60 0.00 0.00 7.21 7.98 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 44 G 9.67 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 7.33 4.82 0.00 3.00 2.91 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 46 V 8.40 3.60 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 0.97 0.00 0.00 0.98 0.00 0.00 47 M 7.52 4.86 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 48 D 8.77 4.01 0.00 2.66 2.51 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 49 F 8.57 4.41 0.00 3.11 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.08 4.07 0.00 1.99 1.74 0.93 0.98 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 51 E 8.92 3.94 0.00 2.20 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 2.35 2.45 0.00 52 L 8.18 3.94 0.00 1.83 1.95 0.96 0.98 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 53 R 8.24 3.93 0.00 2.10 2.12 0.00 3.18 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 54 K 8.26 3.93 0.00 1.98 2.01 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.50 7.81 55 I 7.86 3.89 2.07 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 1.38 1.56 0.89 0.00 0.00 56 V 8.09 3.64 2.15 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 1.22 0.00 0.00 1.06 0.00 0.00 57 E 8.57 4.02 0.00 2.27 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 2.38 2.41 0.00 58 E 8.15 4.00 0.00 2.21 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 2.33 2.66 0.00 59 I 7.69 3.86 2.05 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 1.48 1.15 0.94 0.00 0.00 60 T 8.20 3.60 3.71 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 1.30 0.00 0.00 61 K 7.78 4.02 0.00 2.15 1.89 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.64 7.81 62 E 7.93 4.17 0.00 2.38 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 0.00 2.39 2.57 0.00 63 L 7.30 4.22 0.00 0.94 1.22 0.45 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 64 D 7.87 4.41 0.00 2.64 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 9.28 4.07 0.00 3.22 3.45 0.00 5.69 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.62 4.61 0.00 1.92 1.81 0.00 3.10 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 67 N 8.27 5.11 0.00 2.77 2.71 0.00 0.00 6.83 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 68 L 8.43 4.09 0.00 1.68 1.49 0.69 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 69 N 7.89 4.59 0.00 2.99 2.92 0.00 0.00 7.01 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 70 N 8.45 4.63 0.00 2.80 2.95 0.00 0.00 6.79 7.85 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 71 I 7.62 4.04 1.74 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.53 1.04 0.00 0.00 72 F 7.99 4.82 0.00 3.12 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 73 E 8.93 4.04 0.00 2.01 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 2.33 2.26 0.00 74 N 7.44 4.78 0.00 2.72 2.73 0.00 0.00 7.23 7.57 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 75 P 0.00 4.20 0.00 2.04 1.75 0.00 3.73 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 2.10 2.25 0.00 76 T 7.25 4.29 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 77 T 8.42 3.90 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 1.28 0.00 0.00 78 E 8.10 3.96 0.00 2.05 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 2.43 0.00 79 N 8.18 4.55 0.00 2.98 3.05 0.00 0.00 7.07 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 80 I 8.14 3.54 1.76 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.32 0.64 0.00 0.00 81 A 8.24 4.12 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.13 0.00 2.09 1.90 1.00 0.98 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 83 W 8.49 4.65 0.00 3.95 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 84 I 8.51 3.87 2.22 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.08 1.03 0.00 0.00 85 G 8.53 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 0.00 0.00 0.00 86 E 8.17 3.84 0.00 1.97 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 2.30 2.47 0.00 87 R 7.16 3.83 0.00 1.17 1.62 0.00 2.21 0.00 0.00 2.40 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.96 0.00 88 I 7.71 3.76 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.73 0.87 0.00 0.00 89 R 7.78 3.73 0.00 1.82 1.86 0.00 2.66 0.00 0.00 2.90 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.43 0.00 90 D 7.54 4.29 0.00 2.72 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 91 K 7.44 4.34 0.00 1.67 1.79 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.48 7.81 92 L 6.98 4.17 0.00 1.67 1.55 0.84 0.95 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 93 P 0.00 4.46 0.00 2.22 2.10 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 94 P 0.00 4.25 0.00 1.61 1.62 0.00 3.76 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 95 Y 8.11 3.86 0.00 3.18 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 96 V 7.38 4.76 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 0.80 0.00 0.00 0.98 0.00 0.00 97 K 8.74 4.65 0.00 1.68 1.81 0.00 1.34 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.37 7.81 98 L 8.36 4.18 0.00 1.40 1.14 0.98 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 0.00 0.00 0.00 0.00 99 K 9.17 4.58 0.00 2.01 2.03 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.52 7.81 100 R 7.84 5.35 0.00 2.00 1.81 0.00 3.21 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 101 V 9.13 4.96 2.36 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 0.96 0.00 0.00 1.21 0.00 0.00 102 V 9.16 4.79 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 0.77 0.00 0.00 1.00 0.00 0.00 103 L 8.87 5.28 0.00 1.83 1.50 1.09 0.89 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 0.00 104 W 9.75 5.15 0.00 3.54 3.40 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 0.00 105 E 9.60 4.13 0.00 2.12 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 2.18 1.74 0.00 106 G 8.25 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.54 4.34 0.00 1.62 1.69 0.00 0.90 0.00 0.00 0.88 0.00 0.00 2.37 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.03 1.07 7.81 108 D 7.98 4.97 0.00 2.82 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 0.00 109 N 8.78 5.02 0.00 2.91 2.80 0.00 0.00 6.65 7.60 0.00 0.00 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 G 8.32 3.79 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 0.00 0.00 0.00 111 V 8.53 4.40 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 0.94 0.00 0.00 0.87 0.00 0.00 112 E 8.63 4.94 0.00 1.81 1.66 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 0.00 2.08 2.24 0.00 113 L 8.96 4.48 0.00 1.19 0.59 1.02 0.42 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 0.00 114 E 8.06 4.91 0.00 1.81 1.61 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 2.16 2.46 0.00 115 W 9.16 4.44 0.00 3.48 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 * Residues marked with a * may have inaccurate shift predictions.