NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4212 8.1585 120.3260 55.5292 34.3807 177.4632 2 A 3.7995 7.8889 120.1171 54.5198 18.3288 177.8266 3 A 3.9008 8.3503 120.8006 55.3811 18.8899 177.9785 4 A 3.9367 7.9122 118.5579 55.1479 18.5048 179.5794 5 A 3.9149 8.1197 119.5282 55.0830 18.3997 180.0274 6 V 3.5005 7.7953 116.7732 66.3218 31.5847 178.1948 7 S 4.1056 8.1080 114.8942 61.8222 62.6797 176.7927 8 S 4.0385 8.3870 115.5336 61.3274 62.1649 176.0069 9 A 3.9816 8.0307 123.3547 55.1199 18.0704 179.7375 10 K 3.8799 8.1705 116.9746 59.5911 32.1415 179.4654 11 R 3.8850 8.2045 119.1227 59.5214 29.8916 178.7012 12 S 4.0577 8.1849 114.8196 61.5669 62.9129 176.3362 13 L 3.9108 7.9443 122.8902 58.2435 41.7631 179.0310 14 R 3.9911 8.4167 118.4741 59.2522 30.0219 179.1379 15 G 3.6032 8.0113 105.2245 47.8991 0.0000 175.1526 16 E 3.9419 8.3389 122.5971 58.8503 29.6209 179.0243 17 L 4.0206 8.4902 119.1571 57.8847 41.5594 179.7136 18 K 4.1531 8.4538 119.8784 59.7419 31.9396 179.9317 19 Q 4.1702 7.8265 120.5993 60.3460 28.1730 182.1822 20 R 4.3946 7.4181 118.9761 58.3232 31.3085 178.9904 21 L 4.2188 7.6672 121.8199 54.7292 38.9231 176.7455 *24 M 4.2122 7.3509 119.1287 53.7608 33.4359 176.5143 25 S 4.5250 8.0872 114.7147 57.7019 65.8051 175.2642 26 A 3.9912 8.4439 124.9334 55.4196 18.1887 179.9918 27 E 3.9426 8.0913 115.6624 59.5381 29.7841 178.8103 28 E 3.9643 8.1999 120.3386 58.8872 29.6652 178.9181 29 R 3.8324 7.9057 118.1425 59.3314 30.1934 179.0263 30 L 4.0415 8.0154 118.6105 57.6606 41.7361 179.3116 31 R 3.9019 8.4572 119.0903 59.8446 30.0108 178.3894 32 Q 4.1184 8.3243 119.0021 59.1395 29.0552 178.0664 33 S 4.1741 8.4708 116.4659 61.6133 62.7460 176.8433 34 R 3.9152 8.2125 120.8319 59.1002 29.7713 179.2571 35 V 3.5810 7.7100 117.6146 66.1025 31.5872 178.1845 36 L 4.0004 7.9867 118.7161 57.7018 41.4052 179.5937 37 S 3.9723 8.1541 115.2263 61.6397 62.7720 176.7402 38 Q 3.9540 7.8024 120.2894 58.9761 28.2582 179.0482 39 K 3.9283 7.7048 118.1261 59.3736 32.2690 179.3489 40 V 3.6715 8.1931 118.7209 66.1890 31.3018 178.2156 41 I 3.5514 7.8130 118.1370 63.8770 36.9847 177.3987 42 A 4.3683 7.7212 119.0776 51.8181 19.3044 176.6544 43 H 4.4447 8.0295 119.2944 55.2966 31.0839 176.1131 44 S 4.0926 8.6053 123.1293 61.9013 62.5197 176.7443 45 E 3.7568 7.9272 119.3632 59.3054 29.3115 178.3913 46 Y 4.1345 8.0115 119.0289 60.9130 38.8321 177.7716 47 Q 3.8346 8.2533 117.8603 58.8947 28.8930 178.7442 48 K 4.0980 7.7695 118.0961 57.1597 32.6900 177.8624 49 S 4.2196 7.0443 114.2381 58.3307 63.7149 173.8934 50 K 4.3810 8.8822 121.3809 57.0645 34.8676 176.0003 51 R 5.0878 8.8972 119.6860 54.3653 33.2318 174.7390 52 I 5.1072 9.1602 124.8935 59.1362 41.5373 173.7663 53 S 5.4025 9.1615 123.8762 56.7429 64.3949 172.5419 54 I 5.1637 8.9053 126.8497 59.2439 41.5117 174.3388 55 F 4.7522 8.4217 122.6749 55.7373 39.4873 174.8323 56 L 4.5657 8.3907 121.9544 53.2478 42.6829 176.9187 57 S 4.7247 8.6048 120.4615 58.7897 63.5253 174.3108 58 M 4.5780 9.1995 125.1268 54.3837 33.0893 177.1385 59 Q 4.2373 8.6613 117.8365 58.1549 29.0286 176.8781 60 D 5.0821 8.1579 116.3285 52.8540 39.8110 175.6867 61 E 4.7920 7.8981 117.9218 54.5302 32.9753 175.8168 62 I 3.2530 7.8565 121.4405 61.8837 37.5198 175.3151 63 E 4.1381 9.1173 127.1098 56.2713 29.6971 176.9005 64 T 4.0420 8.5768 116.8757 61.6532 69.2284 175.9174 65 E 3.8385 8.2084 124.0258 59.8576 29.6815 178.3759 66 E 3.9062 8.0314 118.4916 59.3028 29.7412 178.6418 67 I 3.5501 7.4698 119.3232 64.2932 37.0373 178.1016 68 I 3.6731 7.7424 120.7069 64.4647 37.0064 178.4509 69 K 4.0522 7.9958 118.9648 59.7110 31.8504 178.9116 70 D 4.3908 7.9706 117.6912 57.1704 41.1726 178.0241 71 I 3.7105 8.2451 120.9172 64.8033 37.1976 178.4261 72 F 4.2433 7.9498 118.1384 60.4987 38.4825 177.8650 73 Q 4.1360 7.9749 117.0725 58.7079 28.5485 178.0438 74 R 4.4048 8.1130 116.6206 55.1522 30.2067 176.5099 75 G 4.0120 7.7284 106.3042 46.4235 0.0000 174.4536 76 K 4.2295 7.7213 117.7338 55.6716 33.3569 177.0832 77 I 3.9917 8.4619 124.1554 60.8861 38.4232 174.3544 78 C 5.0052 8.2402 127.8117 57.5637 33.6938 172.2595 79 F 5.5462 9.3040 124.4953 55.6270 42.5718 174.0996 80 I 5.2656 8.6766 115.2653 57.1339 41.1289 173.0058 81 P 4.2738 0.0000 0.0000 62.6830 32.1515 176.1968 82 R 4.4237 8.6037 123.8895 54.8072 32.5466 173.5407 83 Y 4.4042 8.7192 124.7191 56.9554 39.5702 176.0924 84 R 4.4312 8.9340 122.7947 54.7224 30.7749 177.4872 85 F 4.6156 8.8506 123.2885 59.5078 39.3182 177.3302 86 Q 4.3177 8.3030 118.9613 58.2920 29.0226 175.7320 87 S 4.4706 7.8897 110.9695 57.7617 64.9781 173.9323 88 N 3.9641 8.6010 119.6631 53.3183 37.8082 173.5117 89 H 5.0576 8.1228 119.3574 56.2424 31.3226 173.7390 90 M 4.9805 8.4547 121.6108 53.6775 34.5091 173.7219 91 D 5.0291 8.4652 119.2952 52.8609 45.3820 174.6579 92 M 4.8270 8.2658 119.0431 53.8719 34.1980 175.5536 93 V 5.0780 8.8249 117.6340 59.2846 35.0987 175.1887 94 R 4.1889 8.9171 125.8192 56.1464 30.3359 175.6626 95 I 4.7184 8.1918 119.8446 59.4835 39.7315 175.4537 96 E 4.5758 9.5735 122.5647 56.5972 30.6332 176.0622 97 S 3.1790 6.9523 110.7010 56.1387 65.2888 173.4068 98 P 4.3296 0.0000 0.0000 65.6373 31.3807 178.9733 99 E 3.9571 7.9109 117.5076 59.0201 29.2614 178.5262 100 E 3.8731 7.9096 119.2656 59.4348 29.4317 178.7976 101 I 3.7133 7.5295 119.6250 64.6244 36.9566 178.4881 102 S 4.2166 7.7281 114.5414 60.7732 62.7724 175.0509 103 L 4.4272 7.6388 118.4111 55.0231 42.1318 176.9804 104 L 4.3809 7.3699 119.2826 53.7367 42.3414 175.4702 105 P 4.5795 0.0000 0.0000 63.0369 32.7323 175.0136 106 K 5.2617 8.4877 119.2963 54.9004 35.6561 176.1786 107 T 4.4381 8.7823 113.6939 60.2688 70.3517 175.7805 108 S 4.1269 8.2432 115.2889 60.2366 62.7344 174.8382 109 W 4.3691 8.1504 120.1306 56.1535 29.0179 175.8016 110 N 4.3389 8.3781 115.2212 54.3449 36.2073 173.7567 111 I 4.5764 7.6321 118.0047 58.7251 39.2646 173.5107 112 P 5.0688 0.0000 0.0000 63.0014 31.7409 175.6859 113 Q 4.7214 8.6696 120.5324 54.2203 31.6876 172.5373 114 P 4.3623 0.0000 0.0000 62.7867 32.4593 176.7497 115 G 3.9570 8.6100 112.2658 44.8060 0.0000 174.1724 116 E 3.9724 8.8645 118.2946 59.2224 29.3477 178.7125 117 G 3.7592 7.9635 104.2801 45.6098 0.0000 172.9650 118 D 4.5066 7.6868 120.1018 52.6288 40.4377 175.9184 119 V 3.8033 8.2391 127.4236 62.8214 32.0184 175.3378 120 R 4.7813 8.2225 125.3136 53.9143 33.9978 174.8044 121 E 4.1308 8.7901 123.5389 56.5445 30.9114 175.1929 122 E 4.8801 8.8990 126.8239 55.2148 30.9817 177.1052 123 A 3.1527 8.9335 128.2299 55.2879 18.3278 179.4394 124 L 4.0291 7.6303 112.8046 56.2932 41.9182 178.0573 125 S 4.4320 7.9195 113.2311 59.9339 63.4254 174.8023 126 T 4.6292 7.9830 110.3374 61.5934 69.0826 173.7528 127 G 3.7071 9.6647 110.0411 45.7119 0.0000 176.5490 128 G 3.7902 8.3696 107.3746 44.7761 0.0000 172.6012 129 L 4.9024 8.4902 120.3463 53.1345 45.7795 176.3500 130 D 4.6201 9.1848 122.8588 56.8639 42.2524 176.5213 131 L 5.1002 7.7382 119.5461 53.6353 45.9882 174.6054 132 I 4.9545 8.8662 127.1567 59.3707 40.1166 174.7948 133 F 4.8355 9.2269 127.4511 57.7722 39.4962 175.0214 134 M 4.2600 9.1459 125.3263 53.0000 33.1540 174.6919 135 P 3.9671 0.0000 0.0000 61.7494 32.4880 175.2200 136 G 3.6565 7.4872 106.8567 45.1880 0.0000 173.4189 137 L 4.1724 8.7344 120.4299 57.1158 42.3088 177.9701 138 G 4.1937 7.1566 103.3265 45.0138 0.0000 171.8460 139 F 5.5085 9.0718 118.6052 55.8674 44.2077 173.9391 140 D 5.3960 8.6040 121.6087 50.8156 42.1454 177.1004 141 K 4.2708 8.6549 116.4433 58.4171 32.0664 177.6539 142 H 4.5754 8.3288 115.6628 55.5343 29.1432 176.1974 143 G 3.9981 8.3859 108.6507 45.3070 0.0000 173.1240 144 N 4.8071 8.1843 117.7399 53.1357 39.7209 173.8263 145 R 4.7770 8.5925 122.9888 54.3119 33.1513 174.3752 146 L 4.3499 8.6251 128.7059 53.5512 42.5853 176.1783 147 G 3.8307 8.1546 117.0415 44.4026 0.0000 172.9840 148 R 3.7741 8.2625 116.8133 56.5270 30.2747 177.0052 149 G 3.9777 7.1087 105.7056 45.7236 0.0000 175.3462 150 K 3.9551 8.3847 118.7274 56.5403 32.7776 177.7965 151 G 4.1169 8.2081 106.5960 46.5447 0.0000 175.3932 152 Y 4.3116 7.5140 117.6102 61.3590 37.8140 178.2657 153 Y 4.0217 8.3104 116.9324 60.9421 37.7451 178.1223 154 D 4.4114 8.3143 119.2589 57.4974 41.0319 178.5809 155 A 4.0963 7.9216 120.7455 55.1191 18.3629 179.0285 156 Y 3.8547 8.3358 118.2831 60.8869 38.7711 178.1524 157 L 3.9598 8.2623 120.0235 58.0103 41.5136 179.7898 158 K 3.9678 7.6187 117.3172 59.4861 32.2185 179.3236 159 R 3.9888 7.7200 118.0438 59.3159 29.8957 178.8116 160 C 3.9694 7.6229 116.5220 62.6675 27.8102 175.9998 161 L 4.0174 7.4209 119.8295 57.7287 41.2645 178.7343 162 Q 4.2674 7.7280 115.1403 56.8397 28.9345 175.9399 163 H 4.8179 8.1872 115.3536 54.9563 30.9874 173.5984 164 Q 4.5917 7.7551 117.4864 53.7421 32.1357 175.0120 165 E 4.0645 9.0960 122.3090 58.7392 29.8092 177.7033 166 V 4.3708 7.4212 111.3187 58.7488 33.4586 175.9144 167 K 4.1490 8.4766 123.9816 56.0781 33.1247 174.9301 168 P 4.6466 0.0000 0.0000 62.6588 32.2590 175.6285 169 Y 4.3855 9.2128 125.7217 57.8794 40.1416 174.4404 170 T 4.9357 8.2884 116.6866 59.7549 71.4418 172.6461 171 L 4.8586 8.6945 128.5528 52.9808 44.7526 174.9485 172 A 4.9243 8.7351 129.1278 50.2948 20.5550 175.7892 173 L 4.9630 8.4282 120.5966 52.9193 43.8727 175.8476 174 A 4.9587 8.5865 125.5515 49.7286 22.0246 175.9207 175 F 4.7036 9.0895 119.7906 57.1061 39.9426 176.7984 176 K 3.8941 10.2899 124.4817 60.0386 32.0283 179.3582 177 E 4.1087 8.2958 116.1768 58.7444 29.7175 177.5790 178 Q 4.3563 8.4068 117.2874 56.3070 29.4454 175.4236 179 I 4.4551 7.3618 120.1484 60.9904 37.5569 175.1466 180 C 4.8860 8.7907 123.1594 57.5078 31.0238 174.9427 181 L 3.9797 8.4928 123.6455 57.6776 41.9419 177.2783 182 Q 4.4109 7.6645 116.0478 54.0147 31.8518 174.6604 183 V 4.0071 8.4843 123.7673 60.7899 32.2467 174.0203 184 P 4.3397 0.0000 0.0000 63.4126 31.7696 176.6533 185 V 4.5622 7.9026 118.3119 58.9339 35.0977 172.3749 186 N 4.3598 8.1721 118.9589 56.7002 39.1163 177.7046 *189 D 4.4679 7.4192 117.6865 53.5602 41.7722 176.1070 190 M 4.6283 7.8354 115.3412 55.1994 33.3049 176.9614 191 K 4.4235 8.4257 122.8597 56.3378 33.1736 176.8591 192 V 4.1283 8.2653 115.1317 60.5979 32.4608 176.4131 193 D 4.3897 8.4686 123.2942 57.3129 41.2958 176.7953 194 E 4.6978 7.9100 117.6933 55.0217 33.7309 174.4157 195 V 4.5818 8.4254 119.5749 59.6683 33.7513 174.9770 196 L 4.6609 8.6881 126.7396 53.4751 43.6823 175.4692 197 Y 4.9353 7.2915 116.6100 56.7800 40.0110 172.8368 198 E 4.9147 9.0276 123.4923 56.6290 33.2980 176.8118 *199 D 4.6080 9.0717 117.7431 54.1702 39.6989 173.7363 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 M 8.16 4.42 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 2 A 7.89 3.80 1.34 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 3 A 8.35 3.90 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 4 A 7.91 3.94 1.34 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 5 A 8.12 3.91 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 6 V 7.80 3.50 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 1.07 0.00 0.00 0.99 0.00 0.00 7 S 8.11 4.11 0.00 4.07 3.91 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 8 S 8.39 4.04 0.00 3.93 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 9 A 8.03 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.17 3.88 0.00 1.97 1.85 0.00 1.66 0.00 0.00 1.55 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.58 7.81 11 R 8.20 3.88 0.00 1.95 2.10 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 12 S 8.18 4.06 0.00 4.05 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 13 L 7.94 3.91 0.00 1.84 1.80 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.42 3.99 0.00 2.04 1.98 0.00 3.19 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 15 G 8.01 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.34 3.94 0.00 2.03 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 2.31 2.36 0.00 17 L 8.49 4.02 0.00 1.88 1.70 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.45 4.15 0.00 1.73 1.90 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.70 7.81 19 Q 7.83 4.17 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 20 R 7.42 4.39 0.00 1.93 2.03 0.00 3.14 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 21 L 7.67 4.22 0.00 1.80 1.69 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 *24 M 7.35 4.21 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 25 S 8.09 4.53 0.00 4.02 3.98 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 26 A 8.44 3.99 1.34 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 27 E 8.09 3.94 0.00 2.21 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 2.35 2.35 0.00 28 E 8.20 3.96 0.00 2.08 2.06 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 2.23 2.28 0.00 29 R 7.91 3.83 0.00 2.14 2.09 0.00 3.20 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.68 0.00 30 L 8.02 4.04 0.00 1.89 1.74 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.46 3.90 0.00 1.97 2.15 0.00 3.11 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 32 Q 8.32 4.12 0.00 2.55 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.57 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 33 S 8.47 4.17 0.00 4.12 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 34 R 8.21 3.92 0.00 2.08 1.98 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 35 V 7.71 3.58 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 1.11 0.00 0.00 1.04 0.00 0.00 36 L 7.99 4.00 0.00 1.87 1.63 1.01 0.96 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 37 S 8.15 3.97 0.00 3.93 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 7.80 3.95 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 39 K 7.70 3.93 0.00 1.90 1.86 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.93 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 115 G 8.61 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 0.00 116 E 8.86 3.97 0.00 2.01 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 2.37 2.38 0.00 117 G 7.96 3.76 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 0.00 0.00 0.00 118 D 7.69 4.51 0.00 2.69 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.24 3.80 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 0.87 0.00 0.00 0.95 0.00 0.00 120 R 8.22 4.78 0.00 1.71 1.81 0.00 3.53 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.55 0.00 121 E 8.79 4.13 0.00 2.11 1.93 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 2.58 2.45 0.00 122 E 8.90 4.88 0.00 1.98 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 2.39 2.50 0.00 123 A 8.93 3.15 0.37 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 0.00 124 L 7.63 4.03 0.00 1.48 1.27 0.53 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 125 S 7.92 4.43 0.00 4.00 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 0.00 126 T 7.98 4.63 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 1.27 0.00 0.00 127 G 9.66 3.71 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 0.00 128 G 8.37 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 8.49 4.90 0.00 1.58 1.53 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 130 D 9.18 4.62 0.00 2.67 2.68 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 0.00 131 L 7.74 5.10 0.00 1.68 1.40 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 132 I 8.87 4.95 1.97 0.00 0.00 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 1.36 0.64 1.18 0.00 0.00 133 F 9.23 4.84 0.00 3.09 3.06 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 0.00 134 M 9.15 4.26 0.00 1.85 1.97 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.80 0.00 135 P 0.00 3.97 0.00 1.64 0.49 0.00 2.41 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.53 0.00 136 G 7.49 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.73 4.17 0.00 1.53 1.66 0.95 0.75 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 0.00 138 G 7.16 4.19 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 0.00 139 F 9.07 5.51 0.00 2.89 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 D 8.60 5.40 0.00 2.88 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.65 4.27 0.00 1.70 1.90 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.45 7.81 142 H 8.33 4.58 0.00 3.46 3.34 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.39 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 0.00 0.00 0.00 144 N 8.18 4.81 0.00 3.07 2.77 0.00 0.00 6.47 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 0.00 145 R 8.59 4.78 0.00 1.95 1.78 0.00 3.47 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.07 0.00 146 L 8.63 4.35 0.00 1.60 1.43 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 147 G 8.15 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 0.00 0.00 0.00 148 R 8.26 3.77 0.00 1.76 2.03 0.00 2.82 0.00 0.00 3.11 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 149 G 7.11 3.98 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 0.00 0.00 0.00 150 K 8.38 3.96 0.00 1.82 1.37 0.00 1.94 0.00 0.00 2.20 0.00 0.00 3.30 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.54 1.49 7.81 151 G 8.21 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 0.00 0.00 0.00 152 Y 7.51 4.31 0.00 3.21 2.93 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 0.00 153 Y 8.31 4.02 0.00 3.17 3.12 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 0.00 154 D 8.31 4.41 0.00 2.73 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 0.00 155 A 7.92 4.10 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 Y 8.34 3.85 0.00 3.04 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 0.00 157 L 8.26 3.96 0.00 1.94 1.74 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 158 K 7.62 3.97 0.00 1.81 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.67 7.81 159 R 7.72 3.99 0.00 1.66 1.74 0.00 3.15 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 160 C 7.62 3.97 0.00 3.05 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 L 7.42 4.02 0.00 1.72 1.71 0.98 1.11 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 0.00 162 Q 7.73 4.27 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 163 H 8.19 4.82 0.00 3.00 3.25 0.00 5.79 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 0.00 164 Q 7.76 4.59 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.06 0.00 0.00 0.00 0.00 0.00 2.23 2.51 0.00 165 E 9.10 4.06 0.00 1.93 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 2.31 2.38 0.00 166 V 7.42 4.37 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 0.76 0.00 0.00 0.93 0.00 0.00 167 K 8.48 4.15 0.00 1.85 1.81 0.00 1.56 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.47 7.81 168 P 0.00 4.65 0.00 2.00 2.16 0.00 3.68 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.37 0.00 169 Y 9.21 4.39 0.00 3.02 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 T 8.29 4.94 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 1.21 0.00 0.00 171 L 8.69 4.86 0.00 1.65 1.26 1.00 0.75 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 0.00 172 A 8.74 4.92 0.45 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 0.00 173 L 8.43 4.96 0.00 1.59 1.55 0.62 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 174 A 8.59 4.96 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 0.00 175 F 9.09 4.70 0.00 3.18 3.12 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 0.00 176 K 10.29 3.89 0.00 1.89 1.95 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.66 1.72 7.81 177 E 8.30 4.11 0.00 1.99 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 2.28 2.39 0.00 178 Q 8.41 4.36 0.00 2.42 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 7.01 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 179 I 7.36 4.46 1.61 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 -0.36 0.63 0.00 0.00 180 C 8.79 4.89 0.00 2.90 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 0.00 181 L 8.49 3.98 0.00 1.60 1.69 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 182 Q 7.66 4.41 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 183 V 8.48 4.01 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 0.72 0.00 0.00 0.90 0.00 0.00 184 P 0.00 4.34 0.00 2.06 1.96 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 185 V 7.90 4.56 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 0.79 0.00 0.00 0.93 0.00 0.00 186 N 8.17 4.36 0.00 2.79 2.79 0.00 0.00 6.79 8.06 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 *189 D 7.42 4.47 0.00 2.72 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 0.00 190 M 7.84 4.63 0.00 1.85 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 191 K 8.43 4.42 0.00 1.75 1.75 0.00 1.75 0.00 0.00 1.97 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.47 7.81 192 V 8.27 4.13 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 0.72 0.00 0.00 1.03 0.00 0.00 193 D 8.47 4.39 0.00 1.77 2.06 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 0.00 194 E 7.91 4.70 0.00 2.04 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 2.25 2.34 0.00 195 V 8.43 4.58 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 0.76 0.00 0.00 1.11 0.00 0.00 196 L 8.69 4.66 0.00 1.62 1.53 0.91 0.60 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 0.00 197 Y 7.29 4.94 0.00 2.93 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 0.00 198 E 9.03 4.91 0.00 1.86 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 *199 D 9.07 4.61 0.00 2.69 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.