NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3727 8.1133 119.7184 55.7840 31.9561 176.0726 3 L 4.0668 8.4957 117.8170 57.8003 41.4674 177.8946 4 A 4.0185 8.8794 121.4574 55.4711 18.6750 178.8542 5 D 4.3432 8.1399 116.7267 57.4287 41.0406 178.6744 6 L 3.9256 8.0164 120.7238 58.1445 42.0786 179.0503 7 S 4.2408 8.4007 114.7063 60.9058 62.2175 176.0265 8 K 3.9611 8.2573 121.3073 59.6063 31.9949 178.6754 9 R 4.1210 8.3060 118.1632 58.5043 30.1062 178.2986 10 S 4.5033 8.0222 112.4539 58.1316 63.6164 175.4459 11 G 3.8475 8.0480 109.7195 45.6384 0.0000 172.9914 12 V 4.2297 7.4747 120.3117 60.3932 32.7601 175.3890 13 S 4.2268 8.6633 121.4169 59.1770 62.6698 175.3482 14 T 3.9867 8.5390 115.5813 64.0341 67.0192 176.0801 15 A 3.9584 7.6992 122.2113 55.7774 19.1995 179.2480 16 T 3.5730 7.3979 113.9665 66.6978 68.3016 176.9381 17 I 3.7325 7.4769 121.3771 64.3761 37.2144 178.3007 18 K 3.9751 7.5724 120.0732 59.6247 31.9115 178.1779 19 Y 4.0653 8.0359 119.9623 60.9329 38.5983 177.5229 20 Y 4.2269 8.0256 117.9390 60.7691 37.7612 178.3845 21 L 4.2824 8.5465 122.0961 57.3593 41.6508 179.7051 22 R 4.0510 7.7401 113.7395 58.4712 29.7040 177.7697 23 E 4.0574 7.8226 118.0234 56.9419 29.7135 177.6216 24 G 3.9866 7.6408 107.6563 45.1346 0.0000 174.7794 25 L 3.9808 7.6784 118.7712 56.4157 42.1410 176.9353 26 L 4.6515 7.5985 120.7596 52.0229 44.0412 174.0346 27 P 4.5435 0.0000 0.0000 61.6680 31.9634 174.5066 28 P 4.4960 0.0000 0.0000 62.8405 31.8536 176.5997 29 G 3.7049 8.3657 108.9371 44.6591 0.0000 172.4879 *39 Y 4.3320 8.1002 116.2473 57.9872 38.0521 174.7044 40 D 4.9521 8.4752 125.2965 51.5721 42.1665 176.9570 41 E 4.0352 8.5784 117.1776 59.4730 29.1846 179.1065 42 D 4.3652 8.2201 118.8876 57.3613 40.9612 178.1838 43 H 4.1275 8.4091 117.0580 58.4886 28.5698 177.6077 44 L 3.8922 7.7091 122.2718 58.3440 42.0417 179.2090 45 R 3.8704 8.0931 118.0666 59.1279 29.8744 179.0714 46 R 3.7956 8.0360 118.4797 59.2415 30.0830 178.1736 47 L 3.8336 7.8135 120.0687 58.3828 42.0858 179.0759 48 R 3.8978 8.2018 118.1145 59.2696 29.9284 178.8150 49 L 3.9088 7.8987 120.0282 57.9801 42.0564 179.1515 50 V 3.3987 7.7446 118.3095 66.1343 31.3898 178.3239 51 R 3.9548 8.1472 117.5685 59.0586 29.7568 178.9721 52 A 4.0084 8.0130 120.7970 54.9370 18.2743 179.7288 53 L 3.8820 8.0561 117.6632 57.8974 41.3736 179.8688 54 I 3.9061 7.8191 119.5881 64.4464 37.0140 178.5657 55 Q 3.9986 8.2225 117.6727 58.9532 28.7385 177.7969 56 V 3.8808 7.6100 117.3359 65.0353 32.0903 177.1784 57 G 3.6684 8.2196 107.0214 45.9448 0.0000 173.5148 58 K 3.9933 7.8402 117.0259 56.3358 29.6055 175.1692 59 V 4.0099 7.8489 118.4586 61.2446 32.3995 174.6043 60 P 4.4561 0.0000 0.0000 62.2752 33.2202 177.4726 61 V 3.6231 8.5078 120.1007 66.3702 31.0698 178.3078 62 A 4.0108 8.0448 119.8020 55.5543 18.2362 179.6577 63 T 3.8588 7.8696 113.4842 66.7122 68.6346 176.7441 64 A 4.0096 8.4092 123.1444 55.0773 18.3031 179.6467 65 R 3.7681 8.1688 117.4257 59.5063 30.2559 178.4547 66 E 3.8648 7.9166 118.6977 59.0502 29.6509 178.7933 67 V 3.6301 7.7928 118.3084 66.2774 31.6009 178.1578 68 L 4.1386 8.1957 118.6204 57.4231 41.1277 179.7208 69 G 3.5333 7.6947 105.4143 48.0744 0.0000 175.2274 70 H 4.3897 8.0831 118.2299 58.5289 28.5136 178.0470 71 V 3.6410 7.6117 119.3539 65.2938 31.3550 176.8149 72 D 4.9068 7.6896 116.0020 52.7544 41.0173 175.7081 73 D 4.3945 7.5490 120.9985 54.4038 41.0525 175.3143 74 D 4.7962 8.6928 125.6610 53.2125 39.6555 176.9229 75 S 4.6342 8.4272 113.2466 58.4836 63.7954 173.8351 76 L 4.8333 7.4140 119.9766 51.9730 45.5759 176.9800 77 G 3.7824 8.3245 107.3352 44.5279 0.0000 174.7514 78 R 3.8955 8.5000 121.4017 59.4758 29.6960 178.9274 79 T 3.7524 7.8679 109.1427 64.8398 68.6126 176.3277 80 V 3.3908 7.6026 120.3215 65.4122 31.6721 178.0696 81 R 3.8644 7.8367 117.8470 59.0045 29.7955 178.7164 82 L 3.9164 8.1126 120.4731 57.9349 42.0252 179.2573 83 G 2.6883 7.2430 105.0019 47.3984 0.0000 175.4094 84 A 3.8004 7.4106 122.0187 54.5775 18.5213 179.3198 85 A 4.0668 8.1438 119.5365 55.2350 18.4925 179.8215 86 L 3.9271 7.8263 117.6522 57.7818 41.5763 179.3046 87 W 4.7442 7.8695 115.0569 57.7297 29.2177 177.3548 88 A 4.4455 7.5731 120.2443 52.0063 18.8577 177.7262 89 L 4.2269 7.0479 117.2528 53.2706 42.4390 175.2359 90 P 4.2466 0.0000 0.0000 63.5953 31.6095 175.7576 91 Q 4.6497 8.2925 119.7029 54.0574 32.5838 174.2989 92 D 4.6664 8.2655 118.9719 52.8864 42.2108 176.4903 93 A 4.1906 8.0962 122.9731 52.1523 18.9574 177.3054 94 E 4.2244 8.3786 120.1618 55.0902 30.3913 175.3980 95 P 4.3944 0.0000 0.0000 62.3448 32.4784 175.8480 96 D 4.6005 8.2496 118.4164 52.6618 40.0120 176.2952 97 E 3.9450 8.7192 126.7301 59.0486 29.7169 178.9709 98 A 4.0615 8.0799 121.0157 54.4429 18.9810 177.5225 99 D 4.4092 8.3185 117.6839 53.6840 41.7427 175.4735 100 P 4.3102 0.0000 0.0000 65.8447 31.2069 178.4411 101 A 4.0337 9.2785 121.7293 54.8602 18.1752 179.7798 102 V 3.5459 7.8300 116.5310 65.8402 31.7105 178.1392 103 A 3.9485 7.9674 119.9030 55.1942 18.3649 179.2712 104 A 3.9519 8.0012 119.0364 55.2688 18.3451 179.7151 105 A 3.9891 8.0744 119.3071 55.3699 18.4344 180.0860 106 R 3.8720 8.2484 116.7670 59.2982 30.1063 179.5158 107 V 3.5896 7.7424 117.7299 66.0214 31.5335 177.9403 108 E 3.9592 8.2591 118.3453 59.4307 29.3142 179.5299 109 V 3.5447 8.0673 118.5124 66.0779 31.6540 177.6178 110 D 4.3767 8.1978 117.8110 57.3827 40.9579 178.4432 111 R 3.9434 8.0931 118.7900 58.8346 29.9579 178.7611 112 L 3.8118 7.9482 120.3175 58.2464 42.1536 179.1660 113 L 3.8420 7.9463 118.7770 57.3975 40.9340 179.2734 114 E 3.9252 7.9843 119.4196 59.2228 29.4108 178.8315 115 L 3.9740 7.8353 118.0309 57.8230 41.8109 179.2384 116 L 4.1109 7.9525 117.5574 55.3552 41.4635 178.1557 117 G 3.9766 7.4176 105.6485 46.4741 0.0000 175.6021 118 W 4.7736 8.0223 121.4357 55.3574 25.5532 176.7140 119 E 4.1904 8.1073 122.0018 59.6754 29.5517 179.0917 120 T 3.9383 7.9833 115.3551 66.8637 68.5850 176.7115 121 S 4.3301 7.9447 115.6360 61.6438 62.6020 176.9750 122 R 4.0746 7.7164 120.0687 58.9131 29.8182 178.3095 123 E 4.2560 7.9879 117.6222 58.3711 29.9375 178.1196 124 L 4.4364 7.9881 117.2445 55.6761 41.3279 178.2681 125 A 3.7338 7.8459 121.7812 55.0762 17.9647 177.8145 126 P 4.4140 0.0000 0.0000 64.7876 31.4511 177.1375 127 L 4.3892 6.9981 115.1028 54.1185 44.0816 177.1188 128 S 2.7900 7.7339 114.5585 57.2881 63.0159 172.9052 129 P 4.1433 0.0000 0.0000 65.2863 31.1447 178.7075 130 V 3.5742 7.3837 118.2626 66.0213 31.5557 177.1063 131 H 4.0650 8.2483 118.0679 59.3777 29.6524 177.0234 132 R 3.8916 7.8552 120.2794 59.7817 29.8083 178.6574 133 S 4.1339 8.0576 114.7731 61.2013 62.6343 176.5245 134 L 3.8945 7.6143 123.2348 57.9638 41.8866 178.9599 135 V 3.5263 7.6345 118.2613 66.1247 31.3127 178.1325 136 V 3.5444 8.1287 117.9735 65.9389 31.1610 177.8530 137 A 3.8867 8.1027 120.5835 55.1500 18.2355 179.8332 138 V 3.4479 8.1043 116.9048 65.9860 31.6090 178.1558 139 A 4.0276 8.1445 120.4160 54.9241 17.6446 179.5153 140 A 3.9513 7.7456 119.6878 55.1791 18.3875 179.9354 141 L 3.9250 7.5514 117.5090 58.0607 41.6332 179.9758 142 R 4.2703 8.0867 119.3547 58.6665 29.7327 179.0824 143 R 3.9795 7.9955 117.8830 58.7271 30.0308 177.4619 144 L 4.4878 7.2862 116.1071 53.7690 41.9349 175.9994 145 D 4.4104 8.1197 117.5166 55.6277 38.9317 173.2211 146 Y 4.5388 8.0776 117.6090 55.7626 39.2951 176.1195 147 P 4.6593 0.0000 0.0000 62.2546 29.8113 178.2018 148 W 4.1622 8.1852 118.3282 57.0367 28.7906 175.5569 149 D 5.0253 8.1176 122.2540 50.6503 42.1103 175.6462 150 A 4.1091 9.2056 122.3937 55.5066 18.2698 178.9099 151 E 4.0196 8.2081 111.7390 59.5339 29.4787 178.4761 152 L 3.9338 7.8956 118.4511 55.1380 41.8067 177.5042 *154 A 4.3182 8.1787 120.6271 51.2473 20.4983 178.1419 155 P 4.2156 0.0000 0.0000 65.8764 31.0653 178.5069 156 Y 4.1727 7.9276 114.3811 60.9087 37.9398 178.2003 157 G 3.8280 8.1306 105.1818 47.9115 0.0000 175.0278 158 E 4.3950 8.0229 119.9873 58.4921 31.1168 179.0628 159 L 4.2734 7.6610 120.5185 55.1576 37.9985 176.8862 *162 E 4.2534 7.9998 122.5444 55.9935 32.1913 178.0224 163 V 3.5223 7.9487 117.7412 65.8117 31.5710 177.7241 164 A 4.2357 7.9054 121.3204 54.8428 18.1858 179.6213 165 R 3.8947 7.9632 115.8750 59.5144 30.1225 179.4316 166 R 3.9178 7.8965 117.8509 59.0312 29.7064 178.7154 167 D 3.9127 8.1732 118.8487 57.4355 40.6739 178.9425 168 L 4.1034 7.7813 117.8611 57.9106 41.5266 179.0004 169 D 4.5672 8.4085 119.1013 57.1606 40.6385 178.6064 170 F 4.3586 8.0720 117.0011 59.5174 38.9361 176.2859 *172 E 4.3462 8.1598 118.4060 55.7171 31.4169 177.3779 173 T 4.0905 7.1685 105.9813 63.5689 70.0742 175.5010 174 H 4.0374 8.1311 121.8840 57.5527 30.2421 175.5508 175 A 4.6915 7.2977 121.4755 50.7727 19.2056 177.5722 176 S 4.4162 8.0023 116.4156 61.0767 63.1505 175.1879 177 E 4.3348 7.9176 117.2818 55.8620 29.7853 175.9840 178 A 4.1521 7.7358 122.7100 51.3919 19.0593 177.4041 179 E 4.0618 8.4327 121.6128 55.8748 30.4922 176.9404 180 K 3.9911 8.8196 125.8775 59.8409 32.5833 178.3095 181 V 3.6777 8.2299 117.6736 66.2219 31.6490 178.5292 182 E 4.0910 8.1185 115.4627 57.1806 29.2077 178.6113 *184 A 4.2518 8.1106 124.0518 52.2953 19.2242 180.0989 185 V 3.5812 7.9750 114.8798 65.9870 31.3814 178.1664 186 A 4.0484 7.9863 120.2321 55.1363 18.0449 179.5367 187 A 3.9184 7.9799 117.3187 55.0338 18.5753 179.2190 188 A 4.1676 7.7267 117.9741 54.3496 18.3295 178.5972 189 V 4.2770 7.1641 107.0241 61.5410 34.2853 177.7865 190 L 3.5930 8.0018 121.4945 57.3821 42.0281 177.5230 191 F 4.9512 7.5168 114.2654 57.5056 39.8896 177.4147 192 Q 4.0309 7.8727 121.7989 58.6609 28.4836 176.7996 193 P 4.2755 0.0000 0.0000 65.5954 31.3680 179.1046 194 V 3.7347 7.7826 117.5065 64.6943 31.5397 178.3241 195 L 4.0205 8.0316 119.6534 57.3774 41.3688 179.3827 196 R 3.9213 8.3390 118.7750 59.2398 29.9688 178.3949 197 A 4.0002 8.0184 120.6116 55.2391 18.3857 179.5696 198 L 3.9264 8.1480 117.6487 58.1752 41.6446 179.3551 199 H 4.1888 8.3616 118.0922 59.4087 29.8618 177.5490 200 R 3.8665 8.3704 120.3123 59.2091 29.8204 178.8656 201 L 4.0018 8.3345 120.2265 57.8284 41.9724 178.8569 202 A 4.0042 8.1261 121.0740 55.1597 18.3230 179.6422 203 Q 3.9090 8.2021 116.7038 58.9016 28.7205 178.5626 204 E 3.8870 8.1534 120.3443 59.2158 29.7306 178.3187 205 E 3.8813 8.4601 119.6889 59.4907 29.6839 178.4949 206 E 3.8902 8.3966 119.3798 59.3728 29.5897 178.9178 207 S 3.9948 8.7661 115.3893 61.2846 62.7575 176.5663 208 A 3.9851 8.0971 123.7732 55.1054 17.9064 179.9417 209 R 3.7881 7.5858 115.4325 59.5268 30.2506 179.2553 210 R 3.8659 7.5890 116.4485 58.4531 30.1043 177.1335 211 Y 4.6085 7.7409 114.6194 57.2660 39.9385 176.7943 212 G 3.9675 8.7225 107.3483 46.1241 0.0000 172.9964 213 I 4.6497 8.0281 124.5098 59.6731 40.7845 174.5197 214 E 4.7849 8.5177 123.2437 54.4617 33.4478 175.0991 215 L 4.4935 8.1535 120.2973 53.6027 43.1448 177.0325 216 E 4.1485 8.5886 119.2150 56.8883 29.3736 177.1135 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 R 8.11 4.37 0.00 1.97 1.98 0.00 3.25 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 3 L 8.50 4.07 0.00 1.81 1.83 1.26 0.57 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 4 A 8.88 4.02 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 5 D 8.14 4.34 0.00 2.97 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.02 3.93 0.00 1.91 1.88 0.83 -0.08 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 7 S 8.40 4.24 0.00 3.91 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 8 K 8.26 3.96 0.00 1.80 1.88 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.49 7.81 9 R 8.31 4.12 0.00 1.94 1.98 0.00 3.21 0.00 0.00 3.29 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 10 S 8.02 4.50 0.00 4.08 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 11 G 8.05 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 0.00 0.00 0.00 12 V 7.47 4.23 2.14 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 1.08 0.00 0.00 1.07 0.00 0.00 13 S 8.66 4.23 0.00 4.00 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 14 T 8.54 3.99 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 1.21 0.00 0.00 15 A 7.70 3.96 1.27 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 0.00 0.00 0.00 16 T 7.40 3.57 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 0.63 0.00 0.00 17 I 7.48 3.73 1.87 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 1.46 0.86 0.87 0.00 0.00 18 K 7.57 3.98 0.00 1.77 2.02 0.00 1.56 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.54 7.81 19 Y 8.04 4.07 0.00 2.89 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 20 Y 8.03 4.23 0.00 3.18 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.55 4.28 0.00 1.89 1.76 1.09 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.74 4.05 0.00 1.97 2.06 0.00 3.08 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.64 0.00 23 E 7.82 4.06 0.00 1.87 1.83 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 1.61 1.47 0.00 24 G 7.64 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 25 L 7.68 3.98 0.00 1.52 1.51 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.60 4.65 0.00 1.62 1.52 0.90 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.54 0.00 2.05 1.97 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 28 P 0.00 4.50 0.00 2.22 2.10 0.00 3.79 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 2.03 1.99 0.00 29 G 8.37 3.70 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 0.00 0.00 0.00 *39 Y 8.10 4.33 0.00 2.95 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 40 D 8.48 4.95 0.00 2.94 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 41 E 8.58 4.04 0.00 2.00 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 2.41 2.35 0.00 42 D 8.22 4.37 0.00 2.97 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.41 4.13 0.00 3.44 3.19 0.00 5.81 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 44 L 7.71 3.89 0.00 1.70 1.84 0.91 0.97 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 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0.00 0.00 0.00 0.00 2.48 2.40 0.00 120 T 7.98 3.94 4.28 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 1.24 0.00 0.00 121 S 7.94 4.33 0.00 4.38 4.15 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 0.00 0.00 0.00 122 R 7.72 4.07 0.00 1.96 2.04 0.00 3.27 0.00 0.00 3.55 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.03 0.00 123 E 7.99 4.26 0.00 2.16 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 2.64 0.00 124 L 7.99 4.44 0.00 1.87 2.07 1.09 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.85 3.73 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 0.00 126 P 0.00 4.41 0.00 2.02 2.11 0.00 3.76 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 2.03 2.16 0.00 127 L 7.00 4.39 0.00 1.71 1.52 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 128 S 7.73 2.79 0.00 3.73 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.14 0.00 2.34 2.07 0.00 2.20 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 130 V 7.38 3.57 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 1.10 0.00 0.00 1.05 0.00 0.00 131 H 8.25 4.07 0.00 3.31 3.42 0.00 5.85 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 0.00 132 R 7.86 3.89 0.00 1.88 2.05 0.00 3.10 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 133 S 8.06 4.13 0.00 4.05 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 0.00 134 L 7.61 3.89 0.00 1.71 1.79 0.93 1.20 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 0.00 135 V 7.63 3.53 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 0.93 0.00 0.00 0.95 0.00 0.00 136 V 8.13 3.54 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 0.92 0.00 0.00 0.95 0.00 0.00 137 A 8.10 3.89 1.27 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 0.00 0.00 0.00 138 V 8.10 3.45 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 1.06 0.00 0.00 1.00 0.00 0.00 139 A 8.14 4.03 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 0.00 140 A 7.75 3.95 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 0.00 141 L 7.55 3.93 0.00 1.68 1.56 -0.47 0.36 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 0.00 142 R 8.09 4.27 0.00 1.90 2.02 0.00 3.20 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 143 R 8.00 3.98 0.00 2.05 2.12 0.00 3.25 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 144 L 7.29 4.49 0.00 2.03 1.97 0.95 1.10 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 0.00 145 D 8.12 4.41 0.00 2.60 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 0.00 146 Y 8.08 4.54 0.00 3.27 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 0.00 147 P 0.00 4.66 0.00 2.22 2.17 0.00 3.97 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 148 W 8.19 4.16 0.00 3.28 3.30 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 0.00 149 D 8.12 5.03 0.00 3.02 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 0.00 150 A 9.21 4.11 1.38 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 0.00 0.00 151 E 8.21 4.02 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.22 0.00 152 L 7.90 3.93 0.00 1.53 1.62 0.65 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 *154 A 8.18 4.32 1.31 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 0.00 0.00 0.00 0.00 0.00 155 P 0.00 4.22 0.00 1.89 1.95 0.00 3.74 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 1.98 2.08 0.00 156 Y 7.93 4.17 0.00 2.94 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 0.00 157 G 8.13 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 E 8.02 4.40 0.00 2.15 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 2.56 2.50 0.00 159 L 7.66 4.27 0.00 1.97 1.69 0.82 0.81 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 *162 E 8.00 4.25 0.00 2.05 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 0.00 2.28 2.31 0.00 163 V 7.95 3.52 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 1.01 0.00 0.00 0.97 0.00 0.00 164 A 7.91 4.24 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 R 7.96 3.89 0.00 2.01 1.99 0.00 3.13 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 166 R 7.90 3.92 0.00 1.98 1.87 0.00 3.09 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 167 D 8.17 3.91 0.00 2.83 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 0.00 168 L 7.78 4.10 0.00 1.64 1.75 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 169 D 8.41 4.57 0.00 2.93 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 0.00 170 F 8.07 4.36 0.00 3.11 3.30 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 *172 E 8.16 4.35 0.00 2.32 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 2.28 2.36 0.00 173 T 7.17 4.09 4.20 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 1.25 0.00 0.00 174 H 8.13 4.04 0.00 2.35 2.60 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 A 7.30 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 S 8.00 4.42 0.00 3.95 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 0.00 177 E 7.92 4.33 0.00 1.93 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 2.21 2.21 0.00 178 A 7.74 4.15 1.27 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 0.00 0.00 0.00 179 E 8.43 4.06 0.00 1.91 1.83 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 2.26 2.24 0.00 180 K 8.82 3.99 0.00 1.75 1.84 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.37 7.81 181 V 8.23 3.68 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 0.94 0.00 0.00 0.90 0.00 0.00 182 E 8.12 4.09 0.00 2.20 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 2.28 2.38 0.00 *184 A 8.11 4.25 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 V 7.98 3.58 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 0.97 0.00 0.00 0.91 0.00 0.00 186 A 7.99 4.05 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 0.00 187 A 7.98 3.92 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 0.00 188 A 7.73 4.17 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 0.00 189 V 7.16 4.28 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 0.78 0.00 0.00 0.93 0.00 0.00 190 L 8.00 3.59 0.00 1.43 0.63 0.77 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 191 F 7.52 4.95 0.00 3.16 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 0.00 192 Q 7.87 4.03 0.00 1.95 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 193 P 0.00 4.28 0.00 2.17 2.11 0.00 3.60 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 2.11 2.15 0.00 194 V 7.78 3.73 2.14 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 0.99 0.00 0.00 0.94 0.00 0.00 195 L 8.03 4.02 0.00 2.16 1.80 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 196 R 8.34 3.92 0.00 1.94 2.16 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 197 A 8.02 4.00 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 0.00 198 L 8.15 3.93 0.00 1.87 1.75 0.91 1.06 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 0.00 199 H 8.36 4.19 0.00 3.24 3.48 0.00 5.59 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 0.00 200 R 8.37 3.87 0.00 2.02 1.97 0.00 3.19 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 201 L 8.33 4.00 0.00 1.85 1.84 0.92 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 202 A 8.13 4.00 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 0.00 203 Q 8.20 3.91 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 204 E 8.15 3.89 0.00 2.18 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 2.31 2.33 0.00 205 E 8.46 3.88 0.00 2.07 2.14 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 2.29 2.35 0.00 206 E 8.40 3.89 0.00 2.14 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 2.28 2.30 0.00 207 S 8.77 3.99 0.00 4.11 4.11 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 0.00 208 A 8.10 3.99 1.38 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 0.00 0.00 209 R 7.59 3.79 0.00 1.84 1.93 0.00 3.27 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 0.00 210 R 7.59 3.87 0.00 0.67 1.20 0.00 2.84 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 211 Y 7.74 4.61 0.00 3.05 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 G 8.72 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 0.00 213 I 8.03 4.65 1.89 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 1.46 0.76 0.93 0.00 0.00 214 E 8.52 4.78 0.00 1.90 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 2.31 0.00 215 L 8.15 4.49 0.00 1.63 1.59 0.92 0.92 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 0.00 216 E 8.59 4.15 0.00 1.96 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 2.32 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.