NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3829 8.2549 120.8589 56.1837 32.4564 173.6725 3 R 3.8410 8.9023 127.3049 56.5904 28.0860 177.8837 4 R 3.9189 9.3527 129.4189 56.6693 31.2182 176.1873 5 V 3.7527 8.2832 123.0733 63.2085 32.0174 175.1177 6 I 4.7344 7.9868 122.7962 59.6379 41.4606 174.3242 7 G 4.1784 8.1071 114.9603 45.4169 0.0000 176.3712 8 Q 4.3062 8.6271 128.3746 55.3897 29.6597 174.9752 9 R 4.3341 8.2681 116.2799 54.6046 31.0878 175.7748 10 K 3.5824 8.1008 115.0771 56.9271 29.1443 174.5882 11 I 4.0294 7.9023 122.9930 60.0235 37.9922 176.1924 12 L 3.9485 8.4650 124.7598 55.0490 41.8937 176.5382 13 P 4.3414 0.0000 0.0000 64.0164 29.2273 173.4695 14 D 4.3848 8.6351 117.1347 55.2825 39.0276 172.5091 15 P 4.1830 0.0000 0.0000 64.6754 32.1984 177.0455 16 K 4.5955 7.2577 113.9155 53.8907 31.9226 173.5888 17 F 4.3535 8.2691 124.7603 57.9692 45.9895 171.2682 18 G 3.7746 8.4371 113.1527 46.0459 0.0000 171.0102 19 S 5.5035 7.7311 127.1124 57.5233 63.8995 177.3616 20 E 4.9809 8.3176 125.5260 57.1476 30.3400 178.2895 21 L 4.4676 7.7948 119.5254 56.0174 43.2262 177.1774 22 L 4.1467 7.1315 114.4050 54.4502 42.0311 177.3165 23 A 4.6676 7.7177 119.4428 52.0012 19.0205 177.6744 24 K 4.2003 7.8570 117.6128 57.9099 32.6012 178.1876 25 F 4.4395 7.7392 118.3117 61.3450 39.3865 177.3930 26 V 3.2015 8.0930 111.5731 64.3485 31.0859 177.1265 27 N 4.7419 7.3457 113.1286 53.6722 38.6325 176.1489 28 I 4.1623 7.9736 121.5935 61.2188 38.0155 175.9447 29 L 4.2242 6.8795 118.2284 54.6601 42.2810 176.5907 30 M 4.3302 7.9398 117.7655 55.1760 30.6610 174.2756 31 V 4.1911 8.0030 124.2471 60.7569 34.0231 176.3540 32 D 4.2133 9.6259 123.6985 55.3218 37.9869 174.0567 33 G 4.1477 8.1234 111.9364 46.1171 0.0000 171.7820 34 K 3.9496 8.1378 121.0853 56.8697 30.7101 176.8068 35 K 4.4873 8.2775 122.7380 55.9680 32.9659 177.4683 36 S 4.3332 7.9440 113.1716 62.4425 63.8642 176.6157 37 T 3.7221 7.8560 117.6042 64.9877 68.5244 175.4046 38 A 4.5396 7.8741 123.2299 52.0178 18.9940 177.3313 39 E 4.6618 7.9865 119.0873 58.5228 31.8979 177.8135 40 S 4.5036 7.8391 110.2481 59.3967 62.3197 174.6347 41 I 4.5047 8.0192 122.5598 62.1017 39.7867 178.2835 42 V 3.7264 7.9207 119.6499 66.4907 31.5393 177.6037 43 Y 4.7306 8.0521 113.6180 58.3689 37.1301 176.3154 44 S 4.4985 7.9533 114.1356 59.3783 64.0704 175.3661 45 A 4.4185 9.8110 121.9511 53.3153 18.6196 177.9471 46 L 4.8039 8.1725 116.7351 54.6266 42.6866 176.2500 47 E 4.5228 8.2121 119.0867 57.4564 30.8433 177.2446 48 T 4.0482 7.5508 106.9698 64.1826 69.2214 175.2194 49 L 4.1521 7.5844 122.6577 56.8475 42.5282 178.1095 50 A 4.0129 8.1771 120.5049 55.2947 18.5279 178.5867 51 Q 4.1675 8.1935 114.5775 59.0174 29.0260 178.3820 52 R 3.9780 7.8952 116.2974 58.3457 30.6871 176.5847 53 S 4.6754 7.9345 114.2406 56.2704 65.4218 175.0661 54 G 3.9193 8.9026 112.9815 46.8633 0.0000 173.1970 55 K 4.4012 7.4959 118.8609 55.7035 31.1246 179.8474 56 S 4.2833 8.9899 110.5863 58.9372 63.1141 173.1466 57 E 4.4368 8.7101 121.4343 57.4808 30.6271 176.0236 58 L 4.4551 7.5361 118.2103 55.9398 41.0971 176.7896 59 E 4.6542 8.4350 116.3228 57.1465 29.4479 177.0975 60 A 4.2358 7.8908 122.2793 54.5966 20.1734 179.2190 61 F 4.5832 8.1921 116.2423 55.8700 37.2921 177.2614 62 E 3.9947 9.1092 131.3966 56.6892 27.8680 175.1989 63 V 4.8163 7.9975 120.4315 63.4755 33.9837 177.0493 64 A 4.3846 8.1243 120.3029 52.9974 18.4622 177.2496 65 L 4.4768 7.5134 117.6310 55.9374 43.8471 177.7348 66 E 4.2640 8.0942 116.1098 57.7105 29.5029 177.8274 67 N 4.5441 7.9766 116.0164 54.5016 39.2826 175.9695 68 V 4.3056 7.7271 111.6155 61.2470 32.1251 175.8047 69 R 4.8984 7.7863 121.1864 53.8365 29.2322 173.9865 70 P 4.6704 0.0000 0.0000 62.0993 29.9601 176.3015 71 T 4.0783 8.4608 121.9940 65.1932 68.0904 172.7540 72 V 4.8558 7.6833 118.8379 61.1316 33.9940 174.7112 73 E 5.0837 8.8285 125.2152 55.4921 33.0590 174.3348 74 V 5.4900 8.2700 111.0548 60.2251 35.8355 174.3441 75 K 4.6470 8.6439 125.3525 54.5637 36.0555 175.1907 76 S 4.8217 8.7030 122.3308 58.0117 63.2585 174.0806 77 R 4.1718 8.6485 125.9208 55.2593 30.4896 177.3990 78 R 4.5762 8.5512 125.8906 54.7552 29.6749 175.2806 79 V 3.9161 7.9986 124.2405 62.4878 32.9679 175.3737 80 G 3.6576 8.3575 118.9692 46.2296 0.0000 174.0872 81 G 3.9732 8.1650 106.1652 45.5965 0.0000 173.9630 82 S 4.8454 7.6031 115.9863 57.3914 65.2605 174.5599 83 T 4.4728 8.1198 109.7286 63.0865 68.9324 175.9109 84 Y 3.6938 7.4241 117.8296 56.5371 33.6309 172.6081 85 Q 4.4412 8.3835 122.6217 55.6921 29.7274 175.6861 86 V 4.1955 8.6533 125.7762 60.7443 33.1358 173.1938 87 P 4.7601 0.0000 0.0000 62.7941 31.7514 176.1343 88 V 4.4390 8.6464 124.9921 59.2423 34.5890 174.6851 89 E 4.1076 8.6335 125.0199 56.2790 30.1005 176.2448 90 V 3.8972 8.5451 128.9750 62.1296 32.0287 176.2360 91 R 4.0743 8.6996 127.4903 55.8160 31.0308 175.7603 92 P 4.2420 0.0000 0.0000 66.1954 31.1404 179.1471 93 V 3.6517 7.8607 114.3781 65.5045 31.5837 176.9461 94 R 4.2406 8.0339 117.6090 57.9576 28.7888 178.0535 95 R 4.0022 7.8694 118.2346 59.4201 29.8403 178.1471 96 N 4.6933 8.0751 113.7215 55.4537 39.2021 175.3509 97 A 4.1190 8.0881 125.1822 53.8373 18.9972 178.4757 98 L 3.7525 7.6776 116.9013 56.3588 40.6527 179.1896 99 A 4.6140 7.2344 123.8458 55.2849 18.3856 179.4778 100 M 4.1267 8.2022 116.7503 58.7715 32.1434 178.8428 101 R 3.9762 8.1542 118.2392 59.7282 29.9311 177.9133 102 W 4.5332 8.2811 119.0310 59.6800 28.8787 178.2536 103 I 3.8402 7.7556 113.2491 64.2182 37.1859 178.0606 104 V 3.8702 8.5949 120.0379 65.6270 31.2887 177.7256 105 E 3.9848 8.7944 118.5259 59.0205 29.9944 178.0807 106 A 4.2151 8.8345 119.8232 53.7269 18.2255 179.2574 107 A 3.9865 7.8701 119.5028 55.0290 17.9073 178.8195 108 R 3.9125 8.0005 117.2589 59.3845 30.8896 176.8852 109 K 4.5916 7.4786 118.5439 56.3662 29.8157 175.0025 110 R 4.5478 7.7720 120.4990 58.2519 35.3777 178.1735 111 G 4.2532 7.6144 105.4063 45.9457 0.0000 174.2986 112 D 4.9016 7.9930 127.3123 54.2793 39.2746 176.2037 113 K 4.5007 7.9103 119.6690 58.8357 35.5611 177.6545 114 S 4.5283 7.5399 113.3837 58.3392 64.6259 175.7623 115 M 4.0254 8.6312 120.1299 58.7571 31.5895 179.0268 116 A 4.1857 8.0137 120.0461 54.5998 18.3453 179.2607 117 L 3.9714 7.7271 118.8481 58.3653 42.0663 178.6557 118 R 4.1830 7.9299 119.3816 58.6416 29.9820 178.6527 119 L 4.1539 8.6820 119.6166 57.5518 42.0028 178.3312 120 A 4.0676 7.8229 119.7388 54.1541 18.1323 178.8859 121 N 4.3978 7.7390 114.2214 55.3331 38.8011 177.0468 122 E 4.0291 7.7320 119.6590 59.1762 29.6536 178.2900 123 L 3.8896 8.0761 118.0163 58.7797 41.8190 179.7422 124 S 3.9830 7.3407 112.7474 61.5443 62.6648 174.7858 125 D 4.9282 7.6677 122.9725 54.4151 39.7850 175.6791 126 A 4.3824 8.4671 123.9770 52.7762 22.2243 176.5859 127 A 4.5757 7.9873 115.5987 52.2184 20.5367 177.1949 128 E 4.2756 7.6555 111.2874 55.4279 31.9266 173.2506 129 N 4.0662 8.3764 118.9513 53.2731 37.0312 174.1445 130 K 4.4873 8.5138 117.9655 56.9261 34.9526 176.4480 131 G 3.7980 7.8306 109.7675 45.6682 0.0000 175.1315 132 T 3.8227 8.4762 116.1405 66.0214 68.3388 175.9285 133 A 4.0331 7.8233 124.0816 55.2970 18.2696 179.2528 134 V 3.4559 7.9440 114.6106 64.2839 31.6611 178.3744 135 K 3.8611 7.8000 118.0204 59.5653 32.0442 178.1974 136 K 3.9215 7.8190 119.2142 58.9807 31.7883 179.0916 137 R 2.8118 6.8996 118.6327 59.0339 29.8861 178.0177 138 E 3.9704 7.7136 113.9271 57.0977 29.3628 177.6385 139 D 4.2370 8.1813 120.3145 54.9362 40.6394 178.0818 140 V 3.5620 6.2399 118.8520 66.6583 32.6341 177.8083 141 H 3.9939 8.5765 116.2700 59.0333 28.6183 177.1778 142 R 3.8165 8.0843 118.2004 59.7287 29.7880 177.1810 143 M 4.0154 7.9042 116.8473 58.1184 32.4401 176.5237 144 A 4.3719 7.5247 120.5194 51.8570 20.0881 177.1183 145 E 4.0207 8.8366 123.4398 57.3775 29.5576 174.8010 146 A 4.5322 7.7838 118.2038 51.9469 18.8434 176.7957 147 N 4.9461 7.6679 114.5038 54.7220 42.6906 176.1027 148 K 4.5110 8.0056 118.3643 56.5201 31.6402 177.5865 149 A 4.0474 7.8589 122.3009 53.7439 18.8718 179.4330 150 F 4.7827 8.3770 113.8546 58.7741 40.7245 177.0292 151 A 3.6597 8.0322 121.9099 52.8315 15.4331 177.7346 152 H 4.7282 7.6826 108.8789 55.1791 30.0892 173.9253 153 Y 3.4785 7.4709 117.9037 59.9524 35.9832 170.6202 *154 R 4.1415 7.8634 122.9518 56.4024 30.2085 180.2009 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 R 8.25 4.38 0.00 1.78 1.93 0.00 3.19 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 3 R 8.90 3.84 0.00 1.92 1.43 0.00 3.42 0.00 0.00 3.22 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 4 R 9.35 3.92 0.00 1.80 1.91 0.00 3.23 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 5 V 8.28 3.75 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.93 0.00 0.00 6 I 7.99 4.73 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.78 0.91 0.00 0.00 7 G 8.11 4.18 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 0.00 8 Q 8.63 4.31 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 9 R 8.27 4.33 0.00 1.80 1.90 0.00 3.40 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 10 K 8.10 3.58 0.00 1.83 1.83 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.63 7.81 11 I 7.90 4.03 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.34 0.93 0.00 0.00 12 L 8.46 3.95 0.00 1.62 1.63 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.34 0.00 2.29 2.23 0.00 3.86 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 14 D 8.64 4.38 0.00 2.95 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 15 P 0.00 4.18 0.00 2.30 2.20 0.00 3.85 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 2.19 2.21 0.00 16 K 7.26 4.60 0.00 1.30 0.82 0.00 1.58 0.00 0.00 1.44 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.10 1.07 7.81 17 F 8.27 4.35 0.00 3.33 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.44 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 19 S 7.73 5.50 0.00 4.09 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 20 E 8.32 4.98 0.00 1.96 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 2.48 2.40 0.00 21 L 7.79 4.47 0.00 1.40 1.54 0.79 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.13 4.15 0.00 1.80 1.33 0.54 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.72 4.67 1.35 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 0.00 0.00 0.00 24 K 7.86 4.20 0.00 1.99 1.85 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.49 7.81 25 F 7.74 4.44 0.00 3.47 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.09 3.20 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 1.20 0.00 0.00 0.98 0.00 0.00 27 N 7.35 4.74 0.00 2.79 2.81 0.00 0.00 6.96 7.33 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 28 I 7.97 4.16 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.49 0.81 0.00 0.00 29 L 6.88 4.22 0.00 1.60 1.58 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 30 M 7.94 4.33 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 31 V 8.00 4.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.92 0.00 0.00 32 D 9.63 4.21 0.00 2.91 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 33 G 8.12 4.15 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 0.00 0.00 0.00 34 K 8.14 3.95 0.00 2.07 1.81 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.39 7.81 35 K 8.28 4.49 0.00 1.69 1.79 0.00 2.03 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.41 7.81 36 S 7.94 4.33 0.00 4.05 4.10 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 0.00 0.00 0.00 0.00 37 T 7.86 3.72 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 1.23 0.00 0.00 38 A 7.87 4.54 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 39 E 7.99 4.66 0.00 2.17 1.97 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 2.53 2.67 0.00 40 S 7.84 4.50 0.00 3.96 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 41 I 8.02 4.50 1.94 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 1.27 0.97 0.00 0.00 42 V 7.92 3.73 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 1.24 0.00 0.00 1.18 0.00 0.00 43 Y 8.05 4.73 0.00 3.07 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 44 S 7.95 4.50 0.00 3.96 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 45 A 9.81 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.17 4.80 0.00 1.74 1.60 0.92 0.74 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 47 E 8.21 4.52 0.00 2.25 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 2.26 2.34 0.00 48 T 7.55 4.05 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 1.24 0.00 0.00 49 L 7.58 4.15 0.00 1.80 1.75 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.18 4.01 1.53 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 51 Q 8.19 4.17 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.74 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 52 R 7.90 3.98 0.00 1.83 2.03 0.00 3.10 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 53 S 7.93 4.68 0.00 3.82 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.90 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 55 K 7.50 4.40 0.00 1.73 0.85 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.44 7.81 56 S 8.99 4.28 0.00 4.05 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 57 E 8.71 4.44 0.00 2.04 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 2.52 2.42 0.00 58 L 7.54 4.46 0.00 1.50 1.27 0.57 0.29 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 59 E 8.43 4.65 0.00 2.02 1.97 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 2.29 2.50 0.00 60 A 7.89 4.24 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 F 8.19 4.58 0.00 2.95 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 0.00 0.00 0.00 62 E 9.11 3.99 0.00 2.20 1.85 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 2.28 2.46 0.00 63 V 8.00 4.82 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 1.12 0.00 0.00 0.93 0.00 0.00 64 A 8.12 4.38 1.33 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 65 L 7.51 4.48 0.00 1.73 1.68 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.09 4.26 0.00 2.12 1.97 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 2.41 2.41 0.00 67 N 7.98 4.54 0.00 2.66 2.81 0.00 0.00 6.88 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 68 V 7.73 4.31 2.25 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 0.89 0.00 0.00 1.08 0.00 0.00 69 R 7.79 4.90 0.00 1.83 1.95 0.00 3.25 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 70 P 0.00 4.67 0.00 2.42 2.41 0.00 4.24 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.87 0.00 71 T 8.46 4.08 4.29 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 1.28 0.00 0.00 72 V 7.68 4.86 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 0.96 0.00 0.00 0.94 0.00 0.00 73 E 8.83 5.08 0.00 2.08 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 2.18 2.26 0.00 74 V 8.27 5.49 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 0.69 0.00 0.00 0.98 0.00 0.00 75 K 8.64 4.65 0.00 1.76 1.60 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.38 7.81 76 S 8.70 4.82 0.00 3.81 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 77 R 8.65 4.17 0.00 1.94 1.80 0.00 3.06 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 78 R 8.55 4.58 0.00 1.81 1.84 0.00 3.27 0.00 0.00 2.93 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.40 0.00 79 V 8.00 3.92 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 0.00 0.00 0.44 0.00 0.00 0.63 0.00 0.00 80 G 8.36 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.16 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 0.00 0.00 0.00 0.00 82 S 7.60 4.85 0.00 4.16 3.95 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 83 T 8.12 4.47 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 1.25 0.00 0.00 84 Y 7.42 3.69 0.00 3.21 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 85 Q 8.38 4.44 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 86 V 8.65 4.20 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 1.00 0.00 0.00 1.05 0.00 0.00 87 P 0.00 4.76 0.00 2.11 2.03 0.00 4.00 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 88 V 8.65 4.44 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 0.71 0.00 0.00 0.93 0.00 0.00 89 E 8.63 4.11 0.00 1.83 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 2.26 2.33 0.00 90 V 8.55 3.90 2.43 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 0.82 0.00 0.00 1.03 0.00 0.00 91 R 8.70 4.07 0.00 1.91 1.84 0.00 3.21 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 92 P 0.00 4.24 0.00 2.16 2.14 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 93 V 7.86 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 0.83 0.00 0.00 0.93 0.00 0.00 94 R 8.03 4.24 0.00 1.91 2.03 0.00 3.13 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 95 R 7.87 4.00 0.00 2.19 2.05 0.00 3.20 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.90 0.00 96 N 8.08 4.69 0.00 2.72 2.93 0.00 0.00 6.87 7.35 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 97 A 8.09 4.12 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 98 L 7.68 3.75 0.00 0.49 1.29 0.56 -0.03 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 99 A 7.23 4.61 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.20 4.13 0.00 2.53 2.33 0.00 0.00 0.00 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.09 2.77 0.00 101 R 8.15 3.98 0.00 1.78 1.73 0.00 2.97 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 102 W 8.28 4.53 0.00 3.86 3.02 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 0.00 103 I 7.76 3.84 1.86 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.76 0.91 0.00 0.00 104 V 8.59 3.87 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 1.00 0.00 0.00 1.29 0.00 0.00 105 E 8.79 3.98 0.00 2.24 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 2.33 0.00 106 A 8.83 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.87 3.99 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 0.00 108 R 8.00 3.91 0.00 1.87 1.95 0.00 3.19 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 109 K 7.48 4.59 0.00 1.81 1.82 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.58 7.81 110 R 7.77 4.55 0.00 1.78 1.87 0.00 3.28 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.83 0.00 111 G 7.61 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 0.00 0.00 0.00 0.00 112 D 7.99 4.90 0.00 2.76 2.41 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 0.00 113 K 7.91 4.50 0.00 1.70 1.68 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.36 7.81 114 S 7.54 4.53 0.00 3.90 3.95 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 0.00 115 M 8.63 4.03 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.56 0.00 116 A 8.01 4.19 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 0.00 117 L 7.73 3.97 0.00 1.74 1.82 0.96 1.00 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 0.00 118 R 7.93 4.18 0.00 2.11 2.01 0.00 3.19 0.00 0.00 3.20 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 119 L 8.68 4.15 0.00 1.96 1.69 0.99 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 120 A 7.82 4.07 1.48 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 0.00 0.00 121 N 7.74 4.40 0.00 2.75 2.88 0.00 0.00 6.92 8.99 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 0.00 122 E 7.73 4.03 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 123 L 8.08 3.89 0.00 1.62 1.64 0.80 0.59 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 0.00 124 S 7.34 3.98 0.00 4.03 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 0.00 125 D 7.67 4.93 0.00 2.67 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 0.00 126 A 8.47 4.38 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 0.00 127 A 7.99 4.58 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 0.00 128 E 7.66 4.28 0.00 2.04 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 0.00 2.21 2.21 0.00 129 N 8.38 4.07 0.00 2.79 2.81 0.00 0.00 6.67 7.61 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 0.00 130 K 8.51 4.49 0.00 1.77 1.78 0.00 1.55 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.41 7.81 131 G 7.83 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 T 8.48 3.82 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 0.00 133 A 7.82 4.03 1.33 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 0.00 134 V 7.94 3.46 1.97 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 0.84 0.00 0.00 0.85 0.00 0.00 135 K 7.80 3.86 0.00 1.72 1.75 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.48 7.81 136 K 7.82 3.92 0.00 1.33 0.74 0.00 2.27 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.64 7.81 137 R 6.90 2.81 0.00 1.36 1.69 0.00 3.17 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.83 0.00 138 E 7.71 3.97 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 2.22 2.16 0.00 139 D 8.18 4.24 0.00 2.82 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 6.24 3.56 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 0.99 0.00 0.00 1.16 0.00 0.00 141 H 8.58 3.99 0.00 3.25 3.35 0.00 5.90 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 R 8.08 3.82 0.00 1.74 2.14 0.00 3.26 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 143 M 7.90 4.02 0.00 1.99 2.22 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.56 0.00 144 A 7.52 4.37 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 0.00 145 E 8.84 4.02 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 2.17 2.33 0.00 146 A 7.78 4.53 1.33 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 0.00 147 N 7.67 4.95 0.00 3.02 2.76 0.00 0.00 6.75 6.75 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 0.00 148 K 8.01 4.51 0.00 1.78 1.74 0.00 1.96 0.00 0.00 1.65 0.00 0.00 2.73 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.35 7.81 149 A 7.86 4.05 0.97 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 0.00 0.00 150 F 8.38 4.78 0.00 3.13 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 0.00 151 A 8.03 3.66 1.01 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 0.00 0.00 152 H 7.68 4.73 0.00 3.22 3.64 0.00 5.68 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Y 7.47 3.48 0.00 3.22 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 *154 R 7.86 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.