NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7851 8.3549 109.7367 45.2867 0.0000 173.1064 *25 E 4.2449 8.3104 118.7382 56.2316 30.6199 176.0167 26 K 4.4115 8.7351 119.9234 57.2195 34.2959 176.9992 27 G 4.0909 7.6948 108.4491 44.8233 0.0000 173.5408 28 D 4.6909 8.4105 117.5780 52.3563 40.0624 177.4326 29 W 4.1693 8.9684 134.1777 60.1454 30.7660 177.2454 30 A 3.2945 8.1994 117.5987 52.3593 18.5574 176.6535 31 Q 3.5903 7.8289 114.1758 56.9585 26.5004 175.6735 32 F 4.2811 8.3536 117.6339 60.4154 39.6492 178.6390 33 G 3.6578 8.9869 109.3208 47.9993 0.0000 174.9841 34 R 3.7499 7.7071 120.2754 59.0892 30.0775 177.3411 35 Y 4.7738 7.7059 111.7027 57.1146 38.6747 176.9086 36 A 4.0662 7.7251 123.4483 55.6235 18.7224 179.7429 37 E 4.0484 8.1507 116.0233 59.4546 29.6000 179.0993 38 A 4.0281 8.0676 120.3406 55.4282 17.9544 179.2296 39 N 4.3074 8.5669 115.0652 56.3766 38.3654 177.6402 40 K 4.1662 7.8885 118.6459 58.2689 32.1672 177.6669 41 T 4.4937 7.2680 106.6191 60.7999 69.5255 174.4641 42 V 3.6085 7.2923 122.4213 62.5187 31.9967 175.4320 43 K 4.0268 8.5903 128.4147 56.4526 32.3297 175.7508 44 V 4.6369 8.0815 126.4553 60.0869 33.6423 173.3774 45 P 4.6076 0.0000 0.0000 63.1187 32.2480 176.0128 46 S 4.2132 8.2930 117.3283 58.0550 65.7780 172.4605 47 N 4.6677 8.9279 119.1038 53.9797 38.7836 174.0771 48 V 4.8259 7.1058 111.3524 61.0674 35.7483 174.5244 49 V 4.7935 8.4221 127.6122 61.5251 33.6876 175.1848 50 F 4.7930 9.4169 126.7543 56.2869 42.1313 174.4804 *52 G 4.5820 8.3243 105.2185 46.3456 0.0000 171.3282 53 N 5.8544 8.3545 117.4747 51.9108 37.7183 176.9954 54 S 4.2334 8.7135 109.7289 61.5222 62.6525 176.3060 55 I 3.9108 8.1424 122.2372 64.7285 37.0105 178.2675 56 T 4.6263 8.1180 116.1985 66.9016 68.2951 176.3475 57 D 4.5977 8.6861 119.3844 56.9002 41.4026 177.7168 58 G 3.9891 8.7054 105.2598 45.4565 0.0000 175.5525 59 W 3.0713 8.2278 131.0398 59.8786 30.3932 177.4141 60 W 4.3137 8.7379 128.1677 60.2495 29.9714 175.9630 61 P 4.0106 0.0000 0.0000 65.6223 30.6665 177.8436 62 A 4.2936 7.3785 118.6282 53.6712 19.6777 177.3359 63 D 4.5278 8.3962 118.2393 51.1325 41.6966 175.4216 64 S 3.2771 8.2767 120.6604 59.1647 63.1628 175.3837 65 T 4.4430 7.4500 111.1415 61.1761 68.5555 175.4552 66 F 3.8801 7.9149 125.2126 61.7874 39.2303 177.0728 67 F 3.6701 7.5933 116.3604 60.1331 38.9318 177.5381 68 I 3.6116 7.7026 118.0035 64.1169 37.6787 178.0239 69 R 3.8319 7.9247 115.1109 58.4796 29.3579 176.9171 70 N 4.0881 6.7944 113.9341 51.7877 39.1225 173.8768 71 N 4.0293 7.2705 116.0788 54.7623 37.6495 172.9665 72 F 5.5614 8.1955 115.5805 56.0206 42.1085 176.9435 73 V 4.1356 8.9000 122.5580 61.3056 33.2193 174.0803 74 D 4.3194 8.1580 128.4180 52.8692 41.5792 175.9148 75 R 3.7748 8.4139 127.2671 55.5223 31.2621 176.0468 76 G 4.0254 8.3696 106.3838 46.1978 0.0000 174.3351 77 I 4.8537 8.7180 124.0517 59.0245 40.7720 175.3814 78 S 4.2026 9.1388 124.1095 60.3088 63.1152 175.5843 79 G 3.8219 8.8678 112.1038 45.7064 0.0000 174.1011 80 Q 3.9914 7.7382 118.6079 55.8678 29.1461 175.6941 81 T 4.6233 8.7101 112.4119 59.8852 71.0764 175.6540 82 T 4.0980 9.2033 111.6706 64.7244 69.1327 176.3224 83 S 4.3952 8.1314 118.9726 61.9382 63.0383 178.2547 84 E 3.6278 7.4103 118.8389 56.2604 28.7262 179.0061 *86 L 4.1532 8.0874 122.5927 55.1903 43.8664 178.9348 87 V 3.8362 7.7409 116.3100 66.0495 31.7720 177.7806 88 R 3.6522 8.2854 118.4153 58.5138 29.8160 177.7826 89 F 3.9741 7.8758 120.1647 61.4158 39.1015 177.2043 90 R 3.9554 8.1708 117.8697 59.5518 30.3423 178.3633 91 Q 4.0440 8.3465 115.2390 58.6804 28.9250 176.6456 92 D 4.5934 7.9736 114.6894 54.5299 41.2850 176.3049 93 V 3.9677 6.7018 116.8206 63.8230 34.1188 176.9566 94 I 3.6133 7.8938 119.7342 64.6984 37.2241 178.4983 95 N 4.4845 8.2241 115.3930 55.3437 38.3681 175.9800 96 L 4.1776 7.5801 116.5820 54.2460 42.7128 176.4592 97 K 3.7462 7.7834 119.1217 56.6776 29.9751 172.2796 98 P 4.9245 0.0000 0.0000 61.3531 33.2480 177.0369 99 K 4.2842 8.8829 118.4606 59.2527 33.0061 177.1499 100 A 5.2518 7.8010 119.3539 50.3546 23.2835 175.2587 101 V 4.6606 8.6467 118.6070 59.8472 34.4935 174.7584 102 V 4.3200 8.4918 125.6328 61.4388 32.4579 174.8411 103 I 4.5015 8.6344 129.9649 59.4830 39.6015 174.5941 104 L 5.1970 8.6821 128.5327 53.7170 44.3522 174.8453 105 A 4.6559 8.7276 127.3343 51.6188 22.3395 174.5761 106 G 3.7953 9.1633 110.3525 46.3038 0.0000 176.4868 107 I 3.8663 8.1412 120.4332 64.2444 37.9274 177.4543 108 N 4.5750 8.2456 116.5461 55.8305 38.4958 177.0475 109 D 4.4340 8.0403 120.4774 57.4147 40.8013 178.5314 110 I 3.8660 7.7070 119.0740 64.0054 37.2288 177.5527 111 A 3.7711 7.6382 119.0181 51.7047 18.9180 176.6115 112 H 4.4156 8.1782 113.4563 55.8238 26.8694 177.0793 113 N 4.4625 8.6336 118.6678 55.8033 38.6264 175.9275 114 N 4.8883 8.3437 115.2933 53.0226 39.3963 174.8128 115 G 3.9352 8.0197 104.4448 43.7926 0.0000 173.7241 116 V 3.3069 7.8059 111.7432 61.2977 31.9141 176.1167 117 I 4.4608 7.7974 122.9499 59.2858 41.1312 174.2132 118 A 4.2418 8.5882 130.6245 51.7626 19.2427 177.9187 119 L 4.1900 8.8508 123.3296 58.3916 42.1414 179.4845 120 E 3.8564 8.3728 117.0416 59.2346 29.5854 178.5726 121 N 4.4614 8.2415 117.3801 55.4650 38.5112 177.6865 122 V 3.6160 7.7417 119.6308 65.9848 31.7870 177.5764 123 F 4.3577 8.4985 120.6067 61.3189 39.1878 177.1484 124 G 3.4253 8.0788 105.2658 47.9000 0.0000 175.3652 125 N 4.2973 7.8162 117.7092 56.0242 38.6081 177.2314 126 L 4.1503 7.3491 119.5565 57.6477 41.8943 179.3674 127 V 3.1692 7.2351 118.2222 65.6208 31.3104 179.1580 128 S 4.3171 7.7998 113.2556 58.6309 62.5487 176.1843 *130 A 4.2388 7.9992 126.3402 52.3825 20.5477 179.8971 131 E 4.0362 8.3912 115.5656 59.4593 28.8836 179.6072 132 L 4.0264 8.0643 118.9408 57.6247 41.6763 179.4148 133 A 4.1609 8.0156 120.2868 55.0671 18.4671 179.3538 134 K 3.8682 8.2947 118.0181 59.7379 32.0938 178.9028 135 A 4.1138 8.0017 119.5133 54.2127 18.2182 178.3139 136 N 4.6246 7.2994 112.0188 52.3545 39.3390 174.3640 137 H 4.1183 7.8118 115.7976 57.1873 26.8307 174.5409 138 I 4.5268 7.9891 119.4882 59.3571 39.1235 176.4209 139 K 4.1883 8.8106 127.0001 56.3283 32.2784 176.0617 140 V 4.3439 8.3653 124.7565 61.5775 33.5760 174.3687 141 I 4.6512 8.4960 129.1566 59.6658 39.2987 174.5633 142 F 5.0354 8.9470 126.9967 56.9040 40.4814 174.8993 143 C 4.9548 8.7675 120.9186 57.4135 30.2986 174.1109 144 S 4.4339 8.2411 118.7070 58.2404 63.1358 174.5792 145 V 3.8174 9.3072 124.2628 62.7562 31.8879 175.9363 146 L 4.2849 8.4293 126.4652 53.9019 42.2120 175.3045 147 P 4.3542 0.0000 0.0000 62.9964 31.7197 176.3439 148 A 4.6117 8.2042 123.6521 51.5810 21.7505 176.4124 149 Y 4.2420 8.5192 124.4772 59.5205 39.6387 174.8200 150 D 3.9614 7.2873 115.1563 53.0127 44.1130 174.1230 151 F 4.5235 7.7355 123.0363 55.1385 39.6592 175.3330 152 P 4.4174 0.0000 0.0000 64.4240 31.4135 177.4464 153 W 4.6976 8.1979 113.3923 57.3094 29.0124 177.0551 154 R 4.5714 7.1015 119.1709 54.2883 30.1716 172.2912 155 P 4.2113 0.0000 0.0000 63.0051 32.4035 175.3237 156 G 3.4561 7.6906 112.5852 45.8207 0.0000 173.6857 *158 Q 3.8048 7.9834 127.3272 55.1443 29.7903 174.7612 159 P 4.2542 0.0000 0.0000 64.8678 31.7546 178.1133 160 A 4.0943 7.7405 122.3255 55.0333 18.1523 179.2314 161 D 4.3331 7.9388 115.9156 56.8460 40.9114 179.1690 162 K 3.8754 7.8444 119.0830 59.2321 32.1085 179.1729 163 V 3.5872 7.9399 118.6854 66.1672 31.4308 178.1608 164 I 3.5304 7.4383 119.2895 64.2230 36.8922 178.2594 165 Q 3.3943 7.9175 120.3751 58.8401 28.8047 177.9189 166 L 3.8284 7.6751 121.3969 58.3416 42.0447 178.7361 167 N 4.4172 8.2702 116.4478 56.0464 38.4091 177.3262 168 K 3.7669 7.7790 121.1879 59.1801 32.2043 178.9990 169 W 4.1090 7.5356 118.7547 59.6383 28.7755 178.5785 170 I 3.7877 7.9371 119.8251 64.3310 36.5384 178.3810 171 K 3.1784 7.9792 120.6143 59.3111 31.9033 178.6451 172 E 3.9067 8.0993 118.8290 59.4459 29.4935 178.7341 173 Y 4.0522 8.3661 119.4105 60.6325 38.9460 177.8576 174 A 4.1480 8.4880 122.0399 55.3757 18.2106 179.3366 175 D 4.2742 8.2576 117.4580 57.5236 40.7401 179.0866 176 K 4.1094 7.9642 118.4314 58.3745 32.1325 177.0473 177 N 4.6979 7.4547 114.1216 52.1838 38.8179 174.4994 178 G 3.9504 7.5799 104.2030 46.6671 0.0000 173.8927 179 L 4.7920 8.0498 118.6724 52.9108 43.9665 176.9689 180 T 4.2374 8.0401 119.6177 63.7228 69.7830 172.8428 181 Y 5.2051 8.6815 126.9361 55.9158 41.0867 174.7796 182 V 3.7217 8.4269 127.7776 61.4672 32.5940 174.5316 183 D 4.1713 8.1084 130.7825 53.0899 38.2971 175.3069 184 Y 4.4601 7.7256 120.8887 60.9822 38.8505 178.0065 185 H 4.1093 8.6406 118.9420 59.4778 29.9736 176.6125 186 S 4.2567 8.4110 113.5768 61.5655 62.7082 175.3214 187 A 4.2476 7.6022 120.0866 52.4732 17.7374 177.0147 *189 K 4.1649 7.7362 116.4762 57.7836 33.9188 175.1372 190 D 4.9055 8.0060 120.5078 51.4451 41.7724 176.6842 191 E 3.9867 8.6719 116.1568 58.8260 29.5146 177.6456 192 R 4.4006 7.9298 114.0865 55.2027 29.6418 175.3492 193 N 4.1664 8.0047 113.4976 55.0947 36.7028 173.7161 194 G 4.3072 8.4029 108.0249 43.7043 0.0000 172.0712 195 L 4.7695 8.1249 118.8111 52.2215 43.2543 175.2323 196 P 4.3889 0.0000 0.0000 62.0037 32.1984 176.8356 197 A 4.1083 8.7259 121.7128 55.7864 17.8274 179.9080 198 N 4.4073 8.0654 113.6692 55.3530 37.9049 176.4516 199 L 4.2913 7.7602 119.9319 54.3861 42.3253 176.0377 200 S 4.8916 6.9548 110.2089 57.1451 65.8125 174.7129 201 K 4.1514 8.8634 127.3781 58.9440 32.0816 177.6108 202 D 4.6678 8.1877 114.9086 52.7877 40.0700 177.1579 203 G 3.9661 8.4747 108.4085 45.8490 0.0000 173.5043 204 V 4.2260 8.0255 116.1176 64.3002 33.3928 174.9809 205 H 4.6502 9.0425 115.9652 53.7597 29.6775 173.8798 206 P 4.4221 0.0000 0.0000 62.3079 31.9600 176.7359 207 T 4.3694 7.9302 111.9033 60.5411 71.7651 175.3960 208 L 4.0436 8.3552 121.0341 58.3062 41.7389 178.2079 209 E 3.9772 8.2247 118.9652 59.2820 29.3386 179.0062 210 G 3.3297 7.2444 103.3849 47.9859 0.0000 175.0109 211 Y 3.6179 7.4103 118.1739 60.4588 37.9196 178.6538 212 K 4.2669 8.2667 119.6315 59.2052 31.9303 179.6108 213 I 3.9507 7.1947 116.3789 62.1505 36.6360 177.3420 *215 E 4.6135 8.0713 122.7513 56.4394 31.3434 177.9961 216 K 4.1093 8.0606 117.7980 59.6045 32.1369 179.4979 217 I 3.8633 7.7331 120.3191 64.4819 37.0397 179.0000 218 V 3.7870 8.1410 119.5871 64.7729 31.4533 178.2366 219 L 4.0841 8.3665 119.7697 57.5530 41.3441 179.0513 220 E 3.9909 8.1329 119.2535 59.1574 29.7259 178.7734 221 A 4.0105 8.0078 120.6987 55.1538 18.3849 179.7179 222 I 3.6552 8.0341 118.5619 65.0201 37.0310 178.5426 223 H 4.2173 8.0744 115.4996 58.5282 28.5301 177.3655 224 K 4.1792 7.8277 120.5882 58.8795 32.1177 178.4536 225 T 4.2691 7.6034 114.7961 63.9534 69.1147 175.1573 226 V 4.3414 8.0461 120.4487 60.9014 33.0495 175.5372 227 K 4.2329 8.5798 125.3802 56.6278 32.5522 175.8651 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 8.35 3.79 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 0.00 0.00 0.00 *25 E 8.31 4.24 0.00 2.08 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 2.31 2.47 0.00 26 K 8.74 4.41 0.00 1.73 1.86 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.48 7.81 27 G 7.69 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 28 D 8.41 4.69 0.00 2.84 2.63 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 0.00 0.00 0.00 29 W 8.97 4.17 0.00 3.31 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.20 3.29 0.91 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 0.00 0.00 31 Q 7.83 3.59 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.74 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 32 F 8.35 4.28 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.99 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.71 3.75 0.00 1.46 1.84 0.00 2.85 0.00 0.00 2.90 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.50 0.00 35 Y 7.71 4.77 0.00 2.99 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 36 A 7.73 4.07 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 37 E 8.15 4.05 0.00 1.98 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 2.39 2.30 0.00 38 A 8.07 4.03 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 39 N 8.57 4.31 0.00 2.94 2.88 0.00 0.00 7.03 8.28 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 40 K 7.89 4.17 0.00 1.83 1.87 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.36 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.63 7.81 41 T 7.27 4.49 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 1.20 0.00 0.00 42 V 7.29 3.61 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 0.70 0.00 0.00 0.95 0.00 0.00 43 K 8.59 4.03 0.00 1.74 1.71 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.36 7.81 44 V 8.08 4.64 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 0.88 0.00 0.00 0.95 0.00 0.00 45 P 0.00 4.61 0.00 2.11 2.04 0.00 3.80 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 1.98 1.96 0.00 46 S 8.29 4.21 0.00 3.88 4.18 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 47 N 8.93 4.67 0.00 2.92 2.91 0.00 0.00 6.28 7.71 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 48 V 7.11 4.83 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 0.56 0.00 0.00 0.98 0.00 0.00 49 V 8.42 4.79 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 0.84 0.00 0.00 0.85 0.00 0.00 50 F 9.42 4.79 0.00 2.98 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 *52 G 8.32 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.35 5.85 0.00 3.10 3.01 0.00 0.00 6.75 7.64 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 54 S 8.71 4.23 0.00 3.84 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 55 I 8.14 3.91 2.11 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.58 0.86 0.00 0.00 56 T 8.12 4.63 4.61 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 1.62 0.00 0.00 57 D 8.69 4.60 0.00 2.89 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 58 G 8.71 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 59 W 8.23 3.07 0.00 3.73 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 60 W 8.74 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4.15 0.00 1.81 1.91 0.79 0.87 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 87 V 7.74 3.84 2.33 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 1.14 0.00 0.00 1.22 0.00 0.00 88 R 8.29 3.65 0.00 1.62 1.86 0.00 3.23 0.00 0.00 3.08 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.44 0.00 89 F 7.88 3.97 0.00 3.36 3.15 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 90 R 8.17 3.96 0.00 2.02 2.07 0.00 3.29 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 91 Q 8.35 4.04 0.00 2.38 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.67 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 92 D 7.97 4.59 0.00 2.60 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 6.70 3.97 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 0.00 0.00 0.52 0.00 0.00 0.35 0.00 0.00 94 I 7.89 3.61 2.03 0.00 0.00 1.06 0.00 0.00 0.00 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0.00 111 A 7.64 3.77 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 0.00 112 H 8.18 4.42 0.00 3.42 3.37 0.00 5.66 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.63 4.46 0.00 2.83 2.92 0.00 0.00 6.61 8.75 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 0.00 114 N 8.34 4.89 0.00 2.76 2.91 0.00 0.00 7.16 7.98 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 0.00 115 G 8.02 3.94 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 0.00 0.00 0.00 116 V 7.81 3.31 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 0.62 0.00 0.00 0.90 0.00 0.00 117 I 7.80 4.46 1.92 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 1.41 0.70 1.00 0.00 0.00 118 A 8.59 4.24 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.85 4.19 0.00 1.92 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 H 7.81 4.12 0.00 3.31 3.40 0.00 5.82 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 I 7.99 4.53 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.72 0.88 0.00 0.00 139 K 8.81 4.19 0.00 1.81 1.72 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.39 7.81 140 V 8.37 4.34 1.96 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 0.18 0.00 0.00 0.87 0.00 0.00 141 I 8.50 4.65 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.60 0.80 0.00 0.00 142 F 8.95 5.04 0.00 3.21 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 0.00 143 C 8.77 4.95 0.00 3.04 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 0.00 144 S 8.24 4.43 0.00 3.94 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 9.31 3.82 2.26 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 0.90 0.00 0.00 1.10 0.00 0.00 146 L 8.43 4.28 0.00 1.68 1.57 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 147 P 0.00 4.35 0.00 1.97 1.93 0.00 3.61 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.60 0.00 148 A 8.20 4.61 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 0.00 149 Y 8.52 4.24 0.00 2.78 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 0.00 150 D 7.29 3.96 0.00 2.32 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 0.00 151 F 7.74 4.52 0.00 2.71 1.45 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 0.00 152 P 0.00 4.42 0.00 2.23 2.21 0.00 4.04 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 153 W 8.20 4.70 0.00 3.35 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 R 7.10 4.57 0.00 1.27 1.36 0.00 3.32 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 155 P 0.00 4.21 0.00 2.19 2.01 0.00 3.92 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 156 G 7.69 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *158 Q 7.98 3.80 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.05 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 159 P 0.00 4.25 0.00 1.98 1.92 0.00 3.39 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.47 0.00 160 A 7.74 4.09 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 0.00 161 D 7.94 4.33 0.00 2.63 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 0.00 162 K 7.84 3.88 0.00 1.95 1.85 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.44 7.81 163 V 7.94 3.59 2.27 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 1.23 0.00 0.00 1.05 0.00 0.00 164 I 7.44 3.53 1.90 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 1.31 0.30 0.80 0.00 0.00 165 Q 7.92 3.39 0.00 1.80 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 1.64 1.16 0.00 166 L 7.68 3.83 0.00 1.85 1.78 1.24 0.83 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 0.00 167 N 8.27 4.42 0.00 2.90 2.93 0.00 0.00 6.69 7.48 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 0.00 168 K 7.78 3.77 0.00 1.73 1.54 0.00 1.49 0.00 0.00 1.45 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.36 7.81 169 W 7.54 4.11 0.00 3.13 1.74 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 I 7.94 3.79 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.04 0.85 0.00 0.00 171 K 7.98 3.18 0.00 0.79 1.46 0.00 1.31 0.00 0.00 0.84 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.09 1.25 7.81 172 E 8.10 3.91 0.00 2.32 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 2.32 2.27 0.00 173 Y 8.37 4.05 0.00 3.52 3.29 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 0.00 174 A 8.49 4.15 1.60 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 0.00 0.00 175 D 8.26 4.27 0.00 2.89 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 K 7.96 4.11 0.00 1.91 1.71 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.45 7.81 177 N 7.45 4.70 0.00 2.44 2.58 0.00 0.00 6.95 6.98 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 0.00 178 G 7.58 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 0.00 179 L 8.05 4.79 0.00 1.69 1.89 1.24 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 180 T 8.04 4.24 4.26 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 1.23 0.00 0.00 181 Y 8.68 5.21 0.00 2.95 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 V 8.43 3.72 1.57 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 0.07 0.00 0.00 0.76 0.00 0.00 183 D 8.11 4.17 0.00 2.79 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 0.00 184 Y 7.73 4.46 0.00 3.04 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 0.00 185 H 8.64 4.11 0.00 3.32 3.56 0.00 5.76 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 S 8.41 4.26 0.00 4.03 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 0.00 187 A 7.60 4.25 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 *189 K 7.74 4.16 0.00 1.83 1.75 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.42 7.81 190 D 8.01 4.91 0.00 2.85 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 0.00 191 E 8.67 3.99 0.00 2.05 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 2.18 2.17 0.00 192 R 7.93 4.40 0.00 1.69 1.81 0.00 2.21 0.00 0.00 2.71 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.18 0.00 193 N 8.00 4.17 0.00 2.98 3.00 0.00 0.00 6.61 7.18 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 0.00 194 G 8.40 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 0.00 0.00 0.00 0.00 195 L 8.12 4.77 0.00 1.74 1.54 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 196 P 0.00 4.39 0.00 2.34 2.11 0.00 3.65 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 2.10 1.90 0.00 197 A 8.73 4.11 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 0.00 198 N 8.07 4.41 0.00 3.00 2.94 0.00 0.00 5.98 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 0.00 199 L 7.76 4.29 0.00 1.75 1.60 0.84 0.37 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 0.00 200 S 6.95 4.89 0.00 3.74 3.63 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 0.00 0.00 0.00 201 K 8.86 4.15 0.00 1.81 1.87 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.43 7.81 202 D 8.19 4.67 0.00 2.97 2.90 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 0.00 203 G 8.47 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 0.00 204 V 8.03 4.23 2.58 0.00 0.00 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 1.22 0.00 0.00 205 H 9.04 4.65 0.00 3.14 3.25 0.00 5.90 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 0.00 206 P 0.00 4.42 0.00 0.67 1.34 0.00 3.32 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.48 0.00 207 T 7.93 4.37 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 208 L 8.36 4.04 0.00 1.80 1.72 1.02 0.76 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 0.00 209 E 8.22 3.98 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 210 G 7.24 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 Y 7.41 3.62 0.00 2.87 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 K 8.27 4.27 0.00 1.91 1.87 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.62 1.64 7.81 213 I 7.19 3.95 1.92 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 1.39 0.75 0.91 0.00 0.00 *215 E 8.07 4.61 0.00 2.32 2.30 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 2.50 2.67 0.00 216 K 8.06 4.11 0.00 2.05 1.92 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.69 7.81 217 I 7.73 3.86 2.15 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.24 0.93 0.00 0.00 218 V 8.14 3.79 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 1.54 0.00 0.00 1.06 0.00 0.00 219 L 8.37 4.08 0.00 1.92 1.81 1.09 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 220 E 8.13 3.99 0.00 2.22 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 0.00 2.36 2.39 0.00 221 A 8.01 4.01 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 0.00 222 I 8.03 3.66 1.93 0.00 0.00 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 1.37 0.82 1.05 0.00 0.00 223 H 8.07 4.22 0.00 3.18 3.40 0.00 5.67 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 K 7.83 4.18 0.00 1.76 2.07 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.50 7.81 225 T 7.60 4.27 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 0.00 226 V 8.05 4.34 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 0.83 0.00 0.00 0.94 0.00 0.00 227 K 8.58 4.23 0.00 1.75 1.66 0.00 1.87 0.00 0.00 1.77 0.00 0.00 3.26 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.35 7.81 * Residues marked with a * may have inaccurate shift predictions.