NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8050 8.2014 109.7337 45.4893 0.0000 176.4789 *2 G 3.9473 9.0604 117.1853 45.6504 0.0000 174.5723 3 T 3.6878 8.3383 117.5931 66.8729 68.2734 175.8342 4 D 4.3665 8.0533 119.9481 56.7412 39.2177 178.3050 5 K 3.7256 7.4020 119.8397 58.4346 32.0737 177.4575 6 F 4.6324 7.9181 114.7067 57.1518 39.6862 176.2210 7 N 4.6371 8.4970 117.8408 55.6297 38.5765 175.1685 8 N 5.1126 7.8121 114.8915 52.7071 39.7807 174.2883 9 I 4.1419 7.8274 117.1870 59.9076 39.4283 175.0181 10 K 4.2202 8.4522 124.4673 57.1808 33.9245 175.7330 11 I 4.6538 8.3494 123.8227 60.4848 38.0499 174.6410 12 D 5.0989 8.8255 127.5305 52.1074 44.0041 176.6656 13 K 4.4608 8.5091 121.0980 56.1976 33.2086 177.3648 14 Y 4.2040 8.9889 123.4927 61.2890 38.3711 178.5820 15 E 3.8480 8.2983 117.3103 59.6911 29.8927 178.7800 16 N 4.4779 8.0241 115.8462 56.2142 38.6511 177.3994 17 L 4.0115 7.8878 119.9961 57.4885 41.7625 179.4158 18 I 3.4769 7.1646 119.8872 64.7604 36.8464 177.8650 19 N 4.4438 7.4996 114.5863 55.6104 38.4001 177.0131 20 V 3.8985 7.7633 118.9520 63.5380 32.2513 176.3774 21 L 4.4191 6.8998 117.4391 54.4597 42.3667 176.4322 22 K 4.6966 9.6177 121.2232 54.2984 35.6642 176.1982 23 T 4.2526 8.1751 119.1407 65.5831 68.7366 174.6154 24 G 4.0470 9.1545 114.9258 45.2521 0.0000 173.7791 25 D 4.6949 8.0898 119.5237 54.8575 42.4173 175.4382 26 I 4.9532 8.6984 122.1685 59.7624 39.6036 174.7012 27 F 5.3176 9.3888 130.3154 57.4783 41.0593 174.4012 28 L 5.1574 8.4159 124.2530 53.2699 45.9568 175.2587 29 C 5.1334 8.9755 118.8207 58.2385 33.3133 173.2296 30 S 4.7861 9.2825 116.7735 56.6005 63.1730 173.4232 31 G 4.5105 9.4244 113.6813 44.3002 0.0000 171.0232 32 N 4.8118 7.9323 116.3878 52.9729 39.1350 175.9628 33 Y 4.2631 7.1887 116.8884 57.2504 40.0467 176.4752 34 L 3.9867 8.5582 122.0641 58.2966 41.8409 180.0622 35 V 3.6761 7.9313 117.4569 66.1232 31.3943 177.9810 36 S 4.2433 8.1296 114.3733 61.7263 62.7372 176.7115 37 K 3.9730 8.3944 121.3445 59.1793 31.7037 179.2179 38 L 3.9178 7.9513 120.7301 58.1919 42.1250 179.0081 39 I 3.5430 7.7802 119.7348 64.3907 37.0347 178.6207 40 K 3.9726 8.1718 119.2947 59.0954 31.4556 179.4499 41 K 3.8109 8.1236 119.9998 59.6497 32.0191 179.2413 42 V 3.5618 7.6455 117.2016 64.9419 31.4916 177.0125 43 S 4.2807 7.3774 111.1395 56.6482 64.8141 173.4863 44 E 3.8326 7.3685 120.9916 57.1098 27.7143 172.9284 45 S 3.9784 7.8073 120.0754 57.2769 65.1722 174.3334 *47 F 4.6246 8.6144 118.1464 57.3425 39.4371 174.4605 48 S 4.8204 8.9479 120.1908 58.9499 64.5090 173.7028 49 H 5.1385 8.0763 119.4972 55.2996 33.3491 171.6182 50 T 5.4372 7.3764 116.3752 60.9629 70.9119 172.2124 51 G 4.3177 8.3033 111.0798 46.1044 0.0000 171.5160 52 I 5.2327 8.4370 120.1646 59.3639 39.6969 176.1461 53 I 4.2263 8.9436 128.3201 61.1638 38.6274 175.2262 54 V 4.6373 9.1051 125.9470 61.0869 34.5205 174.2268 55 K 4.7334 9.2032 131.2120 56.0176 33.1580 177.5356 *56 W 4.4617 9.5294 127.4760 54.9926 29.3190 174.0621 57 G 4.2775 8.2366 119.6750 46.9645 0.0000 174.8230 58 E 4.2222 8.8277 120.6411 56.3767 30.1764 175.7265 59 H 4.8244 8.3210 116.8560 56.0348 30.1140 174.0557 60 T 4.8722 8.4722 120.1470 61.9620 70.6238 173.4725 61 L 5.1922 9.0555 126.3342 53.0418 46.0669 175.4927 62 I 4.8182 8.7532 121.5458 59.0498 41.7091 173.7059 *64 E 4.4608 8.4634 118.8165 56.3763 31.1733 174.7579 65 S 4.8068 8.2848 115.0751 56.7015 63.6729 172.9391 66 V 4.6438 8.5634 128.4096 60.9953 32.4715 176.2930 67 E 4.1627 9.1358 127.7144 58.8779 29.5583 177.2463 68 D 4.9183 8.0412 116.7550 52.7322 39.4917 176.2083 69 D 4.6084 7.7094 118.8315 53.3236 47.0496 177.3273 70 G 3.2207 7.3135 105.5815 45.2175 0.0000 171.2165 71 V 4.1478 7.1682 120.0936 61.9405 31.6529 175.2529 72 R 4.9291 8.7388 124.2490 54.2282 33.0897 174.4210 73 I 4.8568 8.1599 118.7024 59.4664 40.4773 174.5811 74 V 4.5799 8.7275 121.1123 59.1047 36.9041 172.6007 75 P 4.6678 0.0000 0.0000 62.3563 31.9879 177.5326 76 L 3.9837 8.7586 127.1861 59.1001 41.7680 179.6219 77 E 3.7734 8.5162 117.6751 61.6552 29.3665 181.8517 78 H 4.3883 8.4876 115.7881 59.4482 28.7860 177.4666 79 Y 4.1922 8.3872 118.3994 60.9146 37.2756 178.6769 80 I 3.8901 7.6112 120.3503 63.3871 37.2790 177.3448 81 K 4.4295 8.1331 116.6897 56.9738 34.7407 177.0385 82 N 5.0993 8.0703 117.4794 52.8367 40.2367 171.4321 83 Y 4.1509 9.5870 124.1789 56.4760 40.2319 174.7598 84 E 3.2016 8.7599 129.0762 57.5407 27.8419 173.8965 85 N 4.2477 7.7890 109.2660 54.3567 36.6579 176.0573 86 S 4.2861 7.9546 112.8992 58.4982 63.6128 174.2377 87 N 4.2491 8.7314 117.3983 54.1182 36.6665 173.0890 88 N 5.2053 7.9297 114.1441 51.0523 43.4936 173.9814 89 R 4.6000 8.5636 120.3315 55.8710 31.1231 175.4805 90 Y 3.9366 9.2282 125.8808 58.7154 40.0360 175.5113 91 N 4.6155 9.1002 126.3528 51.8424 38.1592 174.5092 92 G 4.4612 7.2365 109.1994 46.0160 0.0000 168.2533 93 S 5.0375 8.2246 113.9559 56.5151 66.3436 173.2369 94 L 4.9433 7.6270 119.1457 53.1016 45.6420 175.6018 95 F 5.4171 9.0766 120.2875 56.0448 44.0616 173.5031 96 I 5.2290 9.5304 121.2290 59.7864 40.6706 174.6088 97 A 5.4199 9.3155 126.7202 50.4553 23.5582 174.4862 98 R 4.9284 8.8008 117.7922 55.1307 34.1079 173.7459 99 H 4.9367 8.9499 125.2135 55.2217 31.2208 175.3051 100 E 3.9842 9.3361 128.1769 59.4957 29.6297 179.1934 101 L 4.0499 8.2836 116.9338 57.4203 41.7627 177.6895 102 L 4.5124 7.7972 116.1865 54.5645 41.8770 177.5792 103 Q 4.1768 7.9819 118.2235 58.4292 28.8589 176.6943 104 N 4.9873 7.9034 115.5905 52.5121 39.1640 174.9695 105 V 4.3629 7.4948 116.8106 60.8216 34.6437 174.4556 106 N 4.6465 8.5645 124.2667 52.3048 38.1257 175.6528 107 D 4.3811 8.7151 119.6846 56.8402 40.9688 177.2358 108 D 4.8982 7.7182 117.4031 52.6667 40.1120 176.1587 109 S 4.2552 8.1298 114.7705 58.9311 63.1405 174.6568 110 E 3.9532 8.4989 119.7278 57.1010 28.9722 178.3441 *112 I 3.9456 7.9901 122.5225 61.5765 39.3265 178.7279 113 R 3.8517 7.8647 121.4593 61.7523 29.1972 180.7763 114 N 4.4684 8.1413 117.5127 55.5788 38.4347 177.4379 115 L 3.6568 7.6099 121.4466 58.0634 42.2459 178.9593 116 I 3.1926 7.4216 119.6339 63.9178 36.8837 177.9179 117 K 3.7170 7.9410 120.8856 59.8189 31.6832 178.6683 118 V 3.6383 7.3817 116.6309 65.8391 31.7255 177.7939 119 G 3.8980 7.6579 104.9270 48.0447 0.0000 175.4782 120 F 4.6293 8.5136 121.3572 60.4383 38.7372 177.9815 121 S 4.2986 8.4860 112.8651 60.7508 62.8180 175.5491 122 L 4.5449 7.6755 120.4268 53.7019 42.1778 176.8181 123 L 4.1110 7.3526 120.1078 55.0229 41.9849 176.0475 124 N 5.1861 8.3165 120.8259 51.3772 40.0726 174.1233 125 S 4.6127 8.6077 112.2705 58.3059 63.5650 175.5526 126 G 3.9314 8.3522 104.4488 45.8756 0.0000 173.3539 127 Y 4.6728 8.3141 118.4372 56.8247 39.1732 176.2940 128 D 4.7423 9.6005 124.1308 52.5227 42.0350 177.8856 129 K 3.8934 8.4922 118.5765 59.6765 32.0377 178.7226 130 N 4.2545 8.2895 116.6543 57.1165 38.7276 176.5223 131 E 4.0845 9.0459 120.0448 59.1807 29.4246 179.2987 132 I 3.4994 7.7121 119.6384 64.3164 37.2081 177.9930 133 A 3.9799 7.7696 121.0864 55.5814 18.0862 179.7451 134 Q 3.9149 8.0244 116.1845 59.0633 28.7578 179.1821 135 I 3.6107 8.0199 121.2117 64.4413 37.2398 178.7354 136 V 3.6337 8.0780 119.1494 65.7599 31.2292 177.8993 137 A 4.0080 8.2031 120.7085 55.3158 18.1343 179.7980 138 R 3.8795 8.2515 116.7259 59.2851 30.1186 179.2877 139 I 4.0514 7.9078 119.8175 64.6783 37.0058 178.8095 140 G 3.6999 7.8377 104.2814 47.2710 0.0000 174.8882 141 L 4.4250 8.2064 119.0060 54.1453 41.9619 177.2363 142 G 4.1659 7.5908 105.8923 46.2291 0.0000 173.6143 143 I 4.0321 7.4575 119.6666 60.2880 37.8477 176.4494 144 G 3.9025 8.3227 113.6599 44.4819 0.0000 172.6704 145 R 4.4276 8.0481 117.4911 54.7220 31.3376 176.1701 *146 H 4.1418 8.5846 118.4779 54.9763 27.6668 176.0248 147 E 3.8662 8.2434 114.6532 60.2182 30.2389 176.2924 148 D 5.1051 7.5709 118.1229 51.8578 40.7292 177.9775 149 N 4.7672 7.6555 119.5787 53.2745 40.4111 174.0917 150 N 4.8463 8.5568 121.0011 53.0697 39.3670 174.1779 151 E 4.7352 8.2581 118.7450 54.8326 30.8345 175.3086 152 Y 4.9771 8.4955 121.5665 55.9175 41.0965 176.0154 153 I 4.1040 9.6732 126.5076 60.9538 38.4081 176.6078 154 C 4.2947 10.1757 122.1869 61.3413 29.0153 176.9935 155 S 4.1757 8.1956 116.5434 60.8270 62.5809 175.9229 156 E 4.0710 8.2871 121.9784 59.1765 29.2482 179.2037 157 F 3.9025 8.3201 120.2684 61.2204 39.7742 177.2876 158 V 3.4916 7.8739 117.7604 65.9508 31.2353 177.5235 159 N 4.6389 8.6057 117.1786 56.7574 38.8289 176.6545 160 E 4.0099 8.4649 120.2647 59.5917 29.3211 179.1674 161 C 3.8820 7.3318 114.9217 62.9663 28.5137 176.0252 162 F 4.0283 8.1837 118.8218 60.0134 38.3375 177.5734 163 K 3.9969 8.5387 119.9398 59.5402 31.7462 178.1833 164 K 4.6321 7.6597 115.2221 56.3940 31.8455 177.1616 165 I 4.3675 7.6263 111.3326 60.3862 37.9187 175.8211 166 G 3.8760 8.2906 111.3468 45.8531 0.0000 174.4468 167 V 3.5434 7.5199 121.1219 63.0594 31.2295 175.4504 168 E 4.4467 8.2939 123.5220 54.5195 30.7554 171.0343 169 F 4.3659 7.3517 118.6323 59.1462 40.0998 177.9305 *176 F 4.2971 7.6376 121.4030 57.0931 39.9163 176.6039 177 I 4.0660 7.4199 116.2877 61.6092 40.6468 173.7276 178 F 5.1679 8.5815 125.4546 54.3207 41.5018 174.6510 179 P 4.1680 0.0000 0.0000 65.9458 30.8153 178.2572 180 E 3.9221 8.3947 117.4745 60.0011 29.1940 178.6011 181 H 4.1942 7.8520 114.1010 58.8160 28.8702 177.7199 182 I 3.2484 7.3119 120.8818 64.0751 36.8259 178.0131 183 A 3.7601 7.6494 120.3067 54.9916 18.1883 179.0501 184 A 4.1821 8.1107 117.4585 52.6526 19.1966 177.4864 185 D 4.3577 7.6049 121.0188 54.8923 41.7633 177.5191 *186 H 4.0556 8.8832 123.1273 57.6778 28.2098 172.8394 187 H 4.7789 9.0223 113.9562 56.0927 28.8443 174.2303 188 V 4.6484 7.7231 121.0131 61.2957 32.6731 174.7932 189 L 4.6624 8.7854 129.0695 52.1968 43.7127 174.6302 190 P 4.5694 0.0000 0.0000 63.1430 31.5286 175.4937 191 I 4.4332 8.5385 123.2041 62.2806 39.2304 175.8369 192 A 4.7324 7.7282 119.8676 51.2160 22.3985 174.7070 193 Q 4.5618 8.6659 121.9677 55.2504 30.9133 174.7763 194 I 4.5471 8.1588 127.5200 60.2189 38.1275 175.6101 195 E 4.1631 9.0174 127.9590 56.6080 29.0643 176.4543 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 0 G 8.20 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 *2 G 9.06 3.95 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 0.00 0.00 0.00 3 T 8.34 3.69 4.31 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 1.20 0.00 0.00 4 D 8.05 4.37 0.00 2.87 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 5 K 7.40 3.73 0.00 1.73 2.08 0.00 1.63 0.00 0.00 1.45 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.14 1.38 7.81 6 F 7.92 4.63 0.00 2.90 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.50 4.64 0.00 2.85 2.91 0.00 0.00 6.69 8.12 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 8 N 7.81 5.11 0.00 2.67 2.78 0.00 0.00 6.85 7.45 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 9 I 7.83 4.14 1.96 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 1.57 0.72 1.28 0.00 0.00 10 K 8.45 4.22 0.00 1.90 1.95 0.00 1.56 0.00 0.00 1.84 0.00 0.00 3.18 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.53 1.52 7.81 11 I 8.35 4.65 1.90 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 1.38 0.89 0.92 0.00 0.00 12 D 8.83 5.10 0.00 2.61 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 13 K 8.51 4.46 0.00 2.02 1.78 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.77 1.45 7.81 14 Y 8.99 4.20 0.00 3.08 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 15 E 8.30 3.85 0.00 1.97 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 2.37 2.57 0.00 16 N 8.02 4.48 0.00 2.90 2.85 0.00 0.00 7.15 6.74 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 17 L 7.89 4.01 0.00 1.79 1.67 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.16 3.48 1.83 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.79 0.82 0.00 0.00 19 N 7.50 4.44 0.00 2.80 2.86 0.00 0.00 7.01 7.56 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 20 V 7.76 3.90 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 0.86 0.00 0.00 0.93 0.00 0.00 21 L 6.90 4.42 0.00 1.78 1.59 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 22 K 9.62 4.70 0.00 1.99 1.65 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.34 1.24 7.81 23 T 8.18 4.25 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 24 G 9.15 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.09 4.69 0.00 2.75 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 26 I 8.70 4.95 1.92 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 1.22 1.12 0.85 0.00 0.00 27 F 9.39 5.32 0.00 2.93 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 28 L 8.42 5.16 0.00 1.31 1.16 0.09 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.98 5.13 0.00 2.74 2.52 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 30 S 9.28 4.79 0.00 3.70 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 9.42 4.51 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 0.00 0.00 0.00 32 N 7.93 4.81 0.00 2.31 2.62 0.00 0.00 7.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 7.19 4.26 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 34 L 8.56 3.99 0.00 1.74 1.76 0.95 0.76 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 35 V 7.93 3.68 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 1.16 0.00 0.00 0.98 0.00 0.00 36 S 8.13 4.24 0.00 4.27 4.10 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 0.00 0.00 0.00 0.00 37 K 8.39 3.97 0.00 1.95 1.84 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.60 7.81 38 L 7.95 3.92 0.00 1.79 1.85 0.92 1.02 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 39 I 7.78 3.54 2.07 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.13 0.94 0.00 0.00 40 K 8.17 3.97 0.00 1.89 1.89 0.00 1.70 0.00 0.00 1.52 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.67 7.81 41 K 8.12 3.81 0.00 1.77 1.87 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.40 7.81 42 V 7.65 3.56 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 0.97 0.00 0.00 0.91 0.00 0.00 43 S 7.38 4.28 0.00 3.85 2.84 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 44 E 7.37 3.83 0.00 2.07 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 2.21 2.18 0.00 45 S 7.81 3.98 0.00 3.78 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.61 4.62 0.00 3.07 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.95 4.82 0.00 3.98 4.05 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 49 H 8.08 5.14 0.00 3.35 3.10 0.00 5.84 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.38 5.44 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 1.19 0.00 0.00 51 G 8.30 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.51 4.63 0.00 3.15 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 0.00 121 S 8.49 4.30 0.00 4.06 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 7.68 4.54 0.00 1.87 1.82 0.84 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 123 L 7.35 4.11 0.00 1.77 1.59 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 124 N 8.32 5.19 0.00 2.71 2.75 0.00 0.00 6.89 7.79 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 0.00 125 S 8.61 4.61 0.00 3.82 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 0.00 126 G 8.35 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 0.00 0.00 0.00 127 Y 8.31 4.67 0.00 2.95 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 0.00 128 D 9.60 4.74 0.00 2.93 2.86 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 0.00 129 K 8.49 3.89 0.00 1.83 1.91 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.52 7.81 130 N 8.29 4.25 0.00 2.83 3.08 0.00 0.00 7.15 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 0.00 131 E 9.05 4.08 0.00 2.20 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 2.35 2.54 0.00 132 I 7.71 3.50 2.01 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 1.71 0.86 0.98 0.00 0.00 133 A 7.77 3.98 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 0.00 134 Q 8.02 3.91 0.00 2.31 2.11 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 2.35 2.54 0.00 135 I 8.02 3.61 1.82 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.58 0.87 0.00 0.00 136 V 8.08 3.63 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 1.04 0.00 0.00 1.01 0.00 0.00 137 A 8.20 4.01 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 0.00 138 R 8.25 3.88 0.00 2.00 2.16 0.00 3.36 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 1.64 1.82 0.00 139 I 7.91 4.05 2.15 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 1.71 1.21 1.08 0.00 0.00 140 G 7.84 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 0.00 141 L 8.21 4.42 0.00 1.65 1.75 0.93 0.92 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 0.00 142 G 7.59 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 0.00 143 I 7.46 4.03 1.87 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 1.24 0.77 0.90 0.00 0.00 144 G 8.32 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 0.00 0.00 0.00 145 R 8.05 4.43 0.00 1.80 1.82 0.00 2.70 0.00 0.00 3.06 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 *146 H 8.58 4.14 0.00 2.95 2.95 0.00 7.22 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 0.00 147 E 8.24 3.87 0.00 1.98 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 2.24 1.90 0.00 148 D 7.57 5.11 0.00 2.65 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.66 4.77 0.00 2.63 2.65 0.00 0.00 7.17 7.79 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 0.00 150 N 8.56 4.85 0.00 2.82 2.99 0.00 0.00 6.88 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 0.00 151 E 8.26 4.74 0.00 1.87 1.64 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 2.24 2.24 0.00 152 Y 8.50 4.98 0.00 3.17 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 0.00 153 I 9.67 4.10 1.97 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.27 1.12 0.00 0.00 154 C 10.18 4.29 0.00 3.35 3.59 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 0.00 155 S 8.20 4.18 0.00 4.04 4.23 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 0.00 156 E 8.29 4.07 0.00 2.50 2.32 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 2.35 2.33 0.00 157 F 8.32 3.90 0.00 3.02 3.31 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 0.00 158 V 7.87 3.49 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 1.06 0.00 0.00 1.07 0.00 0.00 159 N 8.61 4.64 0.00 3.08 3.07 0.00 0.00 7.20 8.06 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 0.00 160 E 8.46 4.01 0.00 1.88 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.81 0.00 161 C 7.33 3.88 0.00 2.82 2.64 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 0.00 162 F 8.18 4.03 0.00 3.15 3.04 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 0.00 163 K 8.54 4.00 0.00 1.96 2.01 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.49 7.81 164 K 7.66 4.63 0.00 1.72 1.77 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.57 7.81 165 I 7.63 4.37 1.76 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.61 0.75 0.00 0.00 166 G 8.29 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 0.00 167 V 7.52 3.54 2.13 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 0.25 0.00 0.00 0.80 0.00 0.00 168 E 8.29 4.45 0.00 2.02 1.70 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 2.16 1.88 0.00 169 F 7.35 4.37 0.00 3.17 2.84 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 *176 F 7.64 4.30 0.00 2.32 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 0.00 0.00 0.00 177 I 7.42 4.07 1.79 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 1.35 0.90 0.88 0.00 0.00 178 F 8.58 5.17 0.00 3.20 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 0.00 179 P 0.00 4.17 0.00 2.39 2.10 0.00 3.93 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 180 E 8.39 3.92 0.00 2.11 1.95 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 2.35 2.43 0.00 181 H 7.85 4.19 0.00 3.26 3.34 0.00 5.90 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 I 7.31 3.25 1.60 0.00 0.00 0.51 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 0.87 0.35 0.00 0.00 183 A 7.65 3.76 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 A 8.11 4.18 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 0.00 185 D 7.60 4.36 0.00 2.95 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 *186 H 8.88 4.06 0.00 2.97 2.99 0.00 7.24 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 H 9.02 4.78 0.00 3.13 3.12 0.00 5.75 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 V 7.72 4.65 2.21 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 0.79 0.00 0.00 1.01 0.00 0.00 189 L 8.79 4.66 0.00 1.58 1.51 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 190 P 0.00 4.57 0.00 1.64 1.08 0.00 3.43 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.98 0.00 191 I 8.54 4.43 2.11 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 1.20 0.65 0.97 0.00 0.00 192 A 7.73 4.73 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 0.00 193 Q 8.67 4.56 0.00 2.30 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.06 1.60 0.00 194 I 8.16 4.55 1.89 0.00 0.00 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 1.24 0.74 1.06 0.00 0.00 195 E 9.02 4.16 0.00 2.09 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 2.34 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.