NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 R 4.5102 8.2393 121.1183 56.5552 31.2488 174.1980 12 T 4.4813 8.7492 117.6987 59.7190 71.4182 171.5871 13 Y 4.8839 9.4516 123.3071 57.0156 39.2573 176.6073 14 L 4.6126 8.9309 123.9126 56.1721 43.5383 176.4568 15 Y 4.8191 7.8048 118.1107 56.6122 42.3925 173.7179 16 R 4.8978 7.5238 124.4576 53.4645 32.3984 174.4284 17 G 4.2445 8.1623 115.3215 43.9677 0.0000 171.1967 18 R 3.9758 8.6880 117.4635 58.7522 30.6202 177.4497 19 I 4.4965 7.6160 109.2868 60.8397 39.7275 173.9552 20 L 5.1388 7.6615 122.1602 54.8402 44.2068 174.0998 21 N 5.5187 9.1513 116.2345 51.4810 42.8379 173.2455 22 L 4.9928 9.3452 125.2943 53.6301 43.9725 175.0793 23 A 5.1466 9.5426 127.5366 49.9801 23.3212 174.2964 24 L 4.9453 9.0343 118.6003 53.1072 45.2034 175.9066 25 E 4.2187 9.3997 126.1073 54.7169 29.9847 178.4217 26 G 3.8533 8.7690 118.5204 46.3284 0.0000 173.2588 27 R 4.1297 9.1561 125.0958 57.0172 31.2298 174.6940 28 Y 4.3285 7.9165 116.7607 57.3870 38.6869 173.9780 29 E 4.9604 8.8121 124.4024 55.3768 30.7206 175.4041 30 I 4.7182 8.8369 126.5453 59.4236 40.4465 175.0555 31 V 4.7610 9.0301 127.5616 61.1666 33.1965 174.4592 32 E 4.8476 9.0914 128.9612 56.7108 30.6136 175.7758 33 H 5.3644 9.6127 122.9163 54.3817 33.3434 173.2640 34 K 4.3547 7.9709 123.4712 55.7234 32.6905 175.3309 35 P 4.7150 0.0000 0.0000 63.0878 32.8844 174.6068 36 A 5.3595 9.1095 121.9990 50.4558 23.3057 175.1076 37 V 5.1891 8.9219 111.1150 59.8524 36.2857 175.0615 38 A 5.1447 9.1017 122.8537 50.4550 22.9776 175.2924 39 V 4.7013 8.7336 121.0733 61.1849 34.0965 174.9220 40 I 4.3030 8.9626 129.6169 60.0433 38.6979 174.6807 41 A 5.1397 8.3874 128.5742 49.9649 21.8839 174.2334 42 L 5.1346 8.7384 124.2304 53.3144 44.7310 175.9198 43 R 4.3312 9.3185 125.8827 56.1155 32.6873 174.7591 44 E 3.8014 9.9751 127.4669 57.5043 27.0374 175.8214 45 G 4.0748 8.2307 106.6592 45.1643 0.0000 172.8712 46 R 4.8215 7.7723 119.0336 54.9110 32.4615 175.1096 47 M 4.8078 9.1344 123.2738 54.0231 34.5503 175.1273 48 L 3.4801 8.1363 128.1549 54.1898 41.1820 175.9411 49 F 4.9751 8.5499 124.2830 56.1669 41.6777 175.0929 50 V 5.1145 8.9871 113.0989 60.0545 36.4038 174.8625 51 R 5.1954 9.0961 121.4682 54.8196 34.4002 174.2840 52 Q 4.8396 8.3605 118.5299 54.7950 32.0999 173.1985 53 M 4.1464 8.7630 121.9448 56.1580 33.1132 175.5430 54 R 4.4824 8.6621 125.6594 53.8894 30.7296 174.9382 55 P 4.1527 0.0000 0.0000 65.3958 31.6951 179.0081 56 A 4.1799 8.1479 119.9247 54.4263 18.3396 178.2000 57 V 4.2165 7.1359 102.9850 60.2941 33.2451 176.4480 58 G 3.9218 9.1552 108.0645 45.6177 0.0000 172.8109 59 L 4.4411 7.4378 118.1126 54.8240 44.0652 173.7442 60 A 5.0915 8.6503 121.4847 48.6142 19.1656 174.6474 61 P 4.5219 0.0000 0.0000 62.9472 33.0742 176.0615 62 L 4.2893 9.1672 123.9423 54.9519 42.9729 175.3896 63 E 5.3620 9.1312 126.2031 54.5294 33.7140 174.6340 64 I 4.8412 7.7761 111.9210 58.1993 40.8425 173.8324 65 P 4.7329 0.0000 0.0000 62.8268 31.8824 175.3077 66 A 5.0526 8.5527 124.9646 51.1644 22.7637 174.8792 67 G 4.1109 8.4625 105.3497 46.4504 0.0000 172.4233 68 L 5.0021 8.4257 119.8450 53.7239 42.9684 177.2152 69 I 4.0800 8.3479 124.1994 61.3326 37.8035 176.2548 70 E 4.3148 9.5805 127.0809 54.6859 30.4407 174.4775 71 P 4.4215 0.0000 0.0000 64.2513 31.7509 177.0665 72 G 3.9977 9.1171 111.5602 44.8160 0.0000 172.9571 73 E 4.7595 7.4931 116.2656 54.6227 31.9586 175.5858 74 D 4.7707 8.6490 120.8700 51.2295 42.8477 175.6326 75 P 4.2220 0.0000 0.0000 65.7126 31.2294 178.4924 76 L 3.1659 7.9494 118.3524 58.1218 41.9450 178.7575 77 E 3.8622 8.5232 118.1941 59.2882 29.2919 179.2207 78 A 4.1017 8.0402 120.6036 54.9763 18.4038 179.5606 79 A 3.7671 7.9024 119.4598 55.1949 18.3624 180.0197 80 R 3.7209 7.7025 116.4773 59.3793 30.1500 179.2349 81 R 3.8125 8.0218 118.4851 59.3802 29.8444 178.0226 82 E 3.8780 8.4042 119.4240 59.2218 29.5482 178.5234 83 L 3.9572 7.8953 120.0566 58.0281 42.1222 178.8011 84 A 4.1394 7.8417 121.9737 54.8428 18.1472 179.5467 85 E 3.9783 8.3385 116.2179 59.4959 29.6853 179.0754 86 E 4.2313 8.3966 118.8684 58.2952 29.5244 178.0939 87 T 4.4970 7.8511 105.3619 60.0519 70.2285 174.3816 88 G 3.9821 8.6154 110.4725 46.2044 0.0000 172.8834 89 L 5.4864 7.4424 117.3774 52.6369 45.6536 175.4831 90 S 4.7689 8.9017 114.9451 57.1832 67.2432 172.8310 91 G 3.9398 7.9278 105.2048 46.2400 0.0000 172.4382 92 D 4.7916 8.7965 121.2442 53.5125 41.2877 176.0895 93 L 5.1082 8.3762 123.9770 54.0579 43.3128 176.6632 94 T 4.7326 8.8311 119.2908 61.6038 72.1989 172.7789 95 Y 3.5088 8.9006 128.1247 57.9990 38.9700 174.3748 96 L 3.8999 7.0581 127.0527 54.4863 42.7803 176.6220 97 F 4.3991 5.4600 110.5013 56.3981 40.7534 171.5252 98 S 5.3607 8.7230 112.8089 57.2198 66.3781 172.7223 99 Y 4.7876 8.1515 116.8376 55.9418 40.3751 173.5174 100 F 4.7639 8.7686 120.5359 56.7024 39.8088 177.1096 101 V 4.0841 8.3447 118.3639 64.8505 31.9522 176.7141 102 S 4.8068 7.3595 106.5928 56.8107 64.3383 174.1498 103 P 4.4818 0.0000 0.0000 63.5523 31.4228 178.7999 104 G 3.8716 8.0614 107.7881 47.8307 0.0000 174.2766 105 F 4.9930 7.9542 111.1896 56.1883 40.0347 173.9375 106 T 5.1406 7.4921 114.7820 59.0606 70.0306 173.0792 107 D 4.8618 8.3958 124.2575 53.0178 40.7487 175.8198 108 E 3.9890 7.9092 122.3493 57.0958 30.6431 175.3615 109 K 4.6634 8.7315 127.6657 54.7403 35.3663 174.3550 110 T 4.8829 8.3426 123.7029 61.9969 71.4518 172.6222 111 H 5.0583 9.1912 124.0630 54.2612 30.9610 173.9249 112 V 4.8524 8.6954 124.1696 61.3050 33.5720 174.5919 113 F 5.0710 9.1792 125.5382 55.5053 43.2531 173.4759 114 L 5.0387 8.8414 122.9212 53.3267 44.3732 174.8180 115 A 5.1583 9.0038 128.0307 50.3083 20.9637 175.4254 116 E 4.6207 8.9375 121.4295 54.1050 33.8062 175.3409 117 N 4.1328 8.5903 116.1334 54.4053 35.9293 174.9254 118 L 4.4742 7.5392 116.6770 54.9761 43.1445 177.4177 119 K 4.7560 9.0332 121.1244 54.6074 36.8665 175.3429 120 E 4.6425 8.8699 123.1586 56.5363 29.3907 176.7664 121 V 4.3090 8.8817 118.3018 61.5249 33.6459 176.3483 122 E 4.5551 7.9271 119.3925 54.4101 32.5017 176.5146 123 A 4.1815 8.6070 127.2156 52.2943 18.1722 176.3762 *126 D 4.3771 8.0601 118.7455 54.5046 40.2908 176.1017 127 E 4.0427 8.8436 124.7722 58.6416 29.8607 177.1228 128 D 4.4872 8.0641 116.6720 54.7088 41.3314 175.8069 129 E 3.8702 7.9245 117.3579 57.2951 27.4075 175.7356 130 A 4.1449 9.0683 123.2875 53.8780 18.9300 178.3391 131 I 4.5174 7.6743 115.6240 59.1234 40.6560 174.3239 132 E 4.4166 9.3479 131.3416 55.0725 30.9349 174.9237 133 V 4.0295 8.3971 127.7767 62.4789 32.6386 175.7906 134 V 4.4036 9.0393 129.0016 60.5557 32.4597 172.9063 135 W 4.9192 8.6268 125.1882 56.4498 29.8714 175.0644 136 M 4.9776 9.4534 123.6657 54.1673 36.0726 174.2009 137 R 4.5660 8.6759 123.6971 55.1579 31.0850 176.0262 138 P 4.5345 0.0000 0.0000 65.9277 31.2185 178.7163 139 E 4.1669 8.1179 116.9700 59.3121 29.3264 178.7862 140 E 4.0008 8.1075 118.8641 58.9658 29.8471 178.4639 141 A 3.8348 8.1622 120.9780 54.9412 18.3515 179.3687 142 L 4.1653 8.2798 118.9526 58.2500 42.3015 178.6220 143 E 3.9272 8.2200 119.2347 59.6242 29.6040 179.0553 144 R 3.8812 8.2037 118.1911 59.4381 29.9882 178.6416 145 H 4.1671 8.0311 119.3220 58.8298 29.6333 177.4218 146 Q 3.9541 8.1554 118.7669 58.6367 28.5806 178.3159 147 R 4.2504 7.6673 117.0839 56.2812 30.3697 177.3213 148 G 3.7805 7.8291 106.9274 45.8610 0.0000 174.3191 149 E 4.1131 8.4148 123.0574 58.0177 29.7565 177.0123 150 V 4.5160 7.1127 109.7144 59.7300 36.4481 174.2571 151 E 4.5309 8.5890 121.7648 55.2778 31.9212 174.9473 152 F 5.6549 8.6297 120.1404 56.0805 41.8185 175.4115 153 S 4.8021 8.5283 116.3728 56.8512 65.4866 175.0709 154 A 3.9900 8.7853 121.8430 55.6235 18.0379 179.9582 155 T 4.0226 8.1181 107.9277 64.8714 68.8760 176.8281 156 G 3.7691 8.2353 108.6225 47.5091 0.0000 175.4702 157 L 3.0517 7.6483 123.1521 57.4286 42.0508 179.0840 158 V 3.6598 7.9567 118.5411 65.9189 31.4162 178.2407 159 G 3.6826 8.2624 105.4017 47.7708 0.0000 175.8235 160 V 3.8138 7.8813 120.9624 65.8173 31.6744 178.1333 161 L 4.0127 8.3956 119.0971 57.9214 41.3841 178.8392 162 Y 4.1202 8.6738 119.9378 60.7788 38.6632 177.4534 163 Y 4.0652 8.3813 120.3376 61.3187 38.7806 177.9052 164 H 3.7953 8.1809 115.1318 58.4908 28.7813 177.3775 165 A 3.7352 7.3691 121.6590 53.8866 18.5690 178.1004 166 F 4.7438 7.4796 111.4526 56.9486 40.8370 175.6808 167 L 4.5405 7.7096 119.6425 54.5270 41.9149 177.4573 168 R 3.9237 7.4804 117.8392 57.5057 30.6002 176.6832 169 G 3.7184 7.8154 111.1907 45.6207 0.0000 173.4838 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 11 R 8.24 4.51 0.00 1.77 1.85 0.00 3.12 0.00 0.00 3.13 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.39 0.00 12 T 8.75 4.48 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 13 Y 9.45 4.88 0.00 2.89 2.99 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 14 L 8.93 4.61 0.00 1.62 1.80 0.95 1.03 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 15 Y 7.80 4.82 0.00 3.08 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 16 R 7.52 4.90 0.00 1.56 1.61 0.00 3.08 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.43 0.00 17 G 8.16 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 0.00 0.00 0.00 0.00 18 R 8.69 3.98 0.00 1.86 2.00 0.00 3.34 0.00 0.00 3.28 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 19 I 7.62 4.50 1.78 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.94 0.92 0.00 0.00 20 L 7.66 5.14 0.00 1.99 1.84 1.16 0.49 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 21 N 9.15 5.52 0.00 2.82 3.01 0.00 0.00 6.92 6.20 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 22 L 9.35 4.99 0.00 1.90 1.74 1.00 1.02 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 0.00 23 A 9.54 5.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 9.03 4.95 0.00 1.53 1.52 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 25 E 9.40 4.22 0.00 1.93 1.84 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 2.19 2.20 0.00 26 G 8.77 3.85 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 0.00 0.00 0.00 27 R 9.16 4.13 0.00 1.65 1.60 0.00 2.56 0.00 0.00 2.95 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.47 0.00 28 Y 7.92 4.33 0.00 3.18 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 29 E 8.81 4.96 0.00 1.90 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 2.27 2.34 0.00 30 I 8.84 4.72 1.86 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 1.30 1.20 0.91 0.00 0.00 31 V 9.03 4.76 2.19 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 1.13 0.00 0.00 1.23 0.00 0.00 32 E 9.09 4.85 0.00 2.10 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 2.40 2.35 0.00 33 H 9.61 5.36 0.00 3.08 3.08 0.00 5.76 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 34 K 7.97 4.35 0.00 1.78 1.74 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.35 7.81 35 P 0.00 4.71 0.00 2.16 2.22 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 2.09 1.99 0.00 36 A 9.11 5.36 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 37 V 8.92 5.19 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 0.88 0.00 0.00 0.93 0.00 0.00 38 A 9.10 5.14 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 39 V 8.73 4.70 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 0.79 0.00 0.00 0.94 0.00 0.00 40 I 8.96 4.30 1.74 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.36 0.98 0.00 0.00 41 A 8.39 5.14 1.18 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 0.00 0.00 42 L 8.74 5.13 0.00 1.71 1.67 0.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 43 R 9.32 4.33 0.00 1.84 1.26 0.00 3.13 0.00 0.00 2.58 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.51 0.00 44 E 9.98 3.80 0.00 1.98 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 2.20 0.00 45 G 8.23 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 0.00 0.00 0.00 46 R 7.77 4.82 0.00 1.99 2.17 0.00 2.97 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 47 M 9.13 4.81 0.00 1.40 1.64 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.43 0.00 48 L 8.14 3.48 0.00 0.27 1.00 -0.01 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.55 4.98 0.00 3.32 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 50 V 8.99 5.11 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 0.76 0.00 0.00 0.98 0.00 0.00 51 R 9.10 5.20 0.00 1.84 1.76 0.00 3.11 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 52 Q 8.36 4.84 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.09 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 53 M 8.76 4.15 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 54 R 8.66 4.48 0.00 1.95 1.87 0.00 3.40 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.75 0.00 55 P 0.00 4.15 0.00 2.19 2.13 0.00 3.63 0.00 0.00 4.01 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 56 A 8.15 4.18 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 57 V 7.14 4.22 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 1.03 0.00 0.00 58 G 9.16 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 59 L 7.44 4.44 0.00 1.73 1.75 0.95 0.53 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 60 A 8.65 5.09 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 61 P 0.00 4.52 0.00 2.15 2.10 0.00 3.81 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 2.20 2.01 0.00 62 L 9.17 4.29 0.00 1.59 1.57 0.77 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 9.13 5.36 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 2.30 2.48 0.00 64 I 7.78 4.84 1.98 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.71 0.85 0.00 0.00 65 P 0.00 4.73 0.00 2.03 2.00 0.00 4.00 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 1.97 1.84 0.00 66 A 8.55 5.05 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 67 G 8.46 4.11 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 0.00 0.00 0.00 68 L 8.43 5.00 0.00 1.54 1.61 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.35 4.08 1.87 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 1.22 0.61 0.89 0.00 0.00 70 E 9.58 4.31 0.00 2.04 1.84 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 2.30 2.40 0.00 71 P 0.00 4.42 0.00 2.02 1.97 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 72 G 9.12 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 73 E 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0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 82 E 8.40 3.88 0.00 2.21 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 2.33 2.35 0.00 83 L 7.90 3.96 0.00 1.84 1.75 0.87 1.05 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 84 A 7.84 4.14 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 85 E 8.34 3.98 0.00 1.90 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 2.33 2.57 0.00 86 E 8.40 4.23 0.00 2.08 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 2.55 0.00 87 T 7.85 4.50 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 88 G 8.62 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 89 L 7.44 5.49 0.00 1.65 1.58 1.11 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.90 4.77 0.00 3.79 3.90 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 0.00 0.00 0.00 91 G 7.93 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 0.00 0.00 0.00 92 D 8.80 4.79 0.00 2.58 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 93 L 8.38 5.11 0.00 1.48 1.63 0.93 0.66 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 94 T 8.83 4.73 4.22 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 1.19 0.00 0.00 95 Y 8.90 3.51 0.00 2.74 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 96 L 7.06 3.90 0.00 0.27 0.13 -0.40 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 97 F 5.46 4.40 0.00 2.86 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.72 5.36 0.00 3.63 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.15 4.79 0.00 2.95 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 0.00 100 F 8.77 4.76 0.00 3.13 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 0.00 101 V 8.34 4.08 2.19 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 0.59 0.00 0.00 0.97 0.00 0.00 102 S 7.36 4.81 0.00 3.90 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 0.00 103 P 0.00 4.48 0.00 2.07 2.00 0.00 3.50 0.00 0.00 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 104 G 8.06 3.87 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 0.00 0.00 0.00 105 F 7.95 4.99 0.00 3.26 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 0.00 106 T 7.49 5.14 3.27 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 0.55 0.00 0.00 107 D 8.40 4.86 0.00 2.75 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 0.00 108 E 7.91 3.99 0.00 1.86 1.78 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 2.20 2.37 0.00 109 K 8.73 4.66 0.00 1.66 1.43 0.00 1.27 0.00 0.00 1.56 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.82 0.30 7.81 110 T 8.34 4.88 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 111 H 9.19 5.06 0.00 3.34 3.41 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 0.00 112 V 8.70 4.85 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 0.92 0.00 0.00 1.23 0.00 0.00 113 F 9.18 5.07 0.00 2.93 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.84 5.04 0.00 1.50 1.42 1.01 0.93 0.00 0.00 0.00 0.00 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 0.00 142 L 8.28 4.17 0.00 2.04 1.96 1.08 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.22 3.93 0.00 2.19 2.19 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 2.31 2.37 0.00 144 R 8.20 3.88 0.00 1.89 1.97 0.00 3.09 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.93 0.00 145 H 8.03 4.17 0.00 2.35 3.30 0.00 5.64 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 0.00 146 Q 8.16 3.95 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.67 0.00 147 R 7.67 4.25 0.00 1.99 1.93 0.00 3.22 0.00 0.00 3.48 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 148 G 7.83 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 0.00 149 E 8.41 4.11 0.00 1.83 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 2.26 2.38 0.00 150 V 7.11 4.52 1.87 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 0.66 0.00 0.00 0.60 0.00 0.00 151 E 8.59 4.53 0.00 1.87 1.87 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 2.29 2.26 0.00 152 F 8.63 5.65 0.00 2.83 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 0.00 153 S 8.53 4.80 0.00 3.93 4.09 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 0.00 154 A 8.79 3.99 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 0.00 0.00 155 T 8.12 4.02 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 1.38 0.00 0.00 156 G 8.24 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 0.00 157 L 7.65 3.05 0.00 1.28 1.58 0.54 0.73 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 0.00 158 V 7.96 3.66 2.26 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 1.05 0.00 0.00 0.60 0.00 0.00 159 G 8.26 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 0.00 0.00 0.00 160 V 7.88 3.81 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.22 0.00 0.00 161 L 8.40 4.01 0.00 1.68 1.67 0.83 0.72 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 0.00 162 Y 8.67 4.12 0.00 3.41 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 0.00 163 Y 8.38 4.07 0.00 3.23 3.27 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 0.00 164 H 8.18 3.80 0.00 3.31 3.30 0.00 5.70 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 A 7.37 3.74 0.43 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 0.00 0.00 166 F 7.48 4.74 0.00 2.40 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 0.00 167 L 7.71 4.54 0.00 1.59 1.76 1.27 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 168 R 7.48 3.92 0.00 1.58 1.83 0.00 2.82 0.00 0.00 3.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.79 0.00 169 G 7.82 3.72 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.