NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.1751 8.0433 122.4749 55.0060 44.1589 178.7185 4 S 3.6011 8.0262 114.0487 60.5103 63.0818 173.9030 5 Q 3.6906 8.0113 121.2298 58.9294 30.0508 176.8761 6 E 3.7964 7.4841 117.6809 56.5802 29.6577 178.5668 *8 I 4.1178 7.9669 118.4532 60.7716 39.3104 178.0608 9 K 3.2801 7.4315 120.6401 59.1998 31.8108 178.7200 10 K 3.8758 7.7563 119.8223 58.8605 31.6394 178.9633 11 W 4.3240 7.6568 118.9079 59.8297 29.1848 178.2543 12 L 3.9384 8.0287 118.9000 57.8132 41.0855 179.1396 13 D 4.3328 8.0611 117.9976 57.3982 40.9735 178.1191 14 E 4.0633 8.4838 118.3182 58.4970 29.5036 178.0496 15 E 4.5301 7.6105 115.5852 55.2789 30.4878 176.9206 16 G 4.0880 7.9788 107.2779 45.4590 0.0000 174.6838 17 F 4.3532 8.4230 119.6739 60.1872 39.9460 175.7944 18 L 4.3965 8.0907 119.7633 55.5019 42.2420 175.6811 19 R 4.2836 8.7083 123.8633 58.1986 31.7603 174.8275 *21 E 4.6646 7.8143 115.7851 58.4808 31.3313 175.0355 22 V 4.2893 7.8578 121.9555 61.6491 32.7065 170.0455 23 P 4.2267 0.0000 0.0000 62.9230 29.8530 174.8585 24 D 4.5585 8.1502 125.4040 52.9696 40.3076 176.7307 25 E 4.2684 8.6002 122.3643 57.0717 29.0850 177.6485 26 N 5.0564 9.0103 117.0411 52.3202 41.6581 173.8618 27 A 4.9138 7.8397 120.0994 49.8768 20.6286 177.0448 28 R 4.2320 9.0121 121.7850 59.3062 31.0419 176.6504 29 F 4.8061 7.5192 111.3574 56.5652 41.8009 173.5821 30 H 4.6625 8.2620 117.8880 56.0073 30.8833 172.4295 31 Y 4.6890 8.8536 122.6689 57.1351 40.2218 174.5074 32 V 4.5307 8.4493 119.8991 61.4506 34.5438 174.8672 33 V 4.6701 8.9285 128.6389 62.4387 33.7445 174.5229 34 N 5.9110 9.3266 122.0405 50.1179 39.4343 171.7365 35 Y 4.3255 7.8624 121.5088 55.0210 41.7102 172.7412 36 P 4.0468 0.0000 0.0000 62.3371 35.4826 178.3348 37 E 3.2803 8.3798 118.9589 57.5372 30.6547 175.7618 38 D 4.7985 9.0006 113.7782 54.1197 41.9630 175.4173 39 H 4.2320 9.0723 121.9141 56.1318 31.0754 174.3106 40 V 4.6141 7.9214 125.3805 61.6837 32.4079 174.7820 41 I 4.6894 8.4388 128.7890 59.6347 40.6963 174.4814 42 D 5.1421 9.0665 126.1768 52.9977 43.6247 175.8712 43 I 4.8074 8.4302 122.2606 59.8647 40.0549 174.3141 44 I 4.4932 8.6738 128.3523 59.1864 40.7415 175.0059 45 Q 4.3729 7.6724 127.0093 53.1220 29.4761 172.6769 46 P 4.1210 0.0000 0.0000 62.2126 32.4872 175.6056 47 A 3.6208 8.4691 120.8493 56.4914 17.0719 179.4509 48 G 3.6863 8.1045 104.2234 47.9820 0.0000 174.4031 49 K 4.0855 7.3553 120.6779 56.2774 32.1911 176.4619 50 D 4.9055 8.6534 121.0501 52.7032 41.0126 175.2033 51 D 4.2869 7.3206 118.8833 52.2526 39.7182 175.0659 *53 I 4.0323 7.2854 111.8594 61.5785 39.9100 175.2664 54 L 4.8361 8.8578 126.3340 53.4776 44.9984 175.2640 55 I 4.8501 9.2683 126.8616 59.8092 38.8364 174.3731 56 A 5.1128 8.5791 129.0559 50.7177 22.5667 175.6612 57 C 4.6962 8.5714 119.4347 58.7239 33.6783 172.5622 58 A 4.5559 8.3167 127.0436 51.4400 19.7635 176.4870 59 T 4.5339 8.0753 116.4404 61.6249 72.8221 173.0031 60 S 5.2177 8.5572 120.8619 56.5743 64.8172 173.9711 61 V 4.1862 8.5802 125.4772 60.6907 32.2514 176.4773 62 S 4.2568 8.9995 119.4536 57.9275 63.2927 173.6490 63 P 4.2607 0.0000 0.0000 65.9429 30.5006 178.4869 64 E 3.9380 8.0696 116.8633 59.1811 29.7799 178.4317 65 H 4.3348 7.6831 115.8895 58.3059 29.1227 177.4393 66 Q 4.0048 8.2417 119.1987 57.9242 28.4531 178.5708 67 A 3.9010 7.5015 122.7889 54.9493 18.5259 179.4260 68 G 2.8521 7.0884 103.6021 48.0089 0.0000 175.6523 69 I 3.7289 6.3792 119.4338 63.1892 37.9819 177.5769 70 R 3.9872 7.4844 118.6988 58.7664 29.9111 177.9181 71 A 4.0912 7.7225 120.2366 54.1741 18.7068 178.1395 72 L 4.2621 6.6731 114.4153 54.8894 43.5672 180.5503 73 S 4.6738 8.0022 118.3901 58.2264 62.6640 175.8207 *75 E 4.3456 9.0942 117.2448 56.2893 30.7569 177.8050 76 K 4.1900 7.8356 117.3398 58.9656 31.8544 179.8457 77 R 4.0620 7.8365 119.0081 59.6431 30.1673 178.9957 78 T 3.8312 7.9485 115.0068 66.5575 68.5615 176.1864 79 E 4.2036 8.4365 121.4816 59.1988 29.6654 178.7160 80 F 4.1650 8.1178 120.9111 61.2402 39.5119 177.2891 81 I 3.5154 8.0658 119.6236 64.0761 36.7906 178.3804 82 W 4.1293 7.9434 119.7428 59.6293 28.8533 178.5616 83 K 4.0670 8.0169 118.3312 59.6709 31.5224 179.8036 84 V 3.4627 7.2893 119.1000 64.4726 31.2704 178.7313 85 R 3.9726 7.8866 118.8418 59.2836 29.7239 179.0450 86 F 4.6565 7.9406 116.3037 60.5326 39.2146 177.8913 87 T 4.1100 7.8753 115.7603 66.6895 68.3671 176.8491 88 L 3.9375 7.7441 120.8392 57.6802 41.3372 178.7870 89 N 4.7206 7.8110 114.6927 55.3199 38.8391 175.1640 90 R 4.5634 7.6411 117.1992 56.8045 30.3981 176.4670 91 F 4.4475 8.4310 115.4552 56.5081 39.5059 175.9520 92 G 4.0522 8.2656 108.1295 46.7942 0.0000 173.8763 93 V 4.7243 7.8218 110.3589 59.2249 35.6100 175.4104 94 D 5.1157 9.0572 123.2209 54.2284 42.5553 175.4107 95 F 5.4117 8.0825 114.3677 56.5792 41.1327 173.2047 96 Q 4.3311 9.3825 120.9104 54.8216 32.2273 173.2200 97 L 5.0394 8.6338 126.5601 53.6399 43.6618 175.8115 98 D 4.7464 9.5763 123.8892 52.7715 42.9406 174.5038 99 H 4.6515 7.9704 121.2994 52.8827 29.8135 171.6436 100 P 3.6192 0.0000 0.0000 65.7285 30.3882 177.3855 101 E 4.5420 8.4614 119.6031 55.9885 29.7351 176.9732 102 N 4.2561 8.0223 109.4271 54.8177 36.0899 175.5372 103 V 4.0747 6.9724 119.4661 60.3255 30.9618 173.8883 104 L 4.3246 8.4032 127.0872 55.9791 42.5074 175.4461 105 N 5.0973 9.9389 125.1423 55.0049 40.6995 174.4292 106 S 5.3352 7.8327 111.6062 57.1838 67.2734 172.1423 107 Y 5.2626 8.6984 119.1269 55.6664 41.2036 173.3383 108 L 4.9833 9.2509 127.1341 53.2638 44.6720 174.9225 109 V 4.9963 8.3668 125.5910 61.4320 34.2016 174.1200 110 T 5.2174 9.4547 122.1342 60.6100 70.9853 171.9023 111 D 5.4813 8.9633 126.9695 52.5604 45.3633 173.9028 112 E 5.0563 8.5924 119.0785 54.9744 32.5237 174.3026 113 I 4.5913 8.2841 123.6315 59.8192 39.4909 175.0674 114 F 4.7236 8.6906 123.8836 55.4517 41.1449 176.8457 115 F 4.5330 8.5089 124.7993 60.7537 39.1075 177.1850 116 D 4.5747 8.6922 119.1296 57.0290 40.8773 176.9134 117 G 4.3084 8.7593 106.8061 44.8966 0.0000 171.9215 118 L 4.3303 7.9473 122.0093 54.4226 42.8225 176.4533 119 S 4.4801 7.9741 118.9935 55.9854 67.0744 175.3919 120 K 2.4800 7.1316 121.7430 59.0094 31.6232 177.7900 121 D 4.1083 7.6162 117.8317 57.4957 40.9621 178.3426 122 R 3.8468 7.8561 118.8177 59.0442 30.0147 177.9503 123 L 3.9629 7.9411 120.5443 58.3622 42.0617 179.1499 124 I 3.5869 7.6953 119.6183 64.5403 37.0586 178.6647 125 S 4.1464 7.7525 115.9935 61.6357 62.7044 176.7694 126 S 4.2193 8.2416 115.9149 61.0771 62.0759 176.3937 127 I 3.8105 7.5487 122.7191 64.4814 37.0080 178.5975 128 K 4.3642 8.2328 119.2106 59.4380 31.9256 178.9367 129 N 4.5150 8.3348 117.5855 56.4775 38.6942 177.2177 130 V 3.6569 7.9085 119.6110 65.6118 31.4678 177.9454 131 F 4.2711 8.2950 120.6002 61.4642 39.2772 177.2693 132 R 3.3581 8.0296 117.4325 59.1242 29.3533 178.9301 133 A 2.0000 7.2357 120.1600 53.9921 18.0460 179.3900 134 K 3.8631 7.1285 115.3562 58.7259 33.1359 178.7187 135 L 3.4851 7.0274 121.7815 57.7413 41.9150 178.2035 136 Q 4.0447 7.5521 118.7461 58.3849 29.0104 177.3065 137 V 3.7523 6.6636 118.2046 62.8079 32.3444 175.9359 *139 W 4.9562 7.9651 114.3634 56.4232 30.8478 177.8669 *141 I 4.1703 7.8429 119.6958 61.6867 38.7608 178.4949 142 Q 4.1705 8.0205 118.4077 58.6860 28.9011 178.2818 143 E 3.9352 8.3002 118.5222 58.6101 29.8896 177.5930 144 R 3.9088 7.7555 117.5459 57.6310 30.4449 176.6031 145 F 4.9486 8.6471 114.2407 56.8565 39.6195 175.5676 146 G 4.0948 8.1016 115.8909 45.8569 0.0000 173.8322 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 3 L 8.04 4.18 0.00 1.66 1.65 0.79 0.58 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 4 S 8.03 3.60 0.00 3.59 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 5 Q 8.01 3.69 0.00 1.80 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.25 0.00 0.00 0.00 0.00 0.00 2.04 1.16 0.00 6 E 7.48 3.80 0.00 1.92 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 2.19 2.18 0.00 *8 I 7.97 4.12 1.89 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.72 1.05 0.00 0.00 9 K 7.43 3.28 0.00 1.17 1.65 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.20 0.99 7.81 10 K 7.76 3.88 0.00 1.78 1.46 0.00 1.62 0.00 0.00 1.52 0.00 0.00 3.18 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.61 1.38 7.81 11 W 7.66 4.32 0.00 3.54 2.90 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 12 L 8.03 3.94 0.00 1.76 1.77 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.06 4.33 0.00 2.90 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 14 E 8.48 4.06 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 15 E 7.61 4.53 0.00 1.36 1.57 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 2.14 1.82 0.00 16 G 7.98 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 0.00 0.00 0.00 17 F 8.42 4.35 0.00 3.14 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 18 L 8.09 4.40 0.00 1.56 1.60 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.71 4.28 0.00 2.05 1.91 0.00 3.53 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.84 0.00 *21 E 7.81 4.66 0.00 1.94 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 2.43 2.46 0.00 22 V 7.86 4.29 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 0.52 0.00 0.00 0.85 0.00 0.00 23 P 0.00 4.23 0.00 2.18 2.13 0.00 3.72 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 24 D 8.15 4.56 0.00 2.64 2.60 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 25 E 8.60 4.27 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 26 N 9.01 5.06 0.00 2.66 2.75 0.00 0.00 6.76 7.43 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 27 A 7.84 4.91 1.21 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 0.00 0.00 28 R 9.01 4.23 0.00 1.92 2.19 0.00 3.37 0.00 0.00 3.36 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 29 F 7.52 4.81 0.00 2.68 2.95 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 30 H 8.26 4.66 0.00 3.07 3.29 0.00 5.72 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.85 4.69 0.00 3.20 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 32 V 8.45 4.53 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 1.03 0.00 0.00 1.10 0.00 0.00 33 V 8.93 4.67 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.10 0.00 0.00 34 N 9.33 5.91 0.00 2.53 2.77 0.00 0.00 6.63 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 7.86 4.33 0.00 1.74 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.05 0.00 1.88 1.20 0.00 2.74 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.33 0.00 37 E 8.38 3.28 0.00 1.96 1.66 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 2.20 2.30 0.00 38 D 9.00 4.80 0.00 2.66 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 H 9.07 4.23 0.00 2.87 3.05 0.00 5.57 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.92 4.61 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 0.84 0.00 0.00 0.93 0.00 0.00 41 I 8.44 4.69 1.94 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 1.35 0.82 1.07 0.00 0.00 42 D 9.07 5.14 0.00 2.56 2.45 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 43 I 8.43 4.81 2.14 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.70 1.14 0.00 0.00 44 I 8.67 4.49 1.72 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 0.70 0.72 0.76 0.00 0.00 45 Q 7.67 4.37 0.00 1.15 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.22 2.12 0.00 46 P 0.00 4.12 0.00 2.01 1.93 0.00 3.49 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 2.01 2.03 0.00 47 A 8.47 3.62 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 48 G 8.10 3.69 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 0.00 0.00 0.00 49 K 7.36 4.09 0.00 1.82 1.64 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.42 7.81 50 D 8.65 4.91 0.00 2.78 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 51 D 7.32 4.29 0.00 2.86 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 *53 I 7.29 4.03 1.99 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.71 1.46 0.00 0.00 54 L 8.86 4.84 0.00 1.61 1.51 0.87 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 55 I 9.27 4.85 2.02 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.14 0.99 0.00 0.00 56 A 8.58 5.11 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 57 C 8.57 4.70 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 58 A 8.32 4.56 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 59 T 8.08 4.53 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 1.08 0.00 0.00 60 S 8.56 5.22 0.00 3.85 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 61 V 8.58 4.19 2.29 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 0.93 0.00 0.00 1.06 0.00 0.00 62 S 9.00 4.26 0.00 4.07 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 63 P 0.00 4.26 0.00 2.25 2.33 0.00 3.66 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 2.04 2.00 0.00 64 E 8.07 3.94 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 65 H 7.68 4.33 0.00 3.41 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.24 4.00 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 67 A 7.50 3.90 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 68 G 7.09 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 0.00 0.00 0.00 69 I 6.38 3.73 1.61 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 1.34 0.79 0.80 0.00 0.00 70 R 7.48 3.99 0.00 1.91 1.99 0.00 3.28 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 71 A 7.72 4.09 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 72 L 6.67 4.26 0.00 1.84 1.69 1.09 1.00 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 73 S 8.00 4.67 0.00 4.02 3.17 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 *75 E 9.09 4.35 0.00 2.17 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 2.34 2.45 0.00 76 K 7.84 4.19 0.00 1.88 1.93 0.00 1.60 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.58 7.81 77 R 7.84 4.06 0.00 1.85 2.11 0.00 3.15 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 78 T 7.95 3.83 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 1.36 0.00 0.00 79 E 8.44 4.20 0.00 2.26 2.32 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 2.44 2.44 0.00 80 F 8.12 4.16 0.00 3.30 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 81 I 8.07 3.52 1.55 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 1.77 1.00 0.46 0.00 0.00 82 W 7.94 4.13 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 83 K 8.02 4.07 0.00 1.76 1.76 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.61 7.81 84 V 7.29 3.46 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.66 0.00 0.00 85 R 7.89 3.97 0.00 1.81 2.02 0.00 2.43 0.00 0.00 2.98 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 86 F 7.94 4.66 0.00 3.08 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 87 T 7.88 4.11 4.30 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 1.34 0.00 0.00 88 L 7.74 3.94 0.00 0.47 0.56 0.50 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 89 N 7.81 4.72 0.00 3.21 3.03 0.00 0.00 7.14 7.68 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 90 R 7.64 4.56 0.00 1.94 1.74 0.00 3.15 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 91 F 8.43 4.45 0.00 3.17 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 92 G 8.27 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 93 V 7.82 4.72 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 0.94 0.00 0.00 1.02 0.00 0.00 94 D 9.06 5.12 0.00 2.93 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 8.08 5.41 0.00 3.21 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 96 Q 9.38 4.33 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 97 L 8.63 5.04 0.00 1.64 1.72 0.97 1.15 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 98 D 9.58 4.75 0.00 2.71 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 99 H 7.97 4.65 0.00 3.08 3.32 0.00 5.43 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 3.62 0.00 2.06 1.97 0.00 3.90 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 101 E 8.46 4.54 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 102 N 8.02 4.26 0.00 2.90 2.97 0.00 0.00 7.02 7.68 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 0.00 103 V 6.97 4.07 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 0.92 0.00 0.00 0.97 0.00 0.00 104 L 8.40 4.32 0.00 1.83 1.77 1.07 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 105 N 9.94 5.10 0.00 2.81 3.06 0.00 0.00 6.27 5.12 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 0.00 106 S 7.83 5.34 0.00 3.90 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 0.00 107 Y 8.70 5.26 0.00 3.12 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 9.25 4.98 0.00 1.68 1.59 0.93 0.56 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 0.00 109 V 8.37 5.00 2.11 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 0.90 0.00 0.00 1.03 0.00 0.00 110 T 9.45 5.22 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 111 D 8.96 5.48 0.00 2.90 2.49 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 0.00 112 E 8.59 5.06 0.00 1.70 1.82 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 2.13 2.40 0.00 113 I 8.28 4.59 1.99 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 1.31 0.68 1.09 0.00 0.00 114 F 8.69 4.72 0.00 3.17 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 0.00 115 F 8.51 4.53 0.00 3.10 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 0.00 116 D 8.69 4.57 0.00 2.76 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 0.00 117 G 8.76 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 0.00 0.00 0.00 0.00 118 L 7.95 4.33 0.00 1.92 1.88 1.16 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 119 S 7.97 4.48 0.00 3.84 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 0.00 120 K 7.13 2.48 0.00 0.79 1.08 0.00 1.36 0.00 0.00 1.42 0.00 0.00 2.65 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.95 0.58 7.81 121 D 7.62 4.11 0.00 2.66 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 R 7.86 3.85 0.00 1.94 1.82 0.00 3.23 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 123 L 7.94 3.96 0.00 1.85 1.68 1.06 1.22 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 0.00 124 I 7.70 3.59 1.67 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.50 0.64 0.00 0.00 125 S 7.75 4.15 0.00 3.80 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 0.00 126 S 8.24 4.22 0.00 3.99 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 0.00 127 I 7.55 3.81 2.14 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.72 1.03 0.00 0.00 128 K 8.23 4.36 0.00 1.88 2.03 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.22 1.42 7.81 129 N 8.33 4.52 0.00 3.04 2.90 0.00 0.00 6.72 7.72 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 0.00 130 V 7.91 3.66 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 1.00 0.00 0.00 1.11 0.00 0.00 131 F 8.30 4.27 0.00 3.25 3.40 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 0.00 132 R 8.03 3.36 0.00 1.94 2.00 0.00 3.35 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.11 0.00 133 A 7.24 2.00 0.75 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 0.00 0.00 134 K 7.13 3.86 0.00 1.97 1.90 0.00 1.53 0.00 0.00 1.54 0.00 0.00 3.38 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.42 7.81 135 L 7.03 3.49 0.00 0.27 0.91 0.05 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 7.55 4.04 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.44 0.00 0.00 0.00 0.00 0.00 2.63 2.53 0.00 137 V 6.66 3.75 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 0.07 0.00 0.00 0.67 0.00 0.00 *139 W 7.97 4.96 0.00 3.64 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 *141 I 7.84 4.17 1.98 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.16 0.93 0.00 0.00 142 Q 8.02 4.17 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.92 0.00 0.00 0.00 0.00 0.00 2.63 2.53 0.00 143 E 8.30 3.94 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.19 0.00 144 R 7.76 3.91 0.00 1.49 1.05 0.00 3.03 0.00 0.00 2.59 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.20 0.00 145 F 8.65 4.95 0.00 3.01 2.90 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 0.00 146 G 8.10 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.