NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.5220 8.0560 112.3145 60.9207 71.4132 176.4240 5 E 3.8576 8.2933 121.1704 60.3355 29.5594 179.6484 6 I 3.8647 8.5240 120.9151 63.9992 38.0530 177.1861 7 D 4.6022 8.0286 119.1988 57.3906 40.7510 178.5036 8 L 4.0693 8.5449 119.7534 57.9792 41.6457 179.8762 9 R 3.9297 8.0215 117.8432 59.3519 30.0406 179.2265 10 L 4.0350 8.1991 118.8374 57.8833 41.3443 179.5438 11 T 4.0184 8.2500 115.5074 66.7922 68.5771 176.0718 12 E 4.1184 8.1899 120.3348 59.4695 29.4272 179.6137 13 V 3.5741 7.8279 118.2736 66.0707 31.3641 178.1657 14 S 4.8101 7.9039 114.9198 60.5301 62.7520 176.0967 15 Q 4.2128 7.7613 120.1465 57.9440 28.4514 176.8008 16 Q 4.5490 8.3493 116.2233 54.8605 31.5355 175.3257 17 L 4.9511 7.6376 116.7116 53.1348 45.6757 175.8414 18 T 4.8393 8.1133 119.0034 61.9589 72.3561 173.0426 *20 V 4.2947 8.1794 122.2921 63.5787 33.0715 175.6367 21 L 4.7947 8.9370 129.5680 54.4757 43.1884 176.4250 22 V 4.7977 9.0791 124.6516 60.2287 32.7845 173.1255 23 P 5.0535 0.0000 0.0000 61.9660 32.3613 176.9842 24 G 4.3647 8.4136 111.5009 44.7973 0.0000 172.7917 25 L 4.4910 8.5046 123.1307 56.7081 42.5828 178.3901 26 R 4.0389 9.8305 123.1782 55.9523 28.4069 176.1729 27 D 3.6107 7.8638 118.4194 53.0717 41.7314 172.9915 28 S 4.1841 7.5974 117.1922 56.6871 63.2239 174.4122 29 D 4.4924 8.3484 125.4326 54.1191 41.1946 177.4634 30 D 4.3534 8.5231 119.7854 57.2221 40.9980 177.6686 31 E 4.3915 8.0040 116.5444 56.7959 30.4654 175.5985 32 H 4.7503 8.1586 121.3379 54.9269 31.7557 175.6740 33 W 4.8037 8.3676 125.4590 59.4314 27.7625 178.5571 34 Q 3.5556 6.8566 118.0960 58.5423 27.9581 178.7242 35 S 4.1507 7.6685 115.8045 61.5030 63.0694 175.8136 36 H 4.1190 8.2863 119.0562 59.1022 28.4991 177.7992 37 W 4.4376 8.7801 120.6742 59.7232 28.7214 178.1228 38 E 4.0450 8.3969 118.4208 59.6415 29.1316 178.9175 39 R 4.0207 8.0426 116.9452 59.1878 30.1734 178.7180 40 R 3.8678 7.7957 117.6155 57.4743 31.4944 176.4510 41 F 4.5516 7.6885 117.2065 54.0449 39.0097 173.3640 42 P 4.4189 0.0000 0.0000 65.2168 31.6700 177.4213 43 H 4.6358 8.2354 111.7604 56.5618 29.2015 175.8146 44 W 4.4766 8.0276 120.5673 57.0735 29.5130 175.5177 45 Q 4.7254 8.4506 119.8164 55.2782 30.9840 174.5747 46 R 5.1623 8.1447 119.8803 55.0792 33.0129 174.5779 47 I 4.0877 8.6366 120.7617 61.0458 38.4006 175.6790 48 R 5.0222 8.5187 122.5701 54.7934 33.2173 175.0001 49 Q 4.3419 8.5357 120.7049 54.7128 32.7757 176.1989 50 R 4.1084 8.4860 120.8256 59.0783 29.8382 178.7593 51 E 4.9280 7.5618 111.2964 54.0988 33.6286 178.1199 52 W 4.7770 8.7050 119.4260 55.9956 30.8583 176.9422 53 Y 4.2799 8.6250 123.2108 60.4403 38.5417 176.5767 54 Q 4.5487 7.9405 115.9205 52.3567 31.5670 176.7421 55 A 3.0752 8.2616 125.6444 51.1546 18.9240 177.4720 56 D 4.4338 7.7756 122.1187 51.8552 43.4949 175.4546 57 L 3.9825 8.7375 129.3841 58.5030 42.2086 178.1133 58 D 4.4231 8.3093 118.1840 57.6677 40.7498 179.1598 59 R 3.9078 8.5883 118.1978 59.0797 30.0369 179.1095 60 W 3.9419 8.5394 118.7185 59.8083 28.9946 178.7488 61 V 3.6148 8.2201 118.3270 65.8958 30.9217 177.8248 62 L 3.9077 8.2202 119.9791 58.0053 41.9331 178.7019 63 A 3.9139 8.0553 120.7487 55.1515 18.1856 179.5821 64 I 3.6127 7.9413 118.3307 64.8135 37.3099 178.8633 65 R 3.9148 8.2434 118.9562 59.3546 29.6034 179.3925 66 R 3.9149 8.1817 117.5513 59.1308 30.2107 178.3981 67 E 4.0803 8.1749 119.1100 59.3513 29.8080 178.8546 68 L 4.0271 8.2873 119.5389 57.7381 41.3840 179.6673 69 S 4.2149 7.8528 113.4497 60.6576 62.9734 175.3921 70 V 4.1661 7.2332 113.2435 61.0624 31.9070 175.3480 71 C 4.4476 7.6552 119.1037 59.2875 28.5867 173.8588 72 T 4.2472 8.4825 113.9955 62.3051 69.3753 174.5332 73 Q 4.6878 7.5918 120.0766 52.9729 31.6750 173.2623 74 P 4.5810 0.0000 0.0000 63.3042 32.7278 175.7878 75 V 4.8928 8.5667 115.5154 59.6958 35.0352 174.6537 76 I 5.4133 8.0030 124.4039 58.9503 38.9260 175.2826 77 L 4.4784 8.5129 127.5681 54.2615 43.3548 175.8850 78 I 4.5652 9.3044 125.9690 59.6545 38.7402 174.6021 79 G 4.4968 8.6369 114.0626 44.6722 0.0000 169.5134 80 H 5.6950 8.8647 121.8420 54.3772 33.0471 173.4993 81 S 4.3250 9.1167 120.0047 58.2674 63.0552 174.7140 82 F 3.7751 9.1320 120.8307 60.8798 38.6158 175.7750 83 G 3.7668 8.4625 105.4306 47.5889 0.0000 175.6153 84 A 4.0093 7.7316 122.7665 54.9408 18.3263 179.6899 85 L 3.6292 7.5552 116.8098 57.7275 41.6124 179.4583 86 A 3.7230 7.5154 120.4215 54.8051 18.3665 179.4696 87 A 3.8569 7.9160 119.2788 55.3925 18.4732 179.3003 88 C 3.6487 7.9948 117.3996 62.7608 31.4902 175.1817 89 H 3.9770 8.2863 120.0425 59.3076 29.4968 177.1422 90 V 3.5112 7.8603 120.0321 66.0559 31.2691 178.1926 91 V 3.5224 7.5924 117.5142 66.2087 31.2151 178.1227 92 Q 4.0437 8.2092 116.7008 58.5567 28.5845 177.8931 93 Q 4.3066 7.8885 116.8755 55.8429 29.0540 176.4667 94 G 4.0092 7.7843 108.9535 44.9840 0.0000 173.7037 95 Q 3.9066 7.5403 120.1347 56.3932 29.2967 176.4168 96 E 4.3205 8.5938 124.3830 56.3799 31.1554 176.2653 97 G 3.8398 8.8790 107.0475 45.6583 0.0000 172.5749 98 I 4.6877 7.4661 119.6290 59.2630 38.4942 175.3891 99 A 4.1732 9.0052 128.8631 54.4856 19.4081 176.9221 100 G 4.0478 7.4193 100.1841 46.4861 0.0000 172.4722 101 V 5.3330 8.0178 111.5765 58.9351 36.1612 174.9605 *103 L 4.2314 8.4603 121.6289 55.7486 43.2205 175.9410 104 V 4.4598 9.2096 125.4761 61.2282 33.0962 175.8009 105 A 4.1726 8.8139 133.4779 52.4109 16.3957 174.7235 106 P 4.6093 0.0000 0.0000 62.4226 32.5128 176.8329 107 A 4.3471 8.2901 123.3463 51.1991 19.4643 176.9821 108 E 3.9711 8.7339 122.5761 55.8446 30.0014 176.0206 109 P 4.2942 0.0000 0.0000 62.8333 31.8200 178.3427 *111 R 4.1133 8.0256 117.9218 55.6710 31.9129 176.7473 112 F 4.7236 8.1180 113.9246 56.2561 39.5519 174.7945 113 E 3.9159 8.1945 118.1362 57.9622 26.9890 175.0793 114 I 4.7356 7.8843 107.8201 60.5848 38.1341 177.1780 115 D 4.4944 8.3872 122.6687 56.6524 39.2814 176.7988 116 D 4.6259 8.1526 117.6584 54.5980 39.8978 176.7280 117 R 4.5689 8.1470 117.5634 55.8187 31.5487 175.4877 118 I 4.5267 7.7757 119.1399 59.4765 39.0490 174.7791 119 Q 4.7254 9.1262 124.7078 54.7917 30.3308 176.5820 120 A 4.7599 8.5194 125.4259 50.4791 16.0770 176.3242 121 S 4.7413 8.0373 115.4373 55.2170 67.4794 172.9729 122 P 4.8265 0.0000 0.0000 62.8324 31.2775 176.4965 123 L 4.1822 8.8148 125.1517 54.6868 42.1369 177.9938 124 S 4.3376 8.5311 115.7042 59.2238 63.6317 174.0174 125 V 4.6107 6.9090 113.5785 58.5772 35.2639 173.7789 126 P 4.4743 0.0000 0.0000 63.9250 32.4735 175.5232 127 T 5.2767 8.6837 119.2441 61.6769 72.9620 172.4029 128 L 4.7932 8.3117 126.4965 53.4151 44.7974 175.5768 129 T 5.0115 8.8981 122.8334 61.8389 71.7140 172.8509 130 F 5.2800 9.4227 124.7852 55.7482 41.5711 174.6740 131 A 5.1008 9.3555 124.6246 50.2264 22.5069 174.6909 132 S 5.2630 8.8107 114.3712 57.0434 65.1195 173.6275 133 H 4.7960 9.1546 120.9322 55.7996 29.3143 175.1635 134 N 5.0085 7.6845 116.4919 51.9672 37.3718 173.8943 135 D 4.9358 8.1227 118.0707 53.2685 42.0976 173.5237 136 P 4.3852 0.0000 0.0000 65.8743 31.5930 177.1216 137 L 4.2973 8.2544 117.0219 55.1418 41.5352 176.4539 *139 S 4.5256 7.7839 113.5660 57.9640 65.2715 173.9438 140 F 4.0153 8.5793 124.5106 61.8666 39.2443 177.3852 141 T 4.0737 7.9254 113.5175 64.7133 67.1254 176.1381 142 R 4.0017 8.1668 119.8938 58.8298 30.0119 178.7712 143 A 4.0425 8.1217 121.0982 55.1075 17.8072 179.6994 144 Q 3.7018 7.8464 116.6971 58.9759 28.6872 178.0493 145 Y 3.9038 7.8342 120.5037 60.6730 38.7720 178.5383 146 W 3.0513 8.0472 119.3242 59.1928 29.0089 178.3801 147 A 4.1194 8.0895 121.1466 55.1195 17.8075 179.4429 148 Q 3.7391 7.9343 117.6640 59.2658 28.9422 178.2104 149 A 3.7507 7.2008 120.2787 54.9581 18.6632 179.1234 150 W 4.7946 8.5136 117.1467 56.0350 29.6932 175.8140 151 D 4.3170 7.8208 117.9766 55.0836 39.7098 172.8881 152 S 4.7923 8.4679 111.7577 56.7539 64.3904 173.6714 153 E 4.1113 8.6896 126.8383 56.1660 30.7899 175.1317 154 L 4.9699 8.4458 128.1782 53.3969 44.1571 175.3691 155 V 4.1991 8.7937 127.8529 61.1674 33.2548 174.2786 156 D 5.1760 8.9180 129.0542 53.8419 41.2613 175.5347 157 V 4.1750 8.9098 119.8519 61.1139 32.2138 178.8146 158 G 3.8041 8.7817 109.8622 45.8469 0.0000 174.4664 159 E 4.6601 8.5769 115.2594 55.3396 28.1738 175.4474 160 A 4.8281 8.8161 123.2884 50.8634 20.5714 178.1288 161 G 3.7814 8.3674 107.9653 46.6916 0.0000 174.6076 162 H 4.7825 9.0608 124.9201 55.2399 30.1920 175.4323 163 I 2.4002 7.5510 116.8968 61.2888 34.5466 171.4536 164 N 4.8523 7.2884 116.4448 51.5731 40.8519 175.4279 165 A 4.0454 8.7877 119.8107 55.5799 18.4864 179.6034 166 E 4.0835 8.1905 111.6693 58.3117 30.0591 177.3002 167 A 4.2659 7.6991 120.2219 52.5110 19.2478 177.8911 168 G 3.8188 8.4038 104.9980 45.0066 0.0000 173.6776 169 F 5.0036 8.5483 120.3192 54.8632 38.7139 176.1321 170 G 4.5549 9.2467 110.3836 45.3573 0.0000 170.5392 171 P 4.2202 0.0000 0.0000 63.5312 32.1453 176.8505 172 W 4.1824 8.4791 126.7532 57.8378 28.9411 174.1966 173 E 4.0446 8.3292 120.9095 60.0886 29.3635 178.6822 174 Y 4.1056 8.2440 118.9423 60.6110 38.8241 178.2852 175 G 2.0000 6.2205 106.0286 46.8799 0.0000 175.5641 176 L 3.3219 7.2432 120.9090 57.0289 41.5514 179.3968 177 K 3.7518 7.9213 119.7733 59.6996 32.0549 179.0936 178 R 3.8162 7.5890 118.3300 58.9131 29.8839 178.8069 179 L 3.9789 7.9656 120.2051 57.9585 42.0492 178.7844 180 A 3.8969 8.1295 120.9909 55.2869 18.1262 179.3298 181 E 3.8737 7.8379 115.4535 59.5775 29.5560 179.2952 182 F 4.4082 8.5376 120.9992 61.4468 39.5594 177.4645 183 S 3.7791 8.5796 114.2788 61.1843 62.3183 176.1127 184 E 3.9535 8.1612 122.5648 58.7779 28.9578 178.2940 185 I 4.1226 7.1097 109.9992 61.2831 38.2175 176.1677 186 L 4.3082 7.2448 119.7336 54.8023 42.3913 176.8590 187 I 3.7329 7.0529 120.3992 60.3260 37.4407 174.3555 188 P 4.3731 0.0000 0.0000 63.1641 31.1367 176.0179 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 4 T 8.06 4.52 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 1.21 0.00 0.00 5 E 8.29 3.86 0.00 2.05 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 2.32 1.99 0.00 6 I 8.52 3.86 1.87 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 1.56 0.99 0.94 0.00 0.00 7 D 8.03 4.60 0.00 2.83 2.75 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 8 L 8.54 4.07 0.00 1.86 1.74 0.93 0.92 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 9 R 8.02 3.93 0.00 2.07 2.06 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 10 L 8.20 4.04 0.00 1.78 1.60 0.63 0.48 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 11 T 8.25 4.02 4.45 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 1.25 0.00 0.00 12 E 8.19 4.12 0.00 2.21 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 2.55 2.47 0.00 13 V 7.83 3.57 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 1.01 0.00 0.00 0.93 0.00 0.00 14 S 7.90 4.81 0.00 4.19 4.12 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 15 Q 7.76 4.21 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 16 Q 8.35 4.55 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.62 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 17 L 7.64 4.95 0.00 1.53 1.38 0.78 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.11 4.84 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 1.21 0.00 0.00 *20 V 8.18 4.29 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 0.94 0.00 0.00 0.93 0.00 0.00 21 L 8.94 4.79 0.00 1.73 1.62 1.27 1.26 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 22 V 9.08 4.80 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 1.26 0.00 0.00 1.06 0.00 0.00 23 P 0.00 5.05 0.00 1.80 1.78 0.00 4.05 0.00 0.00 5.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.76 0.00 24 G 8.41 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 0.00 0.00 0.00 0.00 25 L 8.50 4.49 0.00 1.49 1.67 0.92 0.90 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 26 R 9.83 4.04 0.00 2.04 2.14 0.00 3.49 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 27 D 7.86 3.61 0.00 1.58 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 0.00 0.00 0.00 0.00 28 S 7.60 4.18 0.00 3.50 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.35 4.49 0.00 2.68 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 30 D 8.52 4.35 0.00 2.63 2.69 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 0.00 0.00 0.00 0.00 31 E 8.00 4.39 0.00 2.02 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 2.35 2.25 0.00 32 H 8.16 4.75 0.00 3.13 3.07 0.00 5.64 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 W 8.37 4.80 0.00 3.25 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 34 Q 6.86 3.56 0.00 1.50 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.97 0.00 0.00 0.00 0.00 0.00 1.44 1.16 0.00 35 S 7.67 4.15 0.00 4.10 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 36 H 8.29 4.12 0.00 3.55 3.66 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 W 8.78 4.44 0.00 3.83 3.39 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 38 E 8.40 4.04 0.00 2.13 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 0.00 2.36 2.44 0.00 39 R 8.04 4.02 0.00 1.96 1.93 0.00 3.17 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 40 R 7.80 3.87 0.00 1.77 1.56 0.00 3.08 0.00 0.00 3.00 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.19 0.00 41 F 7.69 4.55 0.00 1.52 1.55 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 42 P 0.00 4.42 0.00 2.08 2.14 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 43 H 8.24 4.64 0.00 3.42 3.51 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 W 8.03 4.48 0.00 3.42 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 45 Q 8.45 4.73 0.00 2.03 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 46 R 8.14 5.16 0.00 1.87 1.82 0.00 3.24 0.00 0.00 3.49 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 47 I 8.64 4.09 1.86 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 1.51 0.97 0.95 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.74 3.98 0.00 1.85 1.66 0.51 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.31 4.42 0.00 2.95 2.75 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 59 R 8.59 3.91 0.00 2.18 2.05 0.00 3.13 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 60 W 8.54 3.94 0.00 3.51 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 61 V 8.22 3.61 2.35 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 1.13 0.00 0.00 0.98 0.00 0.00 62 L 8.22 3.91 0.00 1.89 1.79 0.91 1.06 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 63 A 8.06 3.91 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 64 I 7.94 3.61 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 73 Q 7.59 4.69 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.98 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 74 P 0.00 4.58 0.00 2.01 1.93 0.00 3.70 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 2.10 0.00 75 V 8.57 4.89 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 0.75 0.00 0.00 0.94 0.00 0.00 76 I 8.00 5.41 1.74 0.00 0.00 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 1.16 0.04 1.03 0.00 0.00 77 L 8.51 4.48 0.00 1.62 1.61 0.91 0.66 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 78 I 9.30 4.57 2.11 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 1.30 0.69 1.47 0.00 0.00 79 G 8.64 4.50 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 0.00 80 H 8.86 5.69 0.00 3.32 3.16 0.00 5.76 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 9.12 4.32 0.00 3.72 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 82 F 9.13 3.78 0.00 2.43 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 83 G 8.46 3.77 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 0.00 0.00 0.00 84 A 7.73 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.56 3.63 0.00 1.17 1.29 0.85 0.91 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 86 A 7.52 3.72 1.24 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 0.00 0.00 0.00 87 A 7.92 3.86 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 88 C 7.99 3.65 0.00 2.32 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 89 H 8.29 3.98 0.00 3.23 3.36 0.00 5.85 0.00 0.00 0.00 0.00 6.90 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 6.91 4.61 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 0.71 0.00 0.00 0.93 0.00 0.00 126 P 0.00 4.47 0.00 2.12 2.13 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 127 T 8.68 5.28 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 1.18 0.00 0.00 128 L 8.31 4.79 0.00 0.57 0.99 0.60 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.90 5.01 4.42 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 1.37 0.00 0.00 130 F 9.42 5.28 0.00 3.08 3.09 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 0.00 131 A 9.36 5.10 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 0.00 132 S 8.81 5.26 0.00 3.84 3.77 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 0.00 133 H 9.15 4.80 0.00 3.02 3.29 0.00 5.65 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 N 7.68 5.01 0.00 2.83 3.08 0.00 0.00 5.82 8.07 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 0.00 135 D 8.12 4.94 0.00 2.84 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 0.00 136 P 0.00 4.39 0.00 2.04 2.10 0.00 3.74 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 137 L 8.25 4.30 0.00 1.83 1.73 1.03 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 *139 S 7.78 4.53 0.00 4.13 4.07 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 0.00 140 F 8.58 4.02 0.00 3.09 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 0.00 141 T 7.93 4.07 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 142 R 8.17 4.00 0.00 2.08 2.21 0.00 3.11 0.00 0.00 2.98 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 143 A 8.12 4.04 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 Q 7.85 3.70 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.70 0.00 0.00 0.00 0.00 0.00 2.02 1.62 0.00 145 Y 7.83 3.90 0.00 2.84 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 W 8.05 3.05 0.00 2.91 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 0.00 147 A 8.09 4.12 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 0.00 148 Q 7.93 3.74 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 149 A 7.20 3.75 0.70 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 0.00 150 W 8.51 4.79 0.00 3.45 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 0.00 151 D 7.82 4.32 0.00 2.77 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 0.00 152 S 8.47 4.79 0.00 4.09 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 0.00 153 E 8.69 4.11 0.00 2.10 1.67 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 2.23 2.24 0.00 154 L 8.45 4.97 0.00 1.60 1.51 0.83 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 155 V 8.79 4.20 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 1.17 0.00 0.00 0.45 0.00 0.00 156 D 8.92 5.18 0.00 3.01 2.69 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 0.00 0.00 0.00 0.00 157 V 8.91 4.18 2.23 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 1.17 0.00 0.00 1.00 0.00 0.00 158 G 8.78 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 0.00 0.00 0.00 159 E 8.58 4.66 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 160 A 8.82 4.83 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 G 8.37 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 H 9.06 4.78 0.00 3.10 3.37 0.00 6.08 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 I 7.55 2.40 1.45 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.27 -1.05 0.00 0.00 164 N 7.29 4.85 0.00 2.91 3.02 0.00 0.00 5.99 7.05 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 0.00 165 A 8.79 4.05 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 0.00 166 E 8.19 4.08 0.00 2.12 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 2.28 0.00 167 A 7.70 4.27 1.67 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 0.00 0.00 168 G 8.40 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 0.00 0.00 0.00 169 F 8.55 5.00 0.00 3.11 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 0.00 170 G 9.25 4.55 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 0.00 0.00 0.00 171 P 0.00 4.22 0.00 2.21 2.24 0.00 4.05 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 172 W 8.48 4.18 0.00 3.62 3.50 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 0.00 173 E 8.33 4.04 0.00 2.15 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 2.53 2.41 0.00 174 Y 8.24 4.11 0.00 3.21 3.21 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 0.00 175 G 6.22 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 0.00 0.00 0.00 0.00 0.00 0.00 176 L 7.24 3.32 0.00 1.63 1.44 0.86 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 177 K 7.92 3.75 0.00 1.77 1.66 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.20 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.43 7.81 178 R 7.59 3.82 0.00 1.87 1.98 0.00 3.21 0.00 0.00 2.81 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.63 0.00 179 L 7.97 3.98 0.00 1.70 1.65 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 180 A 8.13 3.90 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 0.00 181 E 7.84 3.87 0.00 2.13 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 0.00 2.34 2.40 0.00 182 F 8.54 4.41 0.00 3.04 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 0.00 183 S 8.58 3.78 0.00 3.87 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 0.00 184 E 8.16 3.95 0.00 2.01 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 2.29 2.38 0.00 185 I 7.11 4.12 1.81 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 1.64 0.49 0.88 0.00 0.00 186 L 7.24 4.31 0.00 1.51 1.53 0.17 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 187 I 7.05 3.73 1.92 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 1.37 0.68 0.92 0.00 0.00 188 P 0.00 4.37 0.00 2.17 1.97 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 * Residues marked with a * may have inaccurate shift predictions.