NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 G 3.6627 8.2127 109.7249 46.4360 0.0000 177.1801 7 F 3.1396 6.8829 125.2211 56.1799 42.9460 175.9986 8 L 3.7802 8.5478 121.9152 58.8562 41.3662 178.6487 9 E 4.0658 8.1361 118.7905 59.3115 29.2050 179.1100 10 L 3.8457 6.8479 116.7875 57.9393 41.8713 179.3087 11 E 4.0109 8.1754 118.7063 59.1815 29.1736 178.9886 12 R 4.2562 8.5496 116.7371 56.0697 30.6374 176.9812 13 S 4.5710 7.3564 114.0585 57.8749 63.8482 173.6994 14 S 4.4479 8.8153 115.4146 57.6128 64.9820 175.3241 15 G 4.0933 8.7732 109.1762 45.4097 0.0000 173.9588 16 K 4.0652 8.4564 119.2925 59.1472 32.1647 178.7790 17 L 3.9714 7.8917 120.2639 58.1111 42.1560 178.4484 18 E 3.9267 8.1575 118.7448 58.9242 29.6507 178.0850 19 W 4.0035 8.0051 128.3259 60.7221 30.6884 177.6694 20 S 4.1479 8.8323 113.0613 61.3940 61.8093 175.9298 21 A 3.9691 8.0747 123.2780 55.3053 17.9272 179.6871 22 I 3.5444 7.8107 117.2818 64.3527 37.2198 178.1553 23 L 3.7779 7.3690 120.0221 58.1086 42.1514 178.6703 24 Q 4.1865 8.2629 118.3845 58.5808 28.6733 178.9259 25 K 4.2933 8.0440 119.8834 56.5015 32.3977 178.6607 *27 A 4.3274 7.9769 121.2977 51.9020 20.6939 179.7997 28 S 4.7021 8.5816 110.0480 61.1467 62.6469 176.1491 29 D 4.4275 8.5079 119.3286 57.2347 40.6555 177.7495 30 L 4.1260 7.9478 119.7690 56.9472 42.3230 176.6628 31 G 3.6851 7.3399 105.3291 45.0575 0.0000 173.1245 32 F 4.9053 8.9009 120.7839 55.6496 40.4722 176.9431 33 S 4.3993 8.5353 121.1535 60.3763 63.8866 174.7710 34 K 5.1890 8.2240 118.0761 54.5244 36.2022 175.2568 35 I 5.2345 9.8679 122.3891 59.5333 42.3332 173.4917 36 L 4.9044 8.9281 128.9792 53.1973 45.4156 174.5569 37 F 5.2204 9.5741 129.5180 56.5695 41.4148 174.2306 38 G 4.4305 8.7158 114.0234 44.3446 0.0000 171.0207 39 L 5.2227 9.2110 125.0994 53.4887 46.1548 174.4841 40 L 5.4096 9.3518 125.4678 52.1559 45.6933 174.4930 41 P 4.1782 0.0000 0.0000 61.4647 33.1239 175.0164 42 K 4.1883 8.4190 120.6416 57.1168 32.4984 175.9885 43 D 4.2972 8.1518 124.4245 55.6545 38.5647 173.6710 44 S 4.7120 7.4667 112.9550 56.6583 64.5640 172.9803 45 Q 4.0146 8.1736 126.8036 55.7818 30.0918 175.7937 46 D 4.5299 7.3682 116.7642 52.3419 39.8304 176.2247 47 Y 4.3634 7.3326 121.1441 61.1388 38.3930 178.8656 48 E 4.2892 8.3643 117.9555 58.2487 29.8060 177.4984 49 N 4.9059 8.0029 115.7332 52.6922 39.2687 174.5565 50 A 4.3979 7.6234 119.5992 51.5440 19.7039 178.2182 51 F 4.2767 9.3222 122.7813 58.3982 40.2972 174.2444 52 I 4.9402 7.8536 126.8498 59.4051 39.9150 175.2491 53 V 4.2635 9.9178 126.6623 61.5713 35.0518 175.4812 54 G 3.5649 7.8520 111.4830 44.4921 0.0000 173.7037 55 N 5.1400 8.2072 121.3785 52.4477 38.0050 174.0656 56 Y 4.4992 8.4591 115.4327 58.6483 38.6884 175.3880 57 P 4.3634 0.0000 0.0000 62.8627 32.7501 177.2829 58 A 4.0661 8.9893 124.3255 55.6104 18.2846 179.5557 59 A 4.1012 8.0804 118.4977 54.8577 18.4788 179.5762 60 W 4.3513 8.1745 126.4156 60.8528 31.0429 177.9434 61 R 3.7799 8.2478 118.0760 59.5371 29.5232 178.8383 62 E 3.9195 8.6424 118.2106 59.6210 29.5173 178.8094 63 H 4.0067 8.1835 118.1414 59.3867 29.4632 176.2832 64 Y 3.4706 7.8808 121.4458 60.8215 38.5502 178.1836 65 D 4.4312 8.1069 119.3771 57.6111 40.8058 179.1123 66 R 3.9202 7.9127 116.9908 58.5593 30.1212 178.0578 67 A 4.1054 7.9036 118.6733 51.0628 19.1444 177.1213 68 G 3.8803 7.7715 105.6845 46.3422 0.0000 175.9464 69 Y 4.2234 7.8700 119.2738 59.9109 38.0596 178.6191 70 A 3.8627 7.6736 121.3694 54.2273 18.3968 178.3397 71 R 4.2159 7.7318 112.4491 56.9355 30.7165 177.1204 72 V 3.8932 7.1752 116.5423 63.8723 33.2016 175.5147 73 D 3.3700 7.9813 120.4170 53.9021 41.6443 175.4716 74 P 4.2195 0.0000 0.0000 65.2262 31.2381 178.5194 75 T 3.8473 7.9632 110.2296 64.5405 68.7839 176.8685 76 V 3.4647 7.4622 121.3560 65.7448 31.0683 178.1134 77 S 4.0817 7.8769 113.5688 61.6604 62.6577 175.5707 78 H 4.0614 8.3718 121.9300 59.3894 29.3761 176.8593 79 C 4.0851 8.0969 117.3923 63.0491 28.0516 175.8181 80 T 4.1975 7.7425 108.7912 63.3939 68.6246 174.9258 81 Q 4.5325 7.9831 119.1144 55.9399 30.9125 175.2206 82 S 4.5759 7.5786 110.0796 57.1161 65.2918 173.6743 83 V 4.2463 8.2698 116.3302 61.1800 32.0817 176.0933 84 L 4.5172 7.7824 120.5926 52.3298 43.1304 174.8691 85 P 4.1833 0.0000 0.0000 62.5793 31.9394 175.7704 86 I 4.3852 8.2255 121.7114 59.1857 40.2084 174.6413 87 F 4.5669 8.9840 128.3192 56.2117 39.8411 176.4110 88 W 4.8991 8.6251 124.0544 56.2323 26.7676 176.9470 89 E 4.3163 8.0826 120.9001 55.5325 30.5034 176.9713 90 P 3.8219 0.0000 0.0000 65.8698 31.1014 178.9157 91 S 4.3061 8.0157 111.4249 60.6243 63.0950 175.8709 92 I 3.9657 7.6868 116.2479 62.2014 37.7134 175.5880 93 Y 4.3529 7.3668 118.6254 57.0370 36.9253 174.6358 94 Q 4.3572 9.1343 124.3919 57.6285 30.1714 177.7824 95 T 4.2754 7.6526 107.6464 60.3178 71.6188 175.3511 96 R 3.8725 8.3968 120.7057 59.9352 29.8889 178.6201 97 K 4.0883 7.9916 117.3978 59.5048 32.0265 179.2953 98 Q 4.0711 8.1554 118.5383 59.0883 28.5946 178.3822 99 H 4.3916 8.4964 117.7162 58.9159 28.7085 177.4194 100 E 3.9457 8.1801 120.6669 59.1431 29.4684 178.3294 101 F 3.7547 8.4289 121.0532 61.3634 39.3774 176.7945 102 F 3.6929 8.5129 120.3823 61.0770 38.9727 176.6179 103 E 3.4596 8.0190 118.7244 59.2143 29.4629 178.7219 104 E 3.7974 8.1793 118.4764 59.1789 29.4883 179.1337 105 A 2.5800 7.7218 120.9796 54.6109 18.2183 179.7388 106 S 3.6149 7.7494 113.6517 61.6423 62.6016 176.8495 107 A 3.7646 7.4877 121.8481 54.8689 18.1459 178.7848 108 A 3.9991 6.9615 116.3790 52.5112 18.3772 178.3458 109 G 3.7167 7.7387 105.9859 45.4513 0.0000 174.3883 110 L 4.7956 7.1338 119.1956 54.0329 41.9270 178.4218 111 V 3.8772 7.6715 119.8209 63.8655 32.3151 176.0332 112 Y 5.2231 7.9752 118.1676 55.0734 40.2069 175.6594 113 G 3.2259 7.9286 110.3948 45.8412 0.0000 170.6705 114 L 4.2915 6.2243 117.8136 54.9241 44.2825 175.1641 115 T 5.5464 8.3149 116.2057 60.5899 72.4124 171.1832 *117 P 4.5307 0.0000 0.0000 63.1927 33.0033 176.1375 118 L 4.7664 8.3129 121.8948 53.3214 44.8771 175.4718 119 H 5.1708 8.8030 119.9320 54.1246 31.9821 173.6249 120 G 3.9374 9.0024 113.0501 44.2157 0.0000 173.5712 121 A 4.1235 8.5782 122.1510 54.2853 18.4701 178.5810 122 R 4.5237 8.0934 115.0761 56.1370 30.9961 177.2127 123 G 3.9238 8.2228 104.5428 45.4944 0.0000 173.9805 124 E 4.4262 7.9055 119.5082 56.2879 30.9898 175.4246 125 L 5.0608 8.8484 125.7069 53.3958 44.9757 175.5596 126 G 4.3771 8.7652 111.8486 45.5513 0.0000 170.8637 127 A 4.9621 8.8801 120.4667 50.0668 23.1176 175.3197 128 L 5.0607 8.5841 123.3750 53.7030 44.3069 174.9509 129 S 5.2930 9.3437 123.3987 56.9519 65.8604 173.6285 130 L 5.3062 8.6306 122.8336 53.1093 45.4436 175.6617 131 S 5.2966 9.6344 119.0185 56.7403 65.7469 173.3154 132 V 4.5629 8.5206 121.2938 60.0056 33.6844 174.9574 133 E 4.3348 8.7783 123.3312 55.6162 30.0643 175.6359 134 A 4.7307 8.3617 125.2261 50.6347 22.4924 175.5794 135 E 4.2236 8.8041 119.2164 58.9759 29.9310 177.5794 136 N 5.2915 7.4722 115.9892 50.6399 41.5926 175.1677 137 R 2.8559 8.3260 119.8770 58.8751 30.0785 178.0674 138 A 3.9017 7.8691 120.3306 55.1347 18.2698 179.0230 139 E 3.7962 8.5288 117.4540 59.3178 29.5226 178.6872 140 A 4.0034 7.4698 119.3174 55.4486 18.4817 179.0500 141 N 4.4174 8.3445 113.8491 56.2785 38.9882 177.1774 142 R 4.0734 8.0444 120.1390 59.4401 29.9862 178.9138 143 F 4.3083 8.1961 116.5640 59.2612 38.5859 176.1842 *145 E 4.3385 8.1396 118.8400 55.9610 31.1859 178.3598 146 S 4.1743 7.7426 112.3715 60.4755 63.2626 175.8683 147 V 4.2457 7.0935 113.7082 60.4707 32.0192 176.9312 148 L 4.0721 7.5935 121.6198 58.1379 41.6693 177.1621 149 P 4.3403 0.0000 0.0000 65.8808 31.3525 178.4389 150 T 4.0967 7.8643 113.2031 66.6233 68.7065 176.0136 151 L 4.1800 8.1323 122.2774 57.6742 40.7639 178.7246 152 W 4.3582 8.4272 126.1691 57.8554 30.4716 177.2776 *154 L 4.5083 7.8693 120.6985 54.4482 43.3434 178.7260 155 K 4.1153 8.3524 118.5990 60.3686 32.1163 178.7867 156 D 4.3881 7.7178 117.2175 57.1157 40.7844 178.2117 157 Y 4.1286 7.8763 116.5982 61.0791 37.9437 178.3884 158 A 4.1898 8.7442 122.0394 55.1154 18.5326 179.2543 159 L 4.3170 8.5542 119.0981 58.6631 42.2060 179.0016 160 Q 4.0856 8.5556 119.5598 59.2529 28.9894 178.2533 161 S 4.6643 8.1642 115.5745 61.0553 62.5983 176.3537 162 G 2.7660 8.8670 108.5736 47.2663 0.0000 175.4396 163 A 3.9840 8.6720 123.6282 54.8615 18.4624 179.8580 164 G 3.5165 7.5890 102.7571 47.8029 0.0000 175.4960 165 L 3.6104 7.3742 121.5710 57.7650 42.1137 178.7342 166 A 3.1319 7.2590 119.2701 53.8358 17.9877 178.2019 167 F 4.8511 7.7802 113.2234 57.7778 41.8368 174.7317 168 E 4.1833 7.9818 125.0529 56.2248 29.3529 175.5298 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 6 G 8.21 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 7 F 6.88 3.14 0.00 2.47 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 8 L 8.55 3.78 0.00 1.89 1.90 0.89 0.60 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 9 E 8.14 4.07 0.00 2.13 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 2.36 2.37 0.00 10 L 6.85 3.85 0.00 1.58 1.72 0.69 -0.10 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 11 E 8.18 4.01 0.00 1.56 1.77 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 1.47 1.47 0.00 12 R 8.55 4.26 0.00 1.65 1.94 0.00 3.25 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 13 S 7.36 4.57 0.00 4.19 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 14 S 8.82 4.45 0.00 3.95 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 15 G 8.77 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 0.00 0.00 0.00 16 K 8.46 4.07 0.00 1.90 1.85 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.63 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.53 1.57 7.81 17 L 7.89 3.97 0.00 1.75 1.68 0.94 0.89 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 18 E 8.16 3.93 0.00 2.11 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 2.39 2.37 0.00 19 W 8.01 4.00 0.00 3.52 3.36 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 20 S 8.83 4.15 0.00 4.04 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 21 A 8.07 3.97 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 22 I 7.81 3.54 1.69 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.66 0.72 0.00 0.00 23 L 7.37 3.78 0.00 0.74 1.46 0.63 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.26 4.19 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 25 K 8.04 4.29 0.00 1.81 1.72 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.45 7.81 *27 A 7.98 4.33 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 28 S 8.58 4.70 0.00 3.95 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 29 D 8.51 4.43 0.00 2.74 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 30 L 7.95 4.13 0.00 1.76 2.24 1.04 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.34 3.69 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 0.00 0.00 0.00 32 F 8.90 4.91 0.00 3.33 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 33 S 8.54 4.40 0.00 3.92 4.01 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 0.00 0.00 0.00 34 K 8.22 5.19 0.00 1.92 2.06 0.00 1.98 0.00 0.00 1.86 0.00 0.00 2.81 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.41 7.81 35 I 9.87 5.23 1.92 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.66 0.99 0.00 0.00 36 L 8.93 4.90 0.00 0.27 0.80 0.57 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 37 F 9.57 5.22 0.00 3.31 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 38 G 8.72 4.43 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 0.00 39 L 9.21 5.22 0.00 1.57 1.59 0.94 0.46 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 40 L 9.35 5.41 0.00 1.71 1.49 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.18 0.00 1.70 1.08 0.00 3.66 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 1.86 1.71 0.00 42 K 8.42 4.19 0.00 1.90 1.68 0.00 1.67 0.00 0.00 2.31 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.30 7.81 43 D 8.15 4.30 0.00 2.72 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 44 S 7.47 4.71 0.00 3.64 3.77 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 45 Q 8.17 4.01 0.00 1.73 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.31 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 46 D 7.37 4.53 0.00 2.58 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.33 4.36 0.00 3.16 2.99 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 48 E 8.36 4.29 0.00 2.11 2.03 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 2.51 2.50 0.00 49 N 8.00 4.91 0.00 3.07 2.81 0.00 0.00 6.93 6.88 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 50 A 7.62 4.40 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 51 F 9.32 4.28 0.00 3.08 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 52 I 7.85 4.94 1.76 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.88 0.80 0.00 0.00 53 V 9.92 4.26 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 1.25 0.00 0.00 0.79 0.00 0.00 54 G 7.85 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 55 N 8.21 5.14 0.00 2.87 2.90 0.00 0.00 6.92 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 56 Y 8.46 4.50 0.00 3.02 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 57 P 0.00 4.36 0.00 2.29 2.06 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 58 A 8.99 4.07 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 59 A 8.08 4.10 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 60 W 8.17 4.35 0.00 3.40 3.37 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 61 R 8.25 3.78 0.00 2.11 1.99 0.00 3.39 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.97 0.00 62 E 8.64 3.92 0.00 2.16 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 2.44 0.00 63 H 8.18 4.01 0.00 3.27 3.33 0.00 5.80 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 7.88 3.47 0.00 2.25 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 65 D 8.11 4.43 0.00 2.74 2.71 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 66 R 7.91 3.92 0.00 1.86 1.91 0.00 3.12 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 67 A 7.90 4.11 0.33 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 68 G 7.77 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 0.00 0.00 0.00 69 Y 7.87 4.22 0.00 1.74 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 0.00 0.00 0.00 70 A 7.67 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.73 4.22 0.00 1.95 2.00 0.00 3.17 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.69 0.00 72 V 7.18 3.89 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 0.57 0.00 0.00 0.93 0.00 0.00 73 D 7.98 3.37 0.00 2.24 2.34 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 74 P 0.00 4.22 0.00 2.03 2.14 0.00 3.60 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 1.53 1.35 0.00 75 T 7.96 3.85 4.35 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 1.24 0.00 0.00 76 V 7.46 3.46 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 0.51 0.00 0.00 0.90 0.00 0.00 77 S 7.88 4.08 0.00 4.04 4.04 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 78 H 8.37 4.06 0.00 3.27 3.54 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 C 8.10 4.09 0.00 3.14 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 80 T 7.74 4.20 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 1.37 0.00 0.00 81 Q 7.98 4.53 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 82 S 7.58 4.58 0.00 3.63 3.41 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 0.00 83 V 8.27 4.25 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 0.79 0.00 0.00 1.01 0.00 0.00 84 L 7.78 4.52 0.00 1.69 1.68 1.05 1.43 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 85 P 0.00 4.18 0.00 1.58 1.37 0.00 3.43 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.81 0.00 86 I 8.23 4.39 1.27 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.62 0.95 0.00 0.00 87 F 8.98 4.57 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 88 W 8.63 4.90 0.00 3.48 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 89 E 8.08 4.32 0.00 2.05 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 2.53 2.33 0.00 90 P 0.00 3.82 0.00 2.22 2.23 0.00 3.70 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 91 S 8.02 4.31 0.00 4.03 4.02 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 0.00 0.00 0.00 0.00 92 I 7.69 3.97 1.59 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 -0.36 0.92 0.00 0.00 93 Y 7.37 4.35 0.00 3.03 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 94 Q 9.13 4.36 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 95 T 7.65 4.28 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 1.18 0.00 0.00 96 R 8.40 3.87 0.00 1.91 1.99 0.00 3.20 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 97 K 7.99 4.09 0.00 1.83 1.86 0.00 1.76 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.55 7.81 98 Q 8.16 4.07 0.00 2.36 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 99 H 8.50 4.39 0.00 3.41 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.18 3.95 0.00 2.14 2.18 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 2.42 2.38 0.00 101 F 8.43 3.75 0.00 2.87 3.17 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 0.00 102 F 8.51 3.69 0.00 2.01 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 0.00 103 E 8.02 3.46 0.00 1.94 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 2.19 2.17 0.00 104 E 8.18 3.80 0.00 2.24 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 0.00 2.40 2.54 0.00 105 A 7.72 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 S 7.75 3.61 0.00 3.44 3.46 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 0.00 107 A 7.49 3.76 1.18 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 0.00 0.00 0.00 108 A 6.96 4.00 0.59 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 0.00 0.00 109 G 7.74 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 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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 2.38 0.00 136 N 7.47 5.29 0.00 2.86 2.89 0.00 0.00 6.37 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 0.00 137 R 8.33 2.86 0.00 1.96 1.94 0.00 3.49 0.00 0.00 3.66 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 138 A 7.87 3.90 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 0.00 139 E 8.53 3.80 0.00 2.06 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 2.25 2.29 0.00 140 A 7.47 4.00 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 0.00 141 N 8.34 4.42 0.00 2.78 2.79 0.00 0.00 7.03 7.63 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 0.00 142 R 8.04 4.07 0.00 2.04 2.12 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 143 F 8.20 4.31 0.00 3.08 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 *145 E 8.14 4.34 0.00 2.28 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 2.23 2.26 0.00 146 S 7.74 4.17 0.00 4.04 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 0.00 147 V 7.09 4.25 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 0.71 0.00 0.00 0.49 0.00 0.00 148 L 7.59 4.07 0.00 1.93 1.84 1.07 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.34 0.00 2.09 2.10 0.00 3.72 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 2.20 0.00 150 T 7.86 4.10 4.46 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 1.28 0.00 0.00 151 L 8.13 4.18 0.00 1.94 1.84 0.67 0.59 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 0.00 152 W 8.43 4.36 0.00 3.76 3.05 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 *154 L 7.87 4.51 0.00 1.98 1.86 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 155 K 8.35 4.12 0.00 2.07 2.04 0.00 1.28 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.25 1.67 7.81 156 D 7.72 4.39 0.00 2.58 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 0.00 157 Y 7.88 4.13 0.00 3.32 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 0.00 158 A 8.74 4.19 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 0.00 0.00 159 L 8.55 4.32 0.00 2.06 2.09 1.06 1.02 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 0.00 160 Q 8.56 4.09 0.00 2.40 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.59 0.00 0.00 0.00 0.00 0.00 2.54 2.65 0.00 161 S 8.16 4.66 0.00 4.36 4.34 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 0.00 162 G 8.87 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 0.00 0.00 0.00 163 A 8.67 3.98 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 0.00 0.00 164 G 7.59 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.37 3.61 0.00 1.04 1.03 0.75 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 166 A 7.26 3.13 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 F 7.78 4.85 0.00 3.03 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 0.00 168 E 7.98 4.18 0.00 1.93 1.80 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 2.29 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.