NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 D 4.6821 8.3644 120.5692 53.5598 42.9157 174.8219 10 F 4.2251 8.4709 123.1097 57.9025 39.8652 173.4172 11 C 4.9835 7.3884 126.7968 58.6341 29.7714 173.0287 12 G 4.1358 6.4889 106.9779 43.7822 0.0000 173.7671 13 A 4.8355 8.2785 123.0257 50.6089 22.2597 176.3516 14 I 4.3316 8.5721 122.2595 62.1056 38.2627 176.1260 15 I 4.6621 7.3668 111.4118 58.2669 41.0668 173.8537 16 P 3.2698 0.0000 0.0000 60.8057 30.0745 174.8940 17 D 4.8053 6.2990 116.9976 54.4132 45.1332 174.4920 18 N 4.1379 8.3848 123.1843 53.0157 36.4717 174.9148 19 F 4.1555 7.7454 115.1598 59.4432 40.1190 178.0040 20 F 3.1904 8.2588 121.9440 58.5535 36.3095 173.1035 21 P 4.6425 0.0000 0.0000 62.5287 32.1762 177.6314 22 I 4.5387 8.7120 123.7975 59.1171 37.4731 176.4248 23 E 4.4856 8.4410 125.2942 60.3985 29.7969 178.5492 24 K 4.4286 8.0815 117.1092 58.4665 32.2327 178.9645 25 L 4.0377 7.6679 119.5497 57.4219 41.0470 179.2267 26 R 4.0990 7.7362 117.5421 59.3206 30.0755 177.8682 27 N 4.4234 7.8836 113.8436 54.2884 38.8178 175.1045 28 Y 4.7915 7.5618 117.8400 57.6716 39.2826 177.6270 29 T 4.1400 7.9908 112.8284 64.4995 69.1839 176.3752 30 Q 4.0440 8.2605 120.5151 59.0454 28.7343 177.3713 31 M 4.3421 8.2694 115.3994 56.0887 32.7365 175.9039 32 G 4.0059 7.4959 106.7695 44.3558 0.0000 172.1807 33 L 4.7961 8.0870 120.7018 52.7420 44.5236 176.3418 34 I 4.4869 8.3889 125.7335 61.2637 37.9633 175.8717 35 R 4.4849 9.2609 125.8759 54.4195 33.8376 174.0456 36 D 5.4443 8.3826 122.7440 52.5582 43.7623 175.7194 37 F 4.8101 9.2226 120.0388 55.3416 42.7008 174.6801 38 A 4.4226 8.7528 125.3737 51.3093 19.7684 176.5781 39 K 4.0782 8.5898 121.0654 58.3189 32.5426 177.4363 40 G 4.0079 9.4557 115.3546 44.9948 0.0000 173.4524 41 S 4.7567 7.8615 114.5308 57.2790 65.4168 173.2207 42 A 4.4914 8.4918 123.3286 51.7360 18.5140 177.6338 43 V 2.6670 8.3153 123.9741 64.7159 32.6026 176.4934 44 I 4.8434 7.3609 121.0258 59.6582 40.3847 175.1988 45 M 4.7969 9.6278 127.5790 53.9122 33.4876 174.5644 46 P 4.6811 0.0000 0.0000 64.2723 31.9135 177.3013 47 G 3.9003 9.9507 110.7277 45.6142 0.0000 173.2868 48 E 4.1629 8.0681 121.2263 55.5089 30.2425 175.6247 49 E 4.3981 8.7480 125.9120 55.4724 30.2510 175.5831 50 I 4.6309 8.3389 125.1640 59.8596 39.5046 176.0774 51 T 4.7914 8.2272 114.7207 59.2095 68.7634 173.5649 52 S 4.8537 7.7624 115.2804 58.2050 68.0145 175.5792 53 M 4.4276 8.9889 122.9650 55.2649 33.5368 175.5541 54 I 4.5697 8.5818 123.7245 59.4448 40.0700 174.2459 55 F 5.0917 9.3237 131.1448 57.1121 41.1528 174.5310 56 L 4.3297 8.2481 129.3240 54.0090 41.7672 177.1186 57 V 3.5364 8.4211 127.8699 65.4983 32.0950 176.0947 58 E 4.5279 7.9987 115.9708 56.0774 32.2292 173.2712 59 G 4.2082 8.5105 106.5627 44.0237 0.0000 172.5952 60 K 4.7314 8.6797 121.5332 55.6151 36.3857 175.4118 61 I 5.0036 9.0794 128.1597 59.3535 41.1519 174.1368 62 K 4.3854 8.6744 127.6103 54.6624 34.0097 174.5298 63 L 4.8123 8.3309 129.8412 53.2567 44.6657 174.8467 64 D 5.3309 8.8174 125.1147 52.4708 45.4812 174.3093 65 I 4.6458 8.3845 120.4893 59.4427 40.3700 174.2412 66 I 4.8928 8.1770 129.2098 59.5658 39.6657 175.8664 67 F 4.5593 9.1030 128.5357 56.6614 40.3835 177.2527 68 E 4.0227 9.2005 118.1214 59.4841 29.1600 177.7758 69 D 4.5167 8.0668 115.4312 53.9964 39.3614 177.0890 70 G 3.9851 8.2390 109.4380 45.0470 0.0000 174.2021 71 S 4.3988 8.6529 115.8438 58.5266 64.1997 173.0299 72 E 5.1794 8.7651 122.4069 54.4795 32.4438 174.7512 73 K 4.7613 8.7526 124.8857 53.9611 36.4122 175.4455 74 L 4.5474 8.6065 125.5335 55.7317 41.9837 176.0475 75 L 4.6986 8.6695 126.8415 56.2176 42.7010 176.0863 76 Y 4.8387 7.0563 113.9121 56.6887 41.1613 172.1694 77 Y 5.1046 8.6217 117.4091 56.5808 41.0544 174.9466 78 A 4.9159 9.2915 123.1258 50.6553 22.9315 175.8296 79 G 4.1073 8.8490 111.9163 43.4313 0.0000 171.8433 80 G 3.7070 8.5586 108.4706 47.6925 0.0000 173.4500 81 N 4.4170 8.8747 120.7742 53.2243 37.1727 174.5369 82 S 4.4904 7.8665 115.2736 58.3168 64.5072 172.8381 83 L 4.9999 8.2509 122.5251 53.5809 44.8675 175.3984 84 I 4.5212 8.6164 127.5735 58.8598 38.7869 176.0699 85 G 4.1185 8.5801 115.5409 45.6561 0.0000 174.2110 86 K 4.5511 7.5255 118.4319 55.3416 30.0442 178.5282 87 L 3.8846 7.8065 123.0669 57.3198 42.9868 175.6102 88 Y 4.9197 7.3178 113.7027 55.2716 41.9782 172.9432 89 P 4.4581 0.0000 0.0000 63.2967 31.8760 176.5649 90 T 4.4391 8.6754 110.1984 60.8288 70.4885 175.1887 91 G 3.9928 8.4714 109.9965 45.2277 0.0000 173.1754 92 N 4.5597 7.5062 116.6629 52.3417 39.6729 174.0644 93 N 4.6839 8.4433 120.9252 52.9187 40.1238 173.5384 94 I 4.9023 8.3231 126.7723 59.6423 40.3273 174.7485 95 Y 5.0140 8.9520 126.0563 56.0213 41.7672 173.6521 96 A 4.9650 8.5659 129.3051 50.0798 21.9163 174.8009 97 T 4.7442 8.2709 112.2347 59.4091 72.5940 173.1004 98 A 4.7269 8.6826 126.2256 52.2842 19.1838 178.0324 99 M 4.5543 9.1977 122.9752 56.4629 33.0003 175.5336 100 E 4.6901 7.8201 115.7412 54.3827 33.3782 172.4575 101 P 4.5651 0.0000 0.0000 63.8305 31.9723 176.3878 102 T 4.8389 9.1911 120.8061 61.8212 72.5370 172.6994 103 R 5.1570 9.0805 127.7232 54.9590 32.0355 175.0646 104 T 5.2790 9.0782 115.8655 60.0276 72.8960 172.2715 105 C 5.2327 9.2462 122.8775 57.6052 34.4565 172.5176 106 W 4.9497 9.3810 127.4133 55.4900 30.6631 175.3443 107 F 5.2336 9.4915 124.7286 54.5587 40.6746 175.9801 108 S 4.7425 8.7000 118.8985 57.5812 64.0720 174.9436 109 E 3.8748 8.8126 120.3325 59.3319 29.1946 178.3854 110 K 3.9056 8.0952 119.3659 59.5565 32.1487 178.6289 111 S 4.1586 8.1663 114.4852 61.5474 62.7948 176.4624 112 L 3.3265 8.0892 122.7660 57.1783 41.1513 179.5208 113 R 3.8281 7.9684 118.0885 59.7513 29.4877 179.2469 114 T 3.8162 7.6142 114.9300 66.3120 68.3926 176.9362 115 V 3.3140 7.4914 120.1565 66.1031 31.2926 178.2528 116 F 4.6650 7.3746 116.1383 60.5852 38.7690 177.6932 117 R 4.0680 8.1618 117.1917 59.0916 29.8139 178.5735 118 T 4.5356 7.2097 113.7392 64.4398 69.7479 174.5033 119 D 4.5029 8.4388 121.7488 51.1554 42.2949 174.4494 120 E 3.8968 8.8781 127.3483 59.5448 29.3956 178.0971 121 D 4.5691 8.1243 118.0843 57.5195 40.8924 178.4002 122 M 4.0436 8.1399 119.3361 58.0160 31.7350 178.5015 123 I 2.3772 6.8708 119.8354 64.2008 37.0285 178.3554 124 F 3.8461 7.3892 117.5443 60.1565 38.8486 177.5968 125 E 4.0034 7.9817 118.0810 59.5119 29.2144 179.4995 126 I 3.6382 7.5222 119.7674 64.1639 37.1057 178.2437 127 F 4.5657 8.0443 119.0829 60.8594 38.7073 177.8059 128 K 3.6124 8.1339 117.8974 59.2438 31.5970 178.8023 129 N 4.2740 7.8284 117.0492 56.9135 38.8519 176.2260 130 Y 4.2322 7.9098 118.0953 61.1779 37.9427 178.5636 131 L 3.8864 8.3388 121.2910 58.5504 42.1722 178.9971 132 T 4.3930 7.8136 116.9659 65.9762 68.3999 176.6003 133 K 3.1873 7.4698 119.7579 59.1826 32.0525 179.3870 134 V 3.6283 7.9488 118.2312 66.1474 31.5251 177.7062 135 A 3.9654 8.1959 120.6794 55.3848 18.1610 178.7826 136 Y 3.7461 8.0671 117.8969 61.2309 38.8608 178.1154 137 Y 4.0824 7.9876 117.2324 60.7842 38.1649 178.0993 138 A 4.0008 8.4905 122.2583 55.1719 18.5257 179.6412 139 R 3.7931 7.8111 117.0838 59.4556 30.0455 178.4709 140 Q 3.7800 7.8197 119.2811 59.1377 29.1231 177.9699 141 V 3.5674 7.9033 119.1074 66.3399 31.3971 177.6958 142 A 3.9452 7.8602 119.5668 55.1378 18.1593 179.0476 143 E 3.9858 8.6509 118.0623 59.9911 29.5172 178.9991 144 M 4.0780 8.1599 117.4661 58.2902 32.0943 177.7041 145 N 4.6182 7.8281 113.7196 54.2604 38.9961 175.5765 146 T 4.1471 7.1190 115.8521 63.9672 70.7214 174.1236 147 Y 4.9047 7.7094 117.6482 55.6548 40.6008 175.9792 148 N 4.7020 8.5774 121.3750 51.6819 39.8038 174.3656 149 P 4.2643 0.0000 0.0000 66.1531 31.4795 178.8467 150 T 3.8808 7.9865 107.6955 65.1314 68.4914 176.2854 151 I 3.7239 8.3043 122.8780 63.8956 37.1333 178.5204 152 R 3.8970 8.2020 119.0090 59.3219 30.0105 179.1074 153 I 3.5261 7.7212 119.4434 64.4024 37.0387 178.5409 154 L 4.2519 7.8693 119.4748 57.9531 41.4238 179.8105 155 R 3.9557 8.3262 118.4169 58.9309 29.8422 178.9045 156 L 3.9211 7.8117 120.2174 58.1552 42.0230 179.1106 157 F 4.4532 7.9276 117.3615 60.7503 38.7926 177.0173 158 Y 4.1032 8.4530 119.3781 60.7969 38.6222 178.0019 159 E 3.7625 8.6425 119.8310 59.4465 29.6094 179.4082 160 L 3.9906 8.1273 119.1060 57.6892 41.5366 179.2103 161 C 3.9752 8.3367 119.0030 62.7206 31.3702 175.7694 162 S 3.8168 7.5615 115.7690 61.1959 62.3227 176.4557 163 S 4.4557 7.8430 118.3446 60.8211 63.4653 175.4956 164 Q 4.5838 7.8490 118.3008 54.4477 30.1597 177.6122 165 G 3.8845 8.4262 107.5913 46.9282 0.0000 173.7040 166 K 4.7057 8.9737 124.8095 54.1939 34.3484 175.7704 167 R 3.8127 8.6863 126.3048 56.5122 30.6835 176.3037 168 V 4.1352 8.6697 126.6953 61.3421 33.2884 175.9154 169 G 3.7967 8.0182 119.6016 47.1270 0.0000 171.8779 170 D 4.7744 8.6863 121.6014 54.3691 41.1788 175.5654 171 T 4.9480 7.4847 108.3827 60.4978 73.0979 171.7755 172 Y 5.0287 9.1250 119.7170 56.2141 41.4744 174.6037 173 E 5.0502 9.2266 123.3983 54.7071 32.2256 174.9213 174 I 4.5039 8.7214 126.6713 60.2639 38.4757 175.9772 175 T 4.3438 8.2792 125.1732 62.7171 68.1253 173.8375 176 M 4.3402 7.7420 120.3486 53.5525 33.2127 173.1328 177 P 4.3676 0.0000 0.0000 62.7175 32.1047 176.5239 178 L 4.4286 8.0380 124.4536 52.7049 42.9309 175.6084 179 S 4.4564 8.2252 120.2060 57.4899 65.4406 174.7797 180 Q 4.0537 8.6626 121.8620 59.1399 28.4753 178.9737 181 K 3.8612 8.1773 120.0341 59.8978 32.0321 178.5257 182 S 4.4385 8.2273 114.6929 60.7780 62.2388 176.0051 183 I 3.7517 7.9677 122.7608 64.2892 36.8182 178.5916 184 G 3.6330 8.1753 106.3605 48.0280 0.0000 175.0485 185 E 4.0204 8.1564 121.4207 59.4147 29.3093 179.3540 186 I 3.8718 7.9952 119.3020 65.0854 37.4970 178.4590 187 T 4.1389 8.2053 108.5365 61.9168 69.6676 174.3070 188 G 3.9428 8.2371 109.7791 47.0306 0.0000 173.7133 189 V 4.4264 7.3961 115.9903 60.4145 34.7244 175.2141 190 H 4.4725 8.5744 123.2215 56.0796 30.5812 176.1674 191 H 4.2248 8.8853 123.1935 59.3857 29.7833 177.8912 192 V 3.5594 7.8638 120.4732 65.4255 31.0133 178.4433 193 T 3.9275 7.8555 115.9712 65.9644 68.4153 176.7474 194 V 3.6206 7.8410 120.2484 66.2009 31.4627 178.2519 195 S 4.2256 8.1298 114.7916 61.5958 62.6350 176.7065 196 R 3.8709 8.0443 121.2949 59.3792 29.8547 178.7440 197 V 3.6175 7.9690 118.0066 66.1243 31.7140 177.9865 198 L 4.0715 8.1375 118.5184 57.7704 41.3660 179.4259 199 A 4.0305 8.4078 121.1109 55.1504 18.3347 179.6120 200 S 4.0429 8.5570 112.1453 61.5768 62.3872 176.4592 201 L 4.0548 8.0478 121.7763 57.4574 41.3111 179.4615 202 K 4.0701 8.0469 119.5117 59.4870 31.9942 178.7846 203 R 3.9377 8.0258 118.0226 59.1841 30.0074 177.3107 204 E 4.3530 8.0638 115.2114 55.2696 29.9026 175.6993 205 N 4.2388 7.8919 115.3778 54.6400 37.0129 175.8069 206 I 4.2418 8.3037 119.9190 63.0077 38.1933 175.9947 207 L 4.7810 7.5852 119.3825 53.7217 45.2516 173.8403 208 D 4.7964 9.1330 126.4395 52.4483 43.5515 174.3454 209 K 4.4615 8.4669 128.2807 55.0529 33.4856 175.7133 *214 I 4.0233 8.1934 127.5802 61.3455 39.0786 174.4449 215 I 4.5157 8.1395 128.3821 59.5929 39.1846 175.0554 216 V 4.3003 8.6333 128.7778 61.9011 31.7078 175.8689 217 Y 4.3454 8.9274 127.7332 60.1703 38.9180 175.7133 218 N 4.9049 8.1316 117.2281 50.4183 39.7896 173.7779 219 L 4.1415 8.5958 126.6101 57.5836 42.3134 178.4543 220 G 3.6254 8.1840 105.3724 47.8427 0.0000 175.4710 221 E 4.0072 8.5932 121.2316 58.8529 29.4230 178.8972 222 L 3.9617 8.0608 120.4925 58.1595 41.8661 178.9762 223 K 3.3180 8.0828 118.3268 59.5313 32.3307 177.7577 224 H 4.3247 8.2307 118.3765 59.4583 29.5750 176.9680 225 L 3.9045 8.4332 120.4210 57.8606 41.6339 179.5326 226 S 4.1871 8.1532 112.3261 60.1509 62.8657 174.6459 227 E 4.2788 7.8523 127.2029 56.4484 29.6676 175.3084 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 D 8.36 4.68 0.00 2.77 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 10 F 8.47 4.23 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 11 C 7.39 4.98 0.00 2.75 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 6.49 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 13 A 8.28 4.84 1.45 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 0.00 0.00 14 I 8.57 4.33 1.92 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 1.54 0.73 0.96 0.00 0.00 15 I 7.37 4.66 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.51 0.92 0.00 0.00 16 P 0.00 3.27 0.00 2.29 1.78 0.00 3.56 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 2.02 2.01 0.00 17 D 6.30 4.81 0.00 2.45 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 18 N 8.38 4.14 0.00 2.78 2.75 0.00 0.00 6.98 6.90 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 19 F 7.75 4.16 0.00 2.82 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 20 F 8.26 3.19 0.00 3.13 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 21 P 0.00 4.64 0.00 2.16 2.02 0.00 3.42 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 1.85 1.91 0.00 22 I 8.71 4.54 1.99 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 1.41 1.90 0.98 0.00 0.00 23 E 8.44 4.49 0.00 1.97 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 0.00 2.32 1.85 0.00 24 K 8.08 4.43 0.00 1.87 2.00 0.00 1.71 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.58 7.81 25 L 7.67 4.04 0.00 0.76 0.51 0.58 0.80 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 26 R 7.74 4.10 0.00 1.91 2.12 0.00 3.27 0.00 0.00 3.33 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.20 0.00 27 N 7.88 4.42 0.00 2.24 2.23 0.00 0.00 6.80 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 7.56 4.79 0.00 3.02 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 29 T 7.99 4.14 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 1.50 0.00 0.00 30 Q 8.26 4.04 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.02 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 31 M 8.27 4.34 0.00 2.12 2.48 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.55 0.00 32 G 7.50 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 0.00 0.00 0.00 33 L 8.09 4.80 0.00 1.54 1.48 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.39 4.49 1.85 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.74 0.91 0.00 0.00 35 R 9.26 4.48 0.00 1.76 1.37 0.00 2.45 0.00 0.00 2.70 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.07 0.00 36 D 8.38 5.44 0.00 2.37 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 37 F 9.22 4.81 0.00 2.99 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 38 A 8.75 4.42 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 39 K 8.59 4.08 0.00 1.75 1.77 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.47 7.81 40 G 9.46 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 0.00 0.00 0.00 41 S 7.86 4.76 0.00 4.09 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.49 4.49 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.32 2.67 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 0.51 0.00 0.00 0.22 0.00 0.00 44 I 7.36 4.84 1.81 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.55 1.00 0.00 0.00 45 M 9.63 4.80 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.62 0.00 46 P 0.00 4.68 0.00 1.92 1.85 0.00 3.71 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 1.66 1.47 0.00 47 G 9.95 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 48 E 8.07 4.16 0.00 2.03 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 0.00 2.42 2.35 0.00 49 E 8.75 4.40 0.00 2.04 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 2.31 2.35 0.00 50 I 8.34 4.63 1.88 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.85 0.93 0.00 0.00 51 T 8.23 4.79 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 52 S 7.76 4.85 0.00 3.73 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 53 M 8.99 4.43 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 54 I 8.58 4.57 1.49 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.05 0.42 0.00 0.00 55 F 9.32 5.09 0.00 3.37 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.25 4.33 0.00 1.59 1.42 0.91 0.63 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 57 V 8.42 3.54 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 0.87 0.00 0.00 1.14 0.00 0.00 58 E 8.00 4.53 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 59 G 8.51 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.68 4.73 0.00 1.82 1.61 0.00 1.52 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.38 1.53 7.81 61 I 9.08 5.00 1.85 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.59 0.76 0.00 0.00 62 K 8.67 4.39 0.00 1.92 1.55 0.00 1.65 0.00 0.00 1.51 0.00 0.00 2.66 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.18 0.68 7.81 63 L 8.33 4.81 0.00 1.24 0.74 0.63 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.82 5.33 0.00 2.69 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 65 I 8.38 4.65 1.64 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.28 0.69 0.00 0.00 66 I 8.18 4.89 1.78 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 1.18 0.75 0.91 0.00 0.00 67 F 9.10 4.56 0.00 3.31 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 68 E 9.20 4.02 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.90 0.00 69 D 8.07 4.52 0.00 2.78 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 70 G 8.24 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.65 4.40 0.00 4.04 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 72 E 8.77 5.18 0.00 1.96 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 2.28 2.48 0.00 73 K 8.75 4.76 0.00 1.74 1.69 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.68 7.81 74 L 8.61 4.55 0.00 1.56 1.59 0.34 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.67 4.70 0.00 1.42 1.71 0.73 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.06 4.84 0.00 2.84 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 77 Y 8.62 5.10 0.00 3.23 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 78 A 9.29 4.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.85 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 80 G 8.56 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 0.00 0.00 0.00 81 N 8.87 4.42 0.00 2.97 3.17 0.00 0.00 6.63 8.11 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 82 S 7.87 4.49 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 83 L 8.25 5.00 0.00 1.72 1.65 1.06 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.62 4.52 1.75 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 1.28 1.60 0.87 0.00 0.00 85 G 8.58 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 86 K 7.53 4.55 0.00 1.66 1.77 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.72 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.45 7.81 87 L 7.81 3.88 0.00 1.59 1.20 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 7.32 4.92 0.00 3.00 2.79 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 89 P 0.00 4.46 0.00 2.09 2.04 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 90 T 8.68 4.44 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 91 G 8.47 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 N 7.51 4.56 0.00 2.71 2.64 0.00 0.00 6.87 7.46 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 93 N 8.44 4.68 0.00 2.80 2.83 0.00 0.00 6.98 7.70 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 94 I 8.32 4.90 1.82 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.97 0.85 0.00 0.00 95 Y 8.95 5.01 0.00 2.82 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 96 A 8.57 4.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.27 4.74 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 0.34 0.00 0.00 98 A 8.68 4.73 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 99 M 9.20 4.55 0.00 1.89 2.14 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.66 0.00 100 E 7.82 4.69 0.00 2.01 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 0.00 2.27 2.33 0.00 101 P 0.00 4.57 0.00 1.97 2.08 0.00 3.63 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 2.04 2.15 0.00 102 T 9.19 4.84 4.37 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 1.29 0.00 0.00 103 R 9.08 5.16 0.00 1.90 1.81 0.00 3.06 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 104 T 9.08 5.28 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 1.40 0.00 0.00 105 C 9.25 5.23 0.00 3.11 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 W 9.38 4.95 0.00 3.22 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 0.00 107 F 9.49 5.23 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 0.00 108 S 8.70 4.74 0.00 4.04 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 0.00 109 E 8.81 3.87 0.00 2.07 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 0.00 2.45 2.49 0.00 110 K 8.10 3.91 0.00 1.88 1.81 0.00 1.79 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.51 7.81 111 S 8.17 4.16 0.00 4.51 4.17 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 0.00 112 L 8.09 3.33 0.00 1.62 0.93 0.93 0.52 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 0.00 113 R 7.97 3.83 0.00 1.99 1.98 0.00 3.14 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 114 T 7.61 3.82 4.35 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 1.22 0.00 0.00 115 V 7.49 3.31 1.68 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 0.33 0.00 0.00 0.74 0.00 0.00 116 F 7.37 4.66 0.00 2.93 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 0.00 117 R 8.16 4.07 0.00 1.90 2.01 0.00 3.15 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 118 T 7.21 4.54 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 1.39 0.00 0.00 119 D 8.44 4.50 0.00 2.52 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.88 3.90 0.00 2.09 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 2.57 2.48 0.00 121 D 8.12 4.57 0.00 2.93 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 0.00 122 M 8.14 4.04 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.68 0.00 123 I 6.87 2.38 0.72 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.28 -0.19 -0.78 0.00 0.00 124 F 7.39 3.85 0.00 3.22 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 E 7.98 4.00 0.00 1.96 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 0.00 2.56 2.60 0.00 126 I 7.52 3.64 1.77 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.57 0.86 0.00 0.00 127 F 8.04 4.57 0.00 3.10 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 0.00 128 K 8.13 3.61 0.00 1.12 0.74 0.00 1.51 0.00 0.00 1.41 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.12 1.41 7.81 129 N 7.83 4.27 0.00 2.83 2.86 0.00 0.00 7.24 7.72 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 0.00 130 Y 7.91 4.23 0.00 3.23 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.34 3.89 0.00 1.71 1.75 0.85 0.74 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 0.00 132 T 7.81 4.39 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 133 K 7.47 3.19 0.00 1.92 1.88 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.70 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.53 1.00 7.81 134 V 7.95 3.63 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.96 0.00 0.00 135 A 8.20 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 8.07 3.75 0.00 3.12 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 0.00 137 Y 7.99 4.08 0.00 3.24 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 0.00 138 A 8.49 4.00 1.39 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 0.00 139 R 7.81 3.79 0.00 1.93 1.95 0.00 3.10 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 140 Q 7.82 3.78 0.00 1.93 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.47 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 141 V 7.90 3.57 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 0.96 0.00 0.00 1.03 0.00 0.00 142 A 7.86 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.65 3.99 0.00 2.11 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 0.00 2.42 2.66 0.00 144 M 8.16 4.08 0.00 2.02 2.36 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.62 0.00 145 N 7.83 4.62 0.00 2.81 2.81 0.00 0.00 6.84 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 0.00 146 T 7.12 4.15 3.53 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 0.26 0.00 0.00 147 Y 7.71 4.90 0.00 3.07 2.79 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 0.00 148 N 8.58 4.70 0.00 3.02 2.99 0.00 0.00 6.20 7.76 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 0.00 149 P 0.00 4.26 0.00 2.19 2.17 0.00 3.62 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 150 T 7.99 3.88 4.27 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 1.23 0.00 0.00 151 I 8.30 3.72 1.95 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 1.78 1.03 0.77 0.00 0.00 152 R 8.20 3.90 0.00 2.03 2.00 0.00 3.19 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.00 0.00 153 I 7.72 3.53 2.03 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 1.46 1.21 0.80 0.00 0.00 154 L 7.87 4.25 0.00 1.87 1.77 0.91 0.93 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 0.00 155 R 8.33 3.96 0.00 1.76 2.12 0.00 2.21 0.00 0.00 2.69 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.59 0.00 156 L 7.81 3.92 0.00 1.68 1.57 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 157 F 7.93 4.45 0.00 3.42 2.92 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 0.00 158 Y 8.45 4.10 0.00 3.09 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 0.00 159 E 8.64 3.76 0.00 2.12 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 0.00 2.36 2.47 0.00 160 L 8.13 3.99 0.00 1.94 1.74 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 161 C 8.34 3.98 0.00 3.01 2.77 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 0.00 162 S 7.56 3.82 0.00 3.46 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 S 7.84 4.46 0.00 4.01 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 0.00 164 Q 7.85 4.58 0.00 1.82 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.88 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 165 G 8.43 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 0.00 166 K 8.97 4.71 0.00 1.67 1.73 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.37 7.81 167 R 8.69 3.81 0.00 1.68 1.73 0.00 2.96 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.02 0.00 168 V 8.67 4.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.92 0.00 0.00 169 G 8.02 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 D 8.69 4.77 0.00 2.70 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 0.00 171 T 7.48 4.95 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 1.33 0.00 0.00 172 Y 9.12 5.03 0.00 2.85 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 0.00 173 E 9.23 5.05 0.00 1.83 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 2.16 2.20 0.00 174 I 8.72 4.50 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.53 0.92 0.00 0.00 175 T 8.28 4.34 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 1.20 0.00 0.00 176 M 7.74 4.34 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 177 P 0.00 4.37 0.00 2.17 2.08 0.00 3.73 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 178 L 8.04 4.43 0.00 1.59 1.64 0.92 1.09 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 0.00 179 S 8.23 4.46 0.00 4.11 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 Q 8.66 4.05 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.87 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 181 K 8.18 3.86 0.00 1.83 1.85 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.56 7.81 182 S 8.23 4.44 0.00 3.93 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 I 7.97 3.75 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.58 0.77 0.00 0.00 184 G 8.18 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 E 8.16 4.02 0.00 2.34 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 186 I 8.00 3.87 1.90 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 1.64 0.64 1.00 0.00 0.00 187 T 8.21 4.14 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 1.19 0.00 0.00 188 G 8.24 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 0.00 189 V 7.40 4.43 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 0.90 0.00 0.00 1.00 0.00 0.00 190 H 8.57 4.47 0.00 3.22 3.22 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 H 8.89 4.22 0.00 3.27 3.35 0.00 5.88 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 V 7.86 3.56 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 0.86 0.00 0.00 0.94 0.00 0.00 193 T 7.86 3.93 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 0.00 194 V 7.84 3.62 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.01 0.00 0.00 195 S 8.13 4.23 0.00 3.99 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 0.00 196 R 8.04 3.87 0.00 2.02 2.05 0.00 3.11 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 1.65 1.65 0.00 197 V 7.97 3.62 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 1.11 0.00 0.00 1.05 0.00 0.00 198 L 8.14 4.07 0.00 2.08 1.76 1.24 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 199 A 8.41 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 S 8.56 4.04 0.00 3.94 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 0.00 201 L 8.05 4.05 0.00 1.90 1.66 0.94 0.86 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 0.00 202 K 8.05 4.07 0.00 1.89 1.82 0.00 1.84 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.48 7.81 203 R 8.03 3.94 0.00 1.90 2.20 0.00 3.31 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 204 E 8.06 4.35 0.00 2.05 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 0.00 2.31 2.61 0.00 205 N 7.89 4.24 0.00 2.86 2.79 0.00 0.00 6.87 7.20 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 0.00 206 I 8.30 4.24 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 1.23 0.84 0.98 0.00 0.00 207 L 7.59 4.78 0.00 1.46 1.32 0.20 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 208 D 9.13 4.80 0.00 2.93 2.51 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 0.00 209 K 8.47 4.46 0.00 1.66 1.72 0.00 1.93 0.00 0.00 2.00 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.67 7.81 *214 I 8.19 4.02 1.85 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.44 0.71 0.00 0.00 215 I 8.14 4.52 1.38 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 0.99 0.53 0.29 0.00 0.00 216 V 8.63 4.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.84 0.00 0.00 217 Y 8.93 4.35 0.00 3.15 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 0.00 218 N 8.13 4.90 0.00 2.74 2.71 0.00 0.00 6.86 6.66 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 0.00 219 L 8.60 4.14 0.00 1.77 1.74 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 220 G 8.18 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 E 8.59 4.01 0.00 2.05 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 0.00 2.33 2.47 0.00 222 L 8.06 3.96 0.00 1.80 1.91 1.02 0.74 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 0.00 223 K 8.08 3.32 0.00 1.52 1.88 0.00 1.79 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.21 0.72 7.81 224 H 8.23 4.32 0.00 3.24 3.46 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 225 L 8.43 3.90 0.00 1.74 1.73 1.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 226 S 8.15 4.19 0.00 3.90 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 0.00 227 E 7.85 4.28 0.00 1.96 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 2.13 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.