NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 K 4.1320 8.2993 121.7882 56.3732 33.4792 174.6856 *15 E 4.2376 8.3636 112.8734 56.4807 30.4212 175.5104 16 R 4.5455 7.9680 110.4386 57.0734 30.4346 176.3029 17 F 4.0483 8.4016 114.2084 57.7844 38.1513 174.2715 *21 A 4.0151 8.5252 127.1900 51.8546 19.6794 175.7830 22 N 4.9889 7.9443 117.0286 51.9107 39.8867 174.9076 23 E 3.9825 8.6083 115.6369 59.2483 29.8940 178.7231 24 E 3.9129 8.2564 119.0342 59.7461 29.6435 178.6385 25 E 4.1387 8.7077 118.2015 59.4668 29.2783 179.0889 26 K 3.9792 7.4512 117.5792 59.8440 32.4522 178.4616 27 D 4.5303 8.3922 118.3587 58.3808 40.9959 178.5173 28 V 3.3945 7.8478 116.7962 66.8053 31.4120 177.2198 29 L 4.1901 8.5790 120.7826 58.2712 42.0569 179.6926 30 S 4.1608 8.1229 113.0900 61.3725 62.3075 176.1403 31 S 4.1619 8.6052 118.3142 61.1803 62.6388 176.2325 32 I 3.6066 7.8000 122.2345 64.8342 36.8605 178.2883 33 V 3.6479 7.7292 118.2448 65.7877 31.2042 177.7665 34 D 4.5458 8.2455 118.1551 56.7989 40.9198 178.2968 35 G 3.7831 8.4749 106.3459 46.7707 0.0000 176.0936 36 L 4.0480 8.0457 121.2503 57.3136 41.8151 178.3520 37 L 4.5179 7.9201 116.2776 54.6389 41.6489 176.9055 38 A 4.7049 7.9068 121.0761 51.9959 20.4504 178.9081 39 K 4.3152 7.9086 117.6797 58.1486 33.0706 178.6850 40 Q 4.0262 8.1610 115.0295 59.0071 28.5365 176.4013 41 E 4.2020 8.3337 117.2156 55.5275 29.9356 176.5114 42 R 3.7323 7.9535 115.1979 57.8180 27.8009 176.4446 43 R 4.4776 7.9507 113.5093 55.8596 32.3001 176.3397 44 Y 4.7094 7.6517 115.0914 55.7195 40.6689 174.7214 45 A 3.9736 8.8020 128.9120 54.5520 17.7456 178.1235 46 T 4.3688 7.3570 102.8925 59.7290 71.6541 175.0195 47 Y 4.5636 7.9839 117.9435 61.1602 37.7819 178.3125 48 L 3.9686 7.9379 119.3809 57.6099 41.7162 178.9928 49 A 4.1486 7.9905 119.5646 53.9173 18.4390 178.4668 50 S 2.8511 7.0666 109.0142 59.7386 64.1036 176.0685 51 L 3.8799 8.3964 124.7388 56.5630 42.1243 177.3371 52 T 4.4378 7.7904 109.0419 63.3113 69.0726 174.1390 53 Q 3.2740 8.5826 119.3056 57.4939 28.1780 173.0854 54 I 3.8655 7.2548 118.5184 61.3774 37.4391 177.3152 55 E 4.2737 8.5842 130.4590 55.8512 27.9065 179.4930 56 S 4.2535 7.9521 113.1044 59.5701 61.8495 172.8231 57 Q 4.9640 8.1180 130.7471 55.9722 31.2713 173.5962 *65 E 4.1620 7.5138 118.2899 57.2484 31.7180 174.3131 66 V 4.7124 8.0169 122.5699 61.4126 34.5437 174.8893 67 R 4.9289 8.5813 126.7060 55.1040 32.9557 175.5209 68 L 5.0184 8.7395 122.6907 52.5804 45.2069 173.7247 69 P 4.7298 0.0000 0.0000 62.9606 31.9054 176.4496 70 I 4.0513 8.9014 127.4293 60.8238 36.8852 175.7524 71 G 4.2855 8.4348 115.6281 42.3285 0.0000 170.4256 72 P 4.1318 0.0000 0.0000 64.9467 31.1924 177.4914 73 L 4.1268 7.9477 120.2161 57.3258 42.4206 177.2782 74 V 4.4768 8.4442 112.6808 61.1930 32.1661 174.7756 75 N 5.2863 8.0323 115.9779 51.3173 41.4871 174.6026 76 N 4.8304 8.3131 119.0937 51.0502 39.2820 173.9291 77 P 4.2901 0.0000 0.0000 65.2585 31.3179 176.9335 78 L 4.4238 7.8945 117.5685 54.8209 42.0331 176.7344 79 N 3.9386 7.4161 113.6572 54.0634 35.9699 173.5901 *81 V 4.0890 7.3347 115.5502 62.3512 33.2940 174.5290 82 H 4.1241 8.8362 127.1783 56.0392 30.5798 175.8399 83 G 3.5474 8.5667 113.6480 48.0864 0.0000 175.8869 84 G 3.9885 8.4662 108.5028 47.7121 0.0000 175.2414 85 I 3.7786 7.7517 121.1592 64.6199 37.4426 178.1662 86 T 4.1429 8.2982 116.3041 66.8206 68.2109 176.5489 87 A 3.9929 8.3828 122.5385 55.5019 18.6091 179.6037 88 T 3.8048 8.1002 114.4424 66.6999 68.5299 176.3205 89 L 3.9363 8.4873 122.3837 58.3244 41.9148 178.8914 90 L 3.9807 7.6317 118.4245 57.9638 42.0457 177.9864 91 D 4.5995 8.6913 118.3605 58.0393 41.5136 178.0050 92 T 4.0228 8.5423 116.1070 66.5045 68.2237 176.0398 93 A 3.7388 7.7161 121.8722 53.4085 19.5895 178.5284 *95 G 3.6395 7.9246 108.8536 47.0758 0.0000 176.9353 96 Q 3.8678 7.6811 120.5495 55.6284 28.6821 179.1065 *98 V 3.4108 7.8023 117.8174 62.5087 33.2008 175.4569 99 N 4.6284 8.7529 117.0335 54.5289 38.9919 177.1920 100 R 4.0300 7.8574 116.2673 58.1475 30.3542 177.0314 101 Q 4.4435 7.9127 114.2425 55.4560 29.6125 175.1405 102 L 4.6202 7.0928 117.8755 52.3270 43.8579 174.5731 103 P 4.5797 0.0000 0.0000 61.9756 32.1437 177.4919 104 D 4.3685 8.7477 119.9421 57.1206 40.7829 177.9335 105 G 4.1404 7.9408 105.6434 44.9670 0.0000 172.9700 106 Q 4.7440 8.0982 117.9234 53.8517 32.7706 174.5130 107 S 4.9010 8.4836 115.7892 56.4512 66.8860 172.4413 108 A 5.0209 8.4312 123.1564 50.8242 20.4934 176.9504 109 V 4.5734 8.6939 115.8499 59.3944 34.5063 175.6152 110 T 3.3300 8.9758 121.9690 64.6758 68.4382 172.8919 111 S 4.4412 8.5466 118.6384 59.3459 64.6486 173.9173 112 E 4.7196 7.6998 117.1879 54.5749 33.9714 175.1965 113 L 4.4274 8.2656 121.8582 53.6039 44.8051 174.5999 114 N 4.7945 9.3261 124.3068 52.1906 40.7013 173.9328 115 I 4.6196 8.0355 125.8463 60.0361 41.3214 173.9422 116 H 4.7228 8.6017 124.1776 54.3358 30.8337 173.2723 117 Y 4.5600 8.6109 121.6552 57.0843 38.2789 175.3632 118 V 4.1380 8.9082 124.7657 63.9282 32.8022 176.1694 119 K 4.7142 7.5906 115.8409 53.6513 36.0081 174.2009 120 P 4.3425 0.0000 0.0000 62.8203 31.8681 176.3158 121 G 3.7202 8.4518 110.3604 45.1611 0.0000 173.9802 *123 G 3.7968 8.1900 111.8203 45.8483 0.0000 172.0575 124 T 4.2502 8.7883 115.2394 66.5956 69.6433 174.2080 125 Y 5.4501 7.0654 117.2364 56.2994 41.8451 173.2868 126 L 5.3259 9.1792 118.3064 53.1341 45.7199 175.9986 127 R 4.9952 9.9150 123.8043 54.4660 33.2123 173.8552 128 A 5.8763 8.6568 127.7868 49.7825 21.6260 174.9994 129 V 4.5007 8.6484 115.6389 59.9100 34.2636 175.0217 130 A 5.4178 8.6535 126.2349 50.1802 22.3262 175.3111 131 S 4.6701 9.0891 114.9519 56.3875 66.8300 173.5830 132 I 4.1506 8.4793 124.1631 61.9242 36.8308 176.0282 133 V 4.0631 9.4112 127.4628 64.9447 32.7083 175.7141 134 H 4.4991 7.6792 116.3354 55.1633 33.2136 172.2589 135 Q 4.8974 8.6507 126.9970 54.3152 29.5973 174.5977 136 G 4.2411 8.8055 114.9099 43.0059 0.0000 173.5476 137 K 4.0913 8.6425 118.5798 58.8255 32.4460 178.0971 138 Q 4.4227 7.5969 114.1390 56.0126 31.5668 176.0770 139 R 4.8793 7.5534 117.7840 54.2456 33.7642 174.3010 140 I 5.0102 8.8202 125.5841 59.5125 40.7949 174.3667 141 V 4.9127 9.4598 127.2668 61.3099 33.8436 174.6386 142 V 4.7548 9.1056 126.8370 61.3132 35.5202 173.6044 143 E 5.1573 8.7362 121.9444 54.8528 33.5307 174.0888 144 G 4.3231 7.7363 106.0184 46.3899 0.0000 171.9860 145 K 4.8574 8.2912 119.0645 54.2663 36.7222 175.3472 146 V 4.8683 7.7997 119.1237 61.7588 34.9641 173.8588 147 Y 5.4868 9.7526 123.9270 56.6998 42.6847 174.4571 148 T 5.0605 9.3097 111.8311 59.4740 70.6950 174.6079 149 D 4.3844 8.4359 121.9444 56.8662 38.9732 179.1979 150 Q 4.3550 7.8696 117.2692 55.7300 28.3429 176.7927 151 G 3.9415 8.3332 104.5743 46.1169 0.0000 174.4945 152 E 4.2931 7.7689 119.9311 55.8198 30.2744 176.1157 153 T 4.5540 8.4096 119.7913 63.0140 68.3537 174.2276 154 V 3.8671 8.0936 129.5268 63.3893 31.8202 178.0284 155 A 5.2154 6.7337 124.3461 49.5383 23.2922 173.9880 *157 G 4.7323 8.6415 101.1414 46.8942 0.0000 171.7897 158 T 5.3041 8.1998 108.0900 60.0501 72.5369 173.1016 159 G 4.4192 9.4501 108.4087 45.0229 0.0000 171.5028 160 S 5.3588 8.4866 115.3307 56.2394 65.6739 172.7644 161 F 5.4330 9.4264 124.9067 55.8823 42.5792 173.9601 162 F 5.1722 9.0991 121.6775 56.0762 41.1287 175.7104 163 V 4.5521 8.2614 122.3694 62.7890 32.8800 175.9367 164 L 4.2950 8.3303 123.4163 55.2521 43.0421 175.6698 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 13 K 8.30 4.13 0.00 1.71 1.83 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.47 7.81 *15 E 8.36 4.24 0.00 2.12 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 2.35 0.00 16 R 7.97 4.55 0.00 1.95 2.08 0.00 3.11 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 17 F 8.40 4.05 0.00 3.19 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 *21 A 8.53 4.02 0.62 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 0.00 0.00 22 N 7.94 4.99 0.00 2.90 2.92 0.00 0.00 5.62 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 23 E 8.61 3.98 0.00 2.08 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 2.35 2.58 0.00 24 E 8.26 3.91 0.00 2.12 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 0.00 2.40 2.51 0.00 25 E 8.71 4.14 0.00 1.92 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 2.60 2.43 0.00 26 K 7.45 3.98 0.00 1.86 1.87 0.00 2.07 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.68 7.81 27 D 8.39 4.53 0.00 2.80 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 28 V 7.85 3.39 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 0.88 0.00 0.00 1.00 0.00 0.00 29 L 8.58 4.19 0.00 1.91 1.91 0.80 0.80 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 30 S 8.12 4.16 0.00 4.11 4.06 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 0.00 0.00 0.00 31 S 8.61 4.16 0.00 3.97 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 32 I 7.80 3.61 1.95 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 1.64 0.80 0.83 0.00 0.00 33 V 7.73 3.65 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 1.03 0.00 0.00 0.96 0.00 0.00 34 D 8.25 4.55 0.00 2.96 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 35 G 8.47 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 36 L 8.05 4.05 0.00 1.68 1.66 0.78 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.92 4.52 0.00 1.82 1.71 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.91 4.70 1.67 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 0.00 0.00 39 K 7.91 4.32 0.00 1.93 2.11 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.62 1.74 7.81 40 Q 8.16 4.03 0.00 2.24 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.22 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 41 E 8.33 4.20 0.00 1.98 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 2.28 2.34 0.00 42 R 7.95 3.73 0.00 1.88 1.96 0.00 3.17 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 43 R 7.95 4.48 0.00 1.83 1.61 0.00 3.06 0.00 0.00 3.11 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 44 Y 7.65 4.71 0.00 3.09 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 45 A 8.80 3.97 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 46 T 7.36 4.37 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 1.16 0.00 0.00 47 Y 7.98 4.56 0.00 3.05 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 48 L 7.94 3.97 0.00 1.70 1.72 0.94 0.90 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 49 A 7.99 4.15 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 7.07 2.85 0.00 3.42 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 51 L 8.40 3.88 0.00 1.75 1.71 0.88 0.92 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 52 T 7.79 4.44 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 1.20 0.00 0.00 53 Q 8.58 3.27 0.00 2.07 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.54 6.88 0.00 0.00 0.00 0.00 0.00 2.51 2.44 0.00 54 I 7.25 3.87 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.94 0.99 0.00 0.00 55 E 8.58 4.27 0.00 2.05 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 2.49 2.34 0.00 56 S 7.95 4.25 0.00 3.89 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 57 Q 8.12 4.96 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.24 0.00 0.00 0.00 0.00 0.00 2.26 2.07 0.00 *65 E 7.51 4.16 0.00 2.11 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 2.28 2.35 0.00 66 V 8.02 4.71 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 0.96 0.00 0.00 0.95 0.00 0.00 67 R 8.58 4.93 0.00 1.76 1.70 0.00 2.99 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 68 L 8.74 5.02 0.00 1.77 1.56 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.73 0.00 2.17 2.13 0.00 3.97 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 2.02 2.04 0.00 70 I 8.90 4.05 2.08 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 1.27 0.84 0.97 0.00 0.00 71 G 8.43 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 0.00 0.00 0.00 0.00 72 P 0.00 4.13 0.00 2.20 2.23 0.00 3.79 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 2.01 1.99 0.00 73 L 7.95 4.13 0.00 1.62 1.75 0.92 0.94 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 V 8.44 4.48 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 0.75 0.00 0.00 1.03 0.00 0.00 75 N 8.03 5.29 0.00 2.68 2.69 0.00 0.00 7.15 8.00 0.00 0.00 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 N 8.31 4.83 0.00 2.88 2.85 0.00 0.00 6.20 7.76 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 77 P 0.00 4.29 0.00 2.05 2.16 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 78 L 7.89 4.42 0.00 1.75 1.65 0.89 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 79 N 7.42 3.94 0.00 2.77 2.81 0.00 0.00 6.74 7.53 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 *81 V 7.33 4.09 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 0.86 0.00 0.00 1.05 0.00 0.00 82 H 8.84 4.12 0.00 3.22 3.15 0.00 5.65 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 83 G 8.57 3.55 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 0.00 84 G 8.47 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 85 I 7.75 3.78 2.21 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 1.64 0.84 0.96 0.00 0.00 86 T 8.30 4.14 4.69 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 1.29 0.00 0.00 87 A 8.38 3.99 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 88 T 8.10 3.80 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 1.24 0.00 0.00 89 L 8.49 3.94 0.00 1.75 1.90 1.00 0.58 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 90 L 7.63 3.98 0.00 1.91 1.69 0.85 1.23 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 91 D 8.69 4.60 0.00 2.72 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 92 T 8.54 4.02 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 1.24 0.00 0.00 93 A 7.72 3.74 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 *95 G 7.92 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 96 Q 7.68 3.87 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.34 0.00 0.00 0.00 0.00 0.00 2.64 2.46 0.00 *98 V 7.80 3.41 1.69 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 0.64 0.00 0.00 0.53 0.00 0.00 99 N 8.75 4.63 0.00 2.80 2.79 0.00 0.00 6.86 7.54 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 0.00 100 R 7.86 4.03 0.00 1.76 1.96 0.00 3.15 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 101 Q 7.91 4.44 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.84 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 102 L 7.09 4.62 0.00 1.73 1.69 1.03 1.45 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 0.00 103 P 0.00 4.58 0.00 2.17 1.95 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 104 D 8.75 4.37 0.00 2.66 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 0.00 105 G 7.94 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 0.00 106 Q 8.10 4.74 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.63 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 107 S 8.48 4.90 0.00 3.83 3.92 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 0.00 108 A 8.43 5.02 1.24 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 0.00 0.00 109 V 8.69 4.57 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 0.96 0.00 0.00 1.13 0.00 0.00 110 T 8.98 3.33 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 0.89 0.00 0.00 111 S 8.55 4.44 0.00 3.70 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 0.00 112 E 7.70 4.72 0.00 1.88 1.69 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 2.24 2.31 0.00 113 L 8.27 4.43 0.00 1.39 1.51 0.90 0.97 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 0.00 114 N 9.33 4.79 0.00 2.71 2.77 0.00 0.00 6.69 7.80 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 0.00 115 I 8.04 4.62 1.69 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 1.22 0.50 0.06 0.00 0.00 116 H 8.60 4.72 0.00 2.97 3.14 0.00 5.60 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Y 8.61 4.56 0.00 2.90 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 0.00 118 V 8.91 4.14 2.31 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 0.79 0.00 0.00 0.91 0.00 0.00 119 K 7.59 4.71 0.00 1.74 1.65 0.00 2.00 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.46 7.81 120 P 0.00 4.34 0.00 2.04 2.00 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 121 G 8.45 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *123 G 8.19 3.80 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 0.00 0.00 0.00 124 T 8.79 4.25 3.89 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 1.38 0.00 0.00 125 Y 7.07 5.45 0.00 3.14 3.11 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 0.00 126 L 9.18 5.33 0.00 1.69 1.65 0.99 0.84 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 0.00 127 R 9.91 5.00 0.00 1.99 2.02 0.00 3.28 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 128 A 8.66 5.88 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 0.00 129 V 8.65 4.50 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 0.85 0.00 0.00 1.15 0.00 0.00 130 A 8.65 5.42 1.20 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 0.00 131 S 9.09 4.67 0.00 3.84 3.92 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 0.00 132 I 8.48 4.15 1.86 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 1.20 0.50 0.98 0.00 0.00 133 V 9.41 4.06 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 0.74 0.00 0.00 0.99 0.00 0.00 134 H 7.68 4.50 0.00 3.27 3.10 0.00 5.86 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 8.65 4.90 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.57 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 136 G 8.81 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 0.00 0.00 0.00 137 K 8.64 4.09 0.00 1.70 1.86 0.00 1.56 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.51 7.81 138 Q 7.60 4.42 0.00 1.69 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 139 R 7.55 4.88 0.00 0.99 1.47 0.00 3.33 0.00 0.00 3.49 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 140 I 8.82 5.01 1.96 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 1.28 0.82 0.94 0.00 0.00 141 V 9.46 4.91 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 0.99 0.00 0.00 0.99 0.00 0.00 142 V 9.11 4.75 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 0.99 0.00 0.00 0.95 0.00 0.00 143 E 8.74 5.16 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 2.20 2.46 0.00 144 G 7.74 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 0.00 0.00 0.00 0.00 145 K 8.29 4.86 0.00 1.33 1.13 0.00 1.74 0.00 0.00 1.46 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.22 1.31 7.81 146 V 7.80 4.87 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 1.15 0.00 0.00 0.88 0.00 0.00 147 Y 9.75 5.49 0.00 2.91 2.93 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 0.00 148 T 9.31 5.06 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 1.24 0.00 0.00 149 D 8.44 4.38 0.00 2.41 1.54 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 0.00 150 Q 7.87 4.36 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.43 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 151 G 8.33 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 0.00 152 E 7.77 4.29 0.00 2.04 1.92 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 2.34 2.48 0.00 153 T 8.41 4.55 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 1.06 0.00 0.00 154 V 8.09 3.87 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 1.14 0.00 0.00 0.97 0.00 0.00 155 A 6.73 5.22 1.05 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 *157 G 8.64 4.73 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 0.00 158 T 8.20 5.30 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 0.00 159 G 9.45 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 0.00 0.00 0.00 0.00 160 S 8.49 5.36 0.00 3.97 3.67 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 0.00 161 F 9.43 5.43 0.00 2.95 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 0.00 162 F 9.10 5.17 0.00 2.98 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 0.00 163 V 8.26 4.55 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 0.75 0.00 0.00 0.96 0.00 0.00 164 L 8.33 4.30 0.00 1.60 1.50 0.97 1.38 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 * Residues marked with a * may have inaccurate shift predictions.