NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7298 8.2833 118.1806 52.5173 38.6228 174.4609 2 L 4.3853 8.0787 116.3345 55.2652 41.3707 178.3943 3 F 4.6583 8.7013 121.0958 60.7039 39.4896 177.1913 4 Q 4.1028 8.0111 117.5510 58.1592 28.5679 178.3334 5 F 4.4730 8.2556 121.4401 61.4463 39.6251 176.9162 6 A 3.4789 7.6124 120.3622 54.7750 17.9897 179.7087 7 R 3.8383 7.5097 116.5591 58.7788 29.9643 179.1693 8 L 3.8212 7.7635 118.6654 57.8793 41.9094 178.8349 9 I 3.6992 8.0913 119.9426 64.6744 36.9779 177.9418 10 D 4.0221 8.5463 120.6562 56.7232 40.4993 179.1583 11 A 3.6390 7.4503 119.7782 53.8078 18.2692 178.6717 12 K 4.7298 8.1573 115.7126 55.3178 32.6131 176.8542 13 Q 4.2502 8.5126 117.6205 56.2130 32.4441 175.0334 14 E 3.5078 7.9313 125.9312 56.5650 30.6075 177.1168 *16 A 4.2734 8.0292 131.3386 53.8082 19.3863 177.5233 17 F 3.1468 7.8729 115.3246 57.9575 37.2921 177.2187 18 S 4.1948 7.8307 114.1974 59.4119 62.6534 174.6857 19 F 4.7099 7.6690 115.2411 57.2138 38.1508 177.5584 20 F 4.0971 7.5595 120.9381 59.8156 38.7378 175.9410 21 K 4.4000 7.3518 118.5074 56.7361 32.3505 176.3833 22 Y 4.9790 7.3008 113.6520 57.7370 39.9555 176.2326 23 I 4.0924 8.0149 122.3756 64.5777 37.5397 175.6242 24 S 5.0823 7.7983 115.2688 57.5715 62.8578 170.3788 25 Y 5.0226 8.8111 125.6339 56.2153 41.7912 175.8419 26 G 3.8462 8.1314 116.5765 45.6380 0.0000 172.4083 27 C 4.5756 8.9631 114.8554 58.2387 41.0320 174.7724 28 Y 4.4871 8.4067 113.9113 59.0079 40.7723 175.7140 29 C 4.6124 8.5838 115.9847 58.5510 42.2940 173.9195 30 G 4.5580 8.8081 112.2646 46.1600 0.0000 177.3055 31 W 4.5249 9.6260 123.5118 55.3025 28.7716 175.6578 32 G 4.0244 7.9735 119.6120 43.9281 0.0000 171.8799 33 G 3.8790 10.1492 109.2808 45.1667 0.0000 172.4810 34 Q 4.3384 6.8605 119.1635 55.2758 33.3089 174.7510 35 G 4.1045 8.9712 110.1642 45.2599 0.0000 172.4675 36 T 4.8485 8.1202 119.4082 60.5934 70.9370 171.5586 37 P 4.6025 0.0000 0.0000 62.8803 31.3368 177.1351 38 K 4.0071 9.3050 125.1673 59.3478 32.2436 177.0597 39 D 4.4595 8.0285 117.1297 51.8910 43.5539 177.2443 40 A 3.9438 7.9051 120.7099 55.6193 18.6141 179.5689 41 T 3.9802 8.2288 113.6387 66.8145 68.6206 175.8437 42 D 4.6944 9.1681 120.2165 57.9867 41.1494 178.6350 43 R 4.1801 8.7724 118.3416 59.9620 30.2557 178.1336 44 C 3.7047 8.1411 115.7969 60.3482 41.2635 176.1875 45 C 4.3719 8.2364 117.6540 60.2773 34.8149 175.3016 46 F 3.6390 8.9065 123.0067 61.9578 38.5262 177.4439 47 V 3.1818 8.0193 117.4575 65.8548 31.6184 177.3570 48 H 3.9306 7.7839 117.7580 59.3893 29.6629 176.5387 49 D 4.1543 7.9654 120.3945 57.8009 40.5285 178.2554 50 C 4.0407 7.4242 115.8979 59.9679 40.2051 175.3702 51 C 4.2196 7.5125 119.5607 59.4485 43.6504 174.7290 52 Y 4.4088 7.6300 118.1219 61.2285 37.3650 178.4413 53 A 4.0961 8.0286 119.2303 54.0156 18.7251 177.6352 54 R 4.5735 7.7782 116.3090 55.8677 30.9166 176.2222 55 V 4.3233 7.7424 116.8170 60.9275 34.0573 174.2704 56 K 4.4114 8.4911 126.7343 55.0935 35.0510 174.9591 *58 G 4.2518 8.9922 110.4159 45.0195 0.0000 174.6142 59 C 3.9846 9.1866 119.9583 55.3480 42.3472 172.4252 *61 N 5.1641 8.2794 116.0423 53.2993 39.3503 172.6199 *68 P 3.9765 0.0000 0.0000 62.1139 33.0041 177.5472 69 K 4.1117 7.2635 114.9272 57.2633 32.7718 177.7388 70 L 4.0854 7.8043 117.9010 57.6652 41.9403 177.9871 71 V 3.5331 7.6544 111.4307 61.7920 31.6719 176.2162 72 E 4.5709 8.6842 125.8585 53.7762 28.3809 174.8004 73 Y 4.5604 7.6931 123.4729 56.1559 39.6393 175.2517 74 S 5.1218 8.7970 114.5359 56.8056 65.7047 172.6831 75 Y 5.1627 8.4512 120.9730 55.8346 41.8341 175.6405 76 S 4.2981 8.7106 112.7352 57.5815 64.6400 171.5648 77 Y 4.6515 8.8181 126.2732 57.7255 38.9766 174.5986 78 R 4.4456 9.2552 127.8203 56.0270 32.7927 177.2424 79 T 3.5164 9.0692 110.6078 62.8635 67.8343 173.1359 80 G 3.7927 8.7859 110.1857 45.8289 0.0000 173.3848 81 K 4.4123 8.0592 121.3215 54.4186 35.9608 175.5359 82 I 4.4706 8.5800 128.2836 60.8429 37.3357 176.1819 83 V 3.8556 8.5856 129.3830 62.2839 31.5702 174.2626 84 C 4.8059 8.7569 125.6024 56.6608 40.0631 173.2898 85 G 4.2176 7.8515 109.7585 43.8823 0.0000 171.9691 86 G 3.9355 8.5202 111.4099 45.5485 0.0000 169.6295 *88 D 4.4738 7.8276 117.3738 53.0549 40.4673 174.4758 89 D 4.5098 8.5522 117.7763 54.4301 41.4350 175.7482 90 P 4.1785 0.0000 0.0000 66.9056 31.9755 180.5392 91 C 3.8208 7.7413 116.9026 59.1805 42.7441 176.0797 92 L 4.0151 7.8901 120.3185 57.8273 41.4125 178.9214 93 R 3.7722 7.7348 117.9412 59.6516 29.7742 178.3076 94 A 4.0285 9.4944 120.2495 54.6419 18.3794 179.8481 95 V 3.9117 7.5632 116.6189 66.4916 31.5600 177.2688 96 C 2.7832 8.3237 117.4523 59.2475 40.0657 175.5832 97 E 3.9659 7.7452 119.7554 59.6326 28.9797 178.1026 98 C 3.9500 8.8127 117.5975 60.2699 38.5135 175.7512 99 D 4.2239 8.5943 119.1267 55.4793 40.2086 178.6157 100 R 4.1057 8.1575 120.1732 58.9785 30.2014 178.4218 101 V 3.6358 7.6225 117.3272 65.6807 31.3966 177.6944 102 A 3.8038 7.5091 118.3496 54.5805 18.4231 179.3768 103 A 4.2072 7.5348 116.4422 55.6277 18.1510 179.7375 104 I 3.7763 7.3753 117.3234 64.8870 37.0863 177.8009 105 C 4.2308 7.9292 119.1012 59.2989 43.0657 175.6047 106 F 4.5213 8.1498 119.1536 60.2139 38.8386 177.5173 107 R 4.1121 8.0945 116.8580 60.0680 30.1280 177.4832 108 E 4.2027 8.1320 118.3204 58.8736 29.3916 178.0254 109 N 4.6776 8.1042 111.7819 54.7137 38.5926 176.8329 110 M 4.2547 8.3708 122.8805 58.3148 32.4498 177.1190 111 N 4.9428 8.2070 114.0465 53.5371 38.8158 175.2086 112 T 4.4662 8.0430 107.9168 61.2078 69.8517 173.7398 113 Y 4.0858 7.4460 122.6750 58.1836 37.3400 174.5579 114 D 4.4952 8.2837 124.1376 52.9550 40.0912 177.0628 115 K 4.4166 8.4729 126.2222 59.2148 32.4904 178.1534 116 K 4.2321 8.5360 117.5372 57.4480 32.0431 176.5022 117 Y 4.1756 7.5745 115.0416 58.4332 38.6250 175.7141 118 M 4.3606 7.6207 118.7642 56.6234 33.1302 177.1983 119 L 4.0429 8.4992 118.7019 56.5808 38.7802 175.0956 120 Y 4.3929 7.4801 123.0436 57.1123 40.1009 174.5471 121 S 4.4251 7.4171 119.4571 57.4636 63.4866 173.9691 122 I 3.9025 7.9437 115.1489 62.2576 37.9888 177.2427 *124 F 4.6495 7.8619 121.7509 57.7926 40.7464 174.6760 125 D 4.7528 7.7689 118.1912 54.0673 41.4283 178.0965 126 C 4.9531 7.5453 115.3443 56.2216 41.8245 174.0761 127 K 4.3778 7.5167 114.9798 56.0572 33.8908 177.2275 128 E 4.0849 7.8178 119.6442 55.7995 30.0885 175.6014 129 E 3.8802 8.7676 120.9946 57.0292 29.8229 176.7290 130 S 4.3402 8.7578 121.0532 58.6335 63.7667 173.8631 131 D 4.5253 8.9528 124.4589 53.9208 41.3321 175.9465 132 Q 4.2033 8.7859 125.2906 56.2293 29.2668 177.2951 133 C 4.3820 9.1725 119.6681 57.6895 41.3023 173.7337 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 1 N 8.28 4.73 0.00 2.75 3.07 0.00 0.00 6.15 5.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.08 4.39 0.00 1.82 1.89 1.06 0.99 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 3 F 8.70 4.66 0.00 3.02 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 4 Q 8.01 4.10 0.00 1.91 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.36 0.00 5 F 8.26 4.47 0.00 3.12 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.61 3.48 0.07 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 7 R 7.51 3.84 0.00 1.72 1.95 0.00 3.09 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.80 0.00 8 L 7.76 3.82 0.00 1.74 1.68 0.97 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.09 3.70 1.79 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.55 0.86 0.00 0.00 10 D 8.55 4.02 0.00 2.64 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.45 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.16 4.73 0.00 1.82 1.88 0.00 1.84 0.00 0.00 1.83 0.00 0.00 3.21 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.65 7.81 13 Q 8.51 4.25 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 5.73 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 14 E 7.93 3.51 0.00 2.11 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 2.30 2.25 0.00 *16 A 8.03 4.27 0.61 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 0.00 0.00 17 F 7.87 3.15 0.00 3.07 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 0.00 0.00 0.00 18 S 7.83 4.19 0.00 3.81 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 19 F 7.67 4.71 0.00 3.27 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 7.56 4.10 0.00 2.85 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 21 K 7.35 4.40 0.00 1.52 1.59 0.00 0.61 0.00 0.00 1.08 0.00 0.00 2.68 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.88 0.21 7.81 22 Y 7.30 4.98 0.00 2.96 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 23 I 8.01 4.09 1.95 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 1.44 0.90 1.04 0.00 0.00 24 S 7.80 5.08 0.00 3.98 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 25 Y 8.81 5.02 0.00 3.19 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 26 G 8.13 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 C 8.96 4.58 0.00 3.40 3.16 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 28 Y 8.41 4.49 0.00 3.11 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.58 4.61 0.00 3.70 3.62 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 30 G 8.81 4.56 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 0.00 0.00 0.00 31 W 9.63 4.52 0.00 3.38 3.37 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 32 G 7.97 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 0.00 0.00 0.00 33 G 10.15 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 34 Q 6.86 4.34 0.00 1.83 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.34 0.00 0.00 0.00 0.00 0.00 2.44 2.26 0.00 35 G 8.97 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 0.00 0.00 0.00 36 T 8.12 4.85 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 1.15 0.00 0.00 37 P 0.00 4.60 0.00 1.98 2.00 0.00 3.40 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.30 0.00 38 K 9.31 4.01 0.00 1.42 1.40 0.00 1.40 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.18 0.38 7.81 39 D 8.03 4.46 0.00 3.17 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 40 A 7.91 3.94 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 41 T 8.23 3.98 4.58 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 1.45 0.00 0.00 42 D 9.17 4.69 0.00 3.28 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 43 R 8.77 4.18 0.00 2.04 1.99 0.00 3.36 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 44 C 8.14 3.70 0.00 2.67 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 0.00 0.00 0.00 45 C 8.24 4.37 0.00 3.48 3.41 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 46 F 8.91 3.64 0.00 2.38 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.02 3.18 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 0.74 0.00 0.00 1.10 0.00 0.00 48 H 7.78 3.93 0.00 3.23 3.32 0.00 5.65 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 49 D 7.97 4.15 0.00 2.74 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 50 C 7.42 4.04 0.00 2.68 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 51 C 7.51 4.22 0.00 2.88 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 52 Y 7.63 4.41 0.00 3.09 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 53 A 8.03 4.10 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.78 4.57 0.00 1.87 1.88 0.00 3.05 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 55 V 7.74 4.32 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 0.86 0.00 0.00 0.96 0.00 0.00 56 K 8.49 4.41 0.00 1.84 1.70 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.41 7.81 *58 G 8.99 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 59 C 9.19 3.98 0.00 3.10 3.28 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 *61 N 8.28 5.16 0.00 2.70 2.70 0.00 0.00 7.66 7.71 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 *68 P 0.00 3.98 0.00 1.13 0.49 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 69 K 7.26 4.11 0.00 1.59 1.69 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.31 7.81 70 L 7.80 4.09 0.00 1.61 1.65 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.65 3.53 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 0.70 0.00 0.00 1.03 0.00 0.00 72 E 8.68 4.57 0.00 1.89 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 2.20 0.00 73 Y 7.69 4.56 0.00 3.06 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 74 S 8.80 5.12 0.00 3.94 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 8.45 5.16 0.00 3.07 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 76 S 8.71 4.30 0.00 3.81 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 77 Y 8.82 4.65 0.00 3.20 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 78 R 9.26 4.45 0.00 1.71 1.70 0.00 3.21 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 79 T 9.07 3.52 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 1.17 0.00 0.00 80 G 8.79 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.06 4.41 0.00 1.60 1.46 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.38 7.81 82 I 8.58 4.47 1.99 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 1.63 1.14 1.01 0.00 0.00 83 V 8.59 3.86 2.30 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 0.95 0.00 0.00 1.00 0.00 0.00 84 C 8.76 4.81 0.00 2.93 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 85 G 7.85 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 0.00 0.00 0.00 0.00 86 G 8.52 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 *88 D 7.83 4.47 0.00 2.84 2.80 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 89 D 8.55 4.51 0.00 2.73 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 90 P 0.00 4.18 0.00 2.17 2.08 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 91 C 7.74 3.82 0.00 3.04 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 92 L 7.89 4.02 0.00 1.78 1.81 1.05 0.89 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 93 R 7.73 3.77 0.00 1.96 1.99 0.00 3.07 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.65 0.00 94 A 9.49 4.03 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 95 V 7.56 3.91 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.98 0.00 0.00 96 C 8.32 2.78 0.00 1.98 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 97 E 7.75 3.97 0.00 2.11 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 2.27 2.33 0.00 98 C 8.81 3.95 0.00 2.86 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 8.59 4.22 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 0.00 100 R 8.16 4.11 0.00 1.78 2.02 0.00 3.28 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 101 V 7.62 3.64 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 0.92 0.00 0.00 0.88 0.00 0.00 102 A 7.51 3.80 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 0.00 103 A 7.53 4.21 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.38 3.78 1.85 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 1.42 0.90 0.92 0.00 0.00 105 C 7.93 4.23 0.00 2.89 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 0.00 106 F 8.15 4.52 0.00 3.11 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 0.00 107 R 8.09 4.11 0.00 1.95 2.02 0.00 3.38 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 1.65 1.84 0.00 108 E 8.13 4.20 0.00 2.07 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 2.66 2.50 0.00 109 N 8.10 4.68 0.00 2.99 2.93 0.00 0.00 6.82 7.54 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 0.00 110 M 8.37 4.25 0.00 2.12 2.33 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00 111 N 8.21 4.94 0.00 2.79 2.86 0.00 0.00 6.74 7.54 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 0.00 112 T 8.04 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 1.29 0.00 0.00 113 Y 7.45 4.09 0.00 3.09 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.28 4.50 0.00 2.52 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 0.00 0.00 0.00 115 K 8.47 4.42 0.00 1.92 1.98 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.75 1.61 7.81 116 K 8.54 4.23 0.00 1.64 1.68 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.44 7.81 117 Y 7.57 4.18 0.00 1.51 1.65 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.62 4.36 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 3.00 0.00 119 L 8.50 4.04 0.00 1.73 2.07 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.48 4.39 0.00 3.05 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 0.00 121 S 7.42 4.43 0.00 3.72 3.48 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 0.00 122 I 7.94 3.90 1.88 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 1.33 0.97 0.93 0.00 0.00 *124 F 7.86 4.65 0.00 2.94 3.10 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 0.00 125 D 7.77 4.75 0.00 2.17 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 0.00 126 C 7.55 4.95 0.00 2.81 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 0.00 127 K 7.52 4.38 0.00 1.75 1.77 0.00 1.44 0.00 0.00 1.43 0.00 0.00 2.23 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.06 1.27 7.81 128 E 7.82 4.08 0.00 2.04 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 2.35 2.26 0.00 129 E 8.77 3.88 0.00 1.92 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 2.32 2.38 0.00 130 S 8.76 4.34 0.00 3.86 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 0.00 131 D 8.95 4.53 0.00 2.76 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 0.00 0.00 0.00 0.00 132 Q 8.79 4.20 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 133 C 9.17 4.38 0.00 2.99 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.