NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1087 8.0549 120.4053 62.4406 32.3068 174.9618 3 E 4.1487 8.7862 127.8531 54.9489 29.8291 175.3200 4 T 5.2339 8.3466 110.6619 61.3537 71.2785 175.4496 5 S 4.2136 8.2991 118.3471 61.1715 63.2647 175.1179 6 K 4.1019 7.8499 117.7483 57.3838 32.9407 176.6286 7 F 4.7327 7.5116 118.8358 56.5720 39.8824 174.7337 8 K 4.7794 8.3751 121.1371 55.9408 35.6033 174.1234 9 F 4.9553 8.7512 120.7118 56.6193 41.0636 173.6003 10 K 4.2692 7.0967 124.6929 56.8145 33.7839 175.6332 11 C 4.0033 6.8305 111.8432 57.9014 33.3208 172.4243 12 Y 4.4646 8.1848 118.0294 56.3610 37.3201 176.0465 13 G 3.7831 8.5092 112.9241 45.3048 0.0000 169.8377 14 D 5.1784 8.4046 117.5686 53.1213 40.1794 176.4547 15 F 5.0909 7.2447 112.6270 56.0862 41.5770 173.4576 16 W 4.8434 9.7389 121.6456 55.6838 31.3762 174.9622 17 L 5.6308 8.9283 123.6996 53.5106 45.2863 175.3773 18 S 5.0855 8.9164 118.1908 56.7477 66.6825 172.9208 19 V 4.8594 8.2284 123.6505 61.8585 32.7465 174.1138 20 N 4.6253 9.1740 122.3456 51.8385 40.6788 174.7212 21 R 4.1929 9.1159 121.6807 56.5717 31.1116 177.3079 22 I 4.4857 8.4396 123.6167 60.5495 34.9409 174.9182 23 Y 4.6636 8.0172 121.7118 54.9661 42.2608 175.0792 24 P 3.6479 0.0000 0.0000 65.5977 31.6364 178.6165 25 E 4.1258 8.1340 114.8501 58.3278 29.5991 178.1524 26 K 4.3015 8.1005 117.9651 56.3163 32.8717 176.5672 27 R 4.0892 8.1502 117.8511 57.0875 28.3087 178.4776 28 I 3.8591 7.5641 120.7212 64.6354 37.2687 177.5063 29 E 4.0222 8.4743 118.9912 59.4461 29.3596 178.9842 30 L 3.9740 7.8381 119.7633 58.4077 42.2775 179.0165 31 Q 4.1274 8.1810 117.3696 59.0500 28.6677 178.7681 32 L 4.1048 8.0891 119.9074 57.9941 41.7226 179.4287 33 E 4.0211 8.3259 118.4984 59.2194 29.3446 179.6619 34 V 3.4856 7.7519 118.0968 66.1113 31.5059 177.9955 35 F 4.0925 8.0506 114.5809 59.2678 38.8885 177.5201 36 K 4.2007 7.9119 118.0749 58.7235 31.8534 178.7218 37 K 4.2467 7.3828 117.3227 57.8314 34.1132 178.4259 38 L 4.3396 7.4964 121.3047 53.3295 38.1854 177.6160 39 Q 4.1932 7.8759 118.3436 57.8741 29.4175 177.2305 40 D 4.7056 7.9988 115.8577 53.2622 40.0610 175.4827 41 E 4.9675 8.0225 119.0859 54.7323 32.6009 175.0076 42 K 5.1033 8.7134 117.8441 54.7611 36.7059 175.2398 43 L 4.9811 8.6501 125.1131 53.3698 45.3583 174.4605 44 Y 5.1847 9.2433 124.2569 56.4778 40.4400 174.5605 45 I 4.7934 8.7473 126.3351 59.6824 39.5367 174.8324 46 V 4.4310 10.1857 128.5119 60.4815 32.7532 174.3331 47 G 4.8332 7.5091 118.0713 44.6937 0.0000 171.2097 48 W 5.7585 8.2365 133.3538 56.2450 32.2326 173.3386 49 F 5.1891 7.3718 111.0095 55.6432 40.5083 173.5915 50 S 4.4840 8.6908 115.8389 56.5752 62.0790 173.3326 51 K 4.3085 8.5098 129.5755 58.2145 32.3153 176.7874 52 G 4.0538 9.0649 114.1572 45.4861 0.0000 173.4873 53 D 4.7688 7.8695 119.5268 53.4629 42.3413 176.8934 54 H 4.0972 8.8682 120.0654 59.4722 29.6519 177.2533 55 A 3.8376 8.0069 121.7263 54.3624 17.9487 178.7899 56 E 2.7186 7.8316 118.3825 58.8896 29.5496 178.8888 57 R 3.6259 7.4833 118.2133 59.4804 30.1169 177.8826 58 Y 3.8405 7.6287 118.4987 60.4113 38.5969 177.5721 59 A 3.4206 7.3575 120.6108 55.1810 18.4369 179.6046 60 R 3.6318 7.2354 115.2488 58.8460 30.2852 178.9715 61 K 3.9611 7.6289 119.5322 59.3209 32.0899 179.8207 62 I 3.2590 7.0508 118.0422 61.7097 36.9253 177.9142 *64 K 4.2302 8.0520 121.3633 56.6022 34.1379 176.5455 65 I 4.0074 7.5677 110.5304 61.2469 38.2142 176.0348 66 A 4.2195 7.5689 125.0230 51.2702 18.8642 175.5936 67 P 4.6073 0.0000 0.0000 62.0558 32.3478 176.9761 68 D 4.4165 8.5809 118.0161 56.8510 41.3726 176.2607 69 N 4.7946 8.2360 115.4575 52.7471 37.6011 173.6375 70 V 4.5940 7.4542 118.9604 61.2730 33.6864 174.8204 71 K 4.4728 8.9546 127.4586 54.5909 34.8501 175.2381 72 F 4.8923 8.7773 123.9899 56.2189 38.9131 175.6714 73 L 3.8478 8.8896 125.6413 55.5137 42.2388 179.3342 74 G 3.6011 8.2942 106.3824 45.2015 0.0000 171.7354 75 S 4.6173 8.1537 116.7490 58.1437 63.5691 173.8972 76 V 4.4127 8.0596 117.7051 59.0067 34.7602 175.7867 77 S 4.5161 8.4981 116.9145 57.6526 65.2407 174.9509 78 E 3.9446 8.5801 122.0947 59.3565 29.3110 178.4582 79 E 3.9574 8.1553 118.2259 59.4932 29.5574 179.0718 80 E 3.9264 7.9115 118.5506 59.1957 29.4650 179.0392 81 L 3.8304 8.0846 120.4239 58.3115 42.1629 178.9055 82 I 4.1007 8.1930 120.0511 64.7098 36.9523 177.9066 83 D 4.4493 8.0712 119.9466 56.7616 41.0658 178.2102 84 L 4.1888 8.4173 119.8838 58.1803 41.1666 179.0361 85 Y 4.3933 8.3598 117.2187 61.3078 37.7568 179.0260 86 S 4.4655 8.5864 115.9594 59.8915 63.0678 175.5237 87 R 4.5903 7.8832 119.2394 54.8905 31.6285 175.7122 88 C 2.9744 7.4647 112.9262 57.0300 30.2278 173.7712 89 K 3.7350 7.8530 122.4265 58.3667 31.9997 176.6367 90 G 3.6765 6.2004 104.2089 45.8856 0.0000 171.4373 91 L 5.5279 8.2481 121.9014 53.1643 44.5414 174.6304 92 L 5.2922 9.1090 128.0343 53.5335 44.2944 175.1493 93 C 4.8928 8.9525 123.9191 58.1272 31.0192 174.6027 94 T 4.5482 8.5789 110.4475 60.5996 69.9301 173.9944 95 A 4.4916 8.2523 125.1882 52.6253 18.9135 177.4219 96 K 4.5736 8.7091 117.8755 56.6396 33.6418 176.5488 97 D 4.7374 8.0994 118.2129 53.0395 39.7070 175.6448 98 E 4.3306 7.7976 120.1813 55.6425 29.8221 176.0085 99 D 4.3191 7.9234 123.1263 54.2664 41.5896 177.5454 100 F 4.5681 7.5347 116.7573 56.7307 40.5054 175.8917 101 G 3.8399 7.9720 108.0782 46.9207 0.0000 175.8973 102 L 3.9884 8.2050 121.7869 57.6221 41.6979 178.9304 103 T 4.1085 7.9081 110.6078 63.9650 68.5930 174.6740 104 P 4.2352 0.0000 0.0000 65.1002 31.4653 178.2916 105 I 3.7311 7.2120 117.2830 64.4496 36.8083 178.0364 106 E 2.9885 7.7758 119.0645 58.6002 29.0281 179.6982 107 A 3.5801 7.2925 118.0005 52.4478 18.0702 178.9135 *109 A 4.3891 7.9801 124.6903 53.5847 20.4114 178.6396 110 S 4.8127 7.5270 109.1015 58.3422 63.0681 175.0189 111 G 2.9789 7.8499 107.8828 45.2650 0.0000 173.2281 112 K 4.8634 7.5583 118.4307 53.6593 33.9909 174.9149 113 P 4.7657 0.0000 0.0000 62.8649 33.2180 175.0243 114 V 5.0008 8.5225 120.7398 61.3064 34.7359 174.0760 115 I 5.0571 9.1688 128.7923 59.7218 39.2274 174.5828 116 A 5.0058 8.8110 127.8042 49.9907 23.0192 175.6096 117 V 4.0314 7.9744 113.2529 61.0245 32.2160 177.2444 118 N 4.8683 8.9522 124.5399 52.6196 36.0314 173.5925 119 E 4.7343 8.1374 120.5453 55.1398 35.1246 177.2139 120 G 3.5582 8.4937 109.6037 46.1951 0.0000 176.8490 121 G 3.5122 8.4250 108.7497 46.8825 0.0000 175.1225 122 F 4.4982 7.2295 120.0702 60.6578 38.8950 177.4084 123 K 4.0015 7.7795 117.4694 59.1710 32.0577 177.9208 124 E 4.3468 7.6351 115.8700 57.2696 29.6786 176.8410 125 T 4.4138 7.1767 106.4881 62.8150 70.6222 175.1738 126 V 3.6936 7.8931 121.5292 62.0026 32.2246 175.1387 127 I 4.2217 8.2044 127.9139 59.0752 37.7603 174.7774 128 N 4.1750 8.6612 124.1048 55.3659 38.9052 174.2836 129 E 3.6511 8.8940 123.4807 56.7922 27.8926 175.0280 130 K 3.8625 7.5720 117.9426 57.0105 34.9716 177.2764 131 T 4.3305 8.0446 105.3786 59.3493 70.3572 173.8899 132 G 3.8370 5.6073 109.0934 45.8678 0.0000 171.2672 133 Y 5.2573 8.3262 118.7469 56.3627 42.6825 174.4038 134 L 5.2818 9.2418 123.5727 53.3756 43.7985 176.1842 135 V 4.6204 8.7261 116.2851 59.7171 36.5824 174.4077 136 N 4.9189 8.8826 118.7859 52.3273 39.8232 177.2533 137 A 4.3197 8.4164 124.0416 52.0654 16.2933 175.6320 138 D 4.6396 7.8738 118.5792 51.1449 45.2128 174.5757 139 V 3.5249 8.5782 126.6059 66.4410 31.5178 177.5251 140 N 4.2524 8.1493 115.8939 56.6997 38.9630 176.4780 141 E 3.9189 8.6175 120.0890 59.3745 29.2934 179.4573 142 I 3.6147 7.5395 118.8569 64.3730 37.2417 178.2011 143 I 3.5968 7.3689 119.3805 64.3877 37.0508 177.8682 144 D 4.4337 8.1259 119.4724 57.0833 40.5557 179.3128 145 A 3.7465 7.5146 118.5729 52.4816 17.7875 179.3035 *147 K 4.2426 8.0710 122.5423 58.0208 34.4211 178.7699 148 K 3.8387 7.8417 118.4129 59.4447 32.0397 179.4517 149 V 3.6587 7.8056 118.0792 66.2940 31.2625 178.0961 150 S 4.2084 7.5875 113.4278 61.7300 62.7175 176.6430 151 K 4.3142 7.6510 120.1485 58.0732 33.0238 177.2466 152 N 4.8283 7.8240 117.3619 50.9368 39.8281 172.3709 153 P 3.8713 0.0000 0.0000 64.9370 31.6577 177.8864 154 D 4.3491 7.1826 116.1125 51.5692 39.6110 177.7354 155 K 3.5759 7.2065 123.5952 59.3876 32.1625 177.5528 156 F 5.1657 7.4787 114.5179 57.0851 39.4003 176.6922 157 K 3.6961 7.4167 122.1862 60.4244 31.6807 178.5789 158 K 4.1514 7.9594 117.4380 59.7660 32.0911 179.0782 159 D 4.4187 8.0838 118.6194 57.3869 40.7722 178.5050 160 C 4.0799 8.4594 117.7437 62.7986 27.9254 175.9303 161 F 4.4582 7.6056 118.0637 60.7119 38.9039 177.4906 162 R 4.0781 8.1653 118.1222 59.5217 30.0145 178.3919 163 R 3.9192 8.3115 118.5260 59.5806 29.8122 178.2521 164 A 4.2048 7.9784 119.4071 55.1017 18.3965 179.4590 165 K 4.2024 8.0775 116.5550 58.9589 31.8636 178.4030 166 E 4.2970 7.7992 116.6645 56.5910 29.4024 176.7997 167 F 4.4383 7.7005 122.6297 57.6958 39.8803 174.5949 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 V 8.05 4.11 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 1.04 0.00 0.00 0.97 0.00 0.00 3 E 8.79 4.15 0.00 2.17 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 2.36 2.34 0.00 4 T 8.35 5.23 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 1.33 0.00 0.00 5 S 8.30 4.21 0.00 4.01 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 6 K 7.85 4.10 0.00 1.65 1.81 0.00 1.46 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.47 0.82 7.81 7 F 7.51 4.73 0.00 3.12 3.07 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 8 K 8.38 4.78 0.00 1.94 1.95 0.00 1.51 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.41 7.81 9 F 8.75 4.96 0.00 3.39 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 10 K 7.10 4.27 0.00 1.53 1.56 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.23 1.29 7.81 11 C 6.83 4.00 0.00 2.83 2.77 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 12 Y 8.18 4.46 0.00 3.00 2.83 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 13 G 8.51 3.78 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 0.00 0.00 0.00 14 D 8.40 5.18 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 15 F 7.24 5.09 0.00 2.26 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 W 9.74 4.84 0.00 3.66 3.38 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 0.00 17 L 8.93 5.63 0.00 1.96 1.60 1.08 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.92 5.09 0.00 4.11 3.96 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 19 V 8.23 4.86 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 0.95 0.00 0.00 0.89 0.00 0.00 20 N 9.17 4.63 0.00 2.95 2.99 0.00 0.00 6.70 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 21 R 9.12 4.19 0.00 1.81 2.33 0.00 3.39 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.30 0.00 22 I 8.44 4.49 1.84 0.00 0.00 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 1.48 0.84 0.82 0.00 0.00 23 Y 8.02 4.66 0.00 2.96 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 24 P 0.00 3.65 0.00 1.93 1.72 0.00 3.45 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.56 0.00 25 E 8.13 4.13 0.00 2.13 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 0.00 2.42 2.63 0.00 26 K 8.10 4.30 0.00 2.07 2.05 0.00 2.01 0.00 0.00 1.93 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.99 7.81 27 R 8.15 4.09 0.00 2.23 2.05 0.00 3.58 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 28 I 7.56 3.86 2.04 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.21 1.09 0.00 0.00 29 E 8.47 4.02 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 2.49 2.51 0.00 30 L 7.84 3.97 0.00 1.77 1.92 0.95 1.14 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 31 Q 8.18 4.13 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.68 0.00 0.00 0.00 0.00 0.00 2.52 2.69 0.00 32 L 8.09 4.10 0.00 2.01 1.78 1.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.33 4.02 0.00 2.18 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 2.58 2.48 0.00 34 V 7.75 3.49 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 0.47 0.00 0.00 0.92 0.00 0.00 35 F 8.05 4.09 0.00 3.12 3.16 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 36 K 7.91 4.20 0.00 1.96 1.89 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.76 7.81 37 K 7.38 4.25 0.00 1.91 1.79 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.63 7.81 38 L 7.50 4.34 0.00 1.29 1.41 0.46 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 7.88 4.19 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 40 D 8.00 4.71 0.00 2.80 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 E 8.02 4.97 0.00 2.13 2.26 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 2.25 2.31 0.00 42 K 8.71 5.10 0.00 1.88 1.78 0.00 1.97 0.00 0.00 1.88 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.55 7.81 43 L 8.65 4.98 0.00 0.27 0.43 0.94 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 9.24 5.18 0.00 2.87 2.64 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 45 I 8.75 4.79 1.69 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.38 1.06 0.00 0.00 46 V 10.19 4.43 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 1.04 0.00 0.00 0.92 0.00 0.00 47 G 7.51 4.83 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 48 W 8.24 5.76 0.00 3.31 2.81 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 49 F 7.37 5.19 0.00 2.85 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 50 S 8.69 4.48 0.00 4.04 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 51 K 8.51 4.31 0.00 1.79 1.76 0.00 1.89 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.55 7.81 52 G 9.06 4.05 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 0.00 0.00 0.00 53 D 7.87 4.77 0.00 3.18 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 54 H 8.87 4.10 0.00 3.18 3.31 0.00 5.68 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 8.01 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.83 2.72 0.00 1.94 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 2.09 1.84 0.00 57 R 7.48 3.63 0.00 1.79 1.71 0.00 3.09 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 58 Y 7.63 3.84 0.00 2.94 2.85 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 59 A 7.36 3.42 0.25 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 0.00 0.00 60 R 7.24 3.63 0.00 1.49 1.79 0.00 2.95 0.00 0.00 3.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.25 0.00 61 K 7.63 3.96 0.00 1.76 1.68 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.37 7.81 62 I 7.05 3.26 1.60 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.60 0.96 0.00 0.00 *64 K 8.05 4.23 0.00 1.84 1.90 0.00 1.51 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.33 7.81 65 I 7.57 4.01 1.87 0.00 0.00 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 1.43 0.64 0.87 0.00 0.00 66 A 7.57 4.22 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 67 P 0.00 4.61 0.00 2.49 2.27 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.06 0.00 68 D 8.58 4.42 0.00 2.70 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 69 N 8.24 4.79 0.00 3.21 3.12 0.00 0.00 5.72 7.68 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 70 V 7.45 4.59 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 0.24 0.00 0.00 0.79 0.00 0.00 71 K 8.95 4.47 0.00 1.35 1.33 0.00 0.98 0.00 0.00 1.16 0.00 0.00 2.74 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.22 1.30 7.81 72 F 8.78 4.89 0.00 3.10 3.33 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 73 L 8.89 3.85 0.00 1.58 1.61 0.80 0.48 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 74 G 8.29 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.15 4.62 0.00 3.79 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 76 V 8.06 4.41 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 0.80 0.00 0.00 0.92 0.00 0.00 77 S 8.50 4.52 0.00 4.18 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 78 E 8.58 3.94 0.00 2.07 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 2.33 2.43 0.00 79 E 8.16 3.96 0.00 2.08 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 2.39 2.45 0.00 80 E 7.91 3.93 0.00 2.14 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 2.29 2.29 0.00 81 L 8.08 3.83 0.00 1.76 1.92 0.56 1.26 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 82 I 8.19 4.10 2.04 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.57 1.00 0.00 0.00 83 D 8.07 4.45 0.00 2.89 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 84 L 8.42 4.19 0.00 1.80 1.79 0.89 0.85 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 85 Y 8.36 4.39 0.00 3.35 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 S 8.59 4.47 0.00 4.10 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 0.00 87 R 7.88 4.59 0.00 2.03 2.03 0.00 3.20 0.00 0.00 3.32 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 88 C 7.46 2.97 0.00 2.73 2.82 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 89 K 7.85 3.74 0.00 1.34 0.74 0.00 1.50 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.77 1.08 7.81 90 G 6.20 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 0.00 0.00 0.00 91 L 8.25 5.53 0.00 1.95 1.63 1.18 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 92 L 9.11 5.29 0.00 1.72 1.66 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.95 4.89 0.00 1.77 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 94 T 8.58 4.55 4.29 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 1.21 0.00 0.00 95 A 8.25 4.49 1.49 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 96 K 8.71 4.57 0.00 1.86 1.93 0.00 1.59 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.66 1.34 7.81 97 D 8.10 4.74 0.00 2.73 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 98 E 7.80 4.33 0.00 1.74 1.62 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 2.33 2.32 0.00 99 D 7.92 4.32 0.00 1.59 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 0.00 0.00 0.00 0.00 100 F 7.53 4.57 0.00 3.02 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 0.00 101 G 7.97 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 0.00 0.00 0.00 102 L 8.21 3.99 0.00 1.76 1.80 0.94 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 0.00 103 T 7.91 4.11 4.45 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 1.46 0.00 0.00 104 P 0.00 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0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 114 V 8.52 5.00 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 1.05 0.00 0.00 0.99 0.00 0.00 115 I 9.17 5.06 1.91 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 1.45 0.90 0.89 0.00 0.00 116 A 8.81 5.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 V 7.97 4.03 2.16 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 0.71 0.00 0.00 1.15 0.00 0.00 118 N 8.95 4.87 0.00 2.83 2.79 0.00 0.00 6.95 8.01 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 0.00 119 E 8.14 4.73 0.00 2.11 1.76 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 2.32 2.36 0.00 120 G 8.49 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.42 3.51 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 2.60 2.47 0.00 130 K 7.57 3.86 0.00 1.52 1.58 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.20 1.37 7.81 131 T 8.04 4.33 4.13 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 1.14 0.00 0.00 132 G 5.61 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 0.00 0.00 0.00 133 Y 8.33 5.26 0.00 2.91 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 0.00 134 L 9.24 5.28 0.00 1.54 1.63 1.02 1.27 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 0.00 135 V 8.73 4.62 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 0.79 0.00 0.00 0.92 0.00 0.00 136 N 8.88 4.92 0.00 2.79 2.75 0.00 0.00 6.99 7.21 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 0.00 137 A 8.42 4.32 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 D 7.87 4.64 0.00 2.65 2.44 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 0.00 139 V 8.58 3.52 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 0.92 0.00 0.00 0.92 0.00 0.00 140 N 8.15 4.25 0.00 2.83 2.83 0.00 0.00 7.13 7.65 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 0.00 141 E 8.62 3.92 0.00 2.16 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 2.30 2.45 0.00 142 I 7.54 3.61 1.89 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 1.46 0.58 0.72 0.00 0.00 143 I 7.37 3.60 1.87 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.41 0.77 0.00 0.00 144 D 8.13 4.43 0.00 2.76 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.51 3.75 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 *147 K 8.07 4.24 0.00 1.95 1.87 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.55 7.81 148 K 7.84 3.84 0.00 1.80 1.89 0.00 0.62 0.00 0.00 1.26 0.00 0.00 2.79 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.44 7.81 149 V 7.81 3.66 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 1.02 0.00 0.00 1.44 0.00 0.00 150 S 7.59 4.21 0.00 3.93 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 0.00 151 K 7.65 4.31 0.00 1.83 1.83 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.56 7.81 152 N 7.82 4.83 0.00 2.59 2.44 0.00 0.00 6.82 7.03 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 0.00 153 P 0.00 3.87 0.00 1.33 1.88 0.00 3.63 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 154 D 7.18 4.35 0.00 2.77 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 K 7.21 3.58 0.00 1.52 1.05 0.00 1.43 0.00 0.00 0.81 0.00 0.00 3.05 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.55 1.09 7.81 156 F 7.48 5.17 0.00 3.06 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 0.00 157 K 7.42 3.70 0.00 1.82 1.73 0.00 1.41 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.08 7.81 158 K 7.96 4.15 0.00 1.88 1.92 0.00 1.76 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.63 1.59 7.81 159 D 8.08 4.42 0.00 3.00 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 0.00 160 C 8.46 4.08 0.00 2.84 2.82 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 0.00 161 F 7.61 4.46 0.00 3.23 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 0.00 162 R 8.17 4.08 0.00 1.95 2.11 0.00 3.11 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.66 0.00 163 R 8.31 3.92 0.00 2.06 2.09 0.00 3.43 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.89 0.00 164 A 7.98 4.20 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 0.00 165 K 8.08 4.20 0.00 2.01 1.89 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.79 7.81 166 E 7.80 4.30 0.00 1.86 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 2.21 2.20 0.00 167 F 7.70 4.44 0.00 3.07 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 * Residues marked with a * may have inaccurate shift predictions.