NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2048 8.2644 123.5874 51.7770 19.8037 176.7984 3 L 4.1380 8.1869 121.9028 53.7960 40.7217 174.0762 4 L 4.8138 7.6794 123.8775 51.7394 46.8031 174.2779 5 P 4.4612 0.0000 0.0000 62.5047 32.1003 176.2337 6 D 4.6482 8.3257 119.4665 52.3063 41.7264 177.2414 7 K 3.7482 8.4493 119.0511 59.9917 31.7319 178.9322 8 E 4.2714 8.3438 117.8032 59.5927 29.3598 179.4077 9 K 4.0150 8.8028 119.7721 59.2232 32.3280 178.2931 10 L 4.0044 8.5888 121.1258 58.3603 41.9623 178.7031 11 L 4.3147 8.4576 120.0051 58.5626 42.0777 179.0802 12 R 4.0119 7.8876 117.9044 59.3866 29.7520 178.7777 13 N 4.2072 8.2588 115.4715 56.3384 38.8370 177.1049 14 F 4.4725 8.3204 119.0751 60.7313 38.8301 177.7415 15 L 4.1314 8.0065 117.3790 57.7244 41.4665 179.2690 16 R 4.1772 7.5943 115.9344 56.7808 30.4500 176.8596 17 C 4.1394 7.3512 117.0830 60.1969 28.4278 173.7595 18 A 4.3381 9.3485 127.4319 53.3622 19.0497 176.8913 19 N 4.7718 7.7386 112.0941 50.2563 40.9473 174.9385 20 W 4.0927 8.8226 130.5847 60.8659 30.5182 177.5247 21 E 3.9853 8.5577 118.3446 59.3690 29.2082 178.0154 22 E 3.9225 8.9032 119.7437 59.2756 29.7219 178.7911 23 K 4.0442 8.0337 119.5818 59.5389 32.4051 178.1014 24 Y 3.7814 7.6157 119.8358 60.7815 38.5914 178.2843 25 L 4.0196 8.2760 119.7928 57.5164 41.5971 178.8613 26 Y 4.2421 7.9335 120.0682 60.5717 38.7172 177.7903 27 I 3.5077 7.6488 120.6560 64.3195 37.2091 178.4382 28 I 3.5333 7.3486 120.3247 64.1775 36.6431 178.0291 29 E 3.8858 8.1201 119.5928 59.3288 29.7527 178.4895 30 L 4.0351 8.0118 119.4855 57.7140 41.6041 179.8425 31 G 3.5126 7.8089 105.1504 47.7861 0.0000 175.4434 32 Q 4.1631 7.8957 118.6717 57.6120 28.7820 177.8101 33 R 4.3173 7.2871 117.2488 55.2983 30.9020 176.3625 34 L 4.3094 7.2605 120.1090 53.4136 42.4252 175.3328 35 P 4.4494 0.0000 0.0000 62.1548 32.0081 176.2887 36 E 4.1135 8.4772 120.9710 56.1773 30.0411 177.2563 37 L 4.1390 8.1865 122.6620 54.1670 42.6688 177.1153 38 R 3.7451 8.4568 121.8664 56.3591 30.3795 174.0501 39 D 4.5416 8.5387 124.3014 55.3979 40.5375 175.5861 40 E 3.6163 8.4114 127.3484 57.5389 26.2200 175.4378 41 D 4.4556 8.3694 118.9742 55.6241 41.7418 177.1289 42 R 3.8213 7.4006 119.0333 55.6284 27.9662 174.9435 43 S 4.9786 7.8401 118.0073 55.1613 66.3929 173.6412 44 P 4.4313 0.0000 0.0000 65.3441 31.5232 178.2450 45 Q 4.0931 8.2975 119.5935 59.4039 29.2710 176.9848 46 N 4.8732 8.0708 114.0100 53.5334 38.4415 174.1932 47 S 4.6984 7.5871 114.3292 57.9193 63.0657 173.4627 48 I 4.5944 8.5798 127.7058 59.7319 39.2110 175.0108 49 Q 4.4157 8.7104 123.0616 54.7435 32.3108 175.6115 50 G 3.8838 9.0504 109.1487 46.1039 0.0000 173.5624 51 C 4.5347 7.8432 113.9135 58.3210 28.4480 173.3584 52 Q 3.2977 7.9618 118.7317 56.0175 27.0002 173.0839 53 S 4.6007 7.2375 108.8168 57.7481 64.6253 175.9913 54 Q 3.8447 7.6811 119.7795 55.4143 29.5627 175.5445 55 V 4.7516 7.6638 123.5713 60.6827 35.1422 173.9497 56 W 5.4091 9.4305 127.2214 55.0394 32.5892 174.5557 57 I 5.3519 9.1878 125.3195 59.9374 40.4273 175.1751 58 V 4.3645 8.9311 127.3904 59.8765 34.6097 174.6181 *60 R 4.3622 8.2028 117.6015 56.1719 32.0587 174.8681 61 Q 4.8456 8.3343 122.9051 54.1124 31.1037 175.4341 62 N 4.6604 8.5356 123.4855 51.7791 39.0766 175.3368 63 A 4.1248 8.4778 119.8262 54.5457 18.3666 178.1542 64 Q 4.3683 8.6316 114.5515 55.1986 29.0486 177.3416 65 G 3.9276 8.1454 106.1253 46.4036 0.0000 174.2255 66 I 4.0470 7.2137 121.0542 60.6023 38.0371 174.8198 67 I 4.6148 8.0479 124.7328 60.7297 37.9810 174.9048 68 E 4.6225 9.7132 127.5749 54.4388 31.3836 175.5197 69 L 4.8219 8.1403 123.2995 52.8992 44.9598 175.8663 70 Q 4.8133 8.6254 120.2558 54.7313 33.4071 174.3704 71 G 4.5284 8.6402 107.5838 46.3976 0.0000 171.2922 72 D 4.7608 8.7103 116.5338 53.7367 45.0792 174.3346 73 S 5.2523 8.5960 117.0971 56.7454 65.5465 173.1755 74 D 4.6592 9.3311 123.3585 56.0451 41.9172 176.1447 75 A 4.6102 8.1010 122.2450 50.0555 20.7242 176.7665 76 A 3.9606 8.9193 125.6693 55.7310 18.3566 179.6580 77 I 3.4484 7.6199 117.4270 64.4668 37.2338 178.7249 78 V 3.5483 7.6653 118.6331 65.7929 31.4322 177.8331 79 K 3.9948 8.3455 119.7501 59.2340 31.9348 179.1137 80 G 3.9424 7.7870 107.6245 47.1949 0.0000 175.7751 81 L 3.9615 7.8122 121.3472 57.4203 41.4612 179.7178 82 I 3.4659 7.6511 119.6923 64.1121 36.8983 178.2049 83 A 3.6929 7.6288 121.5516 54.9804 18.0822 179.7479 84 V 3.5432 7.8140 116.7102 66.2840 31.6626 178.3035 85 V 3.5737 7.7839 117.8549 66.1380 31.0858 177.9981 86 F 4.5148 8.2899 116.6512 60.6801 39.0748 177.3580 87 I 3.8530 8.1337 119.6605 64.4334 36.7059 178.3927 88 L 3.5251 7.7750 118.6667 57.5721 41.4435 178.3342 89 Y 4.4566 7.2819 113.3150 56.7618 38.3476 175.2371 90 D 4.1895 7.2970 120.2675 56.0537 41.6151 175.8089 91 Q 3.0946 8.3929 123.6613 56.4929 25.5723 173.4298 *93 T 4.2348 7.5533 111.5980 60.3780 71.5113 172.8723 94 P 4.1343 0.0000 0.0000 65.8196 31.3068 178.6676 95 Q 3.9542 8.0258 117.6792 59.2095 28.7201 177.7071 96 D 4.3969 8.0166 119.8270 57.7708 40.7159 179.0294 97 I 3.6692 7.5152 118.5233 64.2277 37.0186 178.4771 98 V 3.7856 7.5583 118.3070 65.8261 31.4795 176.9995 99 N 4.9101 7.8359 113.1397 52.0342 38.6348 174.3627 100 F 4.5011 7.4759 122.9033 57.1067 39.9549 174.6819 101 D 4.5007 7.9470 128.2989 53.0381 40.8863 176.8104 102 V 3.4003 8.0137 121.2486 63.3249 31.5491 178.3595 103 R 4.0076 7.7828 118.1456 59.3045 30.0071 176.9049 104 P 4.1600 0.0000 0.0000 65.2290 31.0491 178.8916 105 W 3.9123 7.8051 116.5801 59.8181 28.9607 178.2331 106 F 4.6824 8.2148 118.0303 60.3480 38.0162 177.4772 107 E 4.0417 8.2496 118.5472 59.0906 29.6125 180.5520 108 K 4.1428 7.6832 115.9670 56.1496 32.6227 177.1557 *110 A 4.1057 8.0163 119.5328 51.2999 19.5348 179.3573 111 L 3.6061 7.1088 122.0089 60.0849 42.5081 177.6269 112 T 4.2552 7.5275 105.6146 61.7215 69.3568 174.1688 113 Q 3.9790 7.5067 124.1361 57.7107 29.4924 175.6086 114 H 4.3169 9.0112 120.4279 56.3000 27.0519 174.5366 115 L 5.0099 7.3685 119.4532 52.5573 44.2366 176.3575 116 T 4.0942 8.2454 109.7266 61.1473 69.3655 173.3062 117 P 4.2476 0.0000 0.0000 66.1849 31.2900 179.0502 118 S 4.3566 7.9903 113.4526 60.6212 62.7142 176.5591 119 R 3.8719 7.9324 122.2832 59.3931 29.9067 179.1122 120 S 4.0140 7.6349 113.0861 61.1953 62.5319 176.5076 121 Q 4.0945 7.9223 121.8029 58.6806 28.3765 178.4325 122 G 3.5444 8.4169 106.3653 47.3946 0.0000 175.2361 123 L 3.9935 7.8392 122.1345 58.0386 42.4057 178.4137 124 E 4.1169 8.1827 118.9023 59.0579 29.4394 178.6849 125 A 3.8311 7.6476 116.6057 53.2723 18.0080 178.8927 *127 I 4.2378 7.6054 121.8627 62.6796 39.3382 178.2105 128 R 3.9381 8.0757 119.5718 59.1622 29.8272 178.3218 129 A 4.0136 8.0757 120.6872 55.2818 18.4049 179.7157 130 I 3.6642 7.7676 117.6675 64.7308 37.2424 178.7797 131 R 3.9192 8.4499 119.0143 58.9794 29.7942 178.9884 132 A 3.9717 8.1486 120.6022 55.2255 18.4670 179.7646 133 K 3.8620 7.9833 116.3987 59.4522 32.0598 179.3804 134 A 3.8798 8.3675 121.1430 55.1823 18.0927 179.4751 135 A 4.4430 8.2799 119.2102 54.6432 18.5562 179.2264 136 A 4.0976 7.9169 119.2049 55.6440 18.3692 180.0239 137 L 3.9895 7.9469 117.4746 57.6000 41.7146 179.4958 138 S 4.3034 8.4200 114.2268 60.2117 62.7387 176.0200 139 L 4.3960 7.5885 123.5310 56.5743 40.7962 176.2848 140 E 4.3889 7.5301 117.8810 54.5612 29.1468 175.1349 141 H 4.6278 8.3749 124.2571 55.7202 31.3464 176.9900 142 H 4.4240 7.9607 123.0106 55.9689 30.7460 172.9662 143 H 4.0396 9.0203 119.8811 57.9763 28.7352 175.6992 144 H 4.5450 8.5653 115.6157 55.7182 28.6976 175.9177 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 2 A 8.26 4.20 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 3 L 8.19 4.14 0.00 1.68 1.63 0.92 0.59 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 4 L 7.68 4.81 0.00 1.62 1.49 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.46 0.00 2.22 2.09 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 6 D 8.33 4.65 0.00 2.90 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 7 K 8.45 3.75 0.00 1.51 1.10 0.00 0.61 0.00 0.00 1.30 0.00 0.00 2.29 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.31 1.25 7.81 8 E 8.34 4.27 0.00 2.30 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 0.00 2.55 2.74 0.00 9 K 8.80 4.01 0.00 2.02 1.94 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.61 7.81 10 L 8.59 4.00 0.00 2.03 2.02 1.16 0.57 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 11 L 8.46 4.31 0.00 2.18 2.08 1.02 0.92 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 12 R 7.89 4.01 0.00 2.04 2.00 0.00 3.22 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.02 0.00 13 N 8.26 4.21 0.00 2.84 2.41 0.00 0.00 7.09 8.28 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 14 F 8.32 4.47 0.00 3.47 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.01 4.13 0.00 1.82 1.78 1.08 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.59 4.18 0.00 1.86 1.92 0.00 3.12 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 17 C 7.35 4.14 0.00 3.17 2.92 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 18 A 9.35 4.34 1.31 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 19 N 7.74 4.77 0.00 3.06 2.94 0.00 0.00 5.86 8.88 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 20 W 8.82 4.09 0.00 3.45 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 0.00 21 E 8.56 3.99 0.00 2.38 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 2.49 2.57 0.00 22 E 8.90 3.92 0.00 2.13 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 2.27 2.30 0.00 23 K 8.03 4.04 0.00 1.92 1.79 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.80 7.81 24 Y 7.62 3.78 0.00 1.56 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.28 4.02 0.00 1.76 1.74 1.05 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.93 4.24 0.00 3.02 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 27 I 7.65 3.51 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.08 0.79 0.00 0.00 28 I 7.35 3.53 1.87 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.54 0.87 0.00 0.00 29 E 8.12 3.89 0.00 2.02 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 2.31 2.37 0.00 30 L 8.01 4.04 0.00 1.59 1.50 0.37 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.81 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 7.90 4.16 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 33 R 7.29 4.32 0.00 1.91 1.95 0.00 3.12 0.00 0.00 3.38 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 34 L 7.26 4.31 0.00 1.88 1.61 0.97 0.59 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 35 P 0.00 4.45 0.00 2.07 1.99 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 36 E 8.48 4.11 0.00 1.94 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 2.31 2.26 0.00 37 L 8.19 4.14 0.00 1.52 1.49 0.86 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.46 3.75 0.00 1.86 1.85 0.00 3.23 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 39 D 8.54 4.54 0.00 2.63 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 40 E 8.41 3.62 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 41 D 8.37 4.46 0.00 2.64 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 42 R 7.40 3.82 0.00 1.20 1.42 0.00 2.83 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.50 0.00 43 S 7.84 4.98 0.00 3.95 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 44 P 0.00 4.43 0.00 2.09 2.18 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 45 Q 8.30 4.09 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.13 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 46 N 8.07 4.87 0.00 2.97 3.04 0.00 0.00 6.74 7.45 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 47 S 7.59 4.70 0.00 3.84 3.88 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 48 I 8.58 4.59 1.80 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 1.23 1.05 0.89 0.00 0.00 49 Q 8.71 4.42 0.00 1.84 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.05 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 50 G 9.05 3.88 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 0.00 0.00 0.00 51 C 7.84 4.53 0.00 2.87 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 52 Q 7.96 3.30 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 53 S 7.24 4.60 0.00 3.99 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 54 Q 7.68 3.84 0.00 1.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.90 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 55 V 7.66 4.75 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 0.99 0.00 0.00 0.84 0.00 0.00 56 W 9.43 5.41 0.00 3.35 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 57 I 9.19 5.35 2.02 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 1.53 0.73 1.16 0.00 0.00 58 V 8.93 4.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.97 0.00 0.00 *60 R 8.20 4.36 0.00 1.89 1.89 0.00 3.05 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 61 Q 8.33 4.85 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 62 N 8.54 4.66 0.00 2.99 2.95 0.00 0.00 6.43 6.96 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 63 A 8.48 4.12 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 64 Q 8.63 4.37 0.00 2.31 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.64 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 65 G 8.15 3.93 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 0.00 0.00 0.00 66 I 7.21 4.05 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.93 0.83 0.00 0.00 67 I 8.05 4.61 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.65 0.78 0.00 0.00 68 E 9.71 4.62 0.00 1.56 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 0.00 2.17 2.19 0.00 69 L 8.14 4.82 0.00 0.27 0.13 0.82 0.77 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 70 Q 8.63 4.81 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.50 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 71 G 8.64 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.71 4.76 0.00 2.84 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 73 S 8.60 5.25 0.00 3.85 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 74 D 9.33 4.66 0.00 2.91 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 75 A 8.10 4.61 1.26 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 0.00 0.00 76 A 8.92 3.96 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 77 I 7.62 3.45 1.85 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.90 0.88 0.00 0.00 78 V 7.67 3.55 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.96 0.00 0.00 79 K 8.35 3.99 0.00 1.93 1.87 0.00 1.80 0.00 0.00 1.63 0.00 0.00 3.15 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.42 7.81 80 G 7.79 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 81 L 7.81 3.96 0.00 1.82 1.62 0.83 0.65 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 82 I 7.65 3.47 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.72 0.03 0.00 0.00 83 A 7.63 3.69 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.81 3.54 2.28 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 1.30 0.00 0.00 1.11 0.00 0.00 85 V 7.78 3.57 2.28 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 1.22 0.00 0.00 1.11 0.00 0.00 86 F 8.29 4.51 0.00 3.12 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 87 I 8.13 3.85 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.93 0.91 0.00 0.00 88 L 7.78 3.53 0.00 1.22 1.11 0.61 0.61 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 89 Y 7.28 4.46 0.00 2.92 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 7.30 4.19 0.00 2.78 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.39 3.09 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.39 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 *93 T 7.55 4.23 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 1.18 0.00 0.00 94 P 0.00 4.13 0.00 2.15 2.24 0.00 3.58 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 2.20 2.10 0.00 95 Q 8.03 3.95 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.67 0.00 96 D 8.02 4.40 0.00 2.96 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 97 I 7.52 3.67 1.81 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.38 0.17 0.00 0.00 98 V 7.56 3.79 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 0.84 0.00 0.00 0.98 0.00 0.00 99 N 7.84 4.91 0.00 2.79 2.85 0.00 0.00 7.01 7.38 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 0.00 100 F 7.48 4.50 0.00 3.22 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 7.95 4.50 0.00 2.55 2.40 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 0.00 102 V 8.01 3.40 1.14 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 0.87 0.00 0.00 1.09 0.00 0.00 103 R 7.78 4.01 0.00 2.19 2.01 0.00 3.38 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 104 P 0.00 4.16 0.00 1.91 1.93 0.00 3.64 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 105 W 7.81 3.91 0.00 3.08 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 F 8.21 4.68 0.00 3.08 2.98 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 0.00 107 E 8.25 4.04 0.00 2.05 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 2.29 2.34 0.00 108 K 7.68 4.14 0.00 1.63 1.72 0.00 1.37 0.00 0.00 1.47 0.00 0.00 2.88 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.36 1.41 7.81 *110 A 8.02 4.11 1.31 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 0.00 111 L 7.11 3.61 0.00 1.56 1.54 0.50 0.88 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 0.00 112 T 7.53 4.26 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 1.04 0.00 0.00 113 Q 7.51 3.98 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.14 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 114 H 9.01 4.32 0.00 3.72 3.90 0.00 5.67 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.37 5.01 0.00 1.80 1.73 0.97 1.19 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 0.00 116 T 8.25 4.09 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 1.26 0.00 0.00 117 P 0.00 4.25 0.00 2.17 2.16 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 118 S 7.99 4.36 0.00 4.03 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 0.00 119 R 7.93 3.87 0.00 1.86 2.00 0.00 3.30 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.86 0.00 120 S 7.63 4.01 0.00 4.11 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 0.00 121 Q 7.92 4.09 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 122 G 8.42 3.54 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 0.00 0.00 0.00 123 L 7.84 3.99 0.00 1.59 1.69 0.61 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.18 4.12 0.00 2.30 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 2.32 2.41 0.00 125 A 7.65 3.83 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *127 I 7.61 4.24 2.13 0.00 0.00 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 1.65 0.89 1.11 0.00 0.00 128 R 8.08 3.94 0.00 1.94 1.96 0.00 3.12 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 129 A 8.08 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.77 3.66 2.14 0.00 0.00 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 1.75 0.74 0.72 0.00 0.00 131 R 8.45 3.92 0.00 1.87 2.01 0.00 3.31 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.98 0.00 132 A 8.15 3.97 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 0.00 133 K 7.98 3.86 0.00 1.97 1.85 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.58 7.81 134 A 8.37 3.88 1.26 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 0.00 0.00 135 A 8.28 4.44 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 0.00 136 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 0.00 137 L 7.95 3.99 0.00 1.85 1.71 0.89 1.02 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 0.00 138 S 8.42 4.30 0.00 4.01 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.59 4.40 0.00 1.78 1.84 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 140 E 7.53 4.39 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 141 H 8.37 4.63 0.00 3.09 3.27 0.00 5.93 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 0.00 142 H 7.96 4.42 0.00 3.03 2.89 0.00 5.78 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 H 9.02 4.04 0.00 3.00 2.79 0.00 5.77 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 0.00 144 H 8.57 4.55 0.00 3.25 3.23 0.00 5.81 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 * Residues marked with a * may have inaccurate shift predictions.