NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 D 4.5687 8.2233 120.1884 53.2493 41.1656 175.8116 -1 P 4.1218 0.0000 0.0000 63.8364 31.5226 176.2841 0 M 4.1183 8.3256 118.1607 58.2078 32.9643 177.3956 1 V 3.4834 7.9039 117.8819 66.2940 31.5341 177.3675 2 S 4.2076 8.2977 112.9144 61.5240 61.8634 176.1683 3 K 3.9433 7.7200 120.5091 59.5173 32.3007 178.7350 4 G 3.7895 8.1254 105.2729 48.2829 0.0000 174.9528 5 E 3.8177 7.9711 121.4624 59.2623 29.5223 178.6455 6 E 3.9394 8.6396 119.4943 59.4119 29.7707 178.7283 7 L 3.9304 7.7808 117.4671 56.0922 42.0035 177.5629 8 F 4.8715 8.5368 116.9220 57.1916 39.8522 177.0909 9 T 4.0016 8.1646 112.2950 63.3545 69.4269 174.3912 10 G 4.4358 7.0853 109.6145 44.2071 0.0000 171.7915 11 V 4.2240 8.4123 120.9931 62.4816 32.5738 176.9184 12 V 4.6492 8.9103 128.5603 60.1850 34.0884 173.1297 13 P 4.8718 0.0000 0.0000 63.0594 32.9677 175.1184 14 I 5.1041 8.6976 121.8925 59.5187 41.0489 174.1120 15 L 5.2203 8.8176 127.8502 53.1993 45.4294 175.1747 16 V 5.0292 8.8122 124.7889 61.2348 35.2380 173.9120 17 E 5.3141 9.2347 125.9601 54.5733 33.4509 174.3559 18 L 5.3104 9.5004 126.1289 53.3766 45.9201 174.4973 19 D 5.0434 9.1087 125.9587 52.4524 43.3741 175.5596 20 G 3.4407 8.5547 110.2135 44.1375 0.0000 171.4204 21 D 4.9327 8.2455 121.3160 52.8750 44.8827 174.1853 22 V 4.8598 8.8791 126.7148 61.2881 34.2216 175.1862 23 N 4.2504 10.2651 127.5537 54.4031 36.6636 175.8649 24 G 3.8390 8.6899 105.3285 45.7572 0.0000 174.2807 25 H 4.3876 8.0653 117.7946 55.5329 28.0773 174.3585 26 K 5.0676 8.3553 124.4151 55.5293 33.6631 176.1769 27 F 4.9374 8.2616 116.9106 56.3700 41.6610 172.9148 28 S 5.1828 9.0046 115.0007 56.9255 67.3064 173.4559 29 V 5.1043 8.9676 121.6924 61.5471 35.2065 174.1286 30 S 5.4300 9.1515 123.0077 56.8763 65.9019 173.4025 31 G 4.1762 9.7181 110.5995 44.5389 0.0000 171.2018 32 E 5.0335 8.6884 119.8251 53.4384 34.0397 175.7257 33 G 4.2509 8.2193 111.8307 45.7541 0.0000 172.6588 34 E 4.9428 8.5102 121.1440 55.0625 33.2014 174.5892 35 G 3.3923 8.8165 108.8649 44.4307 0.0000 171.7245 36 D 5.2144 9.2270 122.0097 52.1275 42.3385 175.5670 37 A 4.4817 9.0574 127.9780 54.8228 19.1528 179.8852 38 T 3.6815 8.2226 111.9831 66.5884 68.3803 174.3490 39 Y 4.4215 7.8401 114.6535 56.9724 38.7640 175.7848 40 G 4.1770 8.1115 108.0471 46.1869 0.0000 172.6653 41 K 4.5994 8.1174 120.9480 54.2167 34.5139 175.0453 42 L 5.0258 8.3802 126.2035 53.1637 45.9677 175.5830 43 T 4.9099 8.7409 119.2038 61.7803 71.9897 173.0314 44 L 4.8841 8.8265 125.7487 52.6698 46.5715 175.3451 45 K 4.6668 8.5298 123.7105 54.4673 35.3336 174.5745 46 F 5.1231 8.9256 125.9394 55.6158 42.2077 174.3579 47 I 5.0079 8.8028 123.7980 59.5042 40.2282 174.2938 48 C 5.0629 9.7572 129.1875 59.6885 31.5376 173.2353 49 T 4.5639 9.0860 116.9092 62.2046 69.0392 175.4620 50 T 4.5183 8.0293 111.2537 61.0437 70.6265 173.6160 51 G 4.1359 7.7373 107.9724 44.6352 0.0000 176.3571 52 K 4.2322 8.6868 127.4986 55.1760 32.5223 175.8657 53 L 3.7256 8.7681 129.6327 54.3839 42.1409 174.7359 54 P 4.4193 0.0000 0.0000 63.0257 31.8639 175.5372 55 V 4.0728 6.3368 111.0605 58.3749 35.3788 173.2905 56 P 4.3968 0.0000 0.0000 62.0886 31.9811 177.7566 57 W 4.3086 9.1086 122.8456 59.8277 28.8986 176.9875 58 P 4.5201 0.0000 0.0000 65.7082 30.5385 178.5459 59 T 4.1839 7.9091 107.7712 63.8409 68.9114 175.4937 60 L 4.3215 8.0326 120.6636 54.3122 40.9097 178.1635 61 V 3.5999 7.5817 120.3443 66.5004 31.2139 178.0596 62 T 4.0850 7.9470 107.0939 64.8750 68.7070 176.1744 63 T 4.1044 7.0051 115.4064 66.0840 69.3899 177.2191 64 F 4.8003 7.6286 120.0693 56.8587 38.0544 176.2188 *68 L 4.3786 7.5587 116.0699 55.1357 43.1619 178.9451 69 M 3.9149 7.7550 119.1871 57.7078 32.4575 178.9693 70 C 4.0918 7.4955 111.8706 60.2284 29.9241 174.3142 71 F 4.4270 8.2648 119.1333 57.2546 38.7142 175.2206 72 A 4.1973 7.5872 123.4683 51.9096 19.1988 177.8717 73 R 4.3331 8.6762 122.0460 55.9126 31.1981 174.8772 74 Y 4.5101 8.5873 125.0859 55.7827 39.0727 174.1162 75 P 4.2015 0.0000 0.0000 62.7937 32.5182 176.5007 76 D 4.3833 9.0792 121.8325 57.8900 41.0433 178.4836 77 H 4.4226 8.2485 112.0096 57.6946 28.8277 175.5463 78 M 4.7129 8.0289 119.6149 54.9782 32.2815 177.7137 79 K 3.9132 7.9904 121.0207 59.4286 32.2238 178.6889 80 Q 4.1114 7.9311 115.2581 57.3925 28.6151 175.9832 81 H 4.7152 8.0168 114.7616 55.5072 28.9548 175.0009 82 D 3.6871 7.0910 121.3526 52.1887 39.8826 176.3542 83 F 3.9323 8.1393 126.7933 60.6935 39.3326 176.0638 84 F 3.9104 7.3323 115.3559 60.7429 39.0827 177.4952 85 K 4.0725 8.0520 117.6999 59.2428 31.5431 179.6516 86 S 4.0634 7.2333 112.8637 61.0606 63.0883 175.7921 87 A 4.0736 7.5876 122.5625 52.6398 18.1853 176.9548 88 M 4.8483 7.2450 117.2783 53.3872 33.6273 174.8957 89 P 4.7958 0.0000 0.0000 64.8037 32.1804 178.4039 90 E 3.8764 8.1734 118.6807 58.1537 29.8021 176.1902 91 G 3.7906 9.3852 104.3366 44.3319 0.0000 171.2478 92 Y 5.3725 8.0081 114.9419 55.6077 42.1253 174.1485 93 V 4.6757 9.4425 121.3002 62.0336 33.6346 174.3514 94 Q 5.2301 9.5075 129.5527 54.6744 31.2923 173.6798 95 E 5.3541 9.3354 126.8360 54.8168 32.3866 175.5705 96 R 5.2475 9.0290 121.3872 54.8224 35.1940 174.0784 97 T 4.7894 8.6846 117.4242 61.7777 71.7435 173.2646 98 I 4.2971 8.5886 127.1864 59.4980 39.8297 174.8166 99 F 4.7203 8.7095 127.7949 55.7421 40.3652 175.4523 100 F 4.6750 8.5976 124.6457 56.2905 39.8157 175.7581 101 K 4.0488 8.8631 126.3824 58.0015 32.3809 175.8548 102 D 4.4912 8.9104 123.9030 54.9016 38.6136 172.8331 103 D 4.4320 7.9844 118.2132 53.7154 44.0205 173.5574 104 G 2.9676 7.3973 107.2163 44.6254 0.0000 171.7330 105 N 5.3902 7.7754 114.9731 51.5121 41.2411 173.0619 106 Y 5.6669 8.7217 118.2127 56.6393 40.8102 174.7631 107 K 5.1831 9.3354 122.7640 54.8224 35.5204 175.3760 108 T 5.1542 9.0735 114.4205 59.9182 72.7259 172.7950 109 R 5.0736 8.9253 122.5617 54.7496 33.6158 173.6688 110 A 5.2717 9.1394 127.0738 50.2657 23.0953 174.1867 111 E 5.0052 9.0726 120.9472 54.5670 32.2548 175.1961 112 V 4.8072 8.2833 125.0300 61.0952 33.8428 174.3811 113 K 4.7243 8.3812 125.9008 55.6107 36.2856 174.9791 114 F 4.4780 8.4880 120.2741 57.5747 39.7257 175.7626 115 E 4.5248 9.3727 123.3190 54.9598 30.9510 176.9110 116 G 3.8774 8.2232 116.7487 47.0901 0.0000 173.5231 117 D 4.5960 8.8257 123.4678 55.1610 41.4797 175.8850 118 T 4.6931 7.7235 117.7743 62.1992 70.5013 173.6285 119 L 3.9300 9.0017 129.5706 54.1495 43.4587 175.3256 120 V 4.8936 8.7622 126.8651 61.0224 34.6574 173.7462 121 N 5.0660 9.2384 126.2886 52.1566 41.3465 172.9312 122 R 5.1849 8.8502 126.3700 54.5542 32.6366 175.5688 123 I 5.1192 9.0317 124.7440 59.4840 41.3958 174.1873 124 E 5.0170 9.2358 125.7610 54.4133 32.3447 174.7472 125 L 5.1879 8.9490 125.9816 53.0211 45.7451 174.9063 126 K 4.8638 9.2701 126.6629 54.5883 35.5164 174.8962 127 G 5.6174 9.5997 114.6104 45.5827 0.0000 171.7894 128 I 5.2142 8.1098 114.8316 59.7696 41.7498 174.7269 129 D 4.4239 8.8745 119.5157 55.2693 37.9343 174.5006 130 F 4.5004 8.4069 117.4379 56.9180 39.7923 175.5880 131 K 4.2444 10.0797 124.1216 57.4272 32.2239 178.9858 132 E 3.7575 7.8378 124.4480 58.8949 29.8132 178.5167 133 D 4.8846 7.8750 115.6293 52.9055 40.1064 176.6286 134 G 3.9649 7.8415 110.5644 45.4195 0.0000 174.6143 135 N 4.3335 8.6869 115.1358 55.9957 38.6012 177.0212 136 I 3.7636 7.2546 118.9320 63.4272 37.8891 177.9700 137 L 3.7630 7.5468 120.9475 57.2527 41.7416 178.4018 138 G 3.7472 8.0169 105.6264 45.0334 0.0000 173.1419 139 H 3.9147 7.4466 116.1240 57.2341 26.6127 174.8847 140 K 4.6850 8.2525 115.1194 56.2057 33.9263 177.6117 141 L 5.0143 7.6966 120.2905 53.3719 43.1579 176.4962 142 E 4.1920 9.2993 122.6572 56.3281 30.9088 176.2833 143 Y 4.7012 8.5248 124.5749 55.6302 37.2938 173.2646 144 N 4.8532 7.6050 119.4297 52.3094 40.5939 173.7828 145 Y 4.4774 8.1176 117.2883 56.6444 41.6290 173.3878 146 N 4.8926 8.0009 123.7798 51.9640 40.4440 175.0237 147 S 4.7749 8.2803 116.4939 59.3268 64.2144 173.6563 148 H 4.8265 8.7454 118.3759 54.8702 33.4519 173.0502 149 N 4.9251 8.8605 120.9633 53.0548 39.6328 174.5611 150 V 4.1337 8.4354 122.2177 61.2425 34.5947 173.6322 151 Y 5.0805 8.7988 125.5756 56.5819 40.2906 174.6221 152 I 5.1301 8.9248 125.4011 59.7493 40.1302 174.6351 153 M 5.2136 8.9635 122.4642 53.1255 35.0440 174.4589 154 A 4.1840 8.6501 121.6919 52.3484 19.7251 177.1901 155 D 4.6420 8.8202 120.9958 51.7008 41.6952 176.2406 156 K 3.9245 8.5861 124.1083 59.2048 32.5141 179.4241 157 Q 4.0999 7.9925 115.9274 57.8526 28.9434 176.7293 158 K 4.3453 8.0438 114.9492 55.1848 32.3750 175.4079 159 N 4.3916 7.7918 116.0709 53.9589 38.7004 173.9433 160 G 3.6836 7.8217 106.6287 45.0147 0.0000 172.7553 161 I 5.1257 8.1561 116.2696 59.0831 41.7818 174.9003 162 K 5.1164 8.8977 121.6898 54.7281 35.9266 175.5800 163 V 5.0907 8.9421 122.4493 61.5629 35.6009 173.6553 164 N 5.4430 8.8485 123.9272 52.4415 42.8053 172.9381 165 F 5.0495 7.8566 117.1783 56.4790 41.6743 172.4862 166 K 4.8156 8.9851 119.2368 54.8013 34.4664 175.6030 167 I 4.1838 8.4177 124.5687 59.4562 39.9454 174.6618 168 R 4.9133 8.6346 125.4253 54.8543 32.0602 175.0649 169 H 4.7117 9.0964 122.6276 54.1329 30.7301 174.7092 170 N 4.8595 8.8041 121.3260 53.7955 39.5311 174.3158 171 I 4.7413 8.5535 124.6542 59.7794 38.8033 177.0007 172 E 4.2568 9.4182 123.4840 58.7739 29.3823 177.8313 173 D 4.4773 8.0184 116.4709 53.8187 39.7601 176.9416 174 G 3.9394 8.4660 109.4343 45.4220 0.0000 173.8741 175 S 4.6043 8.3158 114.6275 57.4551 64.5164 172.4183 176 V 4.9741 7.9528 111.1026 59.9557 35.7324 175.0818 177 Q 4.5412 9.1855 126.1199 54.4374 30.4384 174.6091 178 L 4.6861 8.5423 127.2071 54.5953 43.5131 176.2208 179 A 4.4991 9.1312 124.9414 50.1340 21.5062 174.6339 180 D 4.7691 8.8308 122.7831 54.6252 42.4571 175.6319 181 H 4.8868 8.6543 122.1371 54.1956 30.9016 173.8150 182 Y 4.8944 8.9085 120.7532 56.1941 41.2638 174.5301 183 Q 5.1631 9.0999 123.9397 54.7604 33.3442 173.4992 184 Q 5.0694 9.2764 122.9226 54.3889 33.6119 173.6927 185 N 6.3000 9.4150 120.0819 50.8828 42.5386 173.6198 186 T 5.2335 8.4236 111.0769 59.2800 72.5924 171.4243 187 P 4.9897 0.0000 0.0000 63.4030 31.8792 176.2525 188 I 4.0380 8.7464 122.9999 64.0060 37.9248 176.9542 189 G 3.9144 8.0071 109.3618 45.0068 0.0000 172.3947 190 D 4.7511 8.4464 116.2485 53.6805 41.5151 176.4193 191 G 3.8844 7.7160 106.6881 44.6668 0.0000 172.0122 192 P 4.4273 0.0000 0.0000 62.5987 31.9492 175.9388 193 V 4.4664 7.8828 112.2590 59.2464 35.3972 175.0561 194 L 4.2223 8.5810 122.2106 54.2251 42.0021 176.7962 195 L 4.6443 8.3565 123.9396 52.1794 42.9067 174.7100 196 P 4.6573 0.0000 0.0000 62.1290 32.3035 175.8894 197 D 4.6159 8.3140 119.3125 53.7111 41.5332 176.0085 198 N 4.7679 8.5256 118.2933 54.8955 39.1371 174.0674 199 H 4.9972 8.7652 117.3696 55.3158 32.7040 171.5460 200 Y 5.2190 8.4608 115.3168 55.4337 41.8768 173.9453 201 L 4.9121 8.7703 120.2758 53.1335 44.6300 175.7069 202 S 4.9984 8.9535 120.5662 57.6237 64.7527 172.8483 203 Y 5.2189 9.1023 122.3018 56.2891 41.4256 174.7800 204 Q 5.0681 9.0451 120.8769 54.4187 32.9404 174.5517 205 S 5.2213 8.9772 118.0866 56.7593 66.9791 173.1552 206 A 4.8435 9.2656 125.5175 50.1032 21.9502 174.7303 207 L 5.1422 8.5453 121.7175 53.2132 44.2740 175.8815 208 S 4.9045 9.1292 116.6030 57.4800 66.9706 172.4377 209 K 4.8971 8.5978 117.5339 54.7400 35.8715 175.6976 210 D 4.7120 8.8534 122.0770 52.0179 41.7880 175.5228 211 P 4.3683 0.0000 0.0000 64.8237 31.4678 176.5207 212 N 4.6257 8.5987 115.8691 52.9851 38.9370 174.0042 213 E 4.4254 8.0291 120.6075 54.5327 30.4734 175.6208 214 K 4.3409 8.4791 124.7191 56.6737 33.0616 176.9771 215 R 4.3355 8.0044 118.3051 55.1415 31.2079 175.3545 216 D 4.8542 8.5867 119.8397 54.7358 42.3148 174.7467 217 H 4.8709 8.4656 119.9128 55.0312 32.0444 172.1270 218 M 4.4813 7.9873 117.2765 53.3882 35.7996 173.3919 219 V 4.5886 8.7203 126.2413 61.4459 33.7488 174.0939 220 L 5.1384 9.3261 129.9055 53.1168 45.1020 174.4818 221 L 5.0855 8.9218 128.2850 53.2822 44.8814 174.8164 222 E 5.1946 8.7269 124.6025 54.5782 33.9627 174.5088 223 F 5.2593 9.1452 121.7800 55.7589 42.6417 174.6952 224 V 5.1035 8.6395 121.9531 61.0756 35.1009 173.8273 225 T 4.9916 8.1053 122.8904 61.6246 72.6074 173.1014 226 A 4.2416 8.5048 128.5267 52.1500 19.4579 176.5793 227 A 3.9455 8.4776 121.3539 51.0504 22.9372 177.6099 228 G 3.9360 9.7233 106.2999 45.7592 0.0000 174.4931 229 I 4.5188 7.0813 120.1409 59.1698 38.5692 175.2740 230 T 4.0538 8.3129 113.8219 61.6988 68.5899 174.9702 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 D 8.22 4.57 0.00 2.67 2.64 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 0.00 0.00 0.00 0.00 -1 P 0.00 4.12 0.00 2.12 2.10 0.00 3.71 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 2.02 2.18 0.00 0 M 8.33 4.12 0.00 2.33 2.01 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 1 V 7.90 3.48 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 0.87 0.00 0.00 2 S 8.30 4.21 0.00 3.89 3.86 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 3 K 7.72 3.94 0.00 1.79 1.99 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.43 7.81 4 G 8.13 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 5 E 7.97 3.82 0.00 2.42 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 0.00 2.34 2.38 0.00 6 E 8.64 3.94 0.00 2.24 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 2.30 2.35 0.00 7 L 7.78 3.93 0.00 1.71 0.93 0.70 0.21 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 8 F 8.54 4.87 0.00 3.24 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.16 4.00 4.28 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 1.30 0.00 0.00 10 G 7.09 4.44 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 0.00 11 V 8.41 4.22 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 0.81 0.00 0.00 0.98 0.00 0.00 12 V 8.91 4.65 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 1.07 0.00 0.00 13 P 0.00 4.87 0.00 2.16 2.16 0.00 3.89 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.03 0.00 14 I 8.70 5.10 1.73 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 1.07 0.96 0.95 0.00 0.00 15 L 8.82 5.22 0.00 1.72 1.45 0.99 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.81 5.03 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 1.27 0.00 0.00 1.08 0.00 0.00 17 E 9.23 5.31 0.00 1.94 1.82 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 2.25 2.39 0.00 18 L 9.50 5.31 0.00 1.92 1.74 0.83 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 19 D 9.11 5.04 0.00 2.53 2.42 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 20 G 8.55 3.44 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 0.00 21 D 8.25 4.93 0.00 2.54 2.42 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 22 V 8.88 4.86 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 0.54 0.00 0.00 0.93 0.00 0.00 23 N 10.27 4.25 0.00 2.97 2.94 0.00 0.00 7.15 8.12 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 24 G 8.69 3.84 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 25 H 8.07 4.39 0.00 3.38 3.30 0.00 5.61 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.36 5.07 0.00 1.65 1.69 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.18 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.58 7.81 27 F 8.26 4.94 0.00 3.01 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 28 S 9.00 5.18 0.00 3.82 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 29 V 8.97 5.10 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 1.22 0.00 0.00 1.28 0.00 0.00 30 S 9.15 5.43 0.00 3.85 3.73 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 0.00 0.00 0.00 31 G 9.72 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 32 E 8.69 5.03 0.00 1.71 1.66 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 2.12 2.13 0.00 33 G 8.22 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 34 E 8.51 4.94 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 35 G 8.82 3.39 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 0.00 0.00 0.00 36 D 9.23 5.21 0.00 2.83 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 37 A 9.06 4.48 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.22 3.68 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 0.62 0.00 0.00 39 Y 7.84 4.42 0.00 3.16 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 40 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 41 K 8.12 4.60 0.00 2.04 1.72 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.11 0.78 7.81 42 L 8.38 5.03 0.00 1.50 1.33 0.91 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.74 4.91 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 1.11 0.00 0.00 44 L 8.83 4.88 0.00 1.47 0.80 1.03 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.53 4.67 0.00 1.59 1.38 0.00 1.46 0.00 0.00 1.51 0.00 0.00 2.72 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.13 1.25 7.81 46 F 8.93 5.12 0.00 2.62 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 47 I 8.80 5.01 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.85 0.99 0.00 0.00 48 C 9.76 5.06 0.00 3.18 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 49 T 9.09 4.56 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 1.34 0.00 0.00 50 T 8.03 4.52 4.31 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 1.28 0.00 0.00 51 G 7.74 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.69 4.23 0.00 1.72 1.69 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.33 1.38 7.81 53 L 8.77 3.73 0.00 1.12 1.10 0.10 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.42 0.00 1.93 1.97 0.00 2.52 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.84 0.00 55 V 6.34 4.07 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 0.34 0.00 0.00 0.42 0.00 0.00 56 P 0.00 4.40 0.00 2.14 1.99 0.00 3.35 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 1.96 1.94 0.00 57 W 9.11 4.31 0.00 3.75 3.47 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 58 P 0.00 4.52 0.00 2.27 2.37 0.00 3.73 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.23 0.00 59 T 7.91 4.18 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 1.05 0.00 0.00 60 L 8.03 4.32 0.00 1.39 0.60 0.66 0.70 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 61 V 7.58 3.60 1.91 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 0.49 0.00 0.00 0.89 0.00 0.00 62 T 7.95 4.08 4.44 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 1.35 0.00 0.00 63 T 7.01 4.10 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 1.07 0.00 0.00 64 F 7.63 4.80 0.00 2.75 2.73 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 0.00 0.00 0.00 *68 L 7.56 4.38 0.00 1.96 2.11 1.04 1.11 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 69 M 7.76 3.91 0.00 0.57 0.85 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 2.63 2.53 0.00 70 C 7.50 4.09 0.00 2.39 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.26 4.43 0.00 3.26 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 72 A 7.59 4.20 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 73 R 8.68 4.33 0.00 2.08 1.78 0.00 3.01 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 74 Y 8.59 4.51 0.00 2.82 2.89 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 75 P 0.00 4.20 0.00 1.94 1.99 0.00 3.45 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 2.06 2.00 0.00 76 D 9.08 4.38 0.00 2.75 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 77 H 8.25 4.42 0.00 3.31 3.41 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 M 8.03 4.71 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.43 0.00 79 K 7.99 3.91 0.00 1.78 1.80 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.73 1.60 7.81 80 Q 7.93 4.11 0.00 1.82 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 81 H 8.02 4.72 0.00 3.21 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.09 3.69 0.00 1.58 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 0.00 0.00 0.00 83 F 8.14 3.93 0.00 3.03 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 0.00 0.00 0.00 0.00 84 F 7.33 3.91 0.00 3.11 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 85 K 8.05 4.07 0.00 1.63 1.77 0.00 1.56 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.30 1.02 7.81 86 S 7.23 4.06 0.00 3.92 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 87 A 7.59 4.07 1.22 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 88 M 7.24 4.85 0.00 2.43 2.45 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.15 3.02 0.00 89 P 0.00 4.80 0.00 2.29 2.21 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.94 0.00 90 E 8.17 3.88 0.00 1.99 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 2.34 2.40 0.00 91 G 9.39 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 92 Y 8.01 5.37 0.00 3.40 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 93 V 9.44 4.68 2.22 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 1.05 0.00 0.00 1.02 0.00 0.00 94 Q 9.51 5.23 0.00 2.51 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.55 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 95 E 9.34 5.35 0.00 1.98 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 2.33 0.00 96 R 9.03 5.25 0.00 1.72 1.76 0.00 3.14 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 97 T 8.68 4.79 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 98 I 8.59 4.30 1.62 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.79 -0.02 0.00 0.00 99 F 8.71 4.72 0.00 2.86 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 0.00 100 F 8.60 4.67 0.00 3.20 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 0.00 101 K 8.86 4.05 0.00 1.70 1.76 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.48 7.81 102 D 8.91 4.49 0.00 2.88 2.73 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 0.00 0.00 0.00 103 D 7.98 4.43 0.00 2.62 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.40 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 0.00 0.00 0.00 105 N 7.78 5.39 0.00 2.59 2.76 0.00 0.00 7.32 6.88 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 0.00 106 Y 8.72 5.67 0.00 2.93 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 K 9.34 5.18 0.00 1.64 1.66 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.26 1.45 7.81 108 T 9.07 5.15 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 0.00 109 R 8.93 5.07 0.00 1.89 1.77 0.00 3.06 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 110 A 9.14 5.27 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 0.00 111 E 9.07 5.01 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 112 V 8.28 4.81 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 0.00 0.00 0.85 0.00 0.00 0.98 0.00 0.00 113 K 8.38 4.72 0.00 2.08 1.78 0.00 1.38 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 1.40 7.81 114 F 8.49 4.48 0.00 2.96 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 0.00 115 E 9.37 4.52 0.00 1.94 1.88 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 2.21 2.36 0.00 116 G 8.22 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 0.00 117 D 8.83 4.60 0.00 2.71 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 0.00 118 T 7.72 4.69 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 1.21 0.00 0.00 119 L 9.00 3.93 0.00 1.34 1.60 1.01 0.02 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 0.00 120 V 8.76 4.89 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 0.89 0.00 0.00 0.97 0.00 0.00 121 N 9.24 5.07 0.00 2.92 2.76 0.00 0.00 6.84 8.45 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 0.00 122 R 8.85 5.18 0.00 1.81 1.84 0.00 3.13 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 123 I 9.03 5.12 1.95 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.87 0.91 0.00 0.00 124 E 9.24 5.02 0.00 1.85 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 2.20 2.20 0.00 125 L 8.95 5.19 0.00 1.47 1.20 0.46 -0.29 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 0.00 126 K 9.27 4.86 0.00 1.84 1.62 0.00 1.48 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.41 7.81 127 G 9.60 5.62 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 0.00 128 I 8.11 5.21 1.93 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 1.40 0.83 0.98 0.00 0.00 129 D 8.87 4.42 0.00 2.75 2.73 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 0.00 0.00 0.00 130 F 8.41 4.50 0.00 3.27 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 0.00 131 K 10.08 4.24 0.00 1.82 1.77 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.42 7.81 132 E 7.84 3.76 0.00 1.99 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 2.34 2.33 0.00 133 D 7.87 4.88 0.00 2.73 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 0.00 134 G 7.84 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 0.00 0.00 0.00 135 N 8.69 4.33 0.00 2.87 2.88 0.00 0.00 6.84 7.47 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 0.00 136 I 7.25 3.76 1.60 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.02 0.24 0.00 0.00 137 L 7.55 3.76 0.00 1.78 1.61 0.94 0.59 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 0.00 138 G 8.02 3.75 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 0.00 139 H 7.45 3.91 0.00 3.24 3.29 0.00 5.62 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 K 8.25 4.69 0.00 1.82 1.87 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.52 7.81 141 L 7.70 5.01 0.00 1.56 1.62 0.85 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 142 E 9.30 4.19 0.00 2.04 1.95 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 2.39 2.38 0.00 143 Y 8.52 4.70 0.00 3.09 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 0.00 144 N 7.61 4.85 0.00 2.86 2.83 0.00 0.00 6.08 7.55 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 0.00 145 Y 8.12 4.48 0.00 2.91 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 0.00 146 N 8.00 4.89 0.00 2.57 2.56 0.00 0.00 7.06 7.57 0.00 0.00 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 S 8.28 4.77 0.00 3.78 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 0.00 148 H 8.75 4.83 0.00 3.14 3.08 0.00 5.81 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 N 8.86 4.93 0.00 2.35 1.84 0.00 0.00 6.79 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 0.00 150 V 8.44 4.13 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 0.94 0.00 0.00 -0.21 0.00 0.00 151 Y 8.80 5.08 0.00 3.09 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 0.00 152 I 8.92 5.13 1.67 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.23 0.95 0.00 0.00 153 M 8.96 5.21 0.00 2.10 2.17 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 2.48 2.63 0.00 154 A 8.65 4.18 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 D 8.82 4.64 0.00 2.63 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 0.00 0.00 0.00 0.00 156 K 8.59 3.92 0.00 1.90 1.86 0.00 1.59 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.54 7.81 157 Q 7.99 4.10 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.10 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 158 K 8.04 4.35 0.00 1.71 1.83 0.00 2.05 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.40 7.81 159 N 7.79 4.39 0.00 2.80 2.89 0.00 0.00 6.81 9.25 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 0.00 160 G 7.82 3.68 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 0.00 0.00 0.00 161 I 8.16 5.13 1.70 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.74 0.43 0.00 0.00 162 K 8.90 5.12 0.00 1.71 1.74 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.32 7.81 163 V 8.94 5.09 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 1.28 0.00 0.00 1.09 0.00 0.00 164 N 8.85 5.44 0.00 2.73 2.61 0.00 0.00 6.75 7.47 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 0.00 165 F 7.86 5.05 0.00 3.17 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 0.00 166 K 8.99 4.82 0.00 1.67 1.73 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.72 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.37 7.81 167 I 8.42 4.18 1.74 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.00 0.37 0.00 0.00 168 R 8.63 4.91 0.00 1.66 1.84 0.00 3.20 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 169 H 9.10 4.71 0.00 3.09 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 N 8.80 4.86 0.00 2.83 2.87 0.00 0.00 7.09 7.67 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 0.00 171 I 8.55 4.74 2.01 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 1.32 0.70 0.95 0.00 0.00 172 E 9.42 4.26 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.24 0.00 173 D 8.02 4.48 0.00 2.80 2.83 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 0.00 174 G 8.47 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 0.00 175 S 8.32 4.60 0.00 3.87 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 0.00 176 V 7.95 4.97 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 0.75 0.00 0.00 0.94 0.00 0.00 177 Q 9.19 4.54 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.01 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 178 L 8.54 4.69 0.00 1.65 1.54 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 179 A 9.13 4.50 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 0.00 180 D 8.83 4.77 0.00 2.94 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 0.00 181 H 8.65 4.89 0.00 1.64 2.27 0.00 5.75 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 Y 8.91 4.89 0.00 2.95 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 Q 9.10 5.16 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.77 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 184 Q 9.28 5.07 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.51 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 185 N 9.42 6.30 0.00 2.31 2.71 0.00 0.00 6.37 7.22 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 0.00 186 T 8.42 5.23 4.33 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 1.29 0.00 0.00 187 P 0.00 4.99 0.00 2.34 2.16 0.00 3.64 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 2.12 2.36 0.00 188 I 8.75 4.04 2.14 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 1.23 0.65 0.95 0.00 0.00 189 G 8.01 3.91 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 0.00 0.00 0.00 190 D 8.45 4.75 0.00 2.63 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 0.00 191 G 7.72 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 0.00 192 P 0.00 4.43 0.00 2.18 2.07 0.00 3.71 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 1.98 1.98 0.00 193 V 7.88 4.47 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 1.14 0.00 0.00 194 L 8.58 4.22 0.00 1.51 1.70 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 195 L 8.36 4.64 0.00 1.63 1.60 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 196 P 0.00 4.66 0.00 2.33 2.37 0.00 3.72 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 2.00 1.97 0.00 197 D 8.31 4.62 0.00 2.50 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 N 8.53 4.77 0.00 2.67 2.88 0.00 0.00 6.75 8.16 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 0.00 199 H 8.77 5.00 0.00 3.37 3.37 0.00 5.21 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 Y 8.46 5.22 0.00 2.63 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 0.00 201 L 8.77 4.91 0.00 1.67 1.44 0.95 0.87 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 0.00 202 S 8.95 5.00 0.00 3.75 3.86 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 0.00 203 Y 9.10 5.22 0.00 3.03 2.83 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 0.00 204 Q 9.05 5.07 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 205 S 8.98 5.22 0.00 3.66 3.52 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 0.00 206 A 9.27 4.84 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 0.00 207 L 8.55 5.14 0.00 1.03 0.86 0.63 0.69 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 0.00 208 S 9.13 4.90 0.00 3.87 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 0.00 209 K 8.60 4.90 0.00 1.60 1.70 0.00 1.29 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.14 1.12 7.81 210 D 8.85 4.71 0.00 2.69 2.38 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 0.00 211 P 0.00 4.37 0.00 2.20 2.16 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 212 N 8.60 4.63 0.00 2.79 2.85 0.00 0.00 6.78 7.44 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 0.00 213 E 8.03 4.43 0.00 1.84 1.59 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 1.80 2.33 0.00 214 K 8.48 4.34 0.00 1.78 1.83 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.38 7.81 215 R 8.00 4.34 0.00 1.93 1.93 0.00 3.19 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 216 D 8.59 4.85 0.00 2.87 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 0.00 217 H 8.47 4.87 0.00 3.16 3.16 0.00 5.55 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 M 7.99 4.48 0.00 1.46 1.04 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 219 V 8.72 4.59 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 0.91 0.00 0.00 0.92 0.00 0.00 220 L 9.33 5.14 0.00 1.88 1.69 0.84 0.72 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 0.00 221 L 8.92 5.09 0.00 1.70 1.45 0.65 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 222 E 8.73 5.19 0.00 1.85 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 2.23 2.27 0.00 223 F 9.15 5.26 0.00 2.95 2.89 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 0.00 224 V 8.64 5.10 1.19 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 -0.03 0.00 0.00 0.02 0.00 0.00 225 T 8.11 4.99 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 1.15 0.00 0.00 226 A 8.50 4.24 0.11 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 0.00 227 A 8.48 3.95 0.73 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 0.00 0.00 0.00 0.00 0.00 228 G 9.72 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 0.00 229 I 7.08 4.52 1.86 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.68 0.98 0.00 0.00 230 T 8.31 4.05 4.23 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 1.24 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.