NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 H 4.8747 8.4293 117.8360 55.6742 30.1460 173.6404 10 S 4.3859 8.8379 120.4801 57.4087 65.2427 174.3583 11 Q 4.0301 8.7279 123.6932 60.3194 28.0723 179.5579 12 L 4.1409 7.8569 121.6317 58.1177 42.1404 178.5132 13 D 4.3903 8.0057 118.4561 57.6582 40.7327 178.9983 14 Q 3.9742 8.0870 118.3380 58.7738 28.6301 178.5631 15 L 3.9726 8.1006 120.1663 57.9509 41.7246 179.7036 16 L 3.9779 8.1708 118.9106 58.1813 41.4879 179.7720 17 T 4.0040 8.3606 116.2006 66.3777 68.2625 177.0294 18 G 3.5605 8.4886 108.2049 47.5841 0.0000 175.3022 19 L 3.9145 8.0653 123.2773 58.0242 41.8689 179.3273 20 V 3.5591 7.4475 116.4767 66.0310 31.4975 177.4495 21 D 4.4710 8.1216 117.9312 57.5290 40.7893 178.6637 22 R 4.3331 8.0713 117.4403 57.2309 30.4766 176.6257 23 V 4.0429 7.6617 119.2354 60.7550 31.1205 175.5693 24 A 3.9745 8.7009 131.4106 55.6197 18.4744 178.4495 25 E 4.1507 8.1882 114.2806 58.3958 30.8278 177.0142 26 V 4.4298 7.7506 120.3878 61.6744 32.1422 175.2490 27 D 4.5396 9.0208 128.4683 56.5460 41.8743 176.5390 28 H 4.7544 7.5773 112.6065 54.3057 33.6149 172.3894 29 A 5.1772 8.4936 120.9452 50.8730 22.9398 175.7702 30 V 4.9977 9.1122 113.5131 59.7084 37.0216 174.5031 31 V 4.8898 8.8346 122.3773 61.2541 33.9776 174.2632 32 L 5.3908 8.9173 128.1785 52.8678 44.7276 176.5953 33 S 4.8338 8.9851 120.3909 58.2008 64.3946 175.4916 34 E 3.9473 8.7678 118.9723 59.9421 29.2893 177.9420 35 D 4.5475 7.9697 115.0706 53.9678 40.1749 179.4014 36 G 4.1086 8.1009 106.0905 45.7095 0.0000 174.2296 37 L 3.9792 7.5384 120.7804 54.4714 42.1099 176.6695 38 V 3.9544 8.2378 123.0492 62.9089 31.4444 175.6163 39 V 4.0019 8.6643 128.9322 65.2305 32.2720 175.9164 40 S 4.9223 7.7917 112.2379 57.3569 65.4620 173.8613 41 K 5.3141 8.5641 122.4597 55.0334 35.9899 175.9587 42 S 4.4154 9.0594 117.2518 58.8130 63.3767 175.7023 43 T 3.9978 8.7946 113.5749 64.0933 68.7601 175.2344 44 G 3.9348 8.0952 109.9919 45.1432 0.0000 173.1463 45 F 4.9772 7.9328 122.9179 55.8247 39.3815 176.0094 46 L 4.0938 8.2879 128.3440 54.6903 43.4312 178.0273 47 R 3.7813 8.5866 123.6530 60.3581 30.0847 179.3151 48 D 4.3048 7.9153 120.3128 58.5517 39.8078 180.2409 49 D 4.4199 7.7484 119.7303 56.8231 40.8850 178.5860 50 A 3.1455 7.2820 121.4518 55.0279 18.2975 179.6696 51 E 3.9761 8.0997 117.0592 59.1983 29.4109 179.6163 52 R 3.8471 7.8233 118.9739 59.3082 30.0900 178.3217 53 L 4.0146 8.1467 120.0166 58.1116 42.0867 178.8042 54 A 3.9809 8.4357 121.0425 55.0550 18.2974 179.5029 55 A 3.9546 8.4163 119.7605 55.5190 18.4305 180.0469 56 T 3.8000 7.9793 114.1001 66.7428 68.3201 176.8491 57 A 4.0022 8.0294 121.7442 55.2181 18.4812 179.3667 58 S 4.2696 8.1546 110.9759 61.3121 62.8449 176.3227 59 G 3.7843 8.1458 108.6959 47.4814 0.0000 175.9357 60 L 3.9705 7.5173 116.3423 55.9209 41.4575 178.1476 *62 S 4.5390 7.9423 116.9702 58.6723 64.8158 175.3861 63 L 3.9529 7.7596 118.9986 57.4537 41.2219 177.4927 *77 R 4.2191 7.6472 117.4275 56.6165 31.3626 174.2981 78 Q 4.8819 8.4884 121.4950 55.4489 33.1123 173.2091 79 A 4.7701 8.9048 121.6628 50.7479 23.2445 175.1936 80 L 5.1477 8.4446 121.5235 53.5303 45.2948 175.4886 81 I 4.6030 9.0580 126.9603 59.6127 40.1938 174.4767 82 E 4.0359 8.8767 127.9529 54.7247 29.7609 175.7622 *84 G 3.9282 8.7036 114.4029 46.1845 0.0000 175.7962 85 K 3.9917 8.3194 120.4090 56.0954 32.1282 178.8596 86 G 3.8664 5.5819 105.5122 45.6321 0.0000 170.8818 87 Y 4.9612 8.5344 119.2186 56.1207 41.7189 174.6614 88 L 5.1155 8.8999 124.6369 53.5944 44.3844 175.1648 89 I 5.0873 8.8075 126.6253 59.4139 41.0477 174.1974 90 L 5.3228 9.1691 128.0644 53.6638 45.3603 175.0298 91 T 5.1916 8.9795 118.9775 59.9860 71.5502 172.5939 92 A 4.2414 8.2602 126.8392 52.0154 18.9794 177.9845 93 A 4.4417 8.4624 124.0082 50.0169 18.2520 176.6639 94 G 3.8819 8.1759 111.7373 43.3554 0.0000 170.5446 95 P 4.2287 0.0000 0.0000 64.4986 31.5108 177.7149 96 G 4.2152 7.5766 104.2840 45.6652 0.0000 172.5786 97 A 5.2344 7.5171 120.6376 51.2147 22.9707 175.2127 98 H 5.2470 9.2489 115.9922 53.9144 33.1587 172.6446 99 L 4.8599 8.9420 125.0918 54.2418 43.6680 175.4118 100 V 4.8999 9.1686 125.8049 61.1377 34.8253 174.2482 101 V 4.8811 9.0306 127.0948 61.0704 35.2660 173.7801 102 L 5.2353 8.6286 126.6032 53.3279 43.7669 176.2098 103 T 4.9020 8.7455 117.0344 60.8361 71.1134 175.1666 104 R 4.4737 8.4496 125.9199 56.8310 30.8087 177.1712 105 Q 4.0288 8.4968 117.5207 57.8802 28.6049 174.5828 106 G 3.8869 9.0821 110.8546 44.8495 0.0000 173.5544 107 A 4.0127 7.9245 121.5720 52.0837 19.0708 178.0338 108 D 4.5191 8.4821 120.1079 53.3875 41.9631 177.3966 109 V 3.3766 8.2518 127.6864 65.9053 31.5428 177.8230 110 G 3.6228 7.8833 105.5407 47.7548 0.0000 175.8131 111 V 3.6015 7.8332 120.1416 65.7118 31.4820 178.0701 112 V 3.5343 7.5173 116.2551 66.0238 31.4571 177.4158 113 A 4.0988 8.3154 119.4716 55.2183 18.2465 178.6551 114 Y 4.1789 7.8770 117.0037 60.8750 38.9490 179.2937 115 Q 3.9102 7.9430 114.4747 56.6086 29.1141 176.7184 *117 N 4.4126 7.9669 115.8499 53.1773 40.5728 176.2184 *119 L 4.1399 7.9402 121.3549 55.1362 43.7235 178.9621 120 V 3.5913 7.7406 116.1882 65.6762 31.7329 176.8501 121 K 4.0392 7.9617 122.4783 59.8452 32.1564 178.8039 122 K 4.1457 7.7810 118.9022 57.2200 32.0386 178.6128 123 I 3.9738 7.4911 122.8762 61.7634 36.9025 175.7139 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 9 H 8.43 4.87 0.00 3.19 3.32 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.84 4.39 0.00 4.06 4.01 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 11 Q 8.73 4.03 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.95 0.00 0.00 0.00 0.00 0.00 2.37 1.99 0.00 12 L 7.86 4.14 0.00 1.71 1.70 0.93 1.27 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 13 D 8.01 4.39 0.00 2.99 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.09 3.97 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 15 L 8.10 3.97 0.00 1.86 1.71 0.91 0.60 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 16 L 8.17 3.98 0.00 1.85 1.73 0.93 1.05 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 17 T 8.36 4.00 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 1.20 0.00 0.00 18 G 8.49 3.56 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 19 L 8.07 3.91 0.00 1.73 1.86 0.89 1.05 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 20 V 7.45 3.56 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 0.90 0.00 0.00 0.90 0.00 0.00 21 D 8.12 4.47 0.00 2.73 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 22 R 8.07 4.33 0.00 1.77 1.99 0.00 3.15 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 23 V 7.66 4.04 2.15 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 1.10 0.00 0.00 0.97 0.00 0.00 24 A 8.70 3.97 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 25 E 8.19 4.15 0.00 1.98 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 2.39 2.37 0.00 26 V 7.75 4.43 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 0.69 0.00 0.00 0.90 0.00 0.00 27 D 9.02 4.54 0.00 2.54 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 0.00 0.00 0.00 28 H 7.58 4.75 0.00 2.11 1.31 0.00 5.60 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 29 A 8.49 5.18 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 30 V 9.11 5.00 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 0.95 0.00 0.00 1.09 0.00 0.00 31 V 8.83 4.89 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.95 0.00 0.00 32 L 8.92 5.39 0.00 1.63 1.55 0.95 0.58 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 33 S 8.99 4.83 0.00 3.90 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 34 E 8.77 3.95 0.00 2.03 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 2.27 2.15 0.00 35 D 7.97 4.55 0.00 2.69 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 36 G 8.10 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.54 3.98 0.00 1.72 1.61 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.24 3.95 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 0.80 0.00 0.00 0.91 0.00 0.00 39 V 8.66 4.00 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 0.77 0.00 0.00 0.99 0.00 0.00 40 S 7.79 4.92 0.00 3.91 3.65 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 41 K 8.56 5.31 0.00 2.01 1.79 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.74 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.47 7.81 42 S 9.06 4.42 0.00 3.94 4.20 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 43 T 8.79 4.00 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 1.06 0.00 0.00 44 G 8.10 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 45 F 7.93 4.98 0.00 2.93 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 46 L 8.29 4.09 0.00 1.87 1.52 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.59 3.78 0.00 1.78 1.86 0.00 3.29 0.00 0.00 3.55 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 48 D 7.92 4.30 0.00 2.72 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 49 D 7.75 4.42 0.00 2.36 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 50 A 7.28 3.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.10 3.98 0.00 2.01 1.96 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 2.27 2.35 0.00 52 R 7.82 3.85 0.00 2.04 2.06 0.00 3.09 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 53 L 8.15 4.01 0.00 2.03 2.00 1.01 1.12 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 54 A 8.44 3.98 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 55 A 8.42 3.95 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 56 T 7.98 3.80 4.41 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 1.23 0.00 0.00 57 A 8.03 4.00 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 58 S 8.15 4.27 0.00 3.88 4.13 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 59 G 8.15 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.52 3.97 0.00 1.83 1.70 0.93 0.79 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 *62 S 7.94 4.54 0.00 4.03 3.96 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 63 L 7.76 3.95 0.00 1.86 1.73 0.92 0.70 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 *77 R 7.65 4.22 0.00 1.97 1.94 0.00 3.24 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 78 Q 8.49 4.88 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.49 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 79 A 8.90 4.77 1.20 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 0.00 0.00 80 L 8.44 5.15 0.00 1.63 1.55 0.90 1.19 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 81 I 9.06 4.60 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.99 0.91 0.00 0.00 82 E 8.88 4.04 0.00 1.81 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.47 0.00 *84 G 8.70 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 85 K 8.32 3.99 0.00 1.78 1.77 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.04 7.81 86 G 5.58 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 8.53 4.96 0.00 2.79 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 88 L 8.90 5.12 0.00 1.74 1.56 0.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.81 5.09 1.87 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.72 0.96 0.00 0.00 90 L 9.17 5.32 0.00 1.66 1.47 0.89 0.41 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 91 T 8.98 5.19 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 1.20 0.00 0.00 92 A 8.26 4.24 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.46 4.44 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 94 G 8.18 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 95 P 0.00 4.23 0.00 2.04 2.12 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 96 G 7.58 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 97 A 7.52 5.23 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 H 9.25 5.25 0.00 3.09 3.17 0.00 5.80 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 99 L 8.94 4.86 0.00 1.75 1.53 1.00 0.61 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 0.00 100 V 9.17 4.90 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 1.07 0.00 0.00 0.97 0.00 0.00 101 V 9.03 4.88 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 0.98 0.00 0.00 0.91 0.00 0.00 102 L 8.63 5.24 0.00 1.55 1.54 1.02 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.75 4.90 4.43 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 1.29 0.00 0.00 104 R 8.45 4.47 0.00 1.64 1.79 0.00 3.26 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 105 Q 8.50 4.03 0.00 1.83 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.09 0.00 0.00 0.00 0.00 0.00 2.28 1.94 0.00 106 G 9.08 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 0.00 0.00 0.00 107 A 7.92 4.01 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 0.00 108 D 8.48 4.52 0.00 2.74 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 0.00 109 V 8.25 3.38 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 0.76 0.00 0.00 0.10 0.00 0.00 110 G 7.88 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 0.00 0.00 0.00 111 V 7.83 3.60 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 1.13 0.00 0.00 0.90 0.00 0.00 112 V 7.52 3.53 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.94 0.00 0.00 113 A 8.32 4.10 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 0.00 114 Y 7.88 4.18 0.00 2.97 3.25 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 0.00 115 Q 7.94 3.91 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 *117 N 7.97 4.41 0.00 2.83 2.76 0.00 0.00 6.62 6.74 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 *119 L 7.94 4.14 0.00 1.78 1.64 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.74 3.59 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 0.83 0.00 0.00 0.95 0.00 0.00 121 K 7.96 4.04 0.00 1.90 1.77 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.40 7.81 122 K 7.78 4.15 0.00 1.82 1.71 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.36 1.03 7.81 123 I 7.49 3.97 1.98 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 1.15 1.11 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.