NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5976 8.2185 119.5527 53.2456 42.3211 177.3932 4 A 4.0110 7.9309 121.4195 53.6690 18.5962 176.3082 5 S 4.3218 8.0886 108.1298 58.5913 63.7808 171.8323 6 D 4.3400 7.4234 118.9554 55.1307 41.4024 174.3661 7 P 4.5247 0.0000 0.0000 64.2878 32.3110 177.9909 8 I 3.7929 7.9660 121.3512 64.0536 37.0320 177.5741 9 R 3.8647 8.0896 119.1529 59.4033 29.8600 176.8468 10 P 4.2629 0.0000 0.0000 65.6631 31.2253 177.9986 11 L 3.8939 7.5515 119.0876 57.7986 41.9629 178.9392 12 V 3.5421 7.9251 118.2624 66.2669 31.4731 177.6689 13 E 3.9372 8.2179 117.8501 59.4676 29.1274 179.4433 14 A 3.9740 8.2249 120.7386 55.1083 18.4842 179.7571 15 L 3.9528 8.2069 117.8343 58.1111 41.5169 179.5030 16 N 4.4447 8.3614 115.3706 56.1862 38.4680 177.0110 17 A 4.1369 7.8099 121.8451 55.0032 18.5436 179.2038 18 E 4.1816 7.8022 114.9895 58.1604 29.9949 177.5804 19 A 4.2651 7.5936 120.4095 49.9602 22.2959 174.0879 20 P 4.3507 0.0000 0.0000 63.3228 31.5610 176.0021 21 L 4.0305 9.1696 122.8621 54.2835 42.1697 177.2120 22 K 4.1630 8.1925 123.8544 54.8538 33.0353 177.0617 23 L 3.8291 8.4521 126.9526 57.9874 42.0244 178.6718 24 W 4.2741 8.1054 116.0172 59.9137 27.7841 178.0930 25 S 3.6472 6.4259 113.2443 60.6436 61.7620 175.9208 26 V 3.2044 7.2478 120.9558 65.9673 31.1214 178.0373 27 L 4.1259 8.1902 118.8440 57.8174 41.4869 179.6475 28 V 3.7298 7.7546 118.2110 66.1899 31.3425 178.2816 29 T 3.9048 8.1111 115.5503 66.7613 68.3440 175.9264 30 C 3.9095 8.1584 120.4698 62.6904 31.6385 175.6058 31 L 4.1735 8.4803 120.8449 57.7688 41.1148 179.8661 32 G 3.7122 8.3059 105.6334 47.9131 0.0000 175.2679 33 D 4.5786 8.4469 122.3735 56.7113 41.1565 178.7909 34 V 3.5620 7.9405 113.0015 64.5004 31.3148 178.7891 35 S 4.3800 7.8960 115.3845 60.7283 62.6521 176.3409 36 R 4.0429 7.6791 121.5023 58.5896 29.8213 176.9128 37 D 4.7655 7.1952 115.6034 53.3616 39.7352 176.1445 38 G 4.0271 8.4701 110.2675 46.7755 0.0000 174.9520 39 V 3.8025 7.5729 119.7974 62.3552 29.8963 176.2911 40 I 3.8762 8.1422 127.9608 63.3916 37.4161 176.6431 41 E 4.9764 7.7531 115.6618 54.6457 32.7810 174.9600 42 V 4.5568 8.5251 122.2589 60.9715 34.0981 175.3199 43 S 4.3220 8.7212 121.9387 58.0356 63.9669 175.4380 44 G 3.7039 8.8334 109.3868 47.9711 0.0000 176.6306 45 V 3.6895 7.6476 120.7681 64.5693 31.1514 178.3069 46 A 4.2005 7.9294 121.1150 54.7840 18.1618 179.4020 47 L 4.1586 8.1876 119.0309 58.3968 42.2164 179.1558 48 S 4.2181 8.3898 113.5605 61.3198 62.3253 176.2948 49 S 4.2327 8.3366 117.0317 61.0741 62.5653 176.3862 50 F 4.3291 8.0033 122.9612 61.3262 39.6976 176.9424 51 V 3.3845 7.8682 117.8904 65.9306 31.0275 177.8815 52 E 4.3955 7.9830 118.7696 58.5663 29.4869 180.7268 53 R 4.1122 7.7732 118.6337 55.8860 30.2660 177.2140 *55 G 3.7741 7.9193 103.5506 44.4666 0.0000 173.2077 56 L 4.5610 7.4621 119.9822 52.8785 43.8255 175.6465 57 Q 4.4774 8.0747 118.4245 54.5383 29.7312 175.9057 58 P 4.2886 0.0000 0.0000 65.3337 32.0564 177.8583 59 Q 4.0518 8.3022 119.2750 59.1410 29.3567 179.1546 60 A 3.9102 7.6740 119.2805 52.5967 17.9228 179.4633 *62 R 4.3121 8.1936 119.7083 58.0346 32.2148 178.7650 63 V 3.6352 7.7504 110.7913 64.1982 31.3714 178.6234 64 A 4.1162 8.0040 120.3213 55.2197 18.2957 179.7458 65 L 4.0436 7.9157 117.0915 57.9439 41.8230 179.1076 66 H 4.1054 8.6031 118.6972 59.0809 29.9660 177.1191 67 R 3.8516 8.0068 120.5144 59.7344 29.8532 178.5454 68 L 4.1486 8.0823 118.4556 57.6615 41.5425 179.5845 69 K 4.2246 8.3126 119.0059 59.4635 31.8553 179.4126 70 R 3.9594 7.6937 115.5155 59.3899 29.3189 177.6098 71 D 4.7513 7.9012 116.1462 53.3733 40.9798 176.4145 72 G 3.9302 7.8954 107.3093 46.5578 0.0000 175.1118 73 W 4.5775 8.6346 122.2323 57.2000 30.7882 177.0150 74 V 5.0949 7.9851 116.9144 59.8204 34.1982 175.1048 75 E 4.9220 9.2407 121.3140 54.8162 33.0682 175.1752 76 S 5.3536 8.6977 118.0996 56.7484 66.6839 173.4836 77 R 4.7414 9.0957 120.6571 54.2764 32.5647 174.7124 78 R 4.9013 8.8308 123.8887 55.6430 31.7950 176.0337 79 L 4.6284 8.9344 128.8470 52.9922 41.8230 174.5531 80 G 4.1520 8.0831 119.1382 46.3521 0.0000 173.8616 81 R 4.2722 8.7980 123.8809 55.9181 30.6931 175.7670 82 V 4.0544 7.4465 119.0609 61.0118 32.9765 174.3304 83 G 4.2789 8.0430 113.6087 44.6403 0.0000 172.1867 84 F 5.2963 9.1669 122.6718 55.8183 42.2845 173.8242 85 H 5.6318 9.0202 121.1931 54.2453 31.6541 173.6965 86 R 5.0310 8.5563 116.5332 54.7694 33.1408 174.3034 87 L 4.8116 8.5389 120.3777 54.6636 42.6037 177.3716 88 S 4.4114 8.9728 117.5025 58.2719 64.1347 174.8654 89 D 4.3900 8.9250 121.0330 57.7749 40.1695 179.1770 90 S 3.9325 7.9662 112.6147 61.4273 62.4320 176.0505 91 A 3.7028 7.7892 123.3066 54.8542 18.0228 179.6227 92 L 4.0091 8.5057 118.1691 58.2317 41.6807 179.8688 93 T 3.8533 7.8984 109.7709 64.8511 68.3758 176.3313 94 Q 3.9893 7.6083 121.3071 59.1287 29.2187 177.9716 95 T 4.1554 8.1368 116.8827 66.8516 68.5802 177.0413 96 R 4.0362 8.4508 119.8995 58.8977 29.8473 178.7816 97 A 4.1984 7.8458 119.3743 53.9553 18.6331 178.8131 98 V 4.3031 7.5363 108.9911 60.5787 32.5362 177.0768 99 A 4.4185 7.9079 122.4167 55.7100 18.2487 180.2923 100 G 3.6167 8.1926 103.3343 47.7708 0.0000 175.8054 101 R 3.9618 7.9276 119.7536 59.4401 30.3354 178.2638 102 I 3.9845 7.6627 118.2787 64.4570 37.1397 177.5223 103 Y 4.6302 9.0543 117.1970 58.5977 37.9278 176.2957 104 G 3.8425 7.5917 109.0729 44.5363 0.0000 172.4314 105 P 4.2254 0.0000 0.0000 63.4982 31.6705 177.7883 106 G 4.0742 7.5614 103.9415 45.5302 0.0000 173.7104 107 A 4.1287 8.4356 121.4249 52.5485 19.6377 180.3834 108 G 3.6580 7.7504 104.5578 46.5039 0.0000 175.3424 109 P 4.5251 0.0000 0.0000 61.3709 30.0258 174.7869 110 A 4.4314 7.8674 128.8049 51.2912 20.0549 175.8870 111 P 4.5563 0.0000 0.0000 61.9920 32.5201 175.2155 112 W 5.2719 7.9265 116.1603 55.4058 31.4955 173.5775 113 H 5.0106 9.2564 115.7926 54.4689 33.6210 171.9964 114 L 5.4707 9.5974 121.6590 53.4266 44.7895 174.7651 115 A 5.3119 9.5015 128.0093 50.4091 22.0733 175.6033 116 G 3.3626 8.7678 110.2865 42.9797 0.0000 170.4264 *118 P 4.3206 0.0000 0.0000 61.5947 32.2356 175.8095 119 P 4.2817 0.0000 0.0000 65.4729 31.4647 178.0019 120 D 4.2265 8.0318 116.6402 55.4360 39.5236 175.8825 121 A 4.3613 7.2140 121.9189 50.0614 18.0076 174.8921 122 P 4.3120 0.0000 0.0000 66.1394 32.5368 177.3836 123 D 4.7589 7.7789 119.6260 52.8748 40.8836 177.5078 124 G 3.8363 7.9692 111.1347 48.8154 0.0000 175.3498 125 L 4.2277 8.2190 119.8863 57.4969 41.9195 179.5269 126 S 4.2170 7.8926 112.6907 61.0750 63.0860 175.5432 127 L 4.1797 7.8245 119.5102 56.1690 41.5734 176.9144 128 L 4.1046 7.3043 119.9816 52.8627 42.5160 175.1712 129 P 4.3966 0.0000 0.0000 62.4766 31.8596 177.0473 130 D 4.4733 8.5003 119.3911 56.1749 39.4852 177.8521 131 T 4.0359 7.8451 109.0991 63.3011 69.2803 174.0770 132 L 4.8935 7.4714 121.9885 53.0729 43.7028 175.8069 133 S 4.8587 8.8533 117.7396 56.5333 64.6455 172.5969 134 A 5.2220 8.5449 127.5721 50.5154 22.1006 175.1032 135 T 4.6028 8.8911 119.7078 60.7088 71.0256 172.0796 136 P 5.0237 0.0000 0.0000 63.0063 31.5071 176.3589 137 I 4.6004 8.9517 114.7384 60.7683 39.0546 174.7769 138 S 4.7218 7.7522 114.3422 56.8822 65.8857 174.7778 139 R 4.0670 8.7122 118.6749 58.6503 29.8261 178.0235 140 R 4.4585 7.8311 111.1669 55.3461 32.3610 174.8333 141 F 5.3000 8.4635 117.0582 55.6453 41.9206 174.5584 142 A 5.2146 9.1118 123.0599 50.3093 23.1837 175.0522 143 L 4.8643 9.1518 121.6161 54.3539 43.1211 176.4110 144 I 5.1781 9.2511 117.2630 59.4493 41.2319 173.9295 145 C 4.8586 9.0426 122.1469 59.2790 35.3742 172.8520 146 G 4.0821 8.9264 109.5534 43.2848 0.0000 170.6709 147 P 4.2691 0.0000 0.0000 62.7740 31.4669 177.2635 148 L 4.0859 8.5185 124.0326 56.7646 41.8639 179.0464 149 E 4.0339 8.0375 115.8305 58.7339 29.7158 177.3457 150 D 4.4427 7.7086 117.6876 54.6815 41.2737 176.3994 151 V 3.5671 7.2512 120.5236 61.0972 31.9650 174.0377 152 P 4.3995 0.0000 0.0000 62.6536 31.7380 177.4025 153 E 4.1576 8.8163 120.8000 58.7237 29.5530 177.4274 154 D 4.8358 8.2273 117.0623 52.8082 39.8092 175.6766 155 W 4.8063 7.9441 119.0224 55.1817 31.7661 175.6535 156 L 4.3904 9.0126 126.3908 54.3524 42.4654 175.0094 157 L 5.1964 8.5769 129.3938 53.9519 43.3895 175.3615 158 T 4.8540 9.2437 120.6372 60.3384 70.9069 172.5052 159 A 4.7717 8.4767 128.5603 49.2865 21.7058 174.8865 160 P 3.9987 0.0000 0.0000 62.4168 31.7749 177.0880 161 S 4.5671 8.2993 117.1835 56.6152 64.6639 174.4787 162 G 3.6980 8.4780 109.0699 48.1436 0.0000 174.3752 163 R 4.0925 7.2779 119.2165 56.0065 31.0194 177.8992 164 G 3.9821 8.2882 113.0527 45.3785 0.0000 172.2095 165 L 4.5449 8.1645 120.4799 52.2291 43.6838 175.3068 166 P 4.3724 0.0000 0.0000 62.4453 33.2650 177.4835 167 V 3.7041 8.4362 118.8459 66.2587 31.4118 178.3367 168 W 4.2687 8.2390 115.7380 59.4706 27.8103 178.4470 169 V 3.2067 6.6516 118.4921 65.7472 30.9785 177.7348 170 Q 3.9041 7.7437 117.7565 59.1451 28.0288 178.7876 171 D 4.3360 8.3804 120.1065 57.2465 40.7482 178.9802 172 V 3.6105 7.3664 117.7504 66.2905 31.5912 178.6032 173 V 3.5474 7.7152 112.1066 64.1662 31.3169 178.6825 174 V 3.5769 7.9835 118.3450 66.1407 31.3154 177.5741 175 E 3.8827 7.9290 118.0973 59.2694 29.5807 178.6201 176 A 4.1545 8.5940 121.1908 54.2688 18.1868 178.6990 177 G 4.1274 8.2123 102.6249 43.2575 0.0000 173.3287 178 C 4.4333 8.1545 116.9893 58.7344 26.5425 175.0309 179 E 4.0850 8.3909 120.8726 59.4512 29.3381 177.4029 180 A 4.0448 7.8759 120.2223 55.0577 18.6075 179.1473 181 E 3.8567 8.0546 116.6173 59.5942 29.5012 179.6146 182 F 4.5506 8.2379 117.6222 60.7414 38.9166 178.0035 183 K 4.0618 8.0860 117.9689 59.3793 31.7843 179.2541 184 A 4.0616 8.3254 121.2581 54.6132 18.3912 179.4595 185 L 3.9128 8.0989 118.9943 58.3702 42.2779 178.5865 186 E 3.9515 8.2142 119.2708 59.5187 29.2314 179.1414 187 R 3.8890 7.5424 116.7517 59.5673 30.0342 178.6696 188 T 4.0332 7.9647 115.4589 66.9329 68.5436 176.6922 189 L 3.7628 8.6319 120.4896 57.3703 41.3518 179.2397 190 A 4.0651 7.7028 120.4969 54.9613 18.2650 179.2562 191 Q 4.2511 7.4501 115.2347 58.4956 29.3696 177.5574 192 I 3.9865 7.4230 121.5827 61.3443 35.0347 175.3639 193 D 4.4390 8.3311 123.4946 56.1324 41.7534 176.3477 194 K 4.6863 7.4769 116.1217 53.9361 35.7222 176.0801 195 V 3.7796 8.2066 121.4346 61.8949 31.9913 174.4469 196 P 4.5320 0.0000 0.0000 62.5550 32.2078 176.3229 197 D 4.4576 8.6773 120.0329 57.8137 41.2395 178.2944 198 T 3.9684 7.7317 115.6739 63.8167 70.1204 175.5808 199 R 4.0533 8.5063 123.7597 59.0212 30.2421 179.1373 200 L 2.8628 7.3603 119.7189 57.7523 41.9741 178.6060 201 E 3.9396 7.9763 117.9154 59.6356 29.4919 179.3619 202 R 3.9486 7.9885 117.9423 59.1980 30.1266 178.9287 203 F 4.1578 8.6461 120.5306 61.8123 39.5470 177.2813 204 T 4.3716 8.6409 115.8316 66.7013 68.1687 176.4431 205 L 3.9681 8.3193 122.4745 57.9827 42.0986 178.8556 206 R 3.8368 7.9663 118.6672 59.5581 30.0652 178.5580 207 V 3.4794 7.5673 117.8493 65.9002 31.4281 177.9877 208 L 4.0103 8.0322 118.6394 57.8687 41.5576 179.6243 209 V 3.6216 8.1061 118.5364 65.9453 31.4727 177.8433 210 L 4.0475 8.3643 120.5273 58.3179 41.9008 178.3915 211 H 4.0647 8.8324 118.4197 59.2210 29.9239 176.9542 212 A 3.9699 8.0709 122.6004 54.9106 18.0702 179.5299 213 W 4.2810 8.1172 126.2088 60.6214 31.0221 177.9259 214 R 3.5834 8.4143 119.2608 59.6251 29.2402 178.3938 215 R 3.7500 7.8278 114.6636 58.9512 29.3893 178.0915 216 L 3.9159 7.1865 119.7292 57.4587 42.2585 178.2251 217 I 3.4358 7.1069 118.6587 64.1559 37.5528 177.5995 218 L 4.0538 7.3008 116.8663 56.6207 41.4502 178.4442 219 R 4.1691 7.4190 117.9194 56.8846 30.9042 176.4085 220 S 4.2377 7.0102 112.7698 57.6755 63.3885 172.2998 221 S 4.5731 8.5699 119.2599 56.0797 63.2696 173.1786 222 P 4.4809 0.0000 0.0000 65.5856 31.0890 178.3641 223 A 3.9928 8.0724 119.3045 55.2855 18.1547 179.4957 224 A 3.8559 7.5131 117.4750 55.3097 18.7736 179.3861 225 E 4.0679 8.7099 117.2366 59.5638 29.7250 179.3571 226 A 4.0827 8.4748 120.9782 55.2985 18.2192 179.5631 227 A 3.6537 7.6981 118.0754 54.7807 18.3990 179.5556 228 L 4.0606 7.5506 117.0146 57.0342 42.1001 177.9767 229 G 3.8439 8.1292 104.9585 44.3434 0.0000 173.5940 230 G 3.7017 8.5186 105.8990 46.8485 0.0000 174.1325 231 A 4.4793 7.7413 121.5724 51.7020 19.3335 177.5985 232 R 4.1815 7.5345 113.6718 55.7925 29.6552 177.8896 233 A 4.1802 9.4190 123.1701 54.2896 18.8784 179.8106 234 E 3.0143 7.8614 114.7733 58.9990 29.5999 178.7016 235 I 3.6084 7.3370 120.1655 64.3385 37.2786 178.4303 236 S 4.0916 7.8277 114.4915 61.4968 62.7980 176.0280 237 C 3.9804 7.5949 121.4353 62.2248 31.3615 175.5057 238 R 2.5100 8.1136 120.5016 58.7676 29.7188 178.1683 239 A 3.8959 8.0794 121.0758 55.0825 18.2973 179.7089 240 R 3.6972 7.6621 116.7929 59.3876 30.2172 178.7560 241 V 3.3154 7.4659 118.3171 66.3286 31.4572 177.6645 242 H 4.1788 8.0857 116.1646 58.8166 28.4273 177.3871 243 Q 3.9318 7.8374 120.9699 59.3053 28.7409 178.6820 244 L 3.9501 7.8353 119.7025 57.8971 41.5986 179.5817 245 L 4.0628 7.9456 118.4435 57.2148 41.1913 179.4413 246 D 4.3442 7.6966 118.8093 57.3513 41.0994 178.4884 247 Q 4.1301 8.1184 116.7528 59.0782 28.6162 177.9883 248 L 4.2074 8.2944 120.7284 56.0872 42.2051 178.3332 249 G 3.9496 7.8360 107.5206 44.6083 0.0000 171.9459 250 S 4.8217 8.5300 112.7027 56.2836 64.8923 173.3942 251 V 4.4964 8.3501 123.2116 60.7940 33.6943 174.5987 252 E 4.1075 8.7875 127.2887 55.5812 29.9463 176.2122 253 P 2.9700 0.0000 0.0000 61.1096 29.9005 174.9646 254 D 4.2235 6.4500 124.4683 55.6723 40.9620 177.5581 255 W 4.6879 7.1259 120.1180 56.1510 27.8569 175.4393 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 D 8.22 4.60 0.00 2.62 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 4 A 7.93 4.01 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 5 S 8.09 4.32 0.00 3.84 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 6 D 7.42 4.34 0.00 2.74 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 7 P 0.00 4.52 0.00 2.33 2.27 0.00 3.48 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 8 I 7.97 3.79 1.98 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 1.42 0.45 0.91 0.00 0.00 9 R 8.09 3.86 0.00 1.98 1.98 0.00 3.24 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 10 P 0.00 4.26 0.00 2.29 2.28 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.06 0.00 11 L 7.55 3.89 0.00 1.97 1.91 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.93 3.54 2.20 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 0.99 0.00 0.00 0.93 0.00 0.00 13 E 8.22 3.94 0.00 2.21 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 2.48 0.00 14 A 8.22 3.97 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 15 L 8.21 3.95 0.00 1.81 1.72 0.94 0.81 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 16 N 8.36 4.44 0.00 2.86 2.86 0.00 0.00 7.06 6.91 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 17 A 7.81 4.14 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 18 E 7.80 4.18 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 2.48 2.29 0.00 19 A 7.59 4.27 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 20 P 0.00 4.35 0.00 2.16 2.07 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 21 L 9.17 4.03 0.00 1.61 1.55 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.19 4.16 0.00 0.93 1.08 0.00 1.87 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.23 7.81 23 L 8.45 3.83 0.00 1.71 1.69 0.88 1.05 0.00 0.00 0.00 0.00 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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 1.18 0.53 0.91 0.00 0.00 193 D 8.33 4.44 0.00 2.61 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 0.00 194 K 7.48 4.69 0.00 1.73 1.65 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.32 7.81 195 V 8.21 3.78 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 0.88 0.00 0.00 0.98 0.00 0.00 196 P 0.00 4.53 0.00 2.22 2.03 0.00 3.84 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 2.09 1.99 0.00 197 D 8.68 4.46 0.00 2.67 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 0.00 198 T 7.73 3.97 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 1.12 0.00 0.00 199 R 8.51 4.05 0.00 1.97 2.27 0.00 3.22 0.00 0.00 3.40 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.76 0.00 200 L 7.36 2.86 0.00 0.60 1.20 0.25 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 201 E 7.98 3.94 0.00 2.18 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 2.36 2.35 0.00 202 R 7.99 3.95 0.00 2.19 2.07 0.00 3.19 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 1.69 1.92 0.00 203 F 8.65 4.16 0.00 3.54 3.35 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 0.00 204 T 8.64 4.37 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 205 L 8.32 3.97 0.00 1.95 1.68 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 206 R 7.97 3.84 0.00 2.03 1.91 0.00 3.40 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 207 V 7.57 3.48 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 0.88 0.00 0.00 0.07 0.00 0.00 208 L 8.03 4.01 0.00 2.01 1.73 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 209 V 8.11 3.62 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 0.98 0.00 0.00 0.95 0.00 0.00 210 L 8.36 4.05 0.00 1.86 1.85 0.80 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 211 H 8.83 4.06 0.00 3.33 3.31 0.00 5.85 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 A 8.07 3.97 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 0.00 213 W 8.12 4.28 0.00 3.35 3.27 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 0.00 214 R 8.41 3.58 0.00 1.91 1.93 0.00 3.17 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 215 R 7.83 3.75 0.00 1.78 1.75 0.00 2.98 0.00 0.00 2.97 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.50 0.00 216 L 7.19 3.92 0.00 1.74 1.62 0.44 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 217 I 7.11 3.44 0.56 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 1.09 0.80 0.16 0.00 0.00 218 L 7.30 4.05 0.00 1.59 1.65 0.89 0.62 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 0.00 219 R 7.42 4.17 0.00 1.87 1.92 0.00 3.18 0.00 0.00 3.05 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 220 S 7.01 4.24 0.00 3.66 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 0.00 221 S 8.57 4.57 0.00 3.88 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 P 0.00 4.48 0.00 2.22 2.12 0.00 3.67 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 223 A 8.07 3.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 A 7.51 3.86 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 0.00 225 E 8.71 4.07 0.00 2.23 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 2.49 0.00 226 A 8.47 4.08 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 A 7.70 3.65 0.74 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 0.00 228 L 7.55 4.06 0.00 1.85 1.75 1.08 0.97 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 0.00 229 G 8.13 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 G 8.52 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 0.00 231 A 7.74 4.48 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 0.00 232 R 7.53 4.18 0.00 2.00 2.18 0.00 2.79 0.00 0.00 3.41 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 233 A 9.42 4.18 1.56 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 0.00 0.00 234 E 7.86 3.01 0.00 1.63 1.62 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 2.28 2.33 0.00 235 I 7.34 3.61 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.89 0.87 0.00 0.00 236 S 7.83 4.09 0.00 4.16 4.08 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 0.00 0.00 0.00 237 C 7.59 3.98 0.00 3.18 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 0.00 238 R 8.11 2.51 0.00 1.76 1.92 0.00 3.22 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.29 0.00 239 A 8.08 3.90 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 0.00 240 R 7.66 3.70 0.00 1.94 2.00 0.00 3.09 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 241 V 7.47 3.32 0.84 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 0.48 0.00 0.00 0.55 0.00 0.00 242 H 8.09 4.18 0.00 3.11 3.25 0.00 5.71 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 243 Q 7.84 3.93 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 244 L 7.84 3.95 0.00 1.84 1.68 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 245 L 7.95 4.06 0.00 1.74 1.77 1.00 1.16 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 0.00 246 D 7.70 4.34 0.00 2.86 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 0.00 247 Q 8.12 4.13 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.00 0.00 0.00 0.00 0.00 0.00 2.68 2.40 0.00 248 L 8.29 4.21 0.00 1.72 1.79 0.95 0.85 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 0.00 249 G 7.84 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 0.00 250 S 8.53 4.82 0.00 4.01 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 0.00 251 V 8.35 4.50 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 1.32 0.00 0.00 1.14 0.00 0.00 252 E 8.79 4.11 0.00 1.94 1.73 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 2.27 2.26 0.00 253 P 0.00 2.97 0.00 1.63 1.17 0.00 3.56 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.85 0.00 254 D 6.45 4.22 0.00 2.62 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 0.00 255 W 7.13 4.69 0.00 3.42 3.32 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 * Residues marked with a * may have inaccurate shift predictions.