NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.7348 8.3027 117.3741 54.1080 30.1451 173.6052 1 M 3.8768 8.5504 116.6284 59.7299 31.7750 176.5214 2 A 4.0336 8.7645 121.7868 55.4197 19.0235 179.1195 3 T 3.8336 7.8506 113.8696 66.8055 68.4649 176.8044 4 I 3.7734 7.6596 121.6226 64.3997 36.9973 178.6670 5 R 3.9231 8.1162 118.9391 59.2376 29.7811 178.8324 6 N 4.3075 8.5227 116.6796 56.2200 38.5720 176.9829 7 L 3.9249 8.2919 122.0507 58.2541 42.0757 179.1684 8 K 3.9801 8.3498 118.5325 59.5964 31.8980 179.4174 9 I 3.7218 7.5839 119.8186 64.3861 37.0291 178.7414 10 K 4.0059 8.3456 119.5227 59.4929 31.7334 179.6816 11 T 3.8679 8.4486 116.8904 66.5979 68.3377 176.7655 12 S 4.1044 8.2266 116.2594 61.7415 62.8288 176.5498 13 T 3.8424 8.1994 119.5905 66.6021 68.1628 176.1905 14 C 4.1063 8.0198 118.3449 62.9175 28.2085 176.3534 15 K 3.9166 8.2452 120.1273 59.4648 31.5545 179.4269 16 R 3.8802 8.3685 119.3186 59.5525 30.0665 178.7184 17 I 4.0756 7.9473 121.0799 63.6790 36.9602 178.5698 18 V 3.5387 8.0509 119.5384 65.8328 31.2783 178.2727 19 K 3.9444 7.9647 118.1985 59.4581 31.4708 179.1431 20 E 3.7540 8.4946 119.2520 59.1692 29.3276 179.0750 21 L 4.1828 8.4488 120.5760 58.7840 42.1022 178.7807 22 H 4.4982 8.4664 116.3630 59.0399 28.5860 178.0543 23 S 4.0748 8.1502 117.0693 61.7757 62.6243 176.2935 24 Y 4.2810 8.0674 119.7426 61.1998 37.5139 178.5456 25 E 4.0335 8.6874 120.0061 59.2947 29.4739 179.3513 26 K 3.9473 8.4961 120.1392 59.2771 32.1679 178.5396 27 E 3.9124 8.3309 119.8056 59.1172 29.5952 178.8421 28 V 3.6549 7.9163 119.6568 65.4722 31.5208 177.5385 29 E 3.9683 8.4153 119.1007 59.4476 29.3917 179.0599 30 R 3.9248 8.3039 118.3132 59.3477 30.0886 178.9481 31 E 3.9730 8.6904 118.6451 59.1610 29.4301 179.2754 32 A 3.9700 8.6702 121.2179 55.0103 18.3778 179.5627 33 A 3.9601 8.3303 119.6799 55.0467 18.3420 179.7724 34 K 3.8664 8.2969 118.3396 59.8455 32.2511 179.0359 35 T 3.8305 8.1281 115.9127 66.7126 68.4408 176.2570 36 A 3.9994 8.0528 122.4033 55.3982 18.5273 179.4363 37 D 4.4522 8.3408 117.4476 57.8551 40.8581 178.9928 38 M 4.1351 8.4386 119.5725 58.0560 31.9129 179.0631 39 K 3.9677 8.2425 119.0318 59.5006 32.1858 178.9127 40 D 4.5540 8.0136 116.6397 54.9093 39.6391 177.1644 41 K 4.3217 7.7211 119.6793 55.7381 32.4907 176.0753 42 G 3.7911 8.0274 105.5165 46.9279 0.0000 174.1104 43 A 4.1007 8.1733 122.3963 51.8557 19.0793 178.9319 44 D 4.6791 8.4203 120.4720 52.4937 41.7833 175.8991 45 P 4.3258 0.0000 0.0000 65.6898 31.1517 178.5063 46 Y 3.9656 8.1122 117.9926 60.8843 38.9191 177.4263 47 D 4.4175 9.0027 120.1675 57.4130 40.8970 178.8573 48 L 3.9812 8.3733 119.8848 57.6315 41.5343 179.4965 49 K 3.8767 8.2948 119.9969 59.4223 32.1147 178.4296 50 Q 3.7840 8.1017 120.1728 59.4332 28.8151 178.3794 51 Q 4.0006 7.9902 120.3248 58.9839 28.9986 177.7884 52 E 3.9530 8.5259 120.2999 59.3191 29.3757 179.0217 53 N 4.3010 8.4563 116.9795 56.1245 38.4917 177.5633 54 V 3.5355 7.7315 119.6633 65.8897 31.6279 177.7374 55 L 4.0178 8.2383 120.4429 58.1637 41.7051 179.0440 56 G 3.6442 8.1189 104.6609 47.9587 0.0000 174.9201 57 E 4.0851 8.4555 122.2616 58.7485 29.1140 178.8181 58 S 4.1561 8.3483 114.7267 61.8018 62.9008 176.9092 59 R 3.9817 8.2018 121.5373 58.9406 29.5699 178.5949 60 M 4.2023 7.5794 116.6906 57.6270 32.3131 178.0896 61 M 3.8976 7.7327 118.8791 57.6077 31.9477 178.7712 62 I 3.5215 7.3862 120.3748 63.8852 37.2955 176.5142 63 P 4.2775 0.0000 0.0000 65.5769 31.1841 178.1193 64 D 4.2645 7.9202 116.3758 57.4239 41.1016 177.7208 65 C 4.1262 7.8356 118.9181 62.7705 31.5637 175.1291 66 H 4.2466 8.4851 118.2491 58.7760 28.2812 177.5623 67 K 3.8983 8.3969 121.6265 59.7355 32.0245 179.0455 68 R 3.9396 8.0529 118.2503 59.1119 29.9360 178.8457 69 L 3.9682 8.3006 120.5935 58.2308 42.0595 178.9056 70 E 4.0329 8.8615 118.9246 59.3666 29.3453 179.3064 71 S 4.0559 8.2964 113.0746 61.3341 62.3927 176.1302 72 A 4.0011 8.2272 123.6362 54.9602 18.0637 179.3504 73 L 3.8761 8.4754 119.1960 58.2350 42.0770 179.1172 74 A 4.0233 8.2612 120.9410 54.9656 18.3111 179.1222 75 D 4.2180 8.2545 116.6369 57.3800 41.2870 178.2281 76 L 3.9243 8.1818 121.0961 58.2314 42.1559 179.0838 77 K 3.9679 8.4510 118.8518 59.3854 31.9452 179.2263 78 S 4.0865 8.3144 113.6057 61.7505 62.3289 176.4592 79 T 3.8805 7.8620 118.2465 66.5434 68.1145 176.6164 80 L 3.9667 8.2844 121.0593 57.9076 41.4650 179.4423 81 A 3.9676 8.3133 119.6382 55.1827 18.4072 179.0055 82 E 4.0257 8.2704 117.8800 59.4101 29.8355 179.0576 83 L 4.1034 8.1432 121.5506 58.1522 41.4769 179.7813 84 E 4.1828 8.4687 120.1181 61.2437 29.6759 182.6070 85 E 4.3534 7.6660 116.7569 60.7861 30.1611 182.5168 86 T 4.8150 7.9835 116.2340 62.1806 67.5082 176.8578 *88 E 4.1523 8.7516 112.6497 55.5157 31.0728 176.1283 89 K 4.0308 8.2135 124.0774 55.8557 32.4792 179.1689 90 E 4.3036 8.7909 120.1190 54.6715 30.4520 174.1167 91 G 4.5073 8.1709 115.2118 42.3400 0.0000 171.0338 92 P 4.2334 0.0000 0.0000 65.7278 31.0782 178.4868 93 E 3.9917 8.0561 116.9972 59.3252 29.4784 179.1657 94 I 3.7077 7.6503 119.4664 64.0787 37.1582 177.6866 95 E 3.9007 8.3171 120.3622 59.5129 29.3662 178.5059 96 D 4.2791 8.4001 117.8607 57.2195 41.3079 177.9734 97 A 3.9756 8.2860 121.5671 55.2365 18.4176 179.8264 98 K 4.0746 8.5677 119.8426 60.0415 32.0454 180.4132 99 K 4.0241 8.4042 124.4062 60.1557 31.5840 181.5049 100 T 4.0838 8.1207 117.3382 66.2629 68.3097 176.9471 101 V 3.5444 8.3708 120.4012 66.0687 31.2831 177.9465 102 A 3.9722 7.7793 119.0639 55.2015 18.3895 178.8157 103 D 4.3982 8.2311 116.6637 57.4301 41.2450 178.5914 104 V 3.5977 8.4447 119.1133 66.1516 31.3613 177.8857 105 E 4.0835 8.3445 119.2579 59.3541 29.3397 179.4750 106 K 4.2181 7.5645 122.5494 58.3748 31.9416 181.9125 107 Q 4.4157 8.1055 121.5293 56.8970 28.7717 175.5911 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 H 8.30 4.73 0.00 2.85 3.04 0.00 7.17 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 1 M 8.55 3.88 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.73 0.00 2 A 8.76 4.03 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 3 T 7.85 3.83 4.38 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 1.21 0.00 0.00 4 I 7.66 3.77 2.03 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 1.52 0.83 0.91 0.00 0.00 5 R 8.12 3.92 0.00 2.00 1.98 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 6 N 8.52 4.31 0.00 2.94 2.87 0.00 0.00 6.63 6.49 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 7 L 8.29 3.92 0.00 1.83 1.90 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.35 3.98 0.00 2.01 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.67 7.81 9 I 7.58 3.72 2.00 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 1.52 0.87 0.91 0.00 0.00 10 K 8.35 4.01 0.00 1.90 1.86 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.59 7.81 11 T 8.45 3.87 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 1.25 0.00 0.00 12 S 8.23 4.10 0.00 4.04 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 0.00 13 T 8.20 3.84 4.41 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 1.21 0.00 0.00 14 C 8.02 4.11 0.00 3.15 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 15 K 8.25 3.92 0.00 1.94 1.86 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.63 7.81 16 R 8.37 3.88 0.00 1.84 2.03 0.00 3.28 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 1.63 1.65 0.00 17 I 7.95 4.08 1.88 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 1.41 1.01 0.97 0.00 0.00 18 V 8.05 3.54 2.20 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 0.95 0.00 0.00 0.98 0.00 0.00 19 K 7.96 3.94 0.00 2.02 1.81 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.63 7.81 20 E 8.49 3.75 0.00 2.15 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 2.24 2.42 0.00 21 L 8.45 4.18 0.00 1.80 1.87 0.94 1.14 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 22 H 8.47 4.50 0.00 3.33 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.15 4.07 0.00 3.74 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 0.00 24 Y 8.07 4.28 0.00 3.16 2.90 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 25 E 8.69 4.03 0.00 2.19 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 0.00 2.38 2.57 0.00 26 K 8.50 3.95 0.00 1.96 1.93 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.49 7.81 27 E 8.33 3.91 0.00 2.17 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 0.00 2.37 2.40 0.00 28 V 7.92 3.65 2.29 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 0.98 0.00 0.00 0.98 0.00 0.00 29 E 8.42 3.97 0.00 2.17 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 2.31 2.51 0.00 30 R 8.30 3.92 0.00 2.10 1.96 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 31 E 8.69 3.97 0.00 2.07 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 2.59 2.48 0.00 32 A 8.67 3.97 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 33 A 8.33 3.96 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 34 K 8.30 3.87 0.00 1.91 2.11 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 35 T 8.13 3.83 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 1.21 0.00 0.00 36 A 8.05 4.00 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 37 D 8.34 4.45 0.00 3.01 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 38 M 8.44 4.14 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.59 0.00 39 K 8.24 3.97 0.00 1.96 1.85 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.60 7.81 40 D 8.01 4.55 0.00 2.82 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 41 K 7.72 4.32 0.00 1.91 1.90 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.45 7.81 42 G 8.03 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 43 A 8.17 4.10 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 44 D 8.42 4.68 0.00 2.99 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 45 P 0.00 4.33 0.00 2.23 2.17 0.00 3.64 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 2.14 2.17 0.00 46 Y 8.11 3.97 0.00 3.08 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 47 D 9.00 4.42 0.00 2.92 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.37 3.98 0.00 1.90 1.71 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.29 3.88 0.00 1.87 1.84 0.00 1.49 0.00 0.00 1.54 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.39 7.81 50 Q 8.10 3.78 0.00 1.83 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 51 Q 7.99 4.00 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 52 E 8.53 3.95 0.00 2.13 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 2.32 2.48 0.00 53 N 8.46 4.30 0.00 2.85 2.82 0.00 0.00 6.62 8.13 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 54 V 7.73 3.54 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 1.15 0.00 0.00 0.94 0.00 0.00 55 L 8.24 4.02 0.00 1.77 1.82 0.94 1.22 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 56 G 8.12 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.46 4.09 0.00 2.07 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 2.29 2.34 0.00 58 S 8.35 4.16 0.00 4.11 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 0.00 59 R 8.20 3.98 0.00 2.03 2.00 0.00 3.11 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 60 M 7.58 4.20 0.00 1.97 2.34 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.92 0.00 61 M 7.73 3.90 0.00 0.71 1.79 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.86 0.00 62 I 7.39 3.52 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 1.50 0.47 0.73 0.00 0.00 63 P 0.00 4.28 0.00 2.11 2.09 0.00 3.69 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 2.08 2.12 0.00 64 D 7.92 4.26 0.00 2.69 2.53 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 65 C 7.84 4.13 0.00 3.07 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 66 H 8.49 4.25 0.00 3.38 3.31 0.00 5.70 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.40 3.90 0.00 1.80 2.02 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 68 R 8.05 3.94 0.00 2.09 1.98 0.00 3.20 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 69 L 8.30 3.97 0.00 1.84 1.87 0.93 0.87 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 70 E 8.86 4.03 0.00 2.17 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 2.32 2.49 0.00 71 S 8.30 4.06 0.00 4.00 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 72 A 8.23 4.00 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 73 L 8.48 3.88 0.00 1.80 1.88 0.92 1.17 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 74 A 8.26 4.02 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 75 D 8.25 4.22 0.00 2.97 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 76 L 8.18 3.92 0.00 1.85 1.82 0.95 0.80 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 77 K 8.45 3.97 0.00 1.87 1.84 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.57 7.81 78 S 8.31 4.09 0.00 3.91 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 79 T 7.86 3.88 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 1.21 0.00 0.00 80 L 8.28 3.97 0.00 1.84 1.72 0.92 0.69 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 81 A 8.31 3.97 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 82 E 8.27 4.03 0.00 2.17 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 0.00 2.30 2.35 0.00 83 L 8.14 4.10 0.00 1.90 1.70 0.92 0.78 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 84 E 8.47 4.18 0.00 2.06 1.87 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 2.26 2.19 0.00 85 E 7.67 4.35 0.00 2.02 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 2.26 2.19 0.00 86 T 7.98 4.82 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 *88 E 8.75 4.15 0.00 2.04 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 0.00 2.13 1.88 0.00 89 K 8.21 4.03 0.00 1.77 1.64 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.01 7.81 90 E 8.79 4.30 0.00 1.98 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 0.00 2.22 1.87 0.00 91 G 8.17 4.51 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 0.00 92 P 0.00 4.23 0.00 2.17 2.12 0.00 3.59 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 2.11 2.18 0.00 93 E 8.06 3.99 0.00 1.98 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 2.40 2.34 0.00 94 I 7.65 3.71 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 1.52 0.71 0.91 0.00 0.00 95 E 8.32 3.90 0.00 2.09 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 0.00 2.31 2.33 0.00 96 D 8.40 4.28 0.00 2.96 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 97 A 8.29 3.98 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 98 K 8.57 4.07 0.00 1.99 1.87 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.57 7.81 99 K 8.40 4.02 0.00 1.74 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.36 7.81 100 T 8.12 4.08 4.39 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 1.21 0.00 0.00 101 V 8.37 3.54 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 1.01 0.00 0.00 0.95 0.00 0.00 102 A 7.78 3.97 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 0.00 103 D 8.23 4.40 0.00 2.91 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 0.00 104 V 8.44 3.60 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 1.07 0.00 0.00 1.00 0.00 0.00 105 E 8.34 4.08 0.00 1.98 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 2.34 2.53 0.00 106 K 7.56 4.22 0.00 1.80 1.72 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.35 7.81 107 Q 8.11 4.42 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.52 0.00 0.00 0.00 0.00 0.00 2.63 2.45 0.00 * Residues marked with a * may have inaccurate shift predictions.