NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 3.9761 8.0244 121.4536 60.9442 38.4606 174.9825 5 D 4.3791 8.5397 123.9313 54.0965 41.5928 173.8999 6 H 4.7916 8.1272 127.5146 55.0459 29.7092 172.9689 *13 P 4.1358 0.0000 0.0000 63.1247 32.0946 176.2478 14 A 4.2155 8.3896 123.4065 52.3329 18.9619 177.1173 15 Q 4.5357 8.2254 120.1802 54.0619 32.9238 174.5606 16 A 4.2806 8.3483 123.9227 51.0281 19.4923 176.2444 17 P 4.4435 0.0000 0.0000 62.5480 33.2715 178.3582 18 V 3.6532 8.3914 121.1160 65.1299 31.2567 178.6686 19 S 4.1523 8.0588 113.2652 61.2849 62.4438 175.7314 20 D 4.5644 8.1342 121.2677 57.3775 40.6787 178.7655 21 R 3.9735 8.2547 118.4797 59.0677 30.1473 178.9873 22 A 3.8725 8.3809 120.9795 55.0839 18.3718 179.8584 23 W 4.4147 8.1985 117.0788 59.5547 28.9635 178.8150 24 A 4.1012 8.1312 120.8188 54.8870 17.9617 179.3136 25 L 3.8981 8.0388 118.9058 58.2680 42.1435 178.9121 26 F 4.2069 8.1323 119.9455 61.6472 39.4010 177.3846 27 R 3.6978 8.4319 117.3408 58.8826 29.3280 178.9962 28 A 3.9711 8.3076 121.1334 54.9853 18.4033 179.7719 29 L 3.8840 7.6803 117.0441 58.0970 41.6019 179.3097 30 D 4.3431 7.9153 116.9451 56.8092 41.2889 178.2604 31 G 3.7388 7.9063 106.5456 47.6673 0.0000 175.6496 32 K 4.1763 7.3059 116.1786 56.1183 31.7000 177.9727 33 G 3.9224 7.8362 106.6033 46.0742 0.0000 175.1561 34 L 4.0774 7.6792 120.3336 55.9042 42.0385 177.2180 35 V 4.1266 7.4320 118.2135 60.0821 32.6713 173.5881 36 P 4.3792 0.0000 0.0000 62.5240 31.8611 175.4643 37 D 4.6134 8.5503 121.2752 55.9410 41.1188 177.3857 38 G 4.3309 9.1346 112.1435 46.0016 0.0000 174.5403 39 Y 3.9400 8.1380 120.8410 60.9848 38.8387 178.3062 40 V 3.8184 8.1018 118.5654 66.0683 31.8382 177.6767 41 E 4.1159 8.2524 118.2137 59.0938 29.3621 179.3462 42 G 3.3625 8.3008 106.2607 47.4668 0.0000 175.8666 43 W 3.6399 7.7639 121.5483 59.0522 28.9286 178.3241 44 K 3.9210 8.0578 119.6048 59.4429 31.4823 178.6166 45 K 3.8115 7.8300 119.5737 59.7228 32.0388 178.7824 46 T 3.6553 7.3803 115.8170 66.7531 68.1097 176.6134 47 F 4.3735 7.6870 118.3535 60.6234 38.9242 177.2142 48 E 4.2150 8.2133 117.3836 58.2338 29.5070 177.8755 49 E 4.4945 8.5015 117.0922 57.0150 31.4949 176.7969 50 D 4.4724 7.9312 117.6592 55.9012 42.0059 176.7012 51 F 4.9892 7.8478 119.0989 57.1505 38.6485 174.2432 52 S 4.7068 8.4955 119.9980 54.7195 65.4859 173.1885 53 P 4.6361 0.0000 0.0000 65.9412 30.9881 179.4128 54 R 3.9295 7.8648 120.6947 61.1211 29.1840 184.6266 55 R 3.9462 7.8967 117.3613 59.4205 30.1039 178.9930 56 G 3.6437 7.8374 105.1299 47.9221 0.0000 175.3676 57 A 3.8725 8.0763 123.2413 54.7620 18.2839 179.2800 58 E 3.7960 8.1325 117.7484 59.4857 29.7059 179.1285 59 L 3.7418 7.7654 118.9937 57.5643 41.6154 179.7436 60 V 3.2793 7.7673 118.1034 65.7515 31.2766 178.0469 61 A 4.0073 7.9835 120.8256 54.9551 18.1156 179.6537 62 R 4.0229 8.4751 118.6935 59.0624 29.9407 178.6272 63 A 4.3170 8.0497 119.4527 55.1642 18.4544 179.4219 64 W 4.5677 8.4281 116.9352 59.2037 29.1944 177.7874 65 T 4.8193 7.7313 107.4318 60.7474 69.6322 173.9396 66 D 4.7871 8.3489 121.4077 51.2117 42.4341 173.9188 67 P 4.3212 0.0000 0.0000 65.3035 31.3315 178.1305 68 E 4.0319 8.3286 118.0280 58.9519 29.6927 178.3698 69 F 4.1327 8.5423 120.7729 61.0775 39.4025 176.9421 70 R 3.8758 8.4078 118.6833 59.7263 29.8750 178.2602 71 Q 3.9015 8.1889 119.1213 58.9041 29.0125 177.9525 72 L 3.8822 7.7525 122.7748 57.4378 42.2614 178.5592 73 L 3.6545 7.7145 120.5923 58.2185 41.7373 178.9406 74 L 4.1578 7.9540 117.6407 56.9384 41.9697 178.5524 75 T 4.4922 7.8081 109.4628 62.1650 70.4297 173.4504 76 D 4.7240 8.4207 121.5340 51.0692 41.9861 175.3237 77 G 3.5281 8.1310 111.7653 47.0260 0.0000 172.5615 78 T 3.7447 7.5271 117.3454 66.4539 68.3636 176.3879 79 A 3.9368 8.0707 122.1452 55.0516 18.1471 179.5985 80 A 4.0152 7.5369 118.1975 55.2296 18.6961 179.7384 81 V 3.8287 7.9498 116.7008 65.9198 31.6518 178.1080 82 A 4.0589 8.3882 120.9339 55.1198 17.9207 179.2396 83 Q 3.8971 7.8189 117.5244 59.0229 29.1162 177.3570 84 Y 4.0517 7.8899 115.6119 56.7632 38.4285 175.9808 85 G 3.8842 7.7435 107.5971 47.0571 0.0000 173.5533 86 Y 5.0064 7.9782 114.2166 57.5806 38.0982 176.0665 87 L 4.4572 7.8791 120.0121 54.2438 42.9183 176.3942 88 G 4.0615 8.0861 107.0685 45.2036 0.0000 170.5919 89 P 4.4785 0.0000 0.0000 64.2462 31.8298 176.3463 90 Q 3.2035 8.7257 120.5521 56.4292 26.5721 174.3904 91 G 4.1111 7.6233 100.1222 44.8704 0.0000 175.3863 92 E 4.3057 8.1584 117.6802 56.4900 31.6430 175.9621 93 Y 4.4917 7.7369 119.1001 55.8505 41.4672 173.9627 94 I 4.7952 7.9321 127.8676 59.4460 39.7257 175.7203 95 V 4.3111 8.2498 125.1738 61.0422 34.5247 173.9198 96 A 5.1097 8.6077 129.2819 50.7157 20.9063 176.4001 97 V 4.3784 8.3594 114.0875 59.4181 35.3136 174.2194 98 E 5.0270 8.7439 125.8965 54.7230 30.6172 175.1139 99 D 4.9722 9.0437 127.5294 54.5432 42.6763 175.4647 100 T 4.7216 8.4637 111.2387 59.1295 72.4153 172.8864 101 P 4.3488 0.0000 0.0000 64.9917 31.5978 177.5122 102 T 4.5844 7.9980 106.8026 60.7394 69.4133 172.7994 103 L 5.0972 8.0501 124.1787 53.8766 45.9717 174.3328 104 K 5.0287 9.4631 127.8827 54.7625 34.7282 174.2896 105 N 5.6408 9.1874 124.5661 51.8537 41.4748 174.0774 106 V 4.8601 8.7548 120.7951 61.5272 35.5650 173.8494 107 I 5.2622 8.6539 126.9413 59.8845 39.9375 175.1679 108 V 4.4968 8.7046 123.3418 60.8634 34.0984 173.1053 109 C 5.0434 7.8458 120.7660 57.2936 31.9890 174.4158 110 S 4.3676 9.2668 121.2205 60.6305 62.9348 176.3448 111 L 4.0548 7.1998 118.7035 56.6677 41.9871 176.5362 *113 S 4.3742 7.5445 110.6931 58.2668 63.9181 172.7032 *115 T 4.0906 8.2011 114.6961 63.9058 69.5757 174.8945 116 A 4.8701 7.9731 127.0980 50.4206 16.6035 177.8056 117 W 4.6098 8.2279 122.8714 59.1107 29.3365 177.4153 118 P 3.8637 0.0000 0.0000 64.2296 31.2373 177.7684 119 I 4.2479 7.6542 109.7169 60.4762 39.0330 176.5040 120 L 4.3985 7.9841 119.1595 53.7113 43.0542 177.4057 121 G 4.0535 8.1523 104.2671 44.2093 0.0000 173.2171 122 L 3.7379 7.8702 118.5277 53.2621 42.0848 175.8544 123 P 3.9730 0.0000 0.0000 61.9322 32.0016 174.6481 124 P 4.3188 0.0000 0.0000 62.4910 32.1508 177.1649 125 T 3.8070 8.5758 116.5523 66.8140 68.3177 176.7337 126 W 4.2417 8.0623 117.8396 59.6893 27.8779 177.5737 127 Y 3.3819 6.5458 119.4994 59.7721 38.1885 176.9957 128 K 4.2554 7.5485 117.3415 56.4126 32.9274 177.5624 129 S 4.2758 7.2731 114.7531 57.8848 63.8136 175.4430 130 F 4.5105 8.6109 120.9090 60.8603 38.5869 177.7716 131 E 4.0544 8.3481 117.8748 59.6401 29.4035 178.6971 132 Y 4.1710 8.2852 119.3704 60.8923 38.7500 177.8047 133 R 3.7641 8.1297 117.5917 59.0866 30.1882 178.6512 134 A 4.1066 8.2295 120.0698 54.9895 18.9156 179.3582 135 R 4.1556 7.9278 116.3763 58.5011 30.2788 179.4325 136 V 3.8351 7.2762 118.0564 64.3195 31.4261 177.8003 137 V 3.6184 7.6201 118.4068 64.7840 31.8728 176.2617 138 R 4.3217 7.9613 118.3893 57.0478 31.7369 175.9076 139 E 4.7812 8.3887 114.3672 53.6779 29.4188 174.6969 140 P 4.2166 0.0000 0.0000 66.6909 31.7853 178.4702 141 R 3.8887 7.9179 118.0344 58.8504 30.0188 178.3477 142 K 3.8768 7.9151 119.0741 59.4018 32.4051 178.5769 143 V 3.6145 8.0026 118.8348 66.3558 31.3658 177.9764 144 L 4.0300 8.1301 118.4731 57.7523 41.4101 179.5341 145 S 4.2750 7.9946 114.4534 60.9628 62.1281 176.0690 146 E 3.9894 8.1200 120.1513 59.6172 29.3181 178.7111 147 M 4.2239 7.7211 116.4407 55.6392 32.2036 177.0566 148 G 4.0509 7.7040 107.2015 45.3377 0.0000 173.5419 149 T 4.3625 8.5022 117.8524 61.4460 69.9645 172.9635 150 E 4.4987 8.7404 128.2192 54.7901 30.0348 175.1530 151 I 4.2533 8.1617 127.7441 59.1225 38.3588 175.4408 152 A 4.0668 8.5775 128.7262 52.2674 18.7291 178.1382 153 S 4.1122 8.7800 115.6879 61.4040 62.8998 175.1536 154 D 4.6059 7.9989 117.1666 53.5496 39.6748 175.4744 155 I 4.3753 7.5600 121.8854 59.9283 38.5560 175.3888 156 E 4.1790 8.8182 128.2841 56.2837 30.8679 175.2532 157 I 5.0253 8.2983 126.2832 59.4852 39.9573 174.7441 158 R 4.5069 9.2143 127.2047 54.4537 32.7253 174.0565 159 V 4.8021 8.3116 126.1019 61.5148 33.6247 174.1614 160 Y 4.1188 8.8687 126.0000 56.4198 39.5331 174.1839 161 D 5.0042 8.4884 125.2180 53.1817 42.2340 176.9276 162 T 4.6651 9.1729 125.0930 63.7007 66.6014 174.5543 163 T 4.5462 8.5450 113.5350 61.2850 71.2376 175.0022 164 A 4.5507 7.3197 127.5616 52.0527 19.1181 177.7395 165 E 4.3562 8.7221 117.2292 58.9417 30.2763 176.3813 166 T 4.2614 7.6840 116.0978 63.6979 69.3845 173.8033 167 R 4.5170 8.7264 124.3343 54.5963 33.2396 174.5076 168 Y 5.7686 8.8627 120.8436 56.1194 40.5206 174.9277 169 M 4.8830 8.2138 117.8398 53.7112 34.9601 174.1490 170 V 4.2014 8.4115 122.3115 62.6107 32.9731 175.6438 171 L 4.5944 9.0174 130.8345 52.7365 42.3797 173.9154 172 P 5.3417 0.0000 0.0000 61.3857 32.8446 175.9761 173 Q 4.2717 8.6129 119.1809 55.6385 29.3902 176.6322 174 R 2.5100 8.0829 123.8487 54.7132 30.3404 174.6451 175 P 4.1549 0.0000 0.0000 62.2931 31.9793 176.0080 176 A 3.8991 7.9623 123.2075 53.2873 18.8745 178.3127 177 G 3.8266 8.5253 108.1207 45.5522 0.0000 174.1592 178 T 2.7506 6.9032 108.5644 60.4291 68.9911 173.8243 179 E 4.1469 7.7171 122.0824 58.3543 29.6881 177.4511 180 G 4.0569 9.0188 111.6331 45.1511 0.0000 173.4246 181 W 4.4983 8.1339 120.3352 56.3229 29.7312 177.0641 182 S 4.5766 9.2589 118.7266 57.8510 64.8873 175.5586 183 Q 4.1278 8.5902 120.3855 59.0121 27.9089 178.5864 184 E 4.0629 8.2115 119.8765 59.5466 29.5070 178.8094 185 Q 3.9118 7.6856 116.5359 58.8468 29.0934 178.5161 186 L 4.7015 8.2951 120.1480 58.0000 41.8079 179.1269 187 Q 4.0192 8.5486 118.4607 59.4546 28.4993 179.3201 188 E 4.1140 7.8968 117.5651 58.6477 29.5366 178.4009 189 I 4.5920 7.6659 110.3116 59.9889 38.3953 175.7729 190 V 4.0691 7.6386 121.7843 61.9562 30.9166 175.8900 191 T 4.4186 8.0083 118.5281 60.0510 71.7164 175.1128 192 K 3.8115 8.5447 121.4824 60.1784 32.0661 178.2802 193 D 4.5737 8.1758 118.2617 57.5208 40.3272 178.3171 194 C 4.6484 8.0174 118.5148 62.3957 28.1131 176.1241 195 L 4.0977 7.7767 120.1180 57.4624 41.2262 179.3441 196 I 4.0282 7.8944 119.8913 62.4991 36.9251 177.4239 197 G 4.2681 7.5590 104.8822 46.2290 0.0000 174.5201 198 V 4.1033 7.8614 111.4920 61.3910 32.6721 175.6760 199 A 4.8369 7.9149 122.5612 50.1253 21.4975 174.8951 200 I 4.5940 8.0036 120.8821 58.5298 39.0458 174.3634 201 P 4.5073 0.0000 0.0000 62.9068 31.8543 175.6514 202 Q 4.6808 8.4164 119.7701 53.9941 32.0646 175.6774 203 V 3.9309 8.2837 119.0517 63.2775 31.5890 175.8296 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 I 8.02 3.98 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.08 0.67 0.00 0.00 5 D 8.54 4.38 0.00 2.68 2.57 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 6 H 8.13 4.79 0.00 3.16 2.91 0.00 5.78 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 *13 P 0.00 4.14 0.00 2.21 2.10 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.98 0.00 14 A 8.39 4.22 1.27 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 0.00 0.00 15 Q 8.23 4.54 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.58 0.00 16 A 8.35 4.28 1.27 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 0.00 0.00 17 P 0.00 4.44 0.00 2.32 2.02 0.00 3.80 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 2.21 2.17 0.00 18 V 8.39 3.65 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 0.95 0.00 0.00 0.90 0.00 0.00 19 S 8.06 4.15 0.00 4.01 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 20 D 8.13 4.56 0.00 2.95 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 21 R 8.25 3.97 0.00 2.02 1.98 0.00 3.14 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 22 A 8.38 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 W 8.20 4.41 0.00 3.58 3.33 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 24 A 8.13 4.10 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 0.00 0.00 0.00 0.00 0.00 25 L 8.04 3.90 0.00 1.81 1.92 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.13 4.21 0.00 3.24 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 27 R 8.43 3.70 0.00 2.03 1.98 0.00 3.26 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.25 0.00 28 A 8.31 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.68 3.88 0.00 1.82 1.68 0.96 0.71 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 30 D 7.92 4.34 0.00 2.00 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 0.00 0.00 0.00 0.00 31 G 7.91 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.31 4.18 0.00 1.85 1.83 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.64 7.81 33 G 7.84 3.92 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 0.00 0.00 0.00 34 L 7.68 4.08 0.00 1.86 1.69 0.93 1.02 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 35 V 7.43 4.13 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 1.07 0.00 0.00 0.96 0.00 0.00 36 P 0.00 4.38 0.00 2.32 2.00 0.00 3.25 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.00 0.00 37 D 8.55 4.61 0.00 2.69 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 38 G 9.13 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 0.00 0.00 0.00 0.00 39 Y 8.14 3.94 0.00 3.28 3.15 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 0.00 0.00 0.00 0.00 40 V 8.10 3.82 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 0.94 0.00 0.00 1.25 0.00 0.00 41 E 8.25 4.12 0.00 2.26 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 2.42 2.45 0.00 42 G 8.30 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 0.00 0.00 0.00 43 W 7.76 3.64 0.00 3.27 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 44 K 8.06 3.92 0.00 1.85 1.98 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.58 1.49 7.81 45 K 7.83 3.81 0.00 1.75 1.84 0.00 1.54 0.00 0.00 1.44 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.53 7.81 46 T 7.38 3.66 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 0.37 0.00 0.00 47 F 7.69 4.37 0.00 3.01 2.83 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 48 E 8.21 4.21 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 49 E 8.50 4.49 0.00 1.95 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 2.20 2.26 0.00 50 D 7.93 4.47 0.00 2.38 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 51 F 7.85 4.99 0.00 3.11 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 52 S 8.50 4.71 0.00 3.80 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 53 P 0.00 4.64 0.00 2.28 2.40 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 54 R 7.86 3.93 0.00 1.88 1.98 0.00 3.26 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 55 R 7.90 3.95 0.00 1.77 1.45 0.00 3.03 0.00 0.00 2.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.29 0.00 56 G 7.84 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 57 A 8.08 3.87 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.13 3.80 0.00 2.05 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 2.21 2.37 0.00 59 L 7.77 3.74 0.00 1.84 1.75 0.94 0.48 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 60 V 7.77 3.28 1.76 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 -0.31 0.00 0.00 0.74 0.00 0.00 61 A 7.98 4.01 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 62 R 8.48 4.02 0.00 1.84 1.91 0.00 3.11 0.00 0.00 3.13 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.03 0.00 63 A 8.05 4.32 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 64 W 8.43 4.57 0.00 3.60 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 65 T 7.73 4.82 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 1.37 0.00 0.00 66 D 8.35 4.79 0.00 2.72 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 67 P 0.00 4.32 0.00 2.24 2.13 0.00 3.71 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 2.16 2.20 0.00 68 E 8.33 4.03 0.00 2.08 2.17 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 2.42 2.39 0.00 69 F 8.54 4.13 0.00 3.40 3.24 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 70 R 8.41 3.88 0.00 2.24 2.21 0.00 3.29 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 1.67 1.73 0.00 71 Q 8.19 3.90 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 72 L 7.75 3.88 0.00 1.70 1.47 0.85 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.67 1.62 0.00 125 T 8.58 3.81 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 1.19 0.00 0.00 126 W 8.06 4.24 0.00 3.52 3.29 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 0.00 127 Y 6.55 3.38 0.00 1.43 2.48 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 0.00 128 K 7.55 4.26 0.00 1.85 1.84 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.54 1.52 7.81 129 S 7.27 4.28 0.00 4.20 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 0.00 130 F 8.61 4.51 0.00 3.02 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 0.00 131 E 8.35 4.05 0.00 2.19 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 2.47 2.51 0.00 132 Y 8.29 4.17 0.00 3.34 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 0.00 133 R 8.13 3.76 0.00 1.88 2.10 0.00 3.28 0.00 0.00 3.59 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.81 0.00 134 A 8.23 4.11 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 0.00 135 R 7.93 4.16 0.00 1.99 1.97 0.00 3.16 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 136 V 7.28 3.84 1.44 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 0.16 0.00 0.00 0.91 0.00 0.00 137 V 7.62 3.62 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 0.71 0.00 0.00 0.82 0.00 0.00 138 R 7.96 4.32 0.00 1.75 1.87 0.00 3.20 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 139 E 8.39 4.78 0.00 2.07 2.02 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 2.15 2.19 0.00 140 P 0.00 4.22 0.00 2.30 2.54 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 141 R 7.92 3.89 0.00 1.90 1.96 0.00 3.18 0.00 0.00 3.44 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 142 K 7.92 3.88 0.00 1.86 1.92 0.00 1.79 0.00 0.00 2.07 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.49 7.81 143 V 8.00 3.61 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 1.16 0.00 0.00 1.02 0.00 0.00 144 L 8.13 4.03 0.00 1.92 1.91 1.09 0.70 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 0.00 145 S 7.99 4.28 0.00 4.01 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 0.00 146 E 8.12 3.99 0.00 2.16 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 2.35 2.53 0.00 147 M 7.72 4.22 0.00 1.79 2.14 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.34 0.00 148 G 7.70 4.05 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 0.00 149 T 8.50 4.36 4.35 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 1.26 0.00 0.00 150 E 8.74 4.50 0.00 1.90 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 2.23 2.37 0.00 151 I 8.16 4.25 1.88 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 1.37 1.04 0.93 0.00 0.00 152 A 8.58 4.07 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 0.00 153 S 8.78 4.11 0.00 3.99 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 0.00 154 D 8.00 4.61 0.00 2.81 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 0.00 155 I 7.56 4.38 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.60 0.93 0.00 0.00 156 E 8.82 4.18 0.00 2.09 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 2.30 2.29 0.00 157 I 8.30 5.03 1.87 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 1.25 0.78 0.93 0.00 0.00 158 R 9.21 4.51 0.00 1.79 1.92 0.00 3.14 0.00 0.00 2.85 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.26 0.00 159 V 8.31 4.80 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 0.81 0.00 0.00 0.97 0.00 0.00 160 Y 8.87 4.12 0.00 2.60 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 0.00 0.00 0.00 161 D 8.49 5.00 0.00 2.63 2.57 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 0.00 162 T 9.17 4.67 4.39 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 1.39 0.00 0.00 163 T 8.54 4.55 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 1.27 0.00 0.00 164 A 7.32 4.55 1.02 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 0.00 165 E 8.72 4.36 0.00 1.82 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 2.17 2.17 0.00 166 T 7.68 4.26 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 0.62 0.00 0.00 167 R 8.73 4.52 0.00 1.56 1.68 0.00 3.26 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 168 Y 8.86 5.77 0.00 2.87 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 0.00 169 M 8.21 4.88 0.00 2.00 2.07 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 2.51 2.49 0.00 170 V 8.41 4.20 2.36 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 0.77 0.00 0.00 1.02 0.00 0.00 171 L 9.02 4.59 0.00 1.74 1.71 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 172 P 0.00 5.34 0.00 2.33 2.17 0.00 3.35 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.91 0.00 173 Q 8.61 4.27 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.98 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 174 R 8.08 2.51 0.00 0.67 1.17 0.00 2.82 0.00 0.00 2.77 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.50 0.00 175 P 0.00 4.15 0.00 1.79 1.83 0.00 3.11 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.18 0.00 176 A 7.96 3.90 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 0.00 177 G 8.53 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 0.00 178 T 6.90 2.75 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 179 E 7.72 4.15 0.00 1.93 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 2.26 2.28 0.00 180 G 9.02 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 0.00 0.00 0.00 181 W 8.13 4.50 0.00 3.41 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 0.00 182 S 9.26 4.58 0.00 4.06 4.04 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 0.00 183 Q 8.59 4.13 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 184 E 8.21 4.06 0.00 2.09 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 2.36 2.44 0.00 185 Q 7.69 3.91 0.00 2.14 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 1.96 2.20 0.00 186 L 8.30 4.70 0.00 2.17 2.25 1.22 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 187 Q 8.55 4.02 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.53 2.62 0.00 188 E 7.90 4.11 0.00 2.19 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 2.36 2.57 0.00 189 I 7.67 4.59 2.20 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 1.99 0.95 1.27 0.00 0.00 190 V 7.64 4.07 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 0.67 0.00 0.00 0.73 0.00 0.00 191 T 8.01 4.42 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 1.25 0.00 0.00 192 K 8.54 3.81 0.00 1.85 1.92 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.68 7.81 193 D 8.18 4.57 0.00 2.77 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 0.00 194 C 8.02 4.65 0.00 3.22 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 0.00 195 L 7.78 4.10 0.00 1.79 1.70 0.91 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 196 I 7.89 4.03 2.09 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.82 1.22 0.00 0.00 197 G 7.56 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 0.00 0.00 0.00 198 V 7.86 4.10 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 1.01 0.00 0.00 0.95 0.00 0.00 199 A 7.91 4.84 1.22 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 0.00 200 I 8.00 4.59 1.90 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 0.70 0.94 0.00 0.00 201 P 0.00 4.51 0.00 2.45 2.28 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 202 Q 8.42 4.68 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.08 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 203 V 8.28 3.93 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 0.79 0.00 0.00 0.65 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.