NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2052 8.2644 123.5844 52.1255 19.7837 176.6440 3 N 4.5282 8.5152 121.1764 51.7526 37.7427 172.5003 4 L 4.3164 8.2990 124.6688 54.7608 43.7629 175.5182 5 L 4.9043 7.6777 121.1472 53.6725 43.4990 175.5712 6 S 4.7295 9.2419 121.7774 56.5465 64.4090 173.0319 7 T 4.9773 8.3658 117.4929 60.4352 69.8557 174.5376 8 C 4.3607 8.8046 121.4543 60.7037 28.6437 174.4816 9 T 4.0910 8.4616 114.6560 63.8942 68.8296 174.1441 10 S 4.6000 7.4722 114.3614 57.2818 65.8643 173.4299 11 E 4.2689 8.6818 119.2715 57.8658 29.6611 176.8331 12 S 4.7916 7.5503 110.7292 57.1747 67.2285 175.2035 13 G 4.0189 8.7519 107.3086 46.3689 0.0000 175.2640 14 N 3.8730 8.1071 112.9571 50.9904 37.3851 175.4795 15 I 4.0064 7.3245 115.9423 62.7399 39.5633 176.7598 16 Q 4.7865 7.5073 120.4594 54.2436 32.5617 174.1370 17 H 5.0071 8.7383 122.7348 53.6120 32.1312 171.5488 18 I 4.6806 8.8519 127.4831 59.3114 39.4177 175.1561 19 S 4.9915 9.1213 121.4605 55.6195 66.2874 173.3182 20 P 4.4228 0.0000 0.0000 66.3279 31.4384 178.9903 21 Q 4.0151 8.1839 116.1332 58.5274 28.7718 177.5488 22 N 4.5412 7.8819 115.2517 53.8809 38.0333 176.2735 23 A 3.8534 7.8544 122.2355 51.3835 19.1329 176.9626 24 G 3.8395 8.1751 104.8362 46.0362 0.0000 173.0913 25 W 5.2940 7.9849 117.1652 55.3557 30.6299 173.3984 26 E 4.6227 9.6309 115.1805 56.9191 31.4295 175.5541 27 Y 4.6215 8.3879 113.2852 59.4482 40.7009 175.7984 28 V 4.1917 8.2812 118.5406 62.5596 32.3651 175.1290 29 G 4.5581 9.3312 114.6396 43.6745 0.0000 171.7857 30 F 5.3038 9.4756 125.1320 56.9233 42.6860 172.7894 31 D 5.1640 8.5807 125.8253 52.2697 44.7678 175.0060 32 V 4.4431 8.2064 121.3276 60.7399 34.9058 174.1000 33 W 4.9815 9.2353 127.3324 54.9292 32.3180 174.2519 34 Q 4.8560 9.3113 126.9985 54.9686 29.8269 173.1549 35 L 5.6463 9.0870 132.0541 52.7919 45.6477 175.4050 *37 A 4.4520 8.6060 124.5944 54.4096 19.4919 176.9586 38 G 4.0511 9.1808 112.3604 45.0636 0.0000 173.6981 39 E 4.4702 7.8904 118.7726 56.0358 31.1942 175.6417 40 S 5.1300 8.4296 116.8424 56.8456 67.0954 173.2006 41 I 4.4628 8.2764 113.9042 59.4387 40.6491 174.6266 42 T 4.6620 8.1370 119.5235 61.8311 70.8997 173.5337 43 L 4.5458 8.9805 127.4638 53.0803 43.3172 174.8331 44 P 4.7489 0.0000 0.0000 62.1922 33.2382 176.1020 45 S 4.4854 8.5576 116.2207 58.5542 63.0096 171.7852 46 D 4.8659 8.1304 128.8340 52.5434 42.6079 175.9274 47 E 4.6868 8.8782 121.8939 56.9714 31.0577 175.5732 48 R 5.1326 8.3449 119.8785 54.2935 33.2718 175.3967 49 E 4.6699 8.7131 121.3821 55.9393 31.8242 175.5296 50 R 5.1491 8.7875 119.1365 54.6777 35.2100 173.8834 51 C 5.1765 8.9759 121.9502 57.6414 34.4176 172.7761 52 L 4.7459 9.0886 128.1586 54.1357 42.8254 176.0910 53 V 4.5212 8.9728 124.9234 61.0278 33.9718 174.6829 54 L 4.5922 8.7679 129.3496 54.0518 40.6415 177.0163 55 V 3.9186 8.6309 125.3213 65.6687 32.2956 176.3441 56 A 4.6344 8.1079 120.0202 52.2287 22.4806 176.6845 57 G 4.1655 9.2250 107.7350 45.9526 0.0000 172.3187 58 L 5.0964 8.4981 117.5727 53.0049 44.5558 176.0706 59 A 5.1995 8.8012 122.5182 50.6584 23.4345 174.9734 60 S 5.1698 9.0627 114.8410 57.0157 66.6547 174.0306 61 V 4.3803 8.4443 122.6465 61.1195 35.5598 173.6585 *63 A 4.2708 8.4083 120.9657 53.1388 20.4023 176.2632 64 A 3.4015 7.1497 125.9833 54.0258 17.8889 178.1110 65 D 4.8011 8.6328 115.3472 56.4412 41.1837 175.8607 66 S 4.4395 7.4061 113.7203 56.4169 66.3224 173.6401 67 F 4.3073 7.9717 119.8326 55.6176 41.7944 174.5173 68 F 4.8292 8.6147 123.6514 56.1018 40.8966 174.0245 69 Y 4.8702 8.6411 121.8649 56.6277 39.4700 176.4094 70 R 3.8551 8.5286 123.6857 57.1358 28.5228 176.6626 71 I 3.4010 7.4608 110.3006 60.9354 38.4590 175.3250 72 G 4.0545 8.8651 106.9018 45.5189 0.0000 172.0612 73 Q 4.7277 8.0425 117.8137 57.2217 36.5108 176.2175 74 R 4.6386 7.5758 113.2795 55.2636 30.3780 174.8726 *76 S 4.4701 8.3497 110.5748 57.7211 63.4255 173.7497 77 P 4.0744 0.0000 0.0000 65.4943 30.9608 177.6901 78 F 4.5885 7.8413 115.6908 58.2904 38.4797 176.2272 79 E 4.0598 8.2138 121.4641 57.4650 29.3901 177.6773 80 R 3.0459 7.8002 116.5223 56.9862 27.8770 175.8470 81 I 4.5505 7.4909 109.2153 57.9601 40.1524 173.4297 82 P 4.4193 0.0000 0.0000 62.4750 31.7664 176.3163 83 A 4.2846 8.3582 123.3981 52.4406 19.4138 176.2092 84 Y 4.3789 8.5733 121.0191 56.7087 40.6313 174.6352 85 S 5.4181 8.9639 121.2876 56.8861 68.2805 172.9895 86 V 4.7285 8.7090 120.6274 61.4594 34.5689 173.4527 87 Y 4.8713 9.0636 130.0736 56.5878 40.3578 173.8193 88 L 4.4866 8.0052 127.4186 51.9306 44.3705 174.9180 89 P 4.7436 0.0000 0.0000 61.5753 32.7382 175.2928 90 H 4.8349 8.5283 115.5624 54.9741 29.6889 174.1907 91 H 4.3212 9.0181 112.5471 56.4897 26.4671 176.0293 92 T 4.3749 7.6754 115.4599 61.2715 69.9916 173.4979 93 E 4.3116 8.4539 127.9482 56.4964 31.1496 175.6394 94 A 4.4037 8.4158 126.7512 50.9388 23.0910 174.0580 *96 V 4.1672 8.3214 113.0693 63.4769 33.1839 175.7803 97 T 5.0554 8.7111 124.4836 61.3389 71.5941 173.3207 98 A 4.2402 9.0016 129.3561 52.3721 18.7095 177.8675 99 E 4.2469 9.1607 123.8159 58.6756 30.5113 176.6278 100 T 4.7525 7.5706 107.0708 59.0622 72.0997 173.4887 101 D 4.6854 8.6456 120.3206 55.1435 42.0838 175.9104 102 L 4.9713 9.3632 123.9130 53.4028 46.1112 174.5372 103 E 5.0780 9.4586 127.8341 54.6799 31.4066 173.7898 104 L 5.1732 9.0590 130.1862 53.1589 44.7487 174.6644 105 A 4.7118 9.1337 129.0240 50.5315 21.0776 175.7526 106 V 4.4902 8.6589 123.5956 61.4418 33.5550 174.0027 107 C 5.1335 9.0328 127.4277 58.6691 29.7518 173.3711 108 S 5.2648 9.2197 117.3471 57.1189 66.7662 172.6145 109 A 5.1443 8.4375 121.0189 51.0077 23.2725 173.7495 110 P 4.5723 0.0000 0.0000 63.1829 31.8646 176.5542 111 G 4.2103 8.8424 111.5362 44.5695 0.0000 173.2605 112 F 4.8346 8.9555 115.2182 56.4950 41.8410 174.6118 113 G 4.2511 7.7671 110.8906 44.4902 0.0000 173.0419 114 E 4.8030 8.3819 116.5454 55.8463 30.1584 175.9241 115 L 4.1908 8.0672 118.6390 55.1879 42.4149 175.2887 116 P 4.7204 0.0000 0.0000 61.8391 32.8665 175.8793 117 V 4.1137 8.3193 120.6006 63.6789 31.9715 175.2211 118 R 4.7739 8.9785 122.4871 54.7564 33.1508 174.0003 119 L 4.3945 8.3297 120.8955 54.6097 43.0528 177.0906 120 I 4.3740 8.6091 124.6458 59.1944 38.0536 175.5766 121 S 3.2606 8.9089 121.8489 56.1474 64.1430 174.3008 122 P 4.0816 0.0000 0.0000 65.9327 31.1378 178.9794 123 Q 4.0101 7.3584 115.7280 58.3730 28.6545 176.8439 124 E 4.1695 7.9889 115.6560 56.6558 29.8660 176.1539 125 V 3.9802 7.2465 120.5984 61.5262 32.5864 175.8258 126 G 3.7709 8.6734 115.7971 46.1561 0.0000 172.0499 127 V 5.1367 8.3882 125.0500 60.9996 33.6036 174.4817 128 E 4.7896 9.3353 125.0984 55.0700 33.5867 174.2121 129 H 5.2333 8.9288 118.6491 54.4622 30.3836 173.4590 130 R 4.3398 8.9744 125.0938 55.8185 31.6582 177.1660 131 G 4.0036 8.6533 112.4352 45.5409 0.0000 171.8150 *133 G 4.0446 8.0472 109.5573 45.8153 0.0000 174.1890 134 R 4.3686 8.9061 125.2298 56.4161 29.8618 176.2846 135 N 5.1414 7.8845 114.7732 53.2042 39.5967 173.9784 136 Q 4.5959 7.7859 116.6579 56.4852 29.5006 175.8337 137 R 4.8804 8.9229 121.0960 54.8351 35.5110 173.6147 138 L 4.7101 8.5829 124.7541 53.9407 43.7686 175.2930 139 V 4.7111 9.0062 126.3820 61.3550 34.7574 173.7919 140 H 5.1548 9.1517 125.2860 54.3058 30.8257 172.9650 141 N 4.9606 9.1943 123.2871 52.2774 36.3941 175.4759 142 I 3.7182 8.0993 123.2925 63.6699 38.0453 176.6819 143 L 4.7166 8.1233 125.0208 53.0181 42.6231 173.4455 144 P 4.8276 0.0000 0.0000 60.9749 33.0539 177.5143 145 D 4.5194 8.4128 117.0014 54.9714 39.4396 177.1118 146 S 4.3688 7.9120 113.4663 59.1028 63.7633 173.6086 147 Q 4.5919 7.5337 119.7355 53.8706 31.1360 174.7192 148 L 4.1775 7.9819 119.2205 54.1333 42.5018 176.4155 149 A 4.0410 7.6121 123.5345 51.5031 21.7718 176.0675 150 D 4.3347 9.3788 120.7896 57.0551 41.0534 178.0878 151 S 4.5105 8.1070 110.0790 59.8350 66.5931 174.9400 152 L 4.0982 8.5445 119.7943 54.8069 41.8752 176.4061 153 L 4.9298 8.3382 121.9710 52.9087 45.2538 175.5336 154 V 4.7401 8.5657 123.4751 61.0679 35.1157 174.5440 155 V 4.9245 8.4358 125.9081 60.1223 35.1878 173.3275 156 E 4.8038 8.8343 120.2140 54.4900 32.8777 174.7789 157 V 4.5879 7.7802 121.4525 61.2169 35.5230 173.4382 158 Y 4.8548 8.9333 125.3193 56.5606 40.3624 174.7522 159 T 4.7036 8.6407 121.2616 61.6387 71.6620 173.5059 160 N 5.0504 8.8966 124.1356 52.3189 40.2921 174.7711 161 A 4.0194 8.7613 124.8446 54.5658 18.6502 178.2395 162 G 3.9064 9.0816 111.2441 44.7940 0.0000 172.7230 163 A 5.0355 7.8760 121.0198 50.3347 22.3447 175.6898 164 T 4.8672 8.7423 116.9193 61.9222 70.6504 174.1781 165 S 4.8999 8.7018 119.4073 56.1897 67.1655 173.4757 166 S 4.1712 8.9374 111.9254 58.6840 60.2051 172.1248 167 W 5.3062 8.1159 126.6677 55.1010 33.6583 171.9583 168 P 2.9700 0.0000 0.0000 61.9174 31.5037 175.9411 169 A 4.2049 7.6354 124.4664 53.5298 19.5413 176.3179 170 H 5.9560 8.5961 116.8101 52.9030 32.5628 171.9567 *172 H 4.9545 8.3580 109.1414 56.1365 28.5941 172.7985 173 D 5.0104 9.3261 118.6471 53.6501 40.8657 176.7068 174 T 4.7830 7.7533 115.3537 62.0703 72.7090 173.4217 175 A 4.2370 8.8086 127.8740 52.1076 18.8703 177.3453 176 V 4.1567 8.6479 122.7364 61.1430 33.8214 174.0725 177 E 3.8403 8.8058 127.5741 57.8623 29.5253 177.6354 178 G 3.9187 8.9457 113.5685 45.7509 0.0000 172.9270 179 Q 4.2700 8.2536 119.1682 56.9591 31.1550 174.9135 180 E 4.8356 7.5979 116.4399 54.9577 33.1877 173.6627 181 T 4.9604 8.3226 114.6609 59.7443 72.0462 172.8676 182 Y 4.4356 8.4706 124.5374 57.4657 40.0089 174.2225 183 L 4.5297 8.2661 126.8873 52.7899 45.0932 176.4570 184 E 3.5721 7.8525 124.3173 56.0820 30.0067 176.4039 185 E 4.8843 8.1036 123.4856 54.7031 33.0186 174.5425 186 T 5.0792 8.7069 116.2973 60.1936 72.2195 172.5063 187 Y 4.7600 9.0782 121.3357 56.3285 41.2704 173.9049 188 Y 5.2124 8.6949 125.9511 56.4160 40.8798 173.9226 189 H 5.3129 8.9818 124.7420 54.7123 31.1759 174.8617 190 R 5.2045 8.7499 119.9542 54.6123 34.2950 174.2411 191 F 5.5208 9.3837 119.4303 55.8586 43.7825 173.6838 192 N 4.8512 8.7980 119.8752 51.0348 41.5698 172.4307 193 P 4.7313 0.0000 0.0000 61.6955 32.1587 175.8175 194 P 4.6233 0.0000 0.0000 65.0368 31.3234 177.2197 195 Q 4.2320 8.1283 115.1210 56.3880 28.8847 175.8729 196 G 2.2229 7.0120 108.9979 44.8829 0.0000 172.2009 197 F 3.5512 6.2345 112.9655 55.0176 40.8556 172.7160 198 C 4.9146 8.6796 113.6315 56.4759 33.8896 172.5262 199 L 4.9589 8.8805 118.9115 53.0638 43.7052 175.5504 200 Q 5.0080 8.6679 125.2195 54.1050 32.0146 173.7847 201 R 4.8717 8.7000 126.3825 54.5235 33.0687 174.1603 202 V 5.0921 8.9277 127.0647 61.4260 33.6365 173.8350 203 Y 5.5963 8.9799 125.5187 56.1030 41.8292 174.2429 204 T 4.6040 8.7507 111.4971 60.1888 71.3588 175.3741 205 D 4.6316 8.9898 122.3010 57.8160 40.8245 177.9848 206 D 4.5129 8.1508 114.7850 53.5999 39.8810 176.7111 207 R 4.2108 8.1296 117.9910 57.1169 28.2627 177.2877 208 S 4.2302 8.6858 115.3676 60.3233 63.2823 174.1705 209 L 4.6758 7.7309 123.5812 53.1961 44.1140 175.4569 210 D 5.2389 8.6370 125.3941 53.7753 42.7518 172.8611 211 E 4.6936 9.5632 124.9014 54.4532 32.8436 175.2685 212 C 5.2236 8.8892 124.4089 56.7981 34.5840 172.2128 *214 A 4.2330 8.2800 120.9166 51.8741 19.1705 176.1677 215 V 4.3610 8.6923 123.2413 62.1734 33.8131 174.9267 216 Y 4.7648 9.2102 125.5064 55.5609 41.6193 174.4188 217 N 4.7554 8.9090 118.8322 55.7258 39.1099 174.7224 218 R 3.9115 9.0601 123.7724 56.6387 28.4626 176.1085 219 D 4.8267 8.1041 118.5380 54.3302 42.4053 175.3343 220 V 4.9119 8.8008 121.3235 61.6373 34.3054 175.0436 221 V 4.6604 8.3147 127.2593 60.4333 35.1244 174.0724 *223 V 4.1888 8.2181 117.3524 62.7707 31.3476 174.8514 224 P 4.5007 0.0000 0.0000 64.1696 32.0455 176.7562 *226 G 3.4167 7.6494 106.8739 45.0429 0.0000 171.5878 227 Y 4.9003 7.7565 116.5277 57.3079 38.8848 176.7637 228 H 5.8646 8.0811 116.0184 54.2119 27.5074 171.5938 229 P 4.9659 0.0000 0.0000 63.2994 33.6494 176.5322 230 V 4.6056 8.9207 120.8420 61.2176 34.1793 174.0520 231 A 4.9465 9.0092 131.4910 50.5451 20.3714 176.3684 232 T 4.6383 8.1903 113.3309 61.6971 70.8411 174.2180 233 I 4.4841 8.0071 122.0225 58.8733 40.0912 175.2640 234 A 4.0493 8.6312 128.9272 54.3133 18.4213 177.5003 235 G 3.5604 9.1595 111.4738 44.6421 0.0000 172.6056 236 Y 4.8832 7.2470 115.9679 55.9426 39.7927 175.4713 237 D 4.7730 8.9797 125.2005 54.3303 42.4304 175.3023 238 N 5.5068 9.3153 120.2942 52.1036 42.5490 172.4716 239 Y 4.9436 8.6558 124.4070 55.9578 42.7109 173.4072 240 Y 4.8944 7.2622 122.4950 55.1181 42.2579 173.2876 241 L 4.7686 8.4791 123.4923 53.4354 44.5113 174.6544 242 N 5.7515 9.0493 123.6654 50.6414 41.9182 173.8596 243 V 5.0202 7.6987 121.1982 59.8127 35.9066 173.7300 *245 A 4.2205 8.3514 122.8138 52.3233 20.0268 176.5929 246 G 3.5703 7.5158 105.0723 45.1985 0.0000 172.2876 247 P 4.2649 0.0000 0.0000 64.4563 31.5487 176.0829 248 L 4.5022 7.0639 117.3895 52.8261 44.0104 175.5913 249 R 3.9047 8.5280 127.0180 55.0744 29.5560 175.7002 *251 W 4.7152 8.2506 135.0000 57.2116 30.6957 173.7841 252 R 4.0708 8.2813 123.6159 53.7485 32.2557 175.0238 253 F 5.1430 6.9661 116.5328 55.1586 41.7968 173.9679 254 T 4.5519 8.2641 114.8882 61.4276 71.3898 173.6851 255 W 5.1018 8.8252 126.1959 55.9683 30.3118 175.9966 256 E 3.9481 8.9822 125.0964 55.6081 29.3267 177.4927 257 E 4.0085 8.9219 126.6601 59.4543 29.5529 178.4823 258 N 4.4213 8.1166 115.2546 55.5216 38.8923 175.6869 259 H 4.8013 7.6074 114.8463 55.1706 29.7992 175.7021 260 A 3.4723 7.6112 124.2311 54.5124 17.6043 179.6183 261 W 4.2126 8.2103 114.0619 59.3323 28.1569 178.3048 262 I 2.8695 6.1328 119.1949 63.5322 36.5674 177.1829 263 N 4.1653 7.3883 117.5883 55.8315 38.5199 175.2855 264 S 4.2562 7.3048 116.9688 59.1017 62.9730 174.1666 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 A 8.26 4.21 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 3 N 8.52 4.53 0.00 2.72 2.73 0.00 0.00 7.03 6.89 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 4 L 8.30 4.32 0.00 1.75 1.69 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 5 L 7.68 4.90 0.00 1.64 1.57 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 6 S 9.24 4.73 0.00 3.86 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.37 4.98 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 1.32 0.00 0.00 8 C 8.80 4.36 0.00 3.05 3.13 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 0.00 0.00 0.00 0.00 9 T 8.46 4.09 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 1.19 0.00 0.00 10 S 7.47 4.60 0.00 3.94 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 11 E 8.68 4.27 0.00 2.26 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 2.28 1.86 0.00 12 S 7.55 4.79 0.00 3.97 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 13 G 8.75 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.11 3.87 0.00 1.44 1.99 0.00 0.00 7.44 7.82 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 15 I 7.32 4.01 1.98 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 1.28 0.56 0.97 0.00 0.00 16 Q 7.51 4.79 0.00 1.77 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.63 0.00 17 H 8.74 5.01 0.00 3.06 3.09 0.00 5.70 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.85 4.68 2.04 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 1.44 0.94 0.89 0.00 0.00 19 S 9.12 4.99 0.00 4.00 3.82 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 20 P 0.00 4.42 0.00 2.30 2.51 0.00 3.69 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.59 0.00 21 Q 8.18 4.02 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 22 N 7.88 4.54 0.00 2.82 2.89 0.00 0.00 6.98 7.21 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 23 A 7.85 3.85 -0.05 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 24 G 8.18 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 25 W 7.98 5.29 0.00 3.60 3.34 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 26 E 9.63 4.62 0.00 2.00 1.49 0.00 0.00 0.00 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 2.34 0.00 27 Y 8.39 4.62 0.00 2.97 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 28 V 8.28 4.19 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 0.91 0.00 0.00 0.80 0.00 0.00 29 G 9.33 4.56 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 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0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.57 0.00 135 N 7.88 5.14 0.00 2.69 2.80 0.00 0.00 7.14 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 0.00 136 Q 7.79 4.60 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.37 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 137 R 8.92 4.88 0.00 1.76 1.82 0.00 3.20 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 138 L 8.58 4.71 0.00 1.75 1.54 0.68 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 139 V 9.01 4.71 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.91 0.00 0.00 140 H 9.15 5.15 0.00 3.09 3.18 0.00 5.68 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 N 9.19 4.96 0.00 2.59 2.71 0.00 0.00 7.04 7.46 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 0.00 142 I 8.10 3.72 1.96 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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4.73 0.00 2.56 2.02 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 194 P 0.00 4.62 0.00 2.26 2.28 0.00 3.43 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 195 Q 8.13 4.23 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 196 G 7.01 2.22 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 0.00 0.00 0.00 0.00 197 F 6.23 3.55 0.00 2.03 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 0.00 198 C 8.68 4.91 0.00 3.30 3.38 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 0.00 199 L 8.88 4.96 0.00 1.58 1.61 0.98 1.25 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 Q 8.67 5.01 0.00 1.98 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.86 0.00 0.00 0.00 0.00 0.00 2.16 2.37 0.00 201 R 8.70 4.87 0.00 1.92 1.83 0.00 2.89 0.00 0.00 2.76 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.52 0.00 202 V 8.93 5.09 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 1.06 0.00 0.00 0.92 0.00 0.00 203 Y 8.98 5.60 0.00 3.21 3.16 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 0.00 204 T 8.75 4.60 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 1.19 0.00 0.00 205 D 8.99 4.63 0.00 2.80 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 0.00 206 D 8.15 4.51 0.00 2.83 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 0.00 207 R 8.13 4.21 0.00 2.08 2.16 0.00 3.64 0.00 0.00 3.72 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 208 S 8.69 4.23 0.00 4.01 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 0.00 209 L 7.73 4.68 0.00 1.77 1.60 0.97 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 210 D 8.64 5.24 0.00 2.79 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 0.00 211 E 9.56 4.69 0.00 1.91 1.82 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 2.25 2.38 0.00 212 C 8.89 5.22 0.00 2.95 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 *214 A 8.28 4.23 1.08 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 0.00 0.00 215 V 8.69 4.36 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 1.02 0.00 0.00 0.89 0.00 0.00 216 Y 9.21 4.76 0.00 3.05 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 0.00 217 N 8.91 4.76 0.00 3.10 2.93 0.00 0.00 7.00 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 0.00 218 R 9.06 3.91 0.00 2.17 2.41 0.00 3.35 0.00 0.00 3.43 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 219 D 8.10 4.83 0.00 2.92 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 V 8.80 4.91 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 1.05 0.00 0.00 1.31 0.00 0.00 221 V 8.31 4.66 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 1.08 0.00 0.00 0.93 0.00 0.00 *223 V 8.22 4.19 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 0.73 0.00 0.00 0.92 0.00 0.00 224 P 0.00 4.50 0.00 2.44 2.52 0.00 3.95 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 2.07 0.00 *226 G 7.65 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.76 4.90 0.00 1.67 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 H 8.08 5.86 0.00 2.97 3.23 0.00 5.14 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 P 0.00 4.97 0.00 2.16 2.68 0.00 4.33 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 230 V 8.92 4.61 2.28 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 1.13 0.00 0.00 0.76 0.00 0.00 231 A 9.01 4.95 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 232 T 8.19 4.64 4.33 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 1.41 0.00 0.00 233 I 8.01 4.48 1.66 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.25 0.67 0.00 0.00 234 A 8.63 4.05 1.19 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 0.00 0.00 235 G 9.16 3.56 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 0.00 236 Y 7.25 4.88 0.00 2.78 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 0.00 237 D 8.98 4.77 0.00 2.70 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 0.00 238 N 9.32 5.51 0.00 2.88 2.87 0.00 0.00 6.55 7.20 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 0.00 239 Y 8.66 4.94 0.00 2.26 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 0.00 240 Y 7.26 4.89 0.00 2.62 2.54 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 0.00 241 L 8.48 4.77 0.00 1.90 1.76 0.99 0.78 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 0.00 242 N 9.05 5.75 0.00 2.31 2.28 0.00 0.00 6.26 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 0.00 243 V 7.70 5.02 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 1.26 0.00 0.00 1.01 0.00 0.00 *245 A 8.35 4.22 1.25 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 0.00 0.00 0.00 246 G 7.52 3.57 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 0.00 0.00 0.00 247 P 0.00 4.26 0.00 2.20 2.30 0.00 3.87 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 248 L 7.06 4.50 0.00 1.60 1.53 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 249 R 8.53 3.90 0.00 1.83 1.86 0.00 3.36 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 *251 W 8.25 4.72 0.00 3.20 3.25 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 0.00 252 R 8.28 4.07 0.00 1.80 1.69 0.00 3.00 0.00 0.00 3.06 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.41 0.00 253 F 6.97 5.14 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 0.00 254 T 8.26 4.55 4.34 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 1.29 0.00 0.00 255 W 8.83 5.10 0.00 3.40 2.85 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 0.00 256 E 8.98 3.95 0.00 1.16 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.86 0.00 257 E 8.92 4.01 0.00 2.16 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 0.00 2.41 2.49 0.00 258 N 8.12 4.42 0.00 2.53 2.75 0.00 0.00 6.73 8.16 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 0.00 259 H 7.61 4.80 0.00 2.57 2.56 0.00 5.63 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 0.00 260 A 7.61 3.47 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 0.00 261 W 8.21 4.21 0.00 3.53 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 0.00 262 I 6.13 2.87 1.07 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.50 0.00 0.00 263 N 7.39 4.17 0.00 2.25 2.45 0.00 0.00 6.99 6.87 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 0.00 264 S 7.30 4.26 0.00 4.08 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 * Residues marked with a * may have inaccurate shift predictions.