NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1909 8.3101 120.1293 56.1144 33.1218 175.4764 3 A 4.0650 8.3404 127.1737 51.0325 19.2624 175.1198 4 L 4.3925 7.8601 119.8846 54.2967 43.7195 176.3879 5 T 4.2404 8.2656 112.4035 60.9979 70.6283 175.6358 6 A 3.9995 8.4838 122.2584 55.1189 18.1159 179.4068 7 R 4.0832 7.8951 116.1896 58.8544 30.4998 178.4483 8 Q 4.0055 7.9521 117.7197 58.8300 28.5704 178.3463 9 Q 4.0720 8.3243 120.7425 59.1856 29.1999 178.0960 10 E 4.0267 7.8117 119.5085 59.1719 29.3702 179.5949 11 V 3.6342 7.7932 118.3711 66.0357 31.7551 177.7296 12 F 4.0853 8.3101 120.4558 61.6564 39.1775 176.8522 13 D 4.3697 8.6990 118.7731 57.0927 40.5391 178.5600 14 L 3.9291 7.7916 120.6264 58.0581 42.1459 178.9183 15 I 3.6274 7.8247 119.9275 64.5348 36.9480 178.3259 16 R 3.7451 7.5566 119.2150 59.4682 29.8385 178.3410 17 D 4.3150 8.0248 118.7164 57.5780 40.7792 178.2380 18 H 4.2332 8.6442 119.2472 59.2086 29.8615 177.3963 19 I 3.7711 7.8217 121.7703 64.4544 36.7120 178.3812 20 S 4.1412 7.7212 112.9272 60.7433 62.2251 175.3714 21 Q 4.3132 7.7395 119.8121 56.9666 29.2476 176.4578 22 T 4.2526 8.3352 108.3889 60.8846 70.4508 175.5039 23 G 3.9834 9.3720 109.8670 45.1549 0.0000 172.8672 24 M 4.8017 7.2461 114.6364 52.5398 34.3132 173.3274 25 P 4.4075 0.0000 0.0000 62.0110 32.1533 174.5798 26 P 4.7829 0.0000 0.0000 62.6020 32.3820 176.6979 27 T 4.3442 8.6593 110.7424 61.0786 71.2398 176.0458 28 R 3.9140 8.5153 120.2409 59.5105 29.9975 179.2097 29 A 4.0778 7.9431 120.0803 55.0237 18.4537 179.3887 30 E 3.9032 8.1088 117.2704 59.3284 29.5523 179.4930 31 I 3.6040 7.9920 119.8681 64.2256 37.1103 178.2709 32 A 3.9809 7.9889 121.5270 55.3340 17.5831 179.6826 33 Q 3.8804 8.1542 116.5584 59.2927 28.5672 179.4158 34 R 4.1314 7.7222 117.8697 58.7256 30.1971 178.4047 35 L 4.1040 7.4521 117.2171 54.8926 41.8274 177.8026 36 G 3.9612 6.9249 107.2288 45.1372 0.0000 173.3455 37 F 4.7366 7.5222 118.7389 57.1358 39.3177 176.3026 38 R 4.2034 8.6984 123.5216 57.5219 30.5669 176.4539 39 S 4.7216 7.7645 112.7257 55.1497 65.2526 172.8102 40 P 4.4179 0.0000 0.0000 65.0794 31.1063 178.2749 41 N 4.3253 8.0572 116.2034 56.3372 38.6185 176.5951 42 A 3.7415 7.7495 122.4324 54.9049 18.3552 179.5036 43 A 4.0898 7.8729 118.8358 55.0828 18.6202 179.1291 44 E 3.8896 8.2021 117.8455 59.8195 29.7605 179.1490 45 E 4.0829 8.3570 118.1553 59.3980 29.5003 179.0929 46 H 4.2833 8.0519 116.8278 58.6754 28.6531 177.7777 47 L 4.1040 8.1012 120.9982 57.6960 41.4760 179.5587 48 K 3.9558 8.2687 118.2768 59.3479 31.8352 179.2998 49 A 3.9987 7.9064 120.7696 55.1472 18.3201 179.7345 50 L 3.9221 7.9003 116.8550 57.7815 41.7779 179.6199 51 A 4.3723 8.2173 122.3861 54.5859 18.0688 179.9294 52 R 4.0021 7.7630 116.0620 59.2276 30.2180 179.0832 53 K 4.1694 8.2142 117.9917 57.1948 32.1151 177.6081 54 G 3.8686 7.6961 105.5969 46.2619 0.0000 174.4854 55 V 4.3344 7.8952 114.7345 61.2334 33.7316 176.0445 56 I 5.2623 7.7438 112.2678 58.8768 41.7644 173.8945 57 E 4.7633 9.2560 123.2904 54.4780 32.5984 174.3103 58 I 4.8288 8.3661 127.5461 59.7860 38.9723 175.4789 59 V 3.8709 8.4737 128.8426 61.9043 32.3123 175.4836 60 S 4.0619 8.6168 123.9388 59.6398 62.8486 172.0835 61 G 4.2244 9.0834 116.3527 45.5783 0.0000 173.9507 62 A 4.1224 7.0960 121.3582 51.4579 18.8817 177.4059 63 S 4.2573 8.5437 117.6030 59.4219 63.8299 174.0621 64 R 3.7818 8.5555 120.4149 57.4825 28.2392 177.5118 65 G 3.9842 7.8251 103.1728 45.3413 0.0000 173.8081 66 I 5.0063 7.4640 118.6280 59.8746 40.4120 176.4748 67 R 4.5794 9.0586 127.4588 54.4472 32.1588 175.6794 68 L 4.6754 8.4919 124.4066 54.1136 42.5690 176.2509 69 L 4.1599 8.7594 125.4928 53.9099 42.1731 177.0227 *75 G 3.9005 8.3796 112.8970 45.2002 0.0000 171.5837 76 L 4.2445 8.1732 121.7930 54.4080 42.7930 174.9586 77 P 4.8405 0.0000 0.0000 62.0123 33.5788 175.0864 78 L 4.9816 9.1872 126.4712 54.6737 42.1928 176.9195 79 V 4.0536 9.3188 119.6731 61.1624 32.1629 177.9860 80 G 4.0157 7.0374 108.7467 45.7253 0.0000 171.3591 81 R 5.2899 8.1487 122.3041 54.2857 33.1449 175.7836 82 V 4.4745 8.4505 122.1408 59.7498 34.3003 174.6097 83 A 4.4639 8.9799 126.5515 50.8612 19.7423 177.5253 84 A 4.4242 8.8387 125.8255 50.8452 17.7973 175.9056 85 G 4.1200 8.3695 114.9758 46.0486 0.0000 173.7156 86 E 4.3310 7.9746 119.6591 54.4474 30.4365 174.7082 87 P 4.3251 0.0000 0.0000 62.6054 32.0092 176.4595 88 L 4.2206 8.0094 123.0831 53.8721 43.7665 175.4436 *94 I 3.9880 7.9352 111.5226 61.0982 38.3809 173.5059 95 E 4.5639 9.0706 123.1027 57.1339 32.5826 175.8385 96 G 4.4749 7.8549 103.2109 45.7780 0.0000 169.9619 97 H 5.4185 8.5742 116.0366 54.0117 31.9140 173.5399 98 Y 4.5079 8.8258 119.6449 56.1714 41.0124 175.4722 99 Q 4.6649 8.8917 127.1117 55.0602 27.1968 173.9912 100 V 4.5684 7.6686 121.0134 59.9937 34.8493 174.3682 101 D 4.4789 8.7677 126.8375 53.9623 42.0098 174.4180 102 P 4.5594 0.0000 0.0000 65.6638 31.6749 177.8352 103 S 4.5622 7.9953 110.2425 58.5076 62.6983 174.8374 104 L 3.9675 7.8776 123.6514 56.7392 42.1306 176.2926 105 F 4.7831 7.8886 115.5519 55.4907 41.5327 174.8601 106 K 4.3748 8.3301 122.0339 54.0488 33.4573 174.1935 107 P 4.5340 0.0000 0.0000 61.3522 32.2095 176.1046 108 N 4.5083 8.5256 116.5079 53.8584 38.8007 175.2584 109 A 4.1880 8.3937 125.5187 52.3089 19.1662 176.7153 110 D 5.0351 8.7877 121.3701 55.3370 43.3795 176.1914 111 F 5.0195 7.2251 111.1581 55.7321 42.0118 173.0624 112 L 5.2154 9.3968 118.6220 52.8948 45.1600 175.9474 113 L 5.1932 8.6665 121.8933 52.7575 45.6692 175.7533 114 R 4.4032 8.7740 124.7363 55.8980 31.2655 175.6622 115 V 4.1042 9.2893 128.5872 62.9536 33.0422 174.6334 116 S 4.9714 9.4094 123.5014 60.4923 64.1516 172.2740 117 G 4.2913 8.1698 112.7428 42.9907 0.0000 171.8678 118 M 4.7673 8.0594 116.9139 54.9452 33.0697 177.5958 119 S 3.3604 7.5731 115.7567 60.0474 63.5710 174.9070 120 M 4.7548 7.4127 120.9764 54.6636 32.8578 178.0780 121 K 3.9875 8.2060 121.6213 59.8268 32.3630 178.4115 122 D 4.5224 8.5680 118.5640 56.2202 40.7937 177.5838 123 I 4.2838 7.6620 111.7009 60.4672 37.7788 176.2464 124 G 3.7868 8.2738 107.1895 46.5551 0.0000 173.9938 125 I 4.1704 7.3664 120.5879 59.9802 37.5532 175.2020 126 M 4.5950 9.0390 125.4590 52.7110 34.6036 175.0662 127 D 4.3909 8.4029 119.9868 57.0387 41.2115 176.1722 128 G 4.0921 8.9714 115.7066 45.1746 0.0000 173.2616 129 D 4.4721 8.0527 120.4691 54.3113 42.4613 175.7750 130 L 4.5784 8.8733 123.1724 53.5526 42.9163 175.6366 131 L 4.6286 9.1634 128.6955 53.9548 43.3503 175.5345 132 A 4.1228 8.7029 129.8974 51.4979 19.6596 176.1376 133 V 4.4048 8.0888 122.5451 61.0546 35.0618 173.6566 134 H 4.8441 8.9041 128.0425 54.2279 31.3363 173.6608 135 K 4.4049 8.8376 128.3379 57.6331 32.2623 175.6365 136 T 4.5673 8.2811 120.8046 61.7363 70.7977 173.8047 137 Q 4.3259 8.7791 123.1369 56.2894 30.2621 175.9557 138 D 4.6872 7.8681 117.8789 53.1400 39.7608 175.7851 139 V 4.4624 7.8694 116.2915 59.3822 35.0367 176.3459 140 R 4.4125 8.4521 122.6761 54.8740 31.2871 175.8790 141 N 4.5647 8.3009 116.9643 54.7400 38.9989 175.8937 142 G 4.0174 9.2147 110.8061 45.2460 0.0000 173.8607 143 Q 4.3953 7.3899 117.5600 54.9968 30.8431 175.4606 144 V 4.3121 8.3208 122.8038 62.7173 32.8104 175.0851 145 V 4.8002 9.0458 128.0701 59.9383 34.9107 175.2442 146 V 4.2328 8.7360 123.1360 61.7520 32.0738 174.2168 147 A 5.0066 9.1082 130.2235 49.8376 22.6500 174.7486 148 R 4.9875 8.3321 120.5658 54.5251 32.8331 174.7065 149 I 4.4096 8.3983 127.7100 58.5175 39.3139 175.5312 150 D 4.5359 9.1536 128.6560 54.6483 37.8967 173.5673 151 D 4.3207 7.9789 110.7903 54.9077 39.0907 173.9670 152 E 4.4212 7.6524 119.8986 53.9435 31.0373 174.9263 153 V 4.1476 8.1608 127.4227 63.1964 32.9703 174.8313 154 T 5.2085 9.7451 125.0363 61.6994 72.8281 172.9662 155 V 4.8773 8.4848 125.4701 60.1900 33.3452 174.8228 156 A 4.4581 8.4095 125.1546 51.0462 23.6746 174.3962 157 R 4.6464 9.0689 120.2409 55.6925 31.4846 175.4184 158 L 4.4670 8.8592 129.3026 55.1014 43.6484 176.0085 159 K 4.9395 8.7470 126.6697 55.1774 33.6891 173.2833 160 K 4.5081 8.4876 123.1239 54.7378 34.1314 177.5258 161 Q 4.5843 8.4943 122.4722 54.8070 30.9407 176.2872 162 G 3.8574 8.2653 113.7336 46.5564 0.0000 174.9571 163 N 4.3951 9.1774 126.4471 54.2954 39.5690 173.8444 164 K 4.7789 7.8189 120.5551 54.6878 34.2802 175.0083 165 V 4.6775 8.7897 127.9499 61.1462 34.3895 173.7799 166 E 4.9198 9.1247 128.2114 55.0522 31.7328 175.2392 167 L 4.7028 9.0421 125.1807 53.0836 43.6126 175.2356 168 L 4.7383 8.9572 125.7927 53.3836 43.0136 175.3622 169 P 4.7420 0.0000 0.0000 61.6578 33.2912 176.1710 170 E 4.6182 8.2642 119.9715 53.6669 28.4235 174.9857 171 N 5.2350 7.2511 115.6137 53.4360 42.4752 175.4274 172 S 4.0061 8.8380 121.3647 61.3784 63.2890 175.4226 173 E 4.1448 8.7343 119.4108 58.1068 29.6512 177.0613 174 F 4.4344 7.6698 117.2656 56.3230 39.9264 175.2788 175 K 4.5751 8.3629 123.4726 54.7570 34.2891 174.4964 176 P 4.6049 0.0000 0.0000 62.7676 32.3225 175.9923 177 I 4.1355 8.5034 125.5275 60.7459 38.2807 174.9500 178 V 4.6010 8.4118 127.9534 61.4945 32.7051 174.9734 179 V 4.4761 9.0848 128.3174 61.0688 34.5940 173.3993 180 D 5.3154 8.5201 127.0508 52.5847 42.2008 176.7658 181 L 4.4909 8.5094 126.2665 57.0639 42.3174 179.4675 182 R 3.8838 8.0334 116.9404 57.9145 30.0668 177.0230 183 Q 4.5856 7.6566 112.0778 55.2966 30.5328 174.8463 184 Q 4.6505 8.1381 118.1974 53.8950 32.3823 174.3514 185 S 4.5658 8.5039 116.3718 58.2834 64.6906 172.7216 186 F 5.0316 8.6988 124.5365 56.8976 42.4233 173.7177 187 T 4.6764 8.0253 121.3403 61.8506 72.6226 173.1082 188 I 4.1423 8.5962 127.8227 61.3690 36.8920 175.7484 189 E 4.1419 9.3696 128.5721 58.0282 30.8210 177.3285 190 G 4.0221 7.3805 105.8260 45.1882 0.0000 170.3247 191 L 4.8250 7.8470 121.1213 53.0615 44.0227 175.5538 192 A 4.5480 8.5228 128.7164 52.2891 18.1422 177.4317 193 V 4.1244 8.3170 115.8911 61.5036 33.3466 176.0173 194 G 4.1681 7.0204 106.8717 46.1607 0.0000 172.0506 195 V 4.9934 8.4841 118.6509 61.0840 34.7917 174.3333 196 I 4.6095 9.0905 128.0771 59.4144 40.1400 174.3223 197 R 5.0002 8.6816 126.8559 54.6178 31.8011 174.8464 198 N 4.8900 9.3804 120.4417 51.3243 39.2213 174.4479 199 G 3.7390 8.5176 112.0258 45.4466 0.0000 173.5317 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 K 8.31 4.19 0.00 1.74 1.82 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.43 7.81 3 A 8.34 4.07 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.86 4.39 0.00 1.59 1.55 0.68 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.27 4.24 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 1.19 0.00 0.00 6 A 8.48 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.90 4.08 0.00 2.01 2.01 0.00 3.54 0.00 0.00 3.46 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.01 0.00 8 Q 7.95 4.01 0.00 2.36 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 9 Q 8.32 4.07 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 10 E 7.81 4.03 0.00 2.17 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 2.37 2.50 0.00 11 V 7.79 3.63 2.36 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 1.19 0.00 0.00 1.26 0.00 0.00 12 F 8.31 4.09 0.00 3.22 3.24 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 13 D 8.70 4.37 0.00 3.05 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 14 L 7.79 3.93 0.00 1.90 1.81 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.82 3.63 1.80 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.87 0.83 0.00 0.00 16 R 7.56 3.75 0.00 1.57 1.89 0.00 3.03 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 17 D 8.02 4.32 0.00 2.88 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 18 H 8.64 4.23 0.00 3.24 3.27 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.82 3.77 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.81 0.87 0.00 0.00 20 S 7.72 4.14 0.00 3.87 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 21 Q 7.74 4.31 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.56 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 22 T 8.34 4.25 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 1.09 0.00 0.00 23 G 9.37 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 0.00 0.00 0.00 24 M 7.25 4.80 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 25 P 0.00 4.41 0.00 2.23 2.03 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 26 P 0.00 4.78 0.00 2.13 1.91 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 27 T 8.66 4.34 4.25 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 1.26 0.00 0.00 28 R 8.52 3.91 0.00 1.94 2.06 0.00 3.20 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.80 0.00 29 A 7.94 4.08 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.11 3.90 0.00 2.25 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 31 I 7.99 3.60 2.04 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 1.44 1.07 0.97 0.00 0.00 32 A 7.99 3.98 1.55 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 33 Q 8.15 3.88 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 34 R 7.72 4.13 0.00 1.79 1.88 0.00 3.00 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 35 L 7.45 4.10 0.00 0.45 0.85 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 36 G 6.92 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 0.00 0.00 0.00 37 F 7.52 4.74 0.00 3.02 2.94 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 38 R 8.70 4.20 0.00 1.84 2.01 0.00 3.17 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 39 S 7.76 4.72 0.00 3.80 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 40 P 0.00 4.42 0.00 2.22 2.11 0.00 3.67 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 2.13 2.16 0.00 41 N 8.06 4.33 0.00 2.78 2.79 0.00 0.00 6.90 8.65 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 42 A 7.75 3.74 0.75 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 0.00 0.00 43 A 7.87 4.09 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 44 E 8.20 3.89 0.00 2.12 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 0.00 2.32 2.41 0.00 45 E 8.36 4.08 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 46 H 8.05 4.28 0.00 3.49 3.43 0.00 5.81 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.10 4.10 0.00 1.94 1.75 0.96 0.84 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 48 K 8.27 3.96 0.00 1.99 1.87 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.63 7.81 49 A 7.91 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.90 3.92 0.00 1.94 1.81 1.05 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.22 4.37 1.41 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 0.00 0.00 52 R 7.76 4.00 0.00 2.03 2.00 0.00 3.16 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 53 K 8.21 4.17 0.00 1.79 1.82 0.00 1.58 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.57 7.81 54 G 7.70 3.87 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 0.00 0.00 0.00 55 V 7.90 4.33 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.94 0.00 0.00 56 I 7.74 5.26 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.02 1.13 0.00 0.00 57 E 9.26 4.76 0.00 2.01 1.81 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 2.20 2.26 0.00 58 I 8.37 4.83 1.89 0.00 0.00 0.89 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 2.51 2.72 0.00 127 D 8.40 4.39 0.00 2.74 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.97 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 0.00 129 D 8.05 4.47 0.00 2.76 2.56 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 0.00 130 L 8.87 4.58 0.00 1.47 1.41 0.26 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 131 L 9.16 4.63 0.00 1.65 1.61 0.91 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 132 A 8.70 4.12 0.41 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 0.00 0.00 133 V 8.09 4.40 0.67 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 0.55 0.00 0.00 0.73 0.00 0.00 134 H 8.90 4.84 0.00 3.22 3.09 0.00 5.84 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 8.84 4.40 0.00 2.04 1.87 0.00 1.97 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.53 7.81 136 T 8.28 4.57 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 1.31 0.00 0.00 137 Q 8.78 4.33 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.60 0.00 138 D 7.87 4.69 0.00 2.71 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 0.00 139 V 7.87 4.46 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 0.77 0.00 0.00 0.98 0.00 0.00 140 R 8.45 4.41 0.00 1.90 1.85 0.00 3.13 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 141 N 8.30 4.56 0.00 2.69 2.75 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 0.00 142 G 9.21 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 0.00 0.00 0.00 143 Q 7.39 4.40 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 144 V 8.32 4.31 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.92 0.00 0.00 145 V 9.05 4.80 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 0.70 0.00 0.00 1.01 0.00 0.00 146 V 8.74 4.23 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 0.89 0.00 0.00 147 A 9.11 5.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 R 8.33 4.99 0.00 1.72 1.61 0.00 3.04 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.00 149 I 8.40 4.41 1.85 0.00 0.00 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 1.17 1.54 0.97 0.00 0.00 150 D 9.15 4.54 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 0.00 151 D 7.98 4.32 0.00 2.81 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 0.00 152 E 7.65 4.42 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 153 V 8.16 4.15 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 0.88 0.00 0.00 0.89 0.00 0.00 154 T 9.75 5.21 4.19 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 1.23 0.00 0.00 155 V 8.48 4.88 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 0.68 0.00 0.00 0.94 0.00 0.00 156 A 8.41 4.46 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.07 4.65 0.00 1.86 1.81 0.00 3.09 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 158 L 8.86 4.47 0.00 1.85 1.61 1.02 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.75 4.94 0.00 1.87 1.72 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.38 7.81 160 K 8.49 4.51 0.00 1.68 1.69 0.00 1.52 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.63 1.42 7.81 161 Q 8.49 4.58 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.70 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 162 G 8.27 3.86 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 0.00 163 N 9.18 4.40 0.00 2.77 2.99 0.00 0.00 6.36 6.93 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 0.00 164 K 7.82 4.78 0.00 1.80 1.64 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.39 7.81 165 V 8.79 4.68 1.68 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 0.46 0.00 0.00 0.54 0.00 0.00 166 E 9.12 4.92 0.00 2.08 1.85 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 2.27 2.27 0.00 167 L 9.04 4.70 0.00 1.70 1.65 1.07 0.57 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 0.00 168 L 8.96 4.74 0.00 1.76 1.59 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 169 P 0.00 4.74 0.00 2.17 2.03 0.00 3.76 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 2.03 2.25 0.00 170 E 8.26 4.62 0.00 1.96 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 2.21 2.34 0.00 171 N 7.25 5.24 0.00 2.89 2.87 0.00 0.00 7.70 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 0.00 172 S 8.84 4.01 0.00 3.93 3.93 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 0.00 173 E 8.73 4.14 0.00 2.00 1.79 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 2.28 2.27 0.00 174 F 7.67 4.43 0.00 3.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 K 8.36 4.58 0.00 1.89 1.82 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.50 7.81 176 P 0.00 4.60 0.00 1.99 2.05 0.00 3.70 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 2.05 2.15 0.00 177 I 8.50 4.14 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.67 0.97 0.00 0.00 178 V 8.41 4.60 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 0.76 0.00 0.00 0.95 0.00 0.00 179 V 9.08 4.48 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 1.14 0.00 0.00 1.11 0.00 0.00 180 D 8.52 5.32 0.00 2.78 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 L 8.51 4.49 0.00 1.69 1.69 0.79 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 182 R 8.03 3.88 0.00 1.78 1.98 0.00 3.10 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 183 Q 7.66 4.59 0.00 1.92 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.62 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 184 Q 8.14 4.65 0.00 2.35 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 7.05 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 185 S 8.50 4.57 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 0.00 186 F 8.70 5.03 0.00 3.03 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 0.00 187 T 8.03 4.68 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 1.20 0.00 0.00 188 I 8.60 4.14 1.94 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.86 1.03 0.00 0.00 189 E 9.37 4.14 0.00 2.11 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 0.00 2.26 2.38 0.00 190 G 7.38 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 0.00 0.00 0.00 191 L 7.85 4.82 0.00 1.77 1.53 1.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 192 A 8.52 4.55 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 0.00 193 V 8.32 4.12 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 0.75 0.00 0.00 0.60 0.00 0.00 194 G 7.02 4.17 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 0.00 0.00 0.00 195 V 8.48 4.99 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 0.86 0.00 0.00 0.90 0.00 0.00 196 I 9.09 4.61 1.79 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 1.20 0.62 0.88 0.00 0.00 197 R 8.68 5.00 0.00 1.76 1.76 0.00 3.17 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.68 0.00 198 N 9.38 4.89 0.00 2.84 2.86 0.00 0.00 6.27 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 G 8.52 3.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.