NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5259 8.3193 115.4237 57.8059 64.9610 174.2210 3 V 3.6302 7.8001 120.5570 63.0185 31.9428 174.6309 4 I 4.0807 8.5464 123.1209 60.2819 38.2728 176.3897 5 K 4.7656 8.2943 124.8884 53.9881 34.2478 174.9132 6 P 4.7522 0.0000 0.0000 65.3170 31.5021 175.9785 7 D 5.4141 8.0767 116.7446 52.8152 43.5704 175.4450 8 M 5.0200 9.1458 122.2393 53.6138 36.9436 174.9945 9 K 5.0188 8.7836 120.3652 55.4258 35.2808 175.5421 10 I 5.0461 8.6005 120.9780 59.6997 41.5710 174.7890 11 K 5.0358 8.7383 126.8389 54.7128 35.6567 174.8461 12 L 5.1855 8.8348 125.9383 54.8578 44.6086 174.3833 13 R 5.0507 8.8151 119.7042 55.1399 33.8064 173.1331 14 M 5.2529 9.8935 126.6627 53.8331 35.2672 174.0043 15 E 4.7959 8.7707 125.0939 54.9025 33.4293 175.7138 16 G 4.1035 7.8864 108.5373 47.0917 0.0000 171.6566 17 A 5.4798 8.4258 119.4304 51.2686 23.4749 176.5442 18 V 4.6691 8.4003 119.1711 62.2287 34.0010 175.5331 19 N 4.2889 10.2527 125.3472 54.4064 36.5084 175.5912 20 G 3.8762 8.6848 105.3054 45.5863 0.0000 173.6493 21 H 4.8081 8.1082 118.3205 53.1944 29.5062 172.6877 22 P 5.2051 0.0000 0.0000 63.2444 32.2726 175.3584 23 F 5.2120 8.7566 115.0634 56.4525 41.8390 172.5194 24 A 5.2188 9.1351 120.3400 50.6760 22.8356 175.3575 25 I 5.1985 9.1644 121.4414 59.7170 41.7676 174.3496 26 E 5.2486 9.1928 124.9186 54.8729 33.1823 175.2214 27 G 4.4703 8.9530 108.1791 45.2658 0.0000 172.1085 28 V 4.9263 8.5009 113.5110 59.9503 36.3110 175.4040 29 G 4.0599 8.8235 110.4562 46.4496 0.0000 171.4608 30 L 5.0593 8.5417 118.7810 55.2927 44.3397 174.4159 31 G 4.0781 8.7887 106.0371 45.9086 0.0000 172.6091 32 K 5.6128 8.9160 120.1197 53.1202 32.8875 175.4691 33 P 4.3272 0.0000 0.0000 65.6707 31.4457 179.1462 34 F 4.4605 8.0368 114.6980 59.6176 39.1067 175.9635 35 E 4.4265 8.2608 118.3256 55.5505 30.1134 176.1310 36 G 4.1156 7.8765 106.3149 46.6853 0.0000 173.2055 37 K 5.3169 7.8833 116.9683 54.5262 36.5487 175.5183 38 Q 4.8776 8.5515 119.2306 55.5917 32.2666 173.1100 39 S 5.0432 8.8471 114.1853 57.6367 66.7556 172.7211 40 M 5.0968 8.9412 117.7798 54.5710 35.2057 172.7988 41 D 5.3410 9.0782 119.8544 52.5330 43.9577 175.2562 42 L 5.1279 9.1086 123.3458 52.7688 45.1507 175.5990 43 K 5.1131 8.9477 122.2689 54.4217 35.7433 175.5847 44 V 4.2557 8.6991 125.8291 63.0713 31.1773 175.6721 45 K 4.4395 9.1647 128.6673 58.1808 33.2326 177.2157 46 E 4.6685 7.9392 117.3243 55.6755 34.0608 176.9365 47 G 4.1464 9.3020 110.1242 45.6139 0.0000 174.0793 48 G 3.8663 7.7399 108.0874 43.9892 0.0000 171.8422 49 P 4.3695 0.0000 0.0000 61.4768 31.9845 176.0675 50 L 3.5597 8.4608 122.5189 54.6989 41.5379 175.5954 51 P 4.6357 0.0000 0.0000 62.7077 31.3492 175.5865 52 F 4.9039 6.5130 111.3576 54.5155 40.9587 174.3116 53 A 3.7341 8.5185 124.9685 52.5820 18.5036 178.4224 54 Y 3.7583 8.1533 124.0443 60.6618 38.8820 177.7416 55 D 4.6462 8.2406 119.8190 57.3786 40.6264 178.4307 56 I 4.5259 7.6082 112.2483 63.3089 37.7824 177.3954 57 L 3.9390 8.0306 121.0535 56.1153 41.5230 178.4635 58 T 4.2909 7.7749 108.5274 65.2544 68.4776 175.8891 59 T 4.2036 8.0425 109.0970 62.5974 69.2463 175.2062 60 V 4.1950 7.8306 122.4360 65.5773 32.4485 177.0161 61 F 4.7752 7.3134 117.7910 57.0838 37.3201 176.4903 *65 N 4.5527 7.6940 118.9113 53.4540 39.0805 173.9872 66 R 3.9081 8.2489 124.6562 56.9999 29.8372 177.8900 67 V 3.6674 7.4811 110.4822 64.4797 32.1973 176.9965 68 F 4.6409 7.4654 120.2857 55.8902 37.5603 175.7577 69 A 4.7884 7.3183 120.9149 50.0965 22.6883 177.2530 70 K 4.1762 9.2794 125.0176 56.9951 33.0087 175.0040 71 Y 4.8390 8.5442 125.7524 55.5592 39.5536 174.6367 72 P 4.5698 0.0000 0.0000 62.2785 32.2072 177.3798 73 E 4.1352 8.7399 119.8678 59.0347 29.5338 177.7142 74 N 4.8093 8.1463 114.5191 52.5121 37.6910 174.4694 75 I 4.5438 7.4592 119.2286 59.2909 40.0499 175.5650 76 V 3.4718 8.4999 125.4275 63.1056 31.6398 175.0648 77 D 3.7976 8.2121 127.0985 52.2295 40.2608 175.6644 78 Y 3.6798 7.7852 127.8651 60.1676 39.1224 178.2184 79 F 3.8990 7.5783 118.1475 60.3732 39.1903 177.9369 80 K 4.1967 8.3413 117.8814 59.4048 31.5268 179.5220 81 Q 3.9922 7.4776 117.9623 58.6316 28.8062 178.3987 82 S 3.9657 7.5364 114.9610 59.9953 62.8134 174.6677 83 F 4.8792 6.8744 120.1054 55.8474 39.5709 174.0875 84 P 4.7170 0.0000 0.0000 65.5108 31.6154 177.5916 85 E 3.9430 8.3738 118.6209 59.4281 29.6348 176.8315 86 G 3.0697 9.1973 103.9233 44.3644 0.0000 170.8465 87 Y 5.3758 7.4107 114.4641 56.2449 41.9715 173.5751 88 S 5.1270 9.3189 113.3348 56.4403 67.0646 172.9768 89 W 5.8703 8.7193 117.0318 55.0893 31.9105 173.6709 90 E 5.3521 9.1597 119.8299 54.9795 33.1388 174.9312 91 R 5.1484 9.1599 122.2791 55.0233 34.4510 173.5697 92 S 5.0882 8.7971 120.0316 56.7397 65.9385 172.6417 93 M 4.4092 9.3311 124.8739 53.5705 34.3048 174.6339 94 N 4.9734 8.7804 124.8453 52.1691 40.2007 173.7023 95 Y 4.6963 8.9578 125.4138 57.1117 38.9592 177.2036 96 E 4.0072 8.8806 121.1833 58.9154 29.7387 177.5116 97 D 4.7574 8.4861 117.5235 53.0817 39.6362 177.2449 98 G 3.9447 8.4325 109.2014 45.1173 0.0000 174.4944 99 G 2.8445 7.8097 107.2926 45.8809 0.0000 172.9216 100 I 5.1060 8.1979 124.9281 59.4953 40.9012 174.1384 101 C 5.0527 9.2718 124.6509 57.9149 31.1712 172.5405 102 N 5.3510 8.9897 121.4018 51.3997 40.7271 173.7981 103 A 5.2109 9.0464 124.7585 50.5099 23.4007 174.7690 104 T 4.6399 8.4399 108.7153 59.9530 73.0301 172.5391 105 N 4.7381 7.7259 120.9993 51.9771 42.5834 172.3253 106 D 4.8189 8.6948 126.5877 52.8105 42.8083 174.7767 107 I 5.1269 8.1837 128.0835 59.9464 39.3057 175.2850 108 T 4.8581 9.0404 116.6707 59.6942 72.6364 172.4553 109 L 5.0353 8.6062 122.7180 53.5041 44.7164 175.7265 110 D 4.7869 9.2444 126.7726 52.2607 42.6781 177.9064 111 G 3.8797 8.7564 119.0411 45.9965 0.0000 171.6554 112 D 4.6228 9.0844 123.8599 52.6314 40.4714 174.6993 113 C 5.0712 7.5450 121.5639 58.0170 34.1769 172.2131 114 Y 4.9889 8.7913 124.1442 57.4817 39.4819 174.3444 115 I 4.9957 9.1150 124.6898 59.7996 40.0989 174.0399 116 Y 5.3802 8.8770 124.5658 56.2276 41.0133 174.3901 117 E 4.7421 8.9906 125.1646 54.7617 31.6865 174.2887 118 I 4.9928 8.6810 128.2928 59.3720 40.5230 174.9270 119 R 5.0536 8.4663 125.4313 54.5380 33.5087 173.9406 120 F 5.1607 8.9783 127.2121 56.7194 43.2914 172.9735 121 D 5.1265 8.8667 125.7472 52.8719 44.6868 174.4925 122 G 4.5862 9.2663 111.5194 44.5737 0.0000 171.9810 123 V 4.8083 8.2741 115.4194 59.6344 36.9171 175.0323 124 N 4.3535 8.7263 115.3912 54.3154 35.8518 174.4154 125 F 4.4074 8.0555 117.2459 56.1053 39.6552 174.1909 126 P 4.3575 0.0000 0.0000 62.3246 31.8236 177.2237 127 A 3.9913 8.8099 125.6586 54.9922 18.3383 177.9708 128 N 4.6659 8.0337 110.0316 52.8140 38.1771 175.7921 129 G 3.8309 7.9006 107.4774 43.6409 0.0000 172.9415 130 P 4.1368 0.0000 0.0000 65.2812 30.9453 178.9961 131 V 3.2938 7.2550 117.8607 66.2781 31.4122 177.8645 132 M 4.0605 7.7897 116.1905 57.5652 31.9816 177.5802 133 Q 4.2394 7.7202 115.8447 54.3469 30.3675 175.4137 134 K 3.6502 7.5470 118.4989 58.0882 29.5009 175.0739 135 R 4.6581 8.2464 113.8779 56.1234 31.9460 177.7811 136 T 4.4966 7.6953 109.3676 61.4910 69.8241 174.2323 137 V 4.2312 8.5627 124.0283 63.5501 32.6935 175.5765 138 K 4.3631 7.3225 115.6340 56.0849 36.1980 173.3620 139 W 5.0722 8.8779 120.7623 56.1110 29.9928 176.6481 140 E 4.4630 9.1527 123.7936 55.2982 29.9725 174.9713 141 P 4.7111 0.0000 0.0000 63.3032 32.4830 175.4062 142 S 4.6594 9.0436 115.1851 57.6253 67.1991 172.9896 143 T 4.9843 8.2695 116.2382 61.7819 70.7158 173.4087 144 E 4.4625 9.4143 129.0676 55.3775 31.5788 175.1795 145 K 4.4314 9.2882 126.6537 54.9749 34.0679 175.1508 146 L 5.0993 8.0172 126.2458 53.0665 44.1290 175.4259 147 Y 5.0127 7.9398 119.8971 55.6224 41.7204 174.0922 148 V 4.3152 8.3908 120.9563 62.7373 32.9733 175.4014 149 R 4.5179 9.1449 125.4199 56.7077 33.3748 174.5592 150 D 4.4435 9.7379 124.3324 55.5188 38.4127 174.8545 151 G 3.9026 8.4868 104.4321 45.8604 0.0000 173.5240 152 V 4.5524 7.5959 112.6290 59.2790 36.1286 173.6552 153 L 4.5488 7.9683 122.5641 53.4655 43.9715 175.3930 154 K 4.7025 8.5234 125.1994 54.5980 35.6086 175.7272 155 G 4.5265 8.6867 109.8797 44.6438 0.0000 171.2667 156 D 5.8123 9.1542 126.1088 52.5763 44.6545 175.8273 157 V 4.4171 8.2656 120.0593 60.5426 35.2545 173.0660 158 N 4.7947 8.7579 122.1662 53.1293 38.9015 174.3394 159 M 4.6490 8.9032 124.0535 53.6815 35.4523 175.2625 160 A 5.1871 8.5365 121.2691 50.8883 23.1347 174.8834 161 L 4.9789 9.0535 123.3313 52.8914 44.0284 176.3262 162 S 4.4880 8.9858 119.4709 58.2599 64.6686 173.4091 163 L 5.0639 8.3788 122.4000 52.7068 44.7002 175.8394 164 E 4.1599 8.6820 121.9242 57.9294 29.6620 177.8610 165 G 3.7871 8.6195 111.9383 45.0124 0.0000 174.0456 166 G 3.8225 7.3957 103.9274 46.0217 0.0000 174.2208 167 G 4.0332 8.7970 104.3506 45.3234 0.0000 171.7262 168 H 5.4757 8.3106 114.1473 53.9492 32.9139 173.1207 169 Y 5.0280 8.9911 121.6395 56.0787 41.1348 175.0137 170 R 4.7984 9.5780 126.9756 56.3078 32.0914 175.5136 171 C 4.9326 8.9692 121.4542 58.2024 35.7534 172.1146 172 D 5.3398 8.9553 125.8514 52.7662 43.0486 175.1867 173 F 5.2125 9.0058 122.7308 56.0552 41.5175 175.3195 174 K 4.7417 8.6602 121.6204 54.0654 35.2842 175.2226 175 T 4.9503 8.8154 122.3996 61.7379 72.0059 173.7941 176 T 4.6813 8.5620 121.2853 62.0274 71.9140 172.4283 177 Y 5.4632 9.3810 125.7833 56.4370 40.6564 175.1543 178 K 4.7287 9.7599 122.9969 54.3782 35.7307 175.6185 179 A 4.4447 9.4854 128.4681 51.5561 19.3642 178.0053 180 K 4.2028 8.7122 119.9779 56.7057 32.1758 176.7343 181 K 4.4141 7.1028 116.6170 55.2428 35.5010 175.6462 182 V 3.6356 8.1701 119.4570 62.9521 31.2818 175.3331 183 V 4.4035 7.7850 119.4710 58.7983 35.0480 175.1016 184 Q 4.0724 8.2910 122.3094 56.0401 29.4285 175.2029 185 L 4.5103 8.2881 125.3300 53.0349 42.8792 174.9492 186 P 4.5246 0.0000 0.0000 62.1447 32.3894 175.4681 187 D 4.6958 8.2198 119.5087 53.2135 41.9239 175.6145 188 Y 4.3160 8.4192 121.8617 58.9633 39.1655 174.8963 189 H 4.4872 8.0508 120.7600 54.7593 32.6722 171.7419 190 F 5.2843 8.7085 115.4759 55.9134 43.6832 174.8932 191 V 4.6282 8.4465 119.6037 61.4998 34.5468 174.0593 192 D 5.1369 9.1928 129.1219 54.5174 42.1524 175.4498 193 H 5.3813 9.3872 118.7844 54.8149 33.8418 172.7585 194 H 4.8601 8.7808 119.6554 56.0879 32.0475 171.6214 195 I 5.0344 8.4602 125.9690 59.4471 39.8458 174.4580 196 E 4.8566 9.4273 127.6188 54.9385 34.3482 174.5821 197 I 4.4760 8.5440 124.9360 60.6619 36.9936 175.8632 198 K 4.3296 8.9553 128.7702 59.1002 32.6861 177.7950 199 S 4.7131 7.5129 112.2876 57.6575 66.2724 172.9738 200 H 5.2117 8.1272 113.7195 55.6961 30.6945 173.2176 201 D 4.4794 7.9226 120.1188 52.0691 41.4147 176.8657 202 K 3.6397 8.7245 119.5065 59.5883 31.7982 176.8195 203 D 4.7841 7.9573 114.0305 52.8539 39.4959 175.6016 204 Y 3.3622 7.6511 114.8411 59.4774 36.0028 171.2497 205 S 4.4025 8.1052 119.0516 60.9088 64.3795 174.2157 206 N 5.4844 9.0292 117.2488 51.2953 41.9902 174.1694 207 V 4.6669 8.6602 122.5175 61.1869 35.6619 173.1683 208 N 5.2954 9.3358 127.1730 52.0991 40.5144 172.9462 209 L 5.3715 8.9037 129.0336 53.7638 45.0656 174.7869 210 H 5.4531 9.3415 121.4536 54.2909 33.5296 172.0160 211 E 5.2296 8.9044 120.7552 55.1467 33.6860 173.2782 212 H 5.5411 9.2665 125.2757 54.4536 32.9950 171.9180 213 A 5.5019 9.4627 126.9063 49.3327 22.8174 174.4784 214 E 4.9565 8.4114 119.2591 54.8024 34.0781 174.6721 215 A 4.8957 8.6040 126.5860 51.4942 20.5199 176.2500 216 H 5.0319 8.6712 114.3127 54.4541 31.6843 174.8404 217 S 4.4723 9.0123 115.3590 60.0954 63.7783 173.4924 218 E 5.0163 7.9766 119.2018 54.5604 32.7139 173.6623 219 L 4.7956 8.0888 120.7034 51.9916 45.6705 175.1195 220 P 4.3318 0.0000 0.0000 62.9741 31.2056 176.4955 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 S 8.32 4.53 0.00 4.02 4.08 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 3 V 7.80 3.63 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 0.85 0.00 0.00 0.96 0.00 0.00 4 I 8.55 4.08 2.02 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 1.49 0.85 0.60 0.00 0.00 5 K 8.29 4.77 0.00 1.77 1.78 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.39 7.81 6 P 0.00 4.75 0.00 2.26 2.22 0.00 3.62 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 7 D 8.08 5.41 0.00 2.54 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 8 M 9.15 5.02 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.43 0.00 9 K 8.78 5.02 0.00 1.69 1.73 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.40 7.81 10 I 8.60 5.05 1.89 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.04 0.52 0.00 0.00 11 K 8.74 5.04 0.00 1.73 1.53 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.34 7.81 12 L 8.83 5.19 0.00 2.00 1.56 1.11 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.82 5.05 0.00 1.86 1.80 0.00 3.21 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 14 M 9.89 5.25 0.00 2.42 2.17 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 15 E 8.77 4.80 0.00 1.84 1.69 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 2.16 2.20 0.00 16 G 7.89 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 17 A 8.43 5.48 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 18 V 8.40 4.67 1.64 0.00 0.00 0.00 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 0.22 0.00 0.00 19 N 10.25 4.29 0.00 2.98 2.98 0.00 0.00 7.21 7.91 0.00 0.00 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 G 8.68 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 21 H 8.11 4.81 0.00 3.53 3.40 0.00 5.82 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 5.21 0.00 2.12 2.09 0.00 3.90 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 23 F 8.76 5.21 0.00 3.42 3.30 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 24 A 9.14 5.22 1.24 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 0.00 0.00 0.00 25 I 9.16 5.20 2.27 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.96 0.00 0.00 26 E 9.19 5.25 0.00 1.91 1.81 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 2.25 2.26 0.00 27 G 8.95 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.50 4.93 2.05 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 0.71 0.00 0.00 0.90 0.00 0.00 29 G 8.82 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 0.00 0.00 0.00 30 L 8.54 5.06 0.00 1.79 1.72 0.92 0.88 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 31 G 8.79 4.08 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 0.00 0.00 0.00 32 K 8.92 5.61 0.00 1.78 1.90 0.00 1.76 0.00 0.00 2.02 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.69 1.29 7.81 33 P 0.00 4.33 0.00 1.61 1.72 0.00 3.95 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.05 0.00 34 F 8.04 4.46 0.00 3.13 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 35 E 8.26 4.43 0.00 2.20 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 2.38 2.37 0.00 36 G 7.88 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 0.00 0.00 0.00 37 K 7.88 5.32 0.00 1.69 1.65 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.56 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.59 7.81 38 Q 8.55 4.88 0.00 1.48 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.68 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 39 S 8.85 5.04 0.00 3.46 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 40 M 8.94 5.10 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 41 D 9.08 5.34 0.00 2.60 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 42 L 9.11 5.13 0.00 1.45 1.39 0.72 -0.12 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 43 K 8.95 5.11 0.00 1.64 1.68 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.32 7.81 44 V 8.70 4.26 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 0.84 0.00 0.00 1.10 0.00 0.00 45 K 9.16 4.44 0.00 1.73 1.89 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.59 7.81 46 E 7.94 4.67 0.00 2.01 1.84 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 2.33 2.35 0.00 47 G 9.30 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 48 G 7.74 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 49 P 0.00 4.37 0.00 2.16 2.06 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 50 L 8.46 3.56 0.00 1.26 0.37 0.47 0.70 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 51 P 0.00 4.64 0.00 2.17 2.10 0.00 3.53 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.98 0.00 52 F 6.51 4.90 0.00 2.83 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 53 A 8.52 3.73 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 54 Y 8.15 3.76 0.00 2.48 2.67 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 0.00 0.00 0.00 55 D 8.24 4.65 0.00 2.58 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.61 4.53 2.23 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.43 0.82 0.00 0.00 57 L 8.03 3.94 0.00 1.44 1.05 0.37 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.77 4.29 4.60 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 1.68 0.00 0.00 59 T 8.04 4.20 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 0.85 0.00 0.00 60 V 7.83 4.19 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 0.95 0.00 0.00 1.25 0.00 0.00 61 F 7.31 4.78 0.00 3.49 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 *65 N 7.69 4.55 0.00 2.73 3.14 0.00 0.00 6.69 7.65 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 66 R 8.25 3.91 0.00 0.71 0.66 0.00 3.20 0.00 0.00 3.05 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.16 0.00 67 V 7.48 3.67 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 1.12 0.00 0.00 -0.23 0.00 0.00 68 F 7.47 4.64 0.00 3.25 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 69 A 7.32 4.79 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 70 K 9.28 4.18 0.00 1.99 1.79 0.00 1.71 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.74 7.81 71 Y 8.54 4.84 0.00 2.99 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.57 0.00 2.40 2.02 0.00 3.65 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 2.14 2.14 0.00 73 E 8.74 4.14 0.00 2.00 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 2.37 2.36 0.00 74 N 8.15 4.81 0.00 2.86 2.94 0.00 0.00 5.82 7.81 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 75 I 7.46 4.54 2.09 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 1.24 0.75 0.94 0.00 0.00 76 V 8.50 3.47 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 0.75 0.00 0.00 0.92 0.00 0.00 77 D 8.21 3.80 0.00 2.39 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 78 Y 7.79 3.68 0.00 2.44 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 0.00 0.00 0.00 79 F 7.58 3.90 0.00 3.04 2.86 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 0.00 0.00 0.00 80 K 8.34 4.20 0.00 1.76 1.86 0.00 1.73 0.00 0.00 1.40 0.00 0.00 2.30 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.33 1.47 7.81 81 Q 7.48 3.99 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 82 S 7.54 3.97 0.00 3.88 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 83 F 6.87 4.88 0.00 3.29 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 84 P 0.00 4.72 0.00 2.26 2.27 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 85 E 8.37 3.94 0.00 2.07 2.02 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 2.29 2.38 0.00 86 G 9.20 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 0.00 0.00 0.00 87 Y 7.41 5.38 0.00 3.18 2.86 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 0.00 0.00 0.00 88 S 9.32 5.13 0.00 3.85 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 89 W 8.72 5.87 0.00 3.27 3.45 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 90 E 9.16 5.35 0.00 1.92 1.83 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 2.18 2.22 0.00 91 R 9.16 5.15 0.00 1.77 1.85 0.00 2.52 0.00 0.00 2.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.39 0.00 92 S 8.80 5.09 0.00 3.83 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 93 M 9.33 4.41 0.00 1.61 1.90 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.81 0.00 94 N 8.78 4.97 0.00 2.76 2.67 0.00 0.00 6.88 7.16 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 95 Y 8.96 4.70 0.00 3.23 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 96 E 8.88 4.01 0.00 2.14 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 0.00 2.48 2.46 0.00 97 D 8.49 4.76 0.00 2.92 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 98 G 8.43 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 99 G 7.81 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 0.00 0.00 0.00 100 I 8.20 5.11 1.76 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 1.29 0.97 0.84 0.00 0.00 101 C 9.27 5.05 0.00 2.88 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 0.00 0.00 0.00 0.00 102 N 8.99 5.35 0.00 2.41 2.58 0.00 0.00 6.21 7.81 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 0.00 103 A 9.05 5.21 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 0.00 104 T 8.44 4.64 4.00 0.00 0.00 0.00 0.00 0.00 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 0.00 105 N 7.73 4.74 0.00 1.44 1.42 0.00 0.00 6.89 7.78 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 0.00 106 D 8.69 4.82 0.00 2.73 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 0.00 107 I 8.18 5.13 1.61 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.65 1.28 0.00 0.00 108 T 9.04 4.86 4.34 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 1.26 0.00 0.00 109 L 8.61 5.04 0.00 1.86 1.90 0.35 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 110 D 9.24 4.79 0.00 2.73 2.48 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 0.00 111 G 8.76 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 0.00 112 D 9.08 4.62 0.00 2.74 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 0.00 113 C 7.54 5.07 0.00 2.89 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 0.00 114 Y 8.79 4.99 0.00 3.13 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 0.00 115 I 9.12 5.00 1.98 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 1.29 1.15 0.96 0.00 0.00 116 Y 8.88 5.38 0.00 2.88 2.78 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 0.00 117 E 8.99 4.74 0.00 2.06 1.78 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 2.16 2.24 0.00 118 I 8.68 4.99 2.06 0.00 0.00 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 0.98 0.68 0.93 0.00 0.00 119 R 8.47 5.05 0.00 1.84 1.62 0.00 3.19 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.65 0.00 120 F 8.98 5.16 0.00 3.07 2.78 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 0.00 121 D 8.87 5.13 0.00 2.43 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 0.00 122 G 9.27 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.27 4.81 2.05 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 0.69 0.00 0.00 0.91 0.00 0.00 124 N 8.73 4.35 0.00 2.81 2.82 0.00 0.00 6.96 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 0.00 125 F 8.06 4.41 0.00 3.18 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.21 2.00 0.00 3.84 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.13 0.00 127 A 8.81 3.99 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 0.00 128 N 8.03 4.67 0.00 2.80 2.92 0.00 0.00 5.99 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.90 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 0.00 0.00 0.00 130 P 0.00 4.14 0.00 1.81 1.99 0.00 3.37 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.91 0.00 131 V 7.26 3.29 1.60 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 0.29 0.00 0.00 0.62 0.00 0.00 132 M 7.79 4.06 0.00 2.02 2.34 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.67 0.00 133 Q 7.72 4.24 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 134 K 7.55 3.65 0.00 1.78 1.70 0.00 1.55 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.15 1.31 7.81 135 R 8.25 4.66 0.00 1.60 1.81 0.00 3.05 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 136 T 7.70 4.50 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 1.08 0.00 0.00 137 V 8.56 4.23 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 0.82 0.00 0.00 0.93 0.00 0.00 138 K 7.32 4.36 0.00 1.97 1.91 0.00 1.42 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.41 7.81 139 W 8.88 5.07 0.00 3.28 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 0.00 140 E 9.15 4.46 0.00 1.95 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 2.60 2.52 0.00 141 P 0.00 4.71 0.00 1.86 1.86 0.00 3.64 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 1.88 1.57 0.00 142 S 9.04 4.66 0.00 3.71 3.81 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 0.00 143 T 8.27 4.98 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 1.32 0.00 0.00 144 E 9.41 4.46 0.00 2.04 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 2.29 0.00 145 K 9.29 4.43 0.00 1.92 1.66 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.23 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.63 1.76 7.81 146 L 8.02 5.10 0.00 1.04 1.29 0.80 0.88 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 0.00 147 Y 7.94 5.01 0.00 3.08 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 0.00 148 V 8.39 4.32 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 0.77 0.00 0.00 0.90 0.00 0.00 149 R 9.14 4.52 0.00 1.95 1.67 0.00 3.37 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 150 D 9.74 4.44 0.00 2.83 2.71 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 0.00 151 G 8.49 3.90 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 0.00 0.00 0.00 152 V 7.60 4.55 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 0.75 0.00 0.00 0.99 0.00 0.00 153 L 7.97 4.55 0.00 0.62 0.82 0.64 0.03 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 0.00 154 K 8.52 4.70 0.00 0.79 0.98 0.00 1.54 0.00 0.00 1.46 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.01 1.18 7.81 155 G 8.69 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 0.00 156 D 9.15 5.81 0.00 2.73 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 0.00 157 V 8.27 4.42 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 0.32 0.00 0.00 0.77 0.00 0.00 158 N 8.76 4.79 0.00 2.59 2.78 0.00 0.00 6.92 7.66 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 0.00 159 M 8.90 4.65 0.00 1.32 1.49 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.60 0.00 160 A 8.54 5.19 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 0.00 161 L 9.05 4.98 0.00 1.59 1.42 0.67 -0.43 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 0.00 162 S 8.99 4.49 0.00 3.82 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 0.00 163 L 8.38 5.06 0.00 1.75 1.53 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 164 E 8.68 4.16 0.00 1.90 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 2.33 2.37 0.00 165 G 8.62 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 0.00 166 G 7.40 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 0.00 0.00 0.00 167 G 8.80 4.03 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 0.00 0.00 0.00 168 H 8.31 5.48 0.00 3.03 3.26 0.00 5.84 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 Y 8.99 5.03 0.00 2.96 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 0.00 170 R 9.58 4.80 0.00 1.84 1.80 0.00 3.57 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 171 C 8.97 4.93 0.00 2.51 2.76 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 0.00 172 D 8.96 5.34 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 0.00 173 F 9.01 5.21 0.00 2.85 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 0.00 174 K 8.66 4.74 0.00 1.63 1.65 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.23 7.81 175 T 8.82 4.95 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 0.25 0.00 0.00 176 T 8.56 4.68 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 1.17 0.00 0.00 177 Y 9.38 5.46 0.00 2.68 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 0.00 178 K 9.76 4.73 0.00 1.74 1.79 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.45 7.81 179 A 9.49 4.44 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 0.00 180 K 8.71 4.20 0.00 1.77 1.82 0.00 1.87 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.43 7.81 181 K 7.10 4.41 0.00 1.87 1.68 0.00 1.55 0.00 0.00 1.87 0.00 0.00 3.05 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.21 1.25 7.81 182 V 8.17 3.64 2.05 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 0.79 0.00 0.00 0.91 0.00 0.00 183 V 7.79 4.40 1.81 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 0.50 0.00 0.00 0.35 0.00 0.00 184 Q 8.29 4.07 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 185 L 8.29 4.51 0.00 1.68 1.57 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 186 P 0.00 4.52 0.00 2.16 2.18 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.87 0.00 187 D 8.22 4.70 0.00 2.74 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 0.00 188 Y 8.42 4.32 0.00 2.94 2.78 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 0.00 189 H 8.05 4.49 0.00 3.32 3.30 0.00 5.26 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 F 8.71 5.28 0.00 2.48 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 0.00 191 V 8.45 4.63 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 0.63 0.00 0.00 0.77 0.00 0.00 192 D 9.19 5.14 0.00 2.58 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 0.00 193 H 9.39 5.38 0.00 2.90 3.10 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 H 8.78 4.86 0.00 3.20 3.20 0.00 5.75 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 I 8.46 5.03 1.96 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 1.55 1.35 1.07 0.00 0.00 196 E 9.43 4.86 0.00 1.88 1.80 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 2.23 2.17 0.00 197 I 8.54 4.48 2.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.70 1.02 0.00 0.00 198 K 8.96 4.33 0.00 1.79 1.80 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.03 7.81 199 S 7.51 4.71 0.00 3.75 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 0.00 200 H 8.13 5.21 0.00 2.63 3.02 0.00 5.32 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 0.00 201 D 7.92 4.48 0.00 2.68 2.76 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 0.00 202 K 8.72 3.64 0.00 1.67 1.86 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.43 7.81 203 D 7.96 4.78 0.00 2.84 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 0.00 204 Y 7.65 3.36 0.00 3.08 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 0.00 205 S 8.11 4.40 0.00 3.98 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 0.00 206 N 9.03 5.48 0.00 2.62 2.61 0.00 0.00 6.31 8.49 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 0.00 207 V 8.66 4.67 1.81 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 0.70 0.00 0.00 0.31 0.00 0.00 208 N 9.34 5.30 0.00 2.74 2.67 0.00 0.00 6.36 6.49 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 0.00 209 L 8.90 5.37 0.00 1.89 1.55 1.21 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 210 H 9.34 5.45 0.00 3.11 3.15 0.00 5.84 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 E 8.90 5.23 0.00 2.11 1.77 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 2.30 2.34 0.00 212 H 9.27 5.54 0.00 3.30 3.14 0.00 5.77 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 0.00 213 A 9.46 5.50 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 0.00 214 E 8.41 4.96 0.00 1.82 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 2.32 2.25 0.00 215 A 8.60 4.90 0.33 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 0.00 216 H 8.67 5.03 0.00 3.30 3.36 0.00 5.45 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 S 9.01 4.47 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 0.00 218 E 7.98 5.02 0.00 1.96 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 2.24 2.45 0.00 219 L 8.09 4.80 0.00 1.44 1.31 -0.08 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 220 P 0.00 4.33 0.00 2.00 1.92 0.00 3.69 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 2.00 2.03 0.00 * Residues marked with a * may have inaccurate shift predictions.