NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2569 8.4449 120.2265 56.2173 30.6047 174.6625 4 E 4.3846 8.4948 124.0517 54.5156 30.9931 173.7471 5 H 5.0543 9.1217 120.5187 55.0345 34.1934 172.4921 6 T 4.6830 8.8700 117.0585 62.3348 72.9254 173.0838 7 I 5.0567 8.5895 126.8497 59.6734 39.7575 174.8367 8 I 4.3886 8.9776 128.5448 59.3434 39.8308 174.3065 9 Q 4.0688 8.3579 127.6958 53.8526 30.5919 174.3018 10 A 4.8411 8.2609 127.9978 50.1532 22.4345 174.4524 11 E 5.5628 8.7810 117.2637 55.7506 32.8132 173.8960 12 F 5.0683 7.9957 114.8203 56.5494 41.2048 171.8145 13 Y 5.3484 8.7857 119.3800 55.8936 42.2732 173.2008 14 L 4.8087 8.5316 128.3113 53.1343 45.1169 175.2066 15 L 5.0795 8.3228 124.5750 52.3054 44.9819 174.8667 16 P 4.5642 0.0000 0.0000 63.8273 31.8171 177.0450 17 D 4.3506 8.0743 118.8931 55.5617 41.1737 176.0474 18 K 3.7669 7.5887 116.7215 56.9604 30.0275 175.5178 19 R 4.6950 7.2149 116.2363 54.3112 34.0210 176.4136 20 G 4.5502 8.7108 108.9681 44.6494 0.0000 171.2890 21 E 4.7360 8.1705 119.6488 54.7283 33.8312 173.9464 22 F 5.1771 8.5262 126.3316 57.3319 42.8244 172.7826 23 M 4.9184 8.7084 122.9356 54.2151 35.3618 173.3352 24 F 4.8125 8.4565 117.6285 55.4983 42.7584 174.0768 25 D 5.4056 9.4085 121.8823 52.4053 44.6889 174.0708 26 F 5.1732 9.4824 127.6504 56.6811 42.1434 174.6007 27 D 4.2417 9.6545 128.1158 55.1340 38.8260 175.1006 28 G 4.0316 8.5876 107.1516 45.0590 0.0000 173.8610 29 D 5.0655 7.9002 119.7197 51.8622 43.4812 175.2640 30 E 4.5453 8.8036 123.9606 56.7780 30.6615 176.2770 31 I 4.6447 9.2599 127.9367 63.1372 38.6624 175.5238 32 F 5.2067 7.5543 114.2456 56.7538 40.6067 171.8188 33 H 5.1126 8.6761 113.9379 54.1769 32.3629 172.1499 34 V 4.6272 8.5514 120.1203 61.3517 32.9422 174.8695 35 D 4.5252 9.1007 128.7757 54.2161 41.3237 176.7658 36 I 3.6937 8.7077 127.7179 64.7475 37.4420 177.5511 37 E 4.1136 8.4013 117.7192 59.6846 29.2575 178.6412 38 K 4.0995 8.0614 114.7512 56.5819 32.6487 176.8187 39 S 3.7633 7.8157 113.1551 58.9612 61.2241 170.9505 40 E 4.8535 7.5278 115.0919 54.8008 33.7377 175.0152 41 T 4.3504 8.4376 117.6113 63.2412 69.7106 174.2308 42 I 4.3656 8.4371 127.2932 59.1644 39.6968 174.8960 43 W 5.0205 8.7886 127.7118 56.1344 29.3173 177.0008 44 R 4.0890 9.2789 125.1290 58.4742 29.9877 176.7999 45 L 4.4943 7.2235 117.3902 52.1284 44.5132 176.3578 46 E 3.9374 9.0209 124.1267 59.8550 29.2377 179.2307 47 E 3.9790 8.2058 116.5702 59.8308 29.0527 179.0231 48 F 4.3474 8.0814 118.4545 60.5166 38.4627 177.1072 49 A 2.7662 7.5053 120.4438 54.5282 17.7966 179.0358 50 K 3.7817 7.4009 114.4769 58.0969 33.0856 178.0151 51 F 4.5556 7.7153 117.5240 56.9176 40.4286 174.3365 52 A 4.5078 6.7679 119.5101 51.7165 22.3170 174.9107 53 S 5.1254 8.2100 112.6496 57.5042 65.8330 173.3192 54 F 4.6326 8.3846 121.8724 56.5243 42.2471 173.8443 55 E 4.0902 7.1502 127.1056 54.2790 29.2701 175.9302 56 A 4.1205 8.4701 129.4202 55.5430 18.3971 178.6009 57 Q 3.9612 7.7454 113.1422 59.3433 28.8443 179.8825 58 G 3.5001 7.8462 106.0459 47.6895 0.0000 175.6721 59 A 3.4226 7.9131 123.2083 54.6291 18.2435 179.7560 60 L 3.9385 7.6945 116.8364 57.6680 41.7040 179.4633 61 A 3.9748 8.1091 120.9268 55.1959 18.3019 179.3246 62 N 4.3564 8.0672 114.7063 56.6784 38.6524 177.7116 63 I 3.8933 7.9867 120.8919 64.2773 37.1881 178.2393 64 A 3.9086 8.0318 121.6931 55.1972 18.1164 179.8945 65 V 3.5386 7.8779 116.6635 66.2408 31.6066 178.0710 66 D 4.4335 8.2772 118.7962 57.0198 40.1122 178.7397 67 K 3.3866 8.2723 119.2786 59.2492 31.8920 179.0688 68 A 3.9886 7.7447 120.6192 55.4463 18.3757 179.4339 69 N 4.2997 8.5407 115.3269 56.2798 38.4512 177.3502 70 L 4.0512 8.1403 121.8688 58.3702 42.1755 178.8207 71 D 4.3956 7.8650 117.7198 57.2870 40.6292 179.0021 72 V 3.6113 7.5545 118.9195 66.3024 31.4403 178.0470 73 M 4.0733 8.5893 118.8708 58.2012 31.6083 178.9154 74 K 3.9848 8.4533 119.0993 59.5415 32.0567 179.0453 75 E 3.9557 7.8019 117.8599 59.2440 29.6393 178.5623 76 R 4.0341 8.2308 118.3519 58.6997 30.1527 177.8356 77 S 4.6555 7.9384 115.6189 57.9404 63.9322 172.6531 *78 N 3.8464 8.6717 122.9931 53.5064 35.1961 176.7366 *79 N 4.3173 8.7255 124.5767 53.5774 34.6987 173.5941 *80 T 4.1952 8.1780 114.9540 63.0056 69.3192 176.2982 *81 P 4.4689 0.0000 0.0000 64.2232 31.8145 181.5929 *82 D 4.4138 8.0066 117.3511 53.2683 43.4570 174.0644 83 A 4.5884 8.3595 122.5525 54.0938 20.3542 175.2700 84 N 4.7877 8.2375 110.5640 52.6317 40.1273 172.9622 85 V 4.4728 8.6802 118.0553 60.7481 33.7935 174.7488 86 A 4.4525 8.7616 130.2382 51.4121 19.0199 175.0407 87 P 4.7600 0.0000 0.0000 62.4198 33.0677 175.1543 88 E 4.5295 8.8336 120.6749 55.1939 31.4422 175.4951 89 V 4.7340 8.1260 122.3232 61.4654 34.6848 174.6681 90 T 4.8711 8.8624 122.7793 61.8900 73.1753 172.9738 91 V 5.1850 8.4700 123.6341 61.2307 34.4983 174.3404 92 L 4.9924 8.7443 126.7661 54.4735 44.2219 175.0320 93 S 4.5597 8.6051 114.5266 57.8918 63.8814 174.2571 94 R 4.2560 9.0835 123.4644 59.1662 30.2485 176.3526 95 S 4.7592 7.9400 109.6838 55.2997 66.4108 171.2928 96 P 4.2213 0.0000 0.0000 63.3406 31.3100 176.1641 97 V 4.1607 8.5695 122.5957 61.7983 32.4949 174.6943 98 N 5.0260 8.3511 123.8427 50.9416 41.3940 173.5971 99 L 3.6085 8.3804 122.3467 56.3414 42.1061 178.2430 100 G 3.7989 8.1434 110.5592 45.5181 0.0000 173.0551 101 E 4.2183 7.8502 120.8472 53.6611 29.4704 173.7627 102 P 4.1110 0.0000 0.0000 63.5145 32.1873 175.3401 103 N 4.8524 8.0545 119.0753 52.6520 42.9628 172.1234 104 I 5.2215 9.1138 118.0384 59.9370 41.6165 174.6985 105 L 4.3332 8.6675 127.1690 53.5756 43.5777 175.5514 106 I 5.0390 8.9588 123.9477 59.7445 40.1613 173.6913 107 C 4.9001 9.4924 127.9673 54.9571 46.6531 172.2291 108 F 5.1101 9.3704 130.8310 56.9789 40.5622 174.4417 109 I 4.4189 8.1232 128.3167 59.5956 38.9028 174.4923 110 D 4.8506 8.3410 126.3877 51.5544 45.0252 174.8535 111 K 3.7187 8.3749 119.0187 57.2973 29.4586 173.4549 112 F 5.2121 7.3795 113.2292 55.4111 42.6731 175.2511 113 S 4.9306 8.4447 110.3426 56.7751 66.1929 174.1153 114 P 4.5555 0.0000 0.0000 61.9064 31.9574 175.2346 115 P 3.7972 0.0000 0.0000 60.5478 29.4028 174.9937 116 V 4.2744 6.9993 121.3102 62.2945 34.8730 173.6545 117 V 4.5940 8.1842 118.3034 60.3727 36.0200 173.0704 118 N 4.8953 8.7080 120.1922 51.6163 41.0470 173.7229 119 V 4.6464 8.2943 123.6776 61.2010 34.2252 174.8022 120 T 4.6708 8.8053 123.6269 61.6064 72.5156 172.8232 121 W 5.2397 8.8675 125.7986 55.7380 31.2954 175.1202 122 L 5.3260 9.4675 124.3500 52.9011 44.8516 175.3766 123 R 4.1898 8.8430 124.1348 54.3713 32.3646 175.3586 124 N 3.1400 8.6836 126.3671 53.8544 36.5223 175.7814 125 G 4.0303 8.2356 103.8108 45.6354 0.0000 173.9528 126 R 4.6546 7.5922 119.4564 53.0947 32.2290 173.9604 127 P 4.8069 0.0000 0.0000 62.7715 31.9223 175.7197 128 V 4.4321 8.7158 122.3223 61.3892 33.2521 175.0893 129 T 4.6699 8.6335 114.7362 61.0251 69.9072 173.1225 130 E 4.5977 8.2101 121.9481 55.9904 31.6577 175.7801 131 G 3.8387 8.9358 110.8664 46.5699 0.0000 172.8927 132 V 5.5957 7.7737 110.3679 58.6094 35.8454 174.6755 133 S 4.8588 8.6118 115.6611 58.3066 66.3255 172.3790 134 E 5.2243 8.6300 117.0592 55.9232 32.0847 174.1107 135 T 4.6100 8.3092 111.1108 60.2314 71.6035 174.2912 136 V 3.8339 7.8968 114.9874 60.1110 33.3984 175.3767 137 F 4.4078 8.7935 120.3062 57.8673 38.9629 175.8312 138 L 4.8350 9.0499 125.1057 53.0032 43.4041 174.9015 139 P 4.6188 0.0000 0.0000 62.9415 32.1673 175.3189 140 R 4.7115 7.5352 119.6291 54.3444 33.3381 176.4756 141 D 4.4726 8.7913 118.7070 56.7103 41.6919 177.2217 142 D 4.9039 6.9857 117.7943 53.3268 39.5546 176.6949 143 H 4.4271 8.7041 115.4292 55.5805 28.8673 174.6695 144 L 4.2785 7.7376 121.2334 53.5696 44.4808 175.0036 145 F 5.2254 8.4253 118.7028 55.7854 42.5336 174.8601 146 R 5.2238 8.7468 115.6732 55.1351 33.3983 173.7337 147 K 4.8668 8.7653 118.7912 55.6586 36.4011 173.9419 148 F 5.3508 9.0409 123.3205 56.0363 42.4998 173.9271 149 H 5.3286 8.9244 119.2532 54.2039 32.6388 172.3789 150 Y 5.5909 9.5806 118.4880 56.3229 42.3683 174.1743 151 L 4.7421 8.3917 124.3634 53.3354 44.9745 175.5108 152 T 4.8497 8.5959 123.7901 63.3316 69.6180 174.0181 153 F 4.8522 8.8374 118.7818 55.9938 41.9490 172.9602 154 L 4.5515 8.3429 119.8570 52.2397 42.6435 174.8969 155 P 4.4691 0.0000 0.0000 63.0049 32.2802 175.7899 156 S 4.5756 8.4854 116.7160 57.2454 65.1953 174.3838 157 T 4.3876 8.6940 116.1569 63.5964 68.9710 174.7314 158 D 4.8500 7.8695 120.0812 53.1742 40.3424 175.9024 159 D 5.0267 7.9988 119.7422 53.1792 42.9886 175.1452 160 F 5.3226 8.2300 114.6397 55.7638 41.7974 173.0359 161 Y 5.3661 9.6070 117.4462 56.7936 42.2280 174.1804 162 D 5.3889 9.3952 119.1602 53.4103 46.2539 173.6559 163 C 4.5272 9.4142 123.1858 54.7639 42.7851 171.8378 164 E 5.0020 9.0906 128.3790 54.5138 31.3745 174.4958 165 V 4.7038 8.9913 127.3099 60.9696 34.6740 173.4622 166 D 5.2255 8.8679 127.4002 52.7845 43.9649 174.0746 167 H 4.9175 8.5096 123.4376 54.3219 33.0855 173.9966 168 W 4.4741 8.6407 123.9438 59.9041 28.9997 177.4355 169 G 3.9746 8.2833 104.3505 45.6843 0.0000 173.0332 170 L 4.6737 7.8096 120.6976 52.7737 43.1449 176.2875 171 E 4.0411 8.6822 123.2887 58.5760 29.8015 176.8326 172 E 4.8003 7.5604 115.2656 52.9591 32.7790 173.6154 173 P 4.4137 0.0000 0.0000 63.3498 31.8921 175.3759 174 L 4.4371 9.1093 125.3849 54.3357 43.8317 175.4522 175 R 5.0213 8.4777 123.7278 54.5243 33.1047 174.6459 176 K 4.6224 8.8807 124.3457 54.9067 34.3148 175.5139 177 H 5.5100 8.8658 124.5170 54.7538 31.6101 174.0017 178 W 5.1822 8.8978 132.5860 56.2822 34.3502 173.2737 179 E 4.9483 7.3832 124.6816 54.3513 33.2211 174.9619 180 F 4.0030 8.5932 124.4260 57.8219 40.3760 174.7520 181 E 4.0878 6.9661 125.0400 54.4611 33.1667 175.3117 182 E 4.0054 8.2632 121.6417 56.5979 29.6397 176.5223 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 3 E 8.44 4.26 0.00 2.01 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 2.30 2.46 0.00 4 E 8.49 4.38 0.00 1.94 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 2.20 2.30 0.00 5 H 9.12 5.05 0.00 3.16 3.11 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.87 4.68 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 1.18 0.00 0.00 7 I 8.59 5.06 2.02 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.84 1.23 0.00 0.00 8 I 8.98 4.39 1.80 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 1.06 0.70 0.79 0.00 0.00 9 Q 8.36 4.07 0.00 0.93 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.71 0.00 0.00 0.00 0.00 0.00 1.16 1.64 0.00 10 A 8.26 4.84 1.14 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 11 E 8.78 5.56 0.00 2.12 1.71 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 2.16 2.32 0.00 12 F 8.00 5.07 0.00 3.10 3.26 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 13 Y 8.79 5.35 0.00 3.17 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 14 L 8.53 4.81 0.00 1.50 1.39 0.71 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.32 5.08 0.00 1.66 1.55 1.03 1.16 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 16 P 0.00 4.56 0.00 2.23 2.20 0.00 4.04 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 17 D 8.07 4.35 0.00 2.55 2.72 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 18 K 7.59 3.77 0.00 1.95 1.96 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.58 7.81 19 R 7.21 4.69 0.00 1.64 1.78 0.00 3.01 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 20 G 8.71 4.55 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 21 E 8.17 4.74 0.00 1.38 1.12 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 2.05 2.16 0.00 22 F 8.53 5.18 0.00 3.10 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 23 M 8.71 4.92 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 24 F 8.46 4.81 0.00 2.35 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 25 D 9.41 5.41 0.00 2.63 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 9.48 5.17 0.00 3.14 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 27 D 9.65 4.24 0.00 2.25 2.45 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 0.00 28 G 8.59 4.03 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 0.00 0.00 0.00 29 D 7.90 5.07 0.00 2.84 2.66 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 30 E 8.80 4.55 0.00 2.03 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 2.49 2.40 0.00 31 I 9.26 4.64 2.15 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.01 1.28 0.00 0.00 32 F 7.55 5.21 0.00 2.74 3.01 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 33 H 8.68 5.11 0.00 3.28 3.46 0.00 5.24 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.55 4.63 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.08 0.00 0.00 35 D 9.10 4.53 0.00 2.80 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 36 I 8.71 3.69 1.91 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 1.45 1.05 0.95 0.00 0.00 37 E 8.40 4.11 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 38 K 8.06 4.10 0.00 1.76 1.96 0.00 2.03 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.46 7.81 39 S 7.82 3.76 0.00 3.99 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 40 E 7.53 4.85 0.00 2.02 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 2.40 2.33 0.00 41 T 8.44 4.35 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 -0.22 0.00 0.00 42 I 8.44 4.37 1.52 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 1.14 0.92 0.94 0.00 0.00 43 W 8.79 5.02 0.00 3.23 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 44 R 9.28 4.09 0.00 1.99 2.23 0.00 3.32 0.00 0.00 3.56 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.68 0.00 45 L 7.22 4.49 0.00 0.27 0.85 0.74 0.77 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 46 E 9.02 3.94 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.86 0.96 0.00 0.00 64 A 8.03 3.91 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.88 3.54 2.28 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 1.10 0.00 0.00 0.98 0.00 0.00 66 D 8.28 4.43 0.00 2.93 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 67 K 8.27 3.39 0.00 1.63 1.54 0.00 1.40 0.00 0.00 1.39 0.00 0.00 2.75 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 0.21 7.81 68 A 7.74 3.99 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 69 N 8.54 4.30 0.00 2.88 2.92 0.00 0.00 6.72 6.28 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 70 L 8.14 4.05 0.00 2.02 2.00 1.00 1.39 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 71 D 7.86 4.40 0.00 2.97 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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3.02 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 0.00 122 L 9.47 5.33 0.00 1.76 1.59 1.04 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 123 R 8.84 4.19 0.00 1.73 1.64 0.00 3.35 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.79 0.00 124 N 8.68 3.14 0.00 2.52 2.52 0.00 0.00 7.12 7.23 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 0.00 125 G 8.24 4.03 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 0.00 0.00 0.00 126 R 7.59 4.65 0.00 1.79 1.81 0.00 3.29 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.63 0.00 127 P 0.00 4.81 0.00 2.19 2.10 0.00 3.46 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 2.09 0.00 128 V 8.72 4.43 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 0.90 0.00 0.00 1.05 0.00 0.00 129 T 8.63 4.67 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 1.27 0.00 0.00 130 E 8.21 4.60 0.00 1.97 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 2.23 2.22 0.00 131 G 8.94 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 0.00 132 V 7.77 5.60 2.39 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 0.73 0.00 0.00 1.07 0.00 0.00 133 S 8.61 4.86 0.00 3.96 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 0.00 134 E 8.63 5.22 0.00 1.57 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 135 T 8.31 4.61 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 136 V 7.90 3.83 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 0.41 0.00 0.00 0.94 0.00 0.00 137 F 8.79 4.41 0.00 3.26 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 9.05 4.84 0.00 1.88 1.73 1.32 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 4.62 0.00 2.00 2.01 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 140 R 7.54 4.71 0.00 1.74 1.82 0.00 3.29 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 141 D 8.79 4.47 0.00 2.63 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 0.00 142 D 6.99 4.90 0.00 2.80 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 0.00 143 H 8.70 4.43 0.00 3.15 3.35 0.00 5.70 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.74 4.28 0.00 1.46 1.58 0.81 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 145 F 8.43 5.23 0.00 2.02 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 R 8.75 5.22 0.00 1.90 2.18 0.00 3.12 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 147 K 8.77 4.87 0.00 1.95 1.64 0.00 1.07 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.30 7.81 148 F 9.04 5.35 0.00 2.88 2.37 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 0.00 149 H 8.92 5.33 0.00 2.82 3.16 0.00 5.56 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 0.00 150 Y 9.58 5.59 0.00 2.86 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 0.00 151 L 8.39 4.74 0.00 0.27 0.13 0.61 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 152 T 8.60 4.85 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 1.15 0.00 0.00 153 F 8.84 4.85 0.00 2.99 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 0.00 154 L 8.34 4.55 0.00 1.53 1.58 0.89 0.89 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 0.00 155 P 0.00 4.47 0.00 1.67 1.63 0.00 3.27 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.04 0.00 156 S 8.49 4.58 0.00 3.83 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 0.00 157 T 8.69 4.39 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 1.43 0.00 0.00 158 D 7.87 4.85 0.00 2.81 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 8.00 5.03 0.00 2.87 2.41 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 0.00 160 F 8.23 5.32 0.00 3.14 3.18 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 0.00 161 Y 9.61 5.37 0.00 3.16 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 0.00 162 D 9.40 5.39 0.00 2.73 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 0.00 163 C 9.41 4.53 0.00 2.46 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 0.00 164 E 9.09 5.00 0.00 1.98 1.71 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 2.16 2.20 0.00 165 V 8.99 4.70 1.88 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 0.61 0.00 0.00 0.62 0.00 0.00 166 D 8.87 5.23 0.00 2.67 2.41 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 0.00 167 H 8.51 4.92 0.00 3.08 3.00 0.00 5.94 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 0.00 168 W 8.64 4.47 0.00 3.30 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 0.00 169 G 8.28 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 0.00 0.00 0.00 170 L 7.81 4.67 0.00 1.74 1.74 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 171 E 8.68 4.04 0.00 1.95 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 2.32 2.25 0.00 172 E 7.56 4.80 0.00 2.02 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 2.15 2.24 0.00 173 P 0.00 4.41 0.00 2.07 2.09 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 174 L 9.11 4.44 0.00 1.68 1.61 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 175 R 8.48 5.02 0.00 1.69 1.83 0.00 3.31 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 176 K 8.88 4.62 0.00 1.66 1.76 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.59 7.81 177 H 8.87 5.51 0.00 3.24 3.25 0.00 5.55 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 0.00 178 W 8.90 5.18 0.00 3.52 3.09 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 0.00 179 E 7.38 4.95 0.00 1.63 1.59 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 2.34 2.43 0.00 180 F 8.59 4.00 0.00 3.29 3.26 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 0.00 181 E 6.97 4.09 0.00 1.60 1.50 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 1.93 1.94 0.00 182 E 8.26 4.01 0.00 1.91 1.88 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 2.65 2.48 0.00 * Residues marked with a * may have inaccurate shift predictions.