NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9551 8.3393 109.7377 44.9363 0.0000 174.7696 0 S 4.0292 8.3279 114.8774 59.1856 62.7349 172.5012 1 M 4.6864 7.8084 115.8788 52.3835 34.5784 175.8790 2 D 4.5861 8.1788 118.2103 52.3041 40.0708 176.2024 3 K 3.9064 8.4691 128.5790 58.8633 32.9173 178.3419 4 N 4.3516 8.2774 117.0963 56.3650 39.0698 176.4649 5 E 3.9671 8.3055 120.1274 59.1639 29.5063 178.8916 6 L 3.9698 7.6109 118.4403 57.7656 41.5739 179.5580 7 V 3.5672 7.2478 118.0298 65.8378 31.2900 178.2673 8 Q 3.9447 7.9248 117.8045 58.9529 28.6874 178.4712 9 K 3.8432 8.5142 119.6354 59.5684 31.9075 179.1935 10 A 3.9631 8.2660 121.1047 54.9402 18.2674 179.6042 11 K 4.0117 7.7635 116.7037 58.6929 32.1747 179.0629 12 L 4.0447 8.0856 120.5498 57.3897 41.9087 178.6441 13 A 3.9377 8.0371 121.1782 54.6321 18.2593 179.1445 14 E 3.4592 7.7802 117.9907 59.4275 29.5251 178.9752 15 Q 3.9584 7.5297 115.9337 58.9437 28.9270 178.2777 16 A 4.1584 7.4498 117.5120 51.4473 18.8472 176.7850 17 E 3.3403 7.9565 116.7185 58.0927 27.9221 176.4922 18 R 4.5072 7.4856 117.1339 54.0428 30.3794 176.5593 19 Y 4.0200 7.8980 119.7076 60.7293 38.3299 177.3475 20 D 4.3606 8.1880 119.5186 57.4740 40.9909 178.4257 21 D 4.2823 7.9599 118.7341 57.6134 40.7831 178.2364 22 M 3.9133 8.2183 118.8211 58.6533 32.1595 178.1545 23 A 3.5209 8.6971 121.5269 54.6822 18.4050 179.4200 24 A 3.8879 7.7467 119.0761 55.6658 18.0116 179.7525 25 C 4.0959 8.0053 115.0648 62.8014 28.1247 175.6912 26 M 4.1191 7.6053 119.4737 57.3671 31.8718 178.2135 27 K 3.9330 7.9511 120.2661 59.5291 32.2080 178.6568 28 S 4.1532 7.7414 112.2104 61.3569 62.5086 176.0690 29 V 3.6960 7.3637 120.2324 66.2356 31.2930 178.1444 30 T 3.8164 7.8186 115.4830 66.6062 68.1209 175.9822 31 E 3.0279 7.4987 117.4389 57.5052 29.4221 178.5764 32 Q 4.1746 7.6744 118.5271 57.1019 28.8541 175.5462 33 G 4.3400 8.3395 109.2960 45.8754 0.0000 174.2442 34 A 4.1030 7.7007 120.6759 51.8654 18.5929 176.2962 35 E 4.3029 8.4723 119.9208 55.2701 30.5908 176.0522 36 L 4.5741 8.4702 126.2286 54.5187 42.4803 177.9233 37 S 4.4376 8.9952 119.1305 57.8652 65.0939 174.9834 38 N 4.2198 8.6584 119.5843 56.4673 38.0494 177.2883 39 E 3.8829 8.0115 120.0062 59.4663 29.9770 178.4346 40 E 3.9491 7.9510 118.3669 59.5248 29.4965 179.4677 41 R 4.0011 8.6271 119.0363 59.1865 29.9593 178.2264 42 N 4.2994 7.8634 116.9315 56.8497 39.1189 176.6593 43 L 3.7325 8.1594 120.6893 58.1210 41.6730 179.5105 44 L 3.9815 8.0954 119.9549 58.1819 42.2168 178.5784 45 S 4.3522 8.3577 113.0777 61.6808 62.3834 176.5332 46 V 3.6267 8.8846 121.2300 66.0092 31.4397 177.6707 47 A 4.1853 8.1743 120.4355 55.7526 18.2399 179.2957 48 Y 4.3269 8.2260 115.1089 61.0346 38.0864 178.3060 49 K 4.2952 8.5842 120.6537 59.2067 32.1130 178.5150 50 N 4.1093 8.1178 117.6487 56.2536 38.3138 177.1966 51 V 3.5977 7.7048 119.8137 66.1091 31.7587 178.5358 52 V 3.5365 8.5432 119.2135 64.1233 31.2737 178.4480 53 G 3.4522 7.8096 106.5156 47.8058 0.0000 175.3198 54 A 4.0067 7.6515 123.7459 54.9405 18.2873 180.0155 55 R 3.9026 7.5699 116.0971 59.3500 30.1576 179.5067 56 R 3.9394 8.1154 118.1051 59.1008 30.0250 179.0859 57 S 4.1074 8.1420 112.9240 61.6701 62.4905 176.4676 58 S 4.1505 8.2930 117.9386 61.0404 62.4215 176.4946 59 W 3.9329 8.5056 131.5968 60.4799 30.5013 177.9579 60 R 3.7875 8.3622 117.8650 59.3731 29.4792 178.7915 61 V 3.5204 7.5906 117.6886 66.4998 31.3088 178.3525 62 V 3.5553 7.7315 117.4746 65.8444 30.9217 177.9000 63 S 3.7092 8.1548 112.9891 60.5504 62.0268 176.0150 64 S 3.8735 7.9011 116.3871 61.2356 62.1451 175.7095 65 I 3.7787 7.2573 119.8985 63.0315 37.9422 177.2323 66 E 4.0235 7.7663 120.5486 59.7614 29.3290 178.5350 67 Q 4.0468 7.1991 116.1481 58.3186 30.1326 178.5564 68 K 4.0737 7.3896 120.1371 55.7323 29.4106 175.9793 *72 A 4.1502 7.6706 125.7406 51.8054 20.3533 178.1172 73 E 4.0333 8.5288 117.8164 59.4725 29.9943 179.4355 74 K 3.3917 8.0275 118.9569 59.2757 31.9373 178.1575 75 K 4.1249 7.8970 118.3010 58.3219 32.5408 177.5032 76 Q 4.2820 7.5164 118.3164 58.1478 29.4962 177.4471 77 Q 4.1928 8.9213 120.2358 58.7152 28.7007 178.3647 78 M 3.9754 7.6680 118.3185 58.6897 32.2486 178.1585 79 A 4.1618 7.8424 120.3569 54.6884 18.5676 179.3735 80 R 4.5526 8.4187 119.0487 59.4734 30.3905 178.7140 81 E 4.0225 8.2638 118.2494 59.5425 29.5123 178.8240 82 Y 4.4462 7.7598 119.0126 60.4981 38.8387 177.5006 83 R 3.8880 7.9749 119.0409 58.4988 30.2390 177.8035 84 E 4.2858 7.8894 118.2924 58.3162 29.7324 178.6900 85 K 4.0267 7.8464 119.7597 59.4737 32.2818 179.0354 86 I 3.7096 7.6082 119.8717 64.1818 37.0567 177.7364 87 E 3.9863 8.3338 120.5617 59.8572 29.3815 179.1926 88 T 4.0972 7.8892 109.0585 64.6064 68.6091 176.2200 89 E 3.9130 8.0316 121.7962 59.0077 29.7496 178.6478 90 L 3.9775 8.5636 120.8016 58.1076 42.3179 178.8951 91 R 3.9358 8.3717 119.0122 59.2044 29.9188 178.3772 92 D 4.3027 8.3253 119.0865 57.3248 40.8888 178.4472 93 I 3.6974 7.3983 119.9744 64.7963 37.1899 178.1335 94 C 4.1440 7.9146 116.7665 63.1263 28.0040 176.1232 95 N 4.3455 8.0066 117.5906 56.1094 38.0317 177.3885 96 D 4.2131 7.9027 120.4167 57.1985 40.8767 178.9271 97 V 2.9329 7.0751 118.5423 65.8125 31.3663 177.9139 98 L 3.6361 7.8383 119.0184 57.7123 41.2338 179.6986 99 S 3.9838 7.9476 112.9020 61.3444 62.4222 175.9275 100 L 3.9499 8.2082 123.2524 57.7655 41.5448 178.9714 101 L 3.9068 7.8348 119.1853 57.7240 41.6812 179.0877 102 E 4.0170 8.1097 117.0273 58.8446 29.4154 178.8988 103 K 4.1384 8.2515 117.7436 57.6530 32.6618 176.2639 104 F 4.5727 8.0234 113.3508 58.6771 41.5754 176.2609 105 L 3.3826 7.8080 119.5694 58.3862 42.0637 179.8352 106 I 3.7318 8.1903 121.2593 64.4014 37.3826 176.4691 107 P 4.3655 0.0000 0.0000 64.5480 31.5347 176.3264 108 N 4.8529 7.5087 115.6376 50.3428 38.3609 172.2730 109 A 4.8421 7.5022 119.8268 51.8613 21.2138 176.6839 110 S 4.2105 8.7429 120.3879 61.1923 63.5571 174.7380 111 Q 3.8371 8.0947 118.4192 56.2586 29.0214 178.3038 112 A 3.6130 8.9371 126.7921 55.1835 18.3311 178.7086 113 E 4.2440 8.1533 112.3909 58.2873 30.5570 178.9019 114 S 4.1679 9.0188 117.8153 61.0780 63.0096 176.4668 115 K 4.4842 8.1132 120.5743 58.6743 31.7960 178.8507 116 V 3.8540 7.8239 118.7333 62.8719 32.1149 178.2145 117 F 3.9546 7.7831 121.2425 61.5556 39.2677 176.8653 118 Y 4.3871 8.5889 116.7830 61.1218 37.6846 178.3776 119 L 3.9780 7.7666 120.9025 57.5752 42.1155 179.0609 120 K 3.9748 7.8993 119.9752 59.6282 32.2055 178.4253 121 M 3.9963 7.7333 119.0313 58.5145 31.9704 178.4469 122 K 3.8499 8.2677 119.7551 59.7575 32.1376 178.9409 123 G 2.3317 7.6108 105.6426 47.2098 0.0000 175.3366 124 D 4.5553 7.8774 122.8177 56.9993 40.9919 178.5253 125 Y 3.7602 8.3724 117.2731 61.1346 37.8643 178.4297 126 Y 4.0935 7.6171 117.3313 60.7354 37.7925 178.2866 127 R 3.9488 7.3192 120.0984 59.5235 30.0247 178.1705 128 Y 4.4938 7.4016 117.9600 60.2698 37.5858 177.8918 129 L 3.9762 7.7903 119.9898 57.3573 42.0702 178.1957 130 A 4.2631 7.7328 120.3657 54.5165 18.6756 178.9939 131 E 3.8914 8.2083 117.3491 59.9366 29.4289 179.8511 132 V 3.0478 6.9654 110.3135 61.7283 32.0511 176.8868 133 A 4.0433 6.8431 121.7484 52.2163 18.7402 176.4855 134 A 4.7262 8.0806 123.4067 51.3011 23.0544 177.3504 135 G 3.8882 8.6291 105.3848 45.3363 0.0000 173.4314 136 D 4.4812 8.7417 117.6087 57.3859 41.3437 178.2114 137 D 4.4977 8.1869 118.4247 56.2482 38.8416 177.4907 138 K 3.7984 8.0473 120.9346 59.4033 31.4769 177.8032 139 K 3.8883 8.1717 119.5073 59.8735 32.0553 179.0938 140 G 3.5903 7.8947 106.0272 47.7117 0.0000 175.8142 141 I 3.7376 8.0280 122.3159 63.6350 37.0548 178.5863 142 V 3.6976 7.7150 118.7976 65.6037 31.3789 177.3568 143 D 4.3273 7.6155 117.0505 57.1465 41.2830 178.1277 144 Q 3.6155 7.4645 118.5623 58.6241 28.4061 179.0278 145 S 3.4462 7.2799 114.1290 60.9925 62.4770 175.4563 146 Q 3.3500 7.0550 122.2168 59.4244 28.7419 178.9104 147 Q 3.9316 7.9328 118.2025 58.9937 28.3392 178.8542 148 A 3.9183 7.4763 121.1338 55.2204 18.3317 179.3706 149 Y 3.9725 7.7941 115.4812 61.0985 37.7011 178.3642 150 Q 4.4395 8.3625 120.8149 59.5020 28.4053 177.9856 151 E 3.9369 8.9081 120.1585 58.7810 29.4322 178.3482 152 A 4.4875 7.6103 119.3514 54.1527 19.3273 178.9099 153 F 4.4098 9.0958 119.6647 61.9260 39.3463 177.3175 154 E 3.4438 8.4028 116.6147 59.3111 29.2315 179.2407 155 I 3.9126 7.0219 120.0779 64.2413 37.4940 178.2019 156 S 4.3617 8.3503 115.3714 60.9250 62.7836 175.9880 157 K 4.2331 8.1481 120.1121 56.2861 31.4576 177.7377 158 K 4.5009 7.7689 113.5105 56.7521 34.5426 176.2564 159 E 4.7774 7.8589 115.5544 57.0631 35.1556 175.1573 160 M 4.8135 7.6929 117.9384 52.8408 36.1814 174.8617 161 Q 4.0975 8.6328 120.8616 55.7998 29.4721 175.6554 162 P 4.4370 0.0000 0.0000 64.5180 31.5264 177.4669 163 T 4.4218 7.5961 107.4964 62.3789 70.1029 175.2204 164 H 4.2532 8.7189 124.1553 55.2364 30.9980 173.2404 165 P 4.1985 0.0000 0.0000 66.4233 30.8863 178.2793 166 I 3.7929 7.8079 119.8210 64.1087 37.1038 178.2344 167 R 4.0384 8.1785 118.5385 59.1492 29.9241 178.4195 168 L 4.1939 8.0762 119.3219 57.7007 41.6909 179.5838 169 G 3.6428 9.0181 106.6612 47.6557 0.0000 175.2924 170 L 3.9764 8.3498 122.9846 57.9755 42.1156 179.0167 171 A 3.9952 8.2579 120.5609 54.9990 18.3906 179.1331 172 L 3.8759 8.2795 119.2238 58.6708 41.9929 179.0658 173 N 4.3635 8.5005 115.5318 56.0280 38.7532 176.9957 174 F 3.5985 8.1825 122.5387 61.1816 39.5073 177.0350 175 S 4.2938 8.6484 114.2743 61.9998 62.5789 176.7789 176 V 4.1231 8.1177 121.4946 65.4441 31.2348 177.8116 177 F 4.3046 8.4233 120.7496 61.5944 39.1970 176.7409 178 Y 3.8220 8.0358 115.8560 61.5325 37.4714 177.2193 179 Y 3.7065 7.9592 119.7931 60.4006 38.9008 177.5892 180 E 4.1456 8.5722 120.3932 60.1092 30.0504 178.6651 181 I 3.7805 7.5884 118.4731 64.0551 37.6653 177.1882 182 L 3.9939 7.7526 122.3985 59.5300 42.1652 178.0416 183 N 3.8671 6.8769 111.1896 54.6847 36.2691 175.5080 184 S 4.5232 7.6503 116.0055 55.2615 61.6902 172.3104 185 P 4.0434 0.0000 0.0000 64.5092 30.9112 178.3533 186 E 3.9630 7.1672 120.0311 57.7251 28.6747 178.0399 187 K 4.0191 8.0841 122.3791 58.5638 32.1665 178.5993 188 A 3.7750 7.3816 120.9109 55.6891 18.1083 179.4018 189 C 4.3529 7.7006 114.2583 62.2561 27.8187 175.9617 190 S 3.9937 7.8952 116.4052 62.2455 62.3239 176.3920 191 L 4.0467 7.7122 121.0397 57.2857 41.7854 178.6761 192 A 4.0688 7.3902 121.2766 55.4441 18.2826 179.4294 193 K 4.1124 8.6251 116.7155 60.0542 32.1569 179.5891 194 T 4.0601 7.7521 114.2198 67.1279 68.0303 176.2716 195 A 4.1131 8.5294 122.4155 54.6995 18.3771 179.5901 196 F 4.3760 8.0297 119.3345 61.6482 39.7299 177.3694 197 D 3.8981 8.7861 119.4389 57.2798 40.3516 178.7104 198 E 3.9966 8.2565 118.1194 59.1020 29.4311 178.8614 199 A 4.3610 7.5225 121.6375 54.2632 18.4755 179.7267 200 I 3.6837 7.5833 118.3382 64.1185 36.8408 178.1066 201 A 3.9933 7.4230 120.4557 55.0130 18.4365 178.2938 202 E 4.4660 7.3764 114.6251 56.0646 29.8063 177.7393 203 L 4.0036 7.8647 124.2322 58.4141 41.9688 177.9433 204 D 4.5877 8.0567 114.1048 54.4038 39.6654 176.4302 205 T 3.7902 8.1986 118.0563 62.8571 69.1065 176.0956 206 L 3.7342 7.8795 123.0908 55.8195 38.3603 174.8148 207 S 4.2195 7.4921 118.7115 57.2520 63.4898 174.8601 208 E 3.7115 8.7085 123.4192 57.9841 29.0792 177.6624 209 E 4.3090 8.7153 119.6922 57.4149 30.8913 176.9706 210 S 4.0860 8.6984 113.8697 62.5166 63.1313 178.6579 211 Y 3.6272 6.5930 116.2081 57.7242 41.3356 176.5680 212 K 3.2099 7.0104 116.4940 59.0127 32.3009 178.3553 213 D 4.3998 8.0277 118.5847 58.0934 41.2297 179.3740 214 S 4.1461 7.9823 115.3772 61.9321 62.8628 176.9672 215 T 3.8574 7.7634 112.1041 64.7829 68.4942 176.0455 216 L 3.8888 8.1806 122.6253 57.6291 41.2063 179.7490 217 I 3.6167 7.8071 119.0780 64.8529 37.1030 178.2075 218 M 4.2679 8.0129 119.4625 58.6449 31.2970 178.7690 219 Q 3.8169 8.2453 119.4665 59.2175 29.2980 178.2508 220 L 4.6977 7.5470 121.2055 57.2503 41.6704 179.4011 221 L 3.8294 8.8652 119.4515 57.8476 41.4856 179.7375 222 R 3.4109 8.0100 118.6341 59.2649 30.1312 177.9624 223 D 4.2010 8.9120 119.3299 57.4820 40.5109 178.6898 224 N 3.4490 7.8465 116.1427 55.9601 38.6569 176.7380 225 L 4.2820 7.2127 119.6275 59.1483 41.7154 179.1753 226 T 3.8573 8.1317 115.3111 67.0094 68.0228 175.5911 227 L 4.3018 7.7414 118.8110 55.9335 41.7234 178.4867 228 W 4.8200 7.6369 119.4245 56.6153 30.0821 176.3310 229 T 4.4756 7.5397 117.4364 62.5010 70.0456 175.5073 *230 S 4.2715 8.4194 118.6673 58.5173 63.0141 174.8177 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 -1 G 8.34 3.96 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 0.00 0.00 0.00 0 S 8.33 4.03 0.00 4.07 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.81 4.69 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 2 D 8.18 4.59 0.00 2.76 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 3 K 8.47 3.91 0.00 1.82 1.81 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.44 7.81 4 N 8.28 4.35 0.00 2.82 2.93 0.00 0.00 6.65 7.69 0.00 0.00 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 E 8.31 3.97 0.00 2.36 1.89 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 2.29 2.35 0.00 6 L 7.61 3.97 0.00 1.90 1.82 0.89 0.71 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 7 V 7.25 3.57 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 1.03 0.00 0.00 0.98 0.00 0.00 8 Q 7.92 3.94 0.00 2.32 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.53 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 9 K 8.51 3.84 0.00 1.86 1.84 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.75 7.81 10 A 8.27 3.96 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.76 4.01 0.00 1.86 1.84 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.64 7.81 12 L 8.09 4.04 0.00 1.72 1.77 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.04 3.94 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 14 E 7.78 3.46 0.00 1.92 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 15 Q 7.53 3.96 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 16 A 7.45 4.16 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.96 3.34 0.00 2.03 2.03 0.00 0.00 0.00 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 2.24 0.00 18 R 7.49 4.51 0.00 1.68 1.86 0.00 3.09 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.70 0.00 19 Y 7.90 4.02 0.00 3.01 3.02 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 20 D 8.19 4.36 0.00 2.79 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 21 D 7.96 4.28 0.00 2.84 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 22 M 8.22 3.91 0.00 2.12 1.91 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.53 0.00 23 A 8.70 3.52 0.71 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 0.00 0.00 24 A 7.75 3.89 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 25 C 8.01 4.10 0.00 3.10 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.61 4.12 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 27 K 7.95 3.93 0.00 2.05 1.98 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.41 7.81 28 S 7.74 4.15 0.00 4.00 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 29 V 7.36 3.70 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 0.97 0.00 0.00 0.96 0.00 0.00 30 T 7.82 3.82 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 1.03 0.00 0.00 31 E 7.50 3.03 0.00 1.87 1.77 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 1.47 2.03 0.00 32 Q 7.67 4.17 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.51 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 33 G 8.34 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 0.00 0.00 0.00 0.00 34 A 7.70 4.10 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 35 E 8.47 4.30 0.00 2.06 1.86 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 2.46 2.62 0.00 36 L 8.47 4.57 0.00 1.92 1.70 1.11 1.00 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 37 S 9.00 4.44 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.66 4.22 0.00 2.71 2.85 0.00 0.00 6.45 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 39 E 8.01 3.88 0.00 2.02 1.92 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 2.37 2.40 0.00 40 E 7.95 3.95 0.00 2.04 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 2.34 2.33 0.00 41 R 8.63 4.00 0.00 1.90 1.78 0.00 2.21 0.00 0.00 2.58 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.61 0.00 42 N 7.86 4.30 0.00 2.83 2.94 0.00 0.00 7.14 7.02 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 43 L 8.16 3.73 0.00 1.96 1.76 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.10 3.98 0.00 1.97 2.02 1.11 1.08 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 45 S 8.36 4.35 0.00 4.43 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.88 3.63 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 1.17 0.00 0.00 1.09 0.00 0.00 47 A 8.17 4.19 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 48 Y 8.23 4.33 0.00 3.25 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 49 K 8.58 4.30 0.00 2.25 1.85 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.49 7.81 50 N 8.12 4.11 0.00 2.81 2.27 0.00 0.00 6.71 7.59 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 51 V 7.70 3.60 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 1.11 0.00 0.00 1.07 0.00 0.00 52 V 8.54 3.54 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 0.72 0.00 0.00 0.81 0.00 0.00 53 G 7.81 3.45 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 0.00 0.00 0.00 54 A 7.65 4.01 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 55 R 7.57 3.90 0.00 1.96 1.99 0.00 3.19 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 56 R 8.12 3.94 0.00 1.82 1.87 0.00 2.21 0.00 0.00 2.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.53 0.00 57 S 8.14 4.11 0.00 3.88 4.06 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 0.00 0.00 0.00 0.00 58 S 8.29 4.15 0.00 4.01 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 59 W 8.51 3.93 0.00 3.51 3.43 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 60 R 8.36 3.79 0.00 2.14 2.03 0.00 3.32 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 61 V 7.59 3.52 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 0.98 0.00 0.00 0.95 0.00 0.00 62 V 7.73 3.56 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.89 0.00 0.00 63 S 8.15 3.71 0.00 2.72 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 64 S 7.90 3.87 0.00 3.91 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 65 I 7.26 3.78 1.85 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 1.39 0.91 0.93 0.00 0.00 66 E 7.77 4.02 0.00 2.04 1.94 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 2.26 2.31 0.00 67 Q 7.20 4.05 0.00 1.86 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.15 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 68 K 7.39 4.07 0.00 1.77 1.77 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.62 7.81 *72 A 7.67 4.15 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 73 E 8.53 4.03 0.00 2.07 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 2.38 2.42 0.00 74 K 8.03 3.39 0.00 1.81 1.81 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.50 7.81 75 K 7.90 4.12 0.00 1.78 1.88 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.48 7.81 76 Q 7.52 4.28 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.56 0.00 77 Q 8.92 4.19 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 78 M 7.67 3.98 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.65 0.00 79 A 7.84 4.16 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 80 R 8.42 4.55 0.00 1.93 2.09 0.00 3.27 0.00 0.00 3.29 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 81 E 8.26 4.02 0.00 2.12 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 2.36 2.65 0.00 82 Y 7.76 4.45 0.00 3.20 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 7.97 3.89 0.00 1.67 1.99 0.00 3.48 0.00 0.00 3.43 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.19 0.00 84 E 7.89 4.29 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 85 K 7.85 4.03 0.00 1.97 2.09 0.00 1.81 0.00 0.00 1.97 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.55 7.81 86 I 7.61 3.71 1.85 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.33 0.96 0.00 0.00 87 E 8.33 3.99 0.00 2.59 2.24 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 2.36 2.33 0.00 88 T 7.89 4.10 4.27 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 1.30 0.00 0.00 89 E 8.03 3.91 0.00 2.35 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 0.00 2.33 2.35 0.00 90 L 8.56 3.98 0.00 1.84 1.78 0.76 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.37 3.94 0.00 2.05 2.01 0.00 3.15 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 92 D 8.33 4.30 0.00 2.94 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 93 I 7.40 3.70 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.04 1.10 0.00 0.00 94 C 7.91 4.14 0.00 3.14 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 95 N 8.01 4.35 0.00 2.88 2.80 0.00 0.00 7.07 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 96 D 7.90 4.21 0.00 2.70 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 97 V 7.08 2.93 1.09 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 0.05 0.00 0.00 -0.73 0.00 0.00 98 L 7.84 3.64 0.00 1.66 1.36 0.54 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.95 3.98 0.00 3.90 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 0.00 100 L 8.21 3.95 0.00 1.86 1.61 0.60 0.68 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 0.00 101 L 7.83 3.91 0.00 1.78 1.61 0.79 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.11 4.02 0.00 1.91 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 2.35 2.50 0.00 103 K 8.25 4.14 0.00 1.95 1.51 0.00 1.54 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.60 7.81 104 F 8.02 4.57 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 0.00 105 L 7.81 3.38 0.00 1.51 0.54 0.74 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.19 3.73 1.93 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 1.41 0.56 0.95 0.00 0.00 107 P 0.00 4.37 0.00 1.97 2.07 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 108 N 7.51 4.85 0.00 2.63 2.84 0.00 0.00 6.90 7.39 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 0.00 109 A 7.50 4.84 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.74 4.21 0.00 3.94 3.89 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 0.00 111 Q 8.09 3.84 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.84 0.00 0.00 0.00 0.00 0.00 2.48 2.34 0.00 112 A 8.94 3.61 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 0.00 113 E 8.15 4.24 0.00 2.23 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 0.00 2.34 2.37 0.00 114 S 9.02 4.17 0.00 4.04 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 0.00 115 K 8.11 4.48 0.00 2.03 1.94 0.00 1.69 0.00 0.00 1.91 0.00 0.00 3.31 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.62 1.68 7.81 116 V 7.82 3.85 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 0.91 0.00 0.00 1.09 0.00 0.00 117 F 7.78 3.95 0.00 3.20 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 0.00 118 Y 8.59 4.39 0.00 3.19 2.97 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 0.00 119 L 7.77 3.98 0.00 2.14 1.71 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 120 K 7.90 3.97 0.00 1.99 1.88 0.00 1.71 0.00 0.00 1.52 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.59 7.81 121 M 7.73 4.00 0.00 2.21 2.36 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 122 K 8.27 3.85 0.00 1.78 1.94 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.53 1.51 7.81 123 G 7.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 7.88 4.56 0.00 2.66 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 0.00 0.00 0.00 0.00 125 Y 8.37 3.76 0.00 2.79 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 0.00 126 Y 7.62 4.09 0.00 2.91 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 0.00 127 R 7.32 3.95 0.00 1.82 1.85 0.00 3.43 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 128 Y 7.40 4.49 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 0.00 129 L 7.79 3.98 0.00 1.91 1.91 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.73 4.26 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 0.00 0.00 131 E 8.21 3.89 0.00 1.98 1.77 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 2.37 2.70 0.00 132 V 6.97 3.05 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 -0.44 0.00 0.00 0.78 0.00 0.00 133 A 6.84 4.04 1.37 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 0.00 0.00 134 A 8.08 4.73 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 0.00 135 G 8.63 3.89 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 0.00 0.00 0.00 136 D 8.74 4.48 0.00 2.73 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 0.00 137 D 8.19 4.50 0.00 2.95 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 0.00 138 K 8.05 3.80 0.00 2.03 1.78 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.45 1.62 7.81 139 K 8.17 3.89 0.00 1.85 1.84 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.56 7.81 140 G 7.89 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 0.00 0.00 0.00 141 I 8.03 3.74 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.86 1.09 0.00 0.00 142 V 7.71 3.70 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 1.19 0.00 0.00 1.02 0.00 0.00 143 D 7.62 4.33 0.00 3.01 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 Q 7.46 3.62 0.00 1.14 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.61 0.00 0.00 0.00 0.00 0.00 2.13 1.92 0.00 145 S 7.28 3.45 0.00 3.53 3.43 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 0.00 146 Q 7.06 3.35 0.00 2.39 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.57 0.00 0.00 0.00 0.00 0.00 2.54 2.73 0.00 147 Q 7.93 3.93 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 148 A 7.48 3.92 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 7.79 3.97 0.00 2.00 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 0.00 150 Q 8.36 4.44 0.00 2.50 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.77 0.00 0.00 0.00 0.00 0.00 2.54 2.70 0.00 151 E 8.91 3.94 0.00 2.19 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 2.34 2.36 0.00 152 A 7.61 4.49 1.50 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 0.00 0.00 153 F 9.10 4.41 0.00 3.56 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.40 3.44 0.00 2.12 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 2.36 2.49 0.00 155 I 7.02 3.91 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.71 0.94 0.00 0.00 156 S 8.35 4.36 0.00 4.10 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 0.00 157 K 8.15 4.23 0.00 0.79 1.51 0.00 1.70 0.00 0.00 1.19 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.23 1.10 7.81 158 K 7.77 4.50 0.00 1.76 1.70 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.40 7.81 159 E 7.86 4.78 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 160 M 7.69 4.81 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 161 Q 8.63 4.10 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.62 0.00 162 P 0.00 4.44 0.00 2.35 2.19 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 163 T 7.60 4.42 4.29 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 1.24 0.00 0.00 164 H 8.72 4.25 0.00 3.31 3.34 0.00 5.80 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 P 0.00 4.20 0.00 2.28 2.28 0.00 3.35 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.97 0.00 166 I 7.81 3.79 2.12 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.77 1.08 0.00 0.00 167 R 8.18 4.04 0.00 1.98 2.16 0.00 3.45 0.00 0.00 3.42 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 168 L 8.08 4.19 0.00 2.03 1.75 1.06 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 169 G 9.02 3.64 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 0.00 0.00 0.00 170 L 8.35 3.98 0.00 1.95 2.05 1.01 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 171 A 8.26 4.00 1.51 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 0.00 172 L 8.28 3.88 0.00 1.83 1.82 0.86 0.52 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 0.00 173 N 8.50 4.36 0.00 2.56 2.78 0.00 0.00 7.10 7.37 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 0.00 174 F 8.18 3.60 0.00 2.96 2.81 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 0.00 175 S 8.65 4.29 0.00 4.55 4.27 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 0.00 176 V 8.12 4.12 2.39 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 1.19 0.00 0.00 1.08 0.00 0.00 177 F 8.42 4.30 0.00 3.25 3.36 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 0.00 178 Y 8.04 3.82 0.00 3.17 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 0.00 179 Y 7.96 3.71 0.00 2.44 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 E 8.57 4.15 0.00 2.33 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 0.00 2.54 2.73 0.00 181 I 7.59 3.78 1.64 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.06 0.96 0.00 0.00 182 L 7.75 3.99 0.00 0.79 1.42 0.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 183 N 6.88 3.87 0.00 2.73 3.06 0.00 0.00 6.90 7.57 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 0.00 184 S 7.65 4.52 0.00 3.83 3.67 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 0.00 185 P 0.00 4.04 0.00 2.08 1.75 0.00 3.70 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.81 0.00 186 E 7.17 3.96 0.00 1.91 1.75 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 2.31 2.36 0.00 187 K 8.08 4.02 0.00 0.81 0.97 0.00 1.80 0.00 0.00 1.40 0.00 0.00 2.41 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.23 1.09 7.81 188 A 7.38 3.77 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 C 7.70 4.35 0.00 2.93 3.08 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 0.00 190 S 7.90 3.99 0.00 3.79 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 0.00 191 L 7.71 4.05 0.00 1.42 1.40 0.90 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 192 A 7.39 4.07 1.63 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 0.00 0.00 193 K 8.63 4.11 0.00 1.88 2.13 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.70 7.81 194 T 7.75 4.06 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 195 A 8.53 4.11 1.48 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 0.00 0.00 196 F 8.03 4.38 0.00 3.12 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 0.00 197 D 8.79 3.90 0.00 2.62 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 0.00 0.00 0.00 0.00 198 E 8.26 4.00 0.00 2.05 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 2.36 2.48 0.00 199 A 7.52 4.36 1.51 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 0.00 200 I 7.58 3.68 1.75 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.18 0.79 0.00 0.00 201 A 7.42 3.99 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 0.00 202 E 7.38 4.47 0.00 2.10 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 2.27 2.27 0.00 203 L 7.86 4.00 0.00 1.79 1.70 0.95 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 204 D 8.06 4.59 0.00 2.82 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 0.00 205 T 8.20 3.79 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 1.23 0.00 0.00 206 L 7.88 3.73 0.00 1.83 2.24 1.11 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 207 S 7.49 4.22 0.00 3.85 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 E 8.71 3.71 0.00 1.98 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 2.26 2.22 0.00 209 E 8.72 4.31 0.00 1.96 1.86 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 2.29 2.29 0.00 210 S 8.70 4.09 0.00 3.98 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 0.00 211 Y 6.59 3.63 0.00 3.35 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 0.00 212 K 7.01 3.21 0.00 1.67 1.55 0.00 1.58 0.00 0.00 1.32 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.41 7.81 213 D 8.03 4.40 0.00 2.65 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 0.00 214 S 7.98 4.15 0.00 4.11 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.76 3.86 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 216 L 8.18 3.89 0.00 1.78 1.74 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 217 I 7.81 3.62 2.02 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 1.52 1.02 0.95 0.00 0.00 218 M 8.01 4.27 0.00 2.36 2.36 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.75 0.00 219 Q 8.25 3.82 0.00 2.37 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 220 L 7.55 4.70 0.00 1.85 1.59 0.87 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 221 L 8.87 3.83 0.00 1.74 1.61 1.02 0.84 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 0.00 222 R 8.01 3.41 0.00 0.88 1.73 0.00 2.94 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.31 0.00 223 D 8.91 4.20 0.00 2.63 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 0.00 224 N 7.85 3.45 0.00 2.34 1.42 0.00 0.00 7.05 7.57 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 0.00 225 L 7.21 4.28 0.00 1.74 1.74 0.89 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 226 T 8.13 3.86 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 227 L 7.74 4.30 0.00 1.41 1.59 0.83 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 228 W 7.64 4.82 0.00 3.43 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 0.00 229 T 7.54 4.48 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 *230 S 8.42 4.27 0.00 3.60 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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.