NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2580 7.8827 121.4428 61.2108 38.6897 173.7783 17 V 4.2898 8.6978 126.1801 61.8852 32.5399 174.4510 18 G 3.6429 9.0387 115.1551 46.5166 0.0000 173.2267 19 G 4.2627 7.7942 110.4170 44.1405 0.0000 172.4260 20 Y 4.9583 7.5381 117.1191 55.2870 42.3664 174.8070 21 T 4.2780 8.5799 116.8493 64.0145 68.3650 175.4200 22 C 4.3123 8.5681 125.1699 59.9229 37.6878 175.4304 23 G 3.9827 8.5702 106.2067 44.8328 0.0000 172.4934 24 A 4.0508 8.6004 126.1859 53.6443 18.4692 176.7814 25 N 4.2355 8.7590 120.8288 54.7621 36.1160 175.6096 26 T 4.1783 7.7905 108.7108 62.7638 70.0651 175.2310 27 V 3.9841 7.0901 123.0762 60.2653 30.9305 173.6213 28 P 4.5096 0.0000 0.0000 64.0021 32.1263 178.1843 29 Y 4.8658 6.8737 115.9813 56.7668 38.8455 174.8454 30 Q 4.5036 7.2495 123.1212 56.2890 29.7115 175.3455 31 V 4.7752 8.8308 125.6789 61.2060 35.1477 173.7541 32 S 5.0160 8.8098 121.1985 56.6446 64.6221 172.5860 33 L 4.6432 8.6320 127.6288 53.5436 43.2408 175.0489 34 N 5.8507 9.3025 122.7132 49.9455 41.8240 174.7841 *37 S 4.3701 8.3137 121.0679 58.1152 63.9188 174.1947 38 G 3.9499 9.7099 108.4433 46.0807 0.0000 172.0804 39 Y 4.5741 6.4839 114.8548 55.9748 40.1123 172.9584 40 H 4.5584 8.8633 121.9018 56.4490 30.3059 174.8246 41 F 5.0994 7.8772 119.5204 56.6464 39.5284 173.9296 42 C 4.7847 6.8967 114.7911 56.2307 44.5819 173.7706 43 G 4.3974 8.6327 109.9290 45.8439 0.0000 172.0741 44 G 4.6145 7.6116 105.4033 46.5267 0.0000 172.6251 45 S 5.5077 8.7383 115.2511 56.4882 66.9298 173.6567 46 L 4.7899 9.1881 127.5900 54.7776 42.4895 177.0857 47 I 4.4110 8.4863 119.5342 60.9374 38.9026 174.3963 48 N 4.5780 7.5359 117.4692 52.3500 39.3798 174.9727 49 S 4.2848 8.5502 111.8570 60.5941 63.2224 175.2294 50 Q 4.5129 8.1961 118.0239 55.1512 30.3548 174.4980 51 W 5.5374 8.1919 118.3080 54.7887 33.5712 174.2682 52 V 5.0782 9.2048 124.1987 61.0725 34.1331 174.4044 53 V 4.9900 8.6998 126.8039 60.6302 33.8052 175.0263 54 S 5.1573 8.7027 116.1549 57.5216 66.2669 172.2346 55 A 4.5503 8.7775 120.6021 50.5621 19.4669 178.7487 56 A 3.8657 8.2476 124.3424 55.0922 18.5117 179.2086 57 H 4.4657 8.2374 109.9472 57.4891 28.6944 175.4945 58 C 4.6859 7.7401 117.1085 57.4735 40.5128 173.3169 59 Y 4.2545 7.8178 122.1811 58.0641 38.7239 175.4262 60 K 3.9108 7.2519 123.9562 54.9653 36.2836 175.2628 61 S 4.2634 7.9249 115.0882 58.6047 63.2952 173.7035 62 G 3.7647 8.5886 112.0890 46.3313 0.0000 173.4683 63 I 4.1006 7.5652 119.8958 60.6291 38.8333 174.7243 64 Q 4.8049 8.8595 127.2603 54.2324 31.9003 174.0558 65 V 4.5920 8.7120 126.6964 61.5394 33.7097 174.4832 66 R 5.2003 8.8789 126.9768 54.6513 32.6883 175.0845 67 L 4.7606 9.1170 124.5744 52.7474 44.7700 177.5525 *69 G 4.0058 8.2612 107.6336 45.3268 0.0000 172.6640 70 E 4.3202 8.2798 118.9193 55.6993 29.7051 174.3678 71 D 4.8934 8.0390 119.9156 55.3733 44.4424 174.4506 72 N 4.9715 9.1791 116.2783 53.2529 39.5649 176.1087 73 I 4.0738 8.5528 119.3135 61.8648 37.9853 176.0467 74 N 4.7555 8.7888 118.1272 53.0798 39.3255 174.7236 75 V 4.2625 7.4975 118.5210 60.5937 33.9111 175.0555 76 V 3.9997 8.4972 127.1023 63.0501 30.7550 175.0846 77 E 4.3420 9.3198 127.0326 56.1913 29.7437 177.5820 78 G 3.9457 8.3572 108.2052 45.0719 0.0000 173.9844 79 N 4.8491 7.9803 115.6583 53.0865 39.8483 174.4397 80 E 4.5529 7.8804 118.4661 55.9456 31.0521 175.9227 81 Q 4.4162 8.8414 121.0191 54.2053 32.0811 174.4126 82 F 5.5489 8.7568 123.2715 56.0771 40.6997 175.4005 83 I 4.6615 8.8401 124.9650 59.3365 40.7913 175.5391 84 S 4.5979 8.7222 122.6701 58.1505 64.2429 173.3768 85 A 4.4857 8.2888 125.8273 52.2513 18.0606 177.8233 86 S 4.5579 9.0888 117.8954 59.8039 64.5256 174.6107 87 K 4.6458 7.5078 117.4089 55.7649 35.4399 174.5478 88 S 5.2093 8.7581 115.9547 56.7164 65.7984 173.2596 89 I 4.6247 9.0749 126.8217 59.5616 39.9627 174.9628 90 V 4.2694 8.4291 127.2691 62.0989 32.7677 175.1785 91 H 3.4560 8.5777 126.4949 55.7416 29.9458 174.2789 92 P 4.2204 0.0000 0.0000 65.5415 30.9205 177.0217 93 S 4.6802 7.7789 112.3667 57.9976 63.0210 173.1557 94 Y 4.2327 8.0823 123.3843 57.7199 39.0217 174.4605 95 N 4.6469 8.2246 126.1013 51.3635 39.6784 175.1365 96 S 3.8709 7.7282 120.4867 59.9145 63.6120 175.4760 97 N 4.3532 8.3274 119.2680 55.7887 38.3818 176.1457 98 T 3.9631 7.7201 105.1789 60.7832 69.7254 174.6328 99 L 3.6815 7.4950 120.8086 55.5661 39.9438 173.9369 100 N 4.4568 7.7874 117.3822 54.6194 39.5948 174.4921 101 N 5.0199 8.7319 120.6021 54.3837 35.3669 175.7951 102 D 4.7257 7.7796 118.4395 52.9529 40.4132 174.2694 103 I 4.7148 7.2853 120.9172 59.7206 42.0772 172.3301 104 M 5.4376 8.9628 126.2533 54.4671 36.2226 173.2120 105 L 5.5478 9.1115 122.9722 53.1601 45.6852 175.7007 106 I 5.0005 8.8849 121.9565 59.6675 41.1231 174.1544 107 K 3.8789 8.4610 128.9739 54.5001 33.7240 175.5619 108 L 4.3125 8.2577 127.6600 54.1813 41.8813 177.0903 109 K 4.0558 8.8118 125.1410 59.2171 32.5780 177.2262 110 S 4.6412 7.7201 112.4345 56.1282 66.9271 173.3280 111 A 4.4119 8.3938 124.3461 51.7658 18.7948 177.5100 112 A 4.2254 8.7338 123.8972 52.1512 19.4670 177.6110 113 S 4.4665 9.1300 117.9757 57.6709 63.3250 174.4945 114 L 4.5877 8.4918 125.4876 54.3625 43.2313 176.7177 115 N 4.6810 8.6009 117.6440 52.9106 39.9797 175.0785 116 S 4.2468 8.8185 111.2814 61.3638 63.4292 175.0767 117 R 4.2143 7.8600 117.8361 56.5327 30.6586 176.2681 118 V 4.4133 7.6229 116.6697 61.0599 33.3341 173.5034 119 A 5.2012 8.7134 128.6340 50.1912 22.9230 175.0984 120 S 4.9919 8.7058 114.1367 57.6089 65.0830 172.9926 121 I 4.4712 8.2797 120.7033 59.1690 39.8085 175.2244 122 S 4.4982 8.3242 123.1865 58.0865 64.1751 173.9811 123 L 4.3021 8.3489 123.1932 53.3674 42.4836 175.1861 124 P 4.4805 0.0000 0.0000 62.9356 32.1144 176.6555 125 T 3.9838 8.2819 110.2024 63.3699 69.5345 174.5087 *127 S 4.5698 7.5518 114.7069 58.0656 64.0566 173.6245 128 C 4.4642 8.3688 117.1578 56.3882 40.7958 173.3922 129 A 4.5399 7.9541 124.7071 50.9472 20.0453 177.5177 130 S 4.2654 8.0752 114.8363 57.2486 64.6821 173.1781 *132 A 4.2286 8.1914 123.3047 53.4075 19.2324 177.1360 133 G 4.0305 9.0284 110.7359 45.5856 0.0000 174.4616 134 T 3.9795 7.6984 116.8413 63.7778 69.5627 173.3047 135 Q 4.6310 8.5132 126.3708 55.5458 30.3287 175.3831 136 C 5.2836 9.0631 122.3227 55.0921 44.1295 172.3911 137 L 5.1592 8.8266 123.7368 53.5943 44.0473 175.1325 138 I 5.3207 8.9883 126.6629 58.6561 40.3258 174.7297 139 S 4.9252 8.4696 119.5874 56.6733 66.3953 172.9821 140 G 3.7497 7.9672 108.1686 46.0910 0.0000 173.1852 141 W 4.9825 8.8521 117.4212 56.2973 29.5572 177.1047 142 G 4.0759 8.1956 108.8402 43.8332 0.0000 173.5952 143 N 3.4256 8.1781 117.9551 54.4432 38.7942 174.5620 144 T 4.9042 8.3372 113.9527 60.6374 69.6044 174.4864 145 K 4.6500 7.7834 121.5563 54.7318 34.8606 176.2890 146 S 4.2141 8.7589 117.4349 60.6067 63.4608 174.4667 147 S 4.4404 8.5872 118.9155 58.8066 62.6690 172.7612 148 G 4.0722 7.6404 110.9881 43.4309 0.0000 170.7020 149 T 4.8220 7.9735 115.6972 61.7943 71.9365 174.3610 150 S 4.5206 9.5319 121.4648 57.6812 66.1441 172.2349 151 Y 4.9413 8.7791 125.8757 55.4886 39.0051 174.2334 152 P 4.5155 0.0000 0.0000 63.0306 32.2953 176.0423 153 D 4.7882 8.7311 118.5953 54.8412 41.7999 176.3839 154 V 5.4571 7.4416 111.3637 58.1496 34.9043 175.3463 155 L 3.1208 8.3948 124.8189 55.0989 42.9412 176.0177 156 K 4.8389 8.5252 125.1209 54.8199 35.3783 174.5233 157 C 5.2648 8.4196 119.5970 55.1867 44.5244 172.9597 158 L 4.9598 8.5086 122.3717 53.8172 45.5839 174.5057 159 K 5.0914 8.9816 125.4804 55.3195 33.5586 175.8887 160 A 4.8007 8.9956 126.2935 49.6259 23.0941 173.6013 161 P 4.9106 0.0000 0.0000 62.2834 33.5292 175.5857 162 I 4.3696 8.4089 123.1497 61.6214 37.9554 175.7509 163 L 4.8640 8.6726 127.4675 53.0230 43.5980 176.8838 164 S 4.3134 8.4334 115.0884 58.2161 63.9464 175.1210 165 D 4.4328 8.8359 122.7412 57.5152 40.4151 179.3257 166 S 4.1358 8.0568 114.5794 61.6511 62.9478 176.6612 167 S 4.5968 7.9294 118.7919 59.8983 62.6955 175.6629 168 C 4.3294 8.2931 122.7792 59.7647 43.2618 175.6231 169 K 3.9923 8.4557 119.2782 59.0923 32.0078 179.2732 170 S 4.2673 8.5211 114.9691 61.1811 62.7184 176.4331 171 A 3.9205 7.6263 123.9676 53.6651 19.6228 177.2186 172 Y 4.8429 7.5766 114.4199 55.4325 38.3636 172.4926 173 P 4.6622 0.0000 0.0000 63.5405 32.3922 177.0399 174 G 4.0002 9.0015 109.7404 46.3439 0.0000 173.8622 175 Q 4.5792 8.2784 116.6417 55.2312 30.5023 175.5314 176 I 4.4755 7.8538 119.4891 59.9469 38.5901 175.2783 177 T 4.6521 8.1605 115.4420 59.6496 71.1507 174.9658 178 S 4.2780 8.5778 114.7520 60.7116 63.2546 174.3565 179 N 4.9682 8.1625 118.3483 53.2631 38.4575 173.8256 180 M 5.5191 7.9208 117.5040 53.6321 36.0195 174.5441 181 F 5.1530 8.8670 116.3230 55.4789 42.2531 172.7480 182 C 5.9337 9.1603 115.7432 55.1047 41.0413 172.7821 183 A 5.0213 9.1125 122.3673 50.4609 22.1687 174.8622 184A G 3.8057 7.0170 108.7707 44.7466 0.0000 173.1593 184 Y 4.6396 8.2863 120.7518 56.1287 41.2754 176.2776 185 L 4.1642 8.6680 125.2590 57.1051 42.0913 178.9061 186 E 4.0195 8.2061 115.6511 57.3664 30.4034 177.9457 187 G 3.7465 8.0081 107.4791 45.5732 0.0000 173.9742 188A G 4.0099 9.2303 107.2498 45.4982 0.0000 173.9579 188 K 4.8325 7.4910 118.2816 55.1813 35.6666 175.3474 189 D 4.6164 8.6978 122.8555 53.5160 45.4869 174.9783 190 S 4.8866 8.1861 116.2653 58.9745 64.1914 172.2130 191 C 4.7630 9.0174 120.0334 55.4734 45.6451 172.7122 192 Q 4.4222 8.4033 120.0101 57.7238 28.4808 176.9487 193 G 4.2798 9.2524 108.8259 45.8924 0.0000 174.0823 194 D 4.6754 8.3743 118.2913 55.2572 41.5934 176.7178 195 S 4.4720 8.1164 115.8076 60.5494 63.5475 175.3797 196 G 3.9593 8.7232 112.4809 46.4314 0.0000 173.7792 197 G 4.3860 7.8289 107.3319 45.1612 0.0000 171.1670 198 P 4.9823 0.0000 0.0000 62.2565 33.4227 175.5112 199 V 4.6020 8.6410 121.9836 61.4310 33.9954 174.0482 200 V 4.7828 8.8549 129.0603 61.2938 34.1383 173.7549 201 C 5.0429 8.6660 124.3084 55.6147 44.0648 174.5918 202 S 3.7135 9.7249 120.4999 59.7641 60.0046 173.3319 203 G 3.9247 8.4111 104.4745 45.6595 0.0000 173.7675 204 K 4.6721 7.7121 117.9030 53.0051 35.2999 175.4997 *209 L 4.2928 8.2659 122.5801 55.4912 42.1256 175.9091 210 Q 4.6100 8.9264 125.6502 56.2169 31.0784 175.8191 211 G 5.3247 8.0535 104.7987 45.7467 0.0000 171.4910 212 I 5.2094 8.2318 120.2716 58.7982 41.1045 174.8544 213 V 3.4408 9.0084 127.2465 64.2401 31.8144 174.7383 214 S 4.8044 8.3905 121.3012 58.6256 63.8219 174.0709 215 W 4.8438 7.2601 114.1061 56.0572 32.0133 171.9247 216 G 3.7791 8.0523 104.8795 46.7368 0.0000 172.1401 217 S 4.7924 9.0821 115.2603 56.5110 63.8485 173.6084 *219 G 4.0514 8.2454 118.5827 45.5493 0.0000 171.8972 220 C 4.7564 8.2487 117.7342 56.5871 39.6696 173.7935 221A A 3.8527 9.2539 124.8434 53.0044 16.9073 177.2938 221 Q 4.4143 7.4939 116.2519 56.4208 29.3837 175.7793 222 K 4.2472 8.3405 121.7802 57.6473 32.7466 176.7065 223 N 4.4195 9.4326 122.3978 53.7674 36.7167 175.2643 224 K 4.3998 7.4805 117.9448 53.4309 32.0157 174.0204 225 P 4.5539 0.0000 0.0000 62.2910 32.7542 177.4087 226 G 3.6351 8.4134 107.5145 46.2523 0.0000 172.4986 227 V 4.3995 7.5843 121.4526 60.6753 33.9479 174.1100 228 Y 4.7840 8.1303 124.5891 55.8736 41.9197 175.1000 229 T 4.2964 8.4403 120.2444 63.7050 69.9974 174.1736 230 K 5.0949 9.3522 128.1472 55.5211 31.4839 177.3005 231 V 4.0580 8.8532 126.7149 65.7035 31.4167 174.9237 232 C 4.3960 8.2951 112.7204 58.0006 41.6121 174.6743 233 N 4.2742 7.9485 117.2116 54.3099 38.5510 174.9044 234 Y 4.8430 7.9526 117.6659 57.4200 39.5611 177.6134 235 V 3.6957 7.9921 121.3298 66.0966 31.4956 177.9951 236 S 4.0743 8.0717 114.3514 61.3309 62.8247 176.1335 237 W 4.1917 8.3310 130.4089 60.6025 30.3857 177.6951 238 I 3.0000 8.2786 119.8662 64.2850 36.4717 178.6021 239 K 3.7346 8.3707 119.4716 59.4097 31.6019 179.2936 240 Q 3.8472 7.9735 119.2528 59.3079 29.3129 178.0965 241 T 3.7451 7.4252 116.7313 66.5960 67.9866 176.9568 242 I 2.2122 7.1440 121.5445 63.6070 36.6677 178.2077 243 A 4.0963 7.3370 120.5931 53.8350 18.2284 178.7663 244 S 4.7392 7.3229 111.9694 58.1783 63.5253 173.9946 245 N 4.6737 7.9249 125.0570 53.7560 39.6506 174.2541 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 16 I 7.88 4.26 1.78 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 1.00 0.84 0.00 0.00 17 V 8.70 4.29 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 1.02 0.00 0.00 0.96 0.00 0.00 18 G 9.04 3.64 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 0.00 0.00 0.00 19 G 7.79 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 0.00 0.00 0.00 0.00 20 Y 7.54 4.96 0.00 2.97 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 21 T 8.58 4.28 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 1.23 0.00 0.00 22 C 8.57 4.31 0.00 2.76 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 23 G 8.57 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 0.00 0.00 0.00 24 A 8.60 4.05 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 25 N 8.76 4.24 0.00 2.88 2.91 0.00 0.00 7.29 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 26 T 7.79 4.18 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 1.26 0.00 0.00 27 V 7.09 3.98 1.74 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 0.35 0.00 0.00 0.76 0.00 0.00 28 P 0.00 4.51 0.00 2.36 2.36 0.00 3.64 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 2.18 1.99 0.00 29 Y 6.87 4.87 0.00 3.26 3.40 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 30 Q 7.25 4.50 0.00 1.81 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.42 0.00 0.00 0.00 0.00 0.00 1.93 2.47 0.00 31 V 8.83 4.78 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.02 0.00 0.00 32 S 8.81 5.02 0.00 3.19 3.40 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 33 L 8.63 4.64 0.00 0.57 0.90 0.74 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.30 5.85 0.00 2.43 2.51 0.00 0.00 6.59 7.41 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 *37 S 8.31 4.37 0.00 3.70 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 38 G 9.71 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 6.48 4.57 0.00 3.14 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 40 H 8.86 4.56 0.00 2.87 3.18 0.00 5.86 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 41 F 7.88 5.10 0.00 3.13 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 42 C 6.90 4.78 0.00 2.10 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 43 G 8.63 4.40 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 0.00 44 G 7.61 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.74 5.51 0.00 3.82 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 46 L 9.19 4.79 0.00 1.87 1.67 1.08 1.18 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 47 I 8.49 4.41 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.97 0.96 0.00 0.00 48 N 7.54 4.58 0.00 2.93 2.99 0.00 0.00 6.55 7.75 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 49 S 8.55 4.28 0.00 4.20 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.20 4.51 0.00 2.12 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 51 W 8.19 5.54 0.00 3.15 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 52 V 9.20 5.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.99 0.00 0.00 53 V 8.70 4.99 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 0.69 0.00 0.00 1.07 0.00 0.00 54 S 8.70 5.16 0.00 3.91 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.78 4.55 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.25 3.87 0.27 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 57 H 8.24 4.47 0.00 3.37 3.59 0.00 5.56 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 58 C 7.74 4.69 0.00 3.20 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 59 Y 7.82 4.25 0.00 2.93 2.99 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 60 K 7.25 3.91 0.00 1.34 1.23 0.00 0.61 0.00 0.00 1.06 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.89 0.69 7.81 61 S 7.92 4.26 0.00 3.73 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 62 G 8.59 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.57 4.10 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.93 0.00 0.00 64 Q 8.86 4.80 0.00 2.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 65 V 8.71 4.59 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.91 0.00 0.00 66 R 8.88 5.20 0.00 1.64 1.87 0.00 2.70 0.00 0.00 2.39 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.27 0.00 67 L 9.12 4.76 0.00 1.62 1.63 0.96 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 *69 G 8.26 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 70 E 8.28 4.32 0.00 2.20 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 2.45 2.20 0.00 71 D 8.04 4.89 0.00 2.79 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 72 N 9.18 4.97 0.00 2.83 2.83 0.00 0.00 7.21 8.29 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 73 I 8.55 4.07 1.42 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.51 -0.34 0.00 0.00 74 N 8.79 4.76 0.00 2.83 2.88 0.00 0.00 6.59 7.97 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 75 V 7.50 4.26 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 0.78 0.00 0.00 0.95 0.00 0.00 76 V 8.50 4.00 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 0.80 0.00 0.00 1.05 0.00 0.00 77 E 9.32 4.34 0.00 2.01 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 2.30 2.46 0.00 78 G 8.36 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 7.98 4.85 0.00 2.85 2.81 0.00 0.00 7.14 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 80 E 7.88 4.55 0.00 1.20 1.47 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 2.58 2.44 0.00 81 Q 8.84 4.42 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 82 F 8.76 5.55 0.00 2.84 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 8.84 4.66 1.88 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 1.24 0.90 0.94 0.00 0.00 84 S 8.72 4.60 0.00 3.75 3.74 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 85 A 8.29 4.49 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 9.09 4.56 0.00 3.76 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 87 K 7.51 4.65 0.00 1.84 1.87 0.00 1.46 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.51 7.81 88 S 8.76 5.21 0.00 3.99 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 89 I 9.07 4.62 2.10 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.05 1.19 0.00 0.00 90 V 8.43 4.27 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 91 H 8.58 3.46 0.00 2.83 2.94 0.00 5.66 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 92 P 0.00 4.22 0.00 2.13 2.17 0.00 2.56 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.81 0.00 93 S 7.78 4.68 0.00 4.02 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.08 4.23 0.00 3.05 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 95 N 8.22 4.65 0.00 2.56 2.43 0.00 0.00 6.48 7.15 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 96 S 7.73 3.87 0.00 3.99 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 97 N 8.33 4.35 0.00 2.78 2.78 0.00 0.00 6.85 8.06 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 98 T 7.72 3.96 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 1.09 0.00 0.00 99 L 7.49 3.68 0.00 1.50 1.85 0.85 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.79 4.46 0.00 2.76 2.63 0.00 0.00 7.33 6.80 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 0.00 101 N 8.73 5.02 0.00 3.07 2.66 0.00 0.00 7.32 8.37 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 0.00 102 D 7.78 4.73 0.00 3.25 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 0.00 103 I 7.29 4.71 1.51 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.03 0.18 0.00 0.00 104 M 8.96 5.44 0.00 2.16 1.84 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 2.77 2.66 0.00 105 L 9.11 5.55 0.00 1.82 1.86 0.05 0.52 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 0.00 106 I 8.88 5.00 1.93 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 1.20 0.95 0.89 0.00 0.00 107 K 8.46 3.88 0.00 0.79 1.05 0.00 1.44 0.00 0.00 1.36 0.00 0.00 2.61 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.68 0.21 7.81 108 L 8.26 4.31 0.00 1.37 1.60 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.81 4.06 0.00 1.96 1.80 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.38 7.81 110 S 7.72 4.64 0.00 3.81 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 0.00 111 A 8.39 4.41 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 0.00 112 A 8.73 4.23 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 0.00 113 S 9.13 4.47 0.00 3.74 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 0.00 114 L 8.49 4.59 0.00 1.65 1.62 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.60 4.68 0.00 2.83 2.92 0.00 0.00 6.82 7.39 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 0.00 116 S 8.82 4.25 0.00 4.01 4.05 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 0.00 117 R 7.86 4.21 0.00 1.82 2.02 0.00 3.15 0.00 0.00 3.25 7.33 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.55 4.57 0.00 4.00 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 0.00 128 C 8.37 4.46 0.00 2.94 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 0.00 129 A 7.95 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.08 4.27 0.00 3.99 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 *132 A 8.19 4.23 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 0.00 133 G 9.03 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 0.00 134 T 7.70 3.98 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 1.14 0.00 0.00 135 Q 8.51 4.63 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 136 C 9.06 5.28 0.00 2.93 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 0.00 137 L 8.83 5.16 0.00 1.79 1.57 1.05 1.09 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 0.00 138 I 8.99 5.32 1.87 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.61 0.98 0.00 0.00 139 S 8.47 4.93 0.00 3.55 3.59 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 0.00 140 G 7.97 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 0.00 141 W 8.85 4.98 0.00 3.25 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.20 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 0.00 143 N 8.18 3.43 0.00 2.14 2.56 0.00 0.00 7.44 7.24 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 0.00 144 T 8.34 4.90 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 145 K 7.78 4.65 0.00 1.86 1.71 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.29 1.31 7.81 146 S 8.76 4.21 0.00 4.03 4.07 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 0.00 147 S 8.59 4.44 0.00 3.85 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 0.00 148 G 7.64 4.07 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 0.00 149 T 7.97 4.82 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 1.49 0.00 0.00 150 S 9.53 4.52 0.00 3.83 3.64 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 0.00 151 Y 8.78 4.94 0.00 2.91 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 0.00 152 P 0.00 4.52 0.00 2.47 2.09 0.00 3.90 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 2.28 2.09 0.00 153 D 8.73 4.79 0.00 2.79 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 0.00 154 V 7.44 5.46 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.98 0.00 0.00 155 L 8.39 3.12 0.00 1.64 1.19 0.55 -0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.53 4.84 0.00 1.60 1.47 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.45 7.81 157 C 8.42 5.26 0.00 1.48 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 0.00 158 L 8.51 4.96 0.00 1.69 1.43 1.03 0.94 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 0.00 159 K 8.98 5.09 0.00 1.82 1.82 0.00 1.86 0.00 0.00 1.77 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.62 7.81 160 A 9.00 4.80 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 0.00 161 P 0.00 4.91 0.00 2.02 2.09 0.00 3.00 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 1.87 1.74 0.00 162 I 8.41 4.37 1.88 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 0.98 0.34 0.75 0.00 0.00 163 L 8.67 4.86 0.00 1.55 1.60 0.92 1.09 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 0.00 164 S 8.43 4.31 0.00 4.00 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 0.00 165 D 8.84 4.43 0.00 2.73 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 0.00 166 S 8.06 4.14 0.00 4.05 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 S 7.93 4.60 0.00 4.08 4.16 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 0.00 168 C 8.29 4.33 0.00 3.18 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 K 8.46 3.99 0.00 1.84 1.91 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.59 7.81 170 S 8.52 4.27 0.00 4.02 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 0.00 171 A 7.63 3.92 1.07 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 0.00 172 Y 7.58 4.84 0.00 3.05 3.24 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 0.00 173 P 0.00 4.66 0.00 2.08 2.03 0.00 3.87 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 2.05 2.35 0.00 174 G 9.00 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 0.00 0.00 0.00 175 Q 8.28 4.58 0.00 2.48 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.42 6.35 0.00 0.00 0.00 0.00 0.00 2.27 2.57 0.00 176 I 7.85 4.48 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.95 1.00 0.00 0.00 177 T 8.16 4.65 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 1.25 0.00 0.00 178 S 8.58 4.28 0.00 4.01 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 0.00 179 N 8.16 4.97 0.00 2.93 3.10 0.00 0.00 6.59 7.50 0.00 0.00 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 M 7.92 5.52 0.00 1.78 1.99 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.61 0.00 181 F 8.87 5.15 0.00 3.01 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 C 9.16 5.93 0.00 2.99 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 A 9.11 5.02 1.05 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 0.00 0.00 184A G 7.02 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 0.00 0.00 0.00 184 Y 8.29 4.64 0.00 3.08 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 0.00 185 L 8.67 4.16 0.00 1.74 1.73 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.21 4.02 0.00 2.10 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 2.37 2.34 0.00 187 G 8.01 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 188A G 9.23 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 0.00 188 K 7.49 4.83 0.00 1.61 1.73 0.00 0.61 0.00 0.00 1.10 0.00 0.00 2.28 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.39 1.19 7.81 189 D 8.70 4.62 0.00 2.76 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 0.00 190 S 8.19 4.89 0.00 3.93 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 0.00 191 C 9.02 4.76 0.00 2.92 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 0.00 192 Q 8.40 4.42 0.00 2.43 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 5.15 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 193 G 9.25 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 0.00 0.00 0.00 0.00 194 D 8.37 4.68 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 0.00 195 S 8.12 4.47 0.00 3.99 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 0.00 196 G 8.72 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 0.00 197 G 7.83 4.39 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 0.00 198 P 0.00 4.98 0.00 2.35 2.37 0.00 3.69 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 199 V 8.64 4.60 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 0.98 0.00 0.00 0.72 0.00 0.00 200 V 8.85 4.78 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 0.98 0.00 0.00 0.59 0.00 0.00 201 C 8.67 5.04 0.00 2.79 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 0.00 202 S 9.72 3.71 0.00 3.95 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 G 8.41 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 0.00 0.00 0.00 204 K 7.71 4.67 0.00 1.71 1.65 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.40 7.81 *209 L 8.27 4.29 0.00 1.51 1.64 0.98 0.75 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 0.00 210 Q 8.93 4.61 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.34 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 211 G 8.05 5.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 I 8.23 5.21 1.93 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 1.31 0.75 0.96 0.00 0.00 213 V 9.01 3.44 2.29 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 0.99 0.00 0.00 1.16 0.00 0.00 214 S 8.39 4.80 0.00 3.90 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 0.00 215 W 7.26 4.84 0.00 3.28 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 0.00 216 G 8.05 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 S 9.08 4.79 0.00 4.21 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 *219 G 8.25 4.05 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 0.00 0.00 0.00 220 C 8.25 4.76 0.00 2.95 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 221A A 9.25 3.85 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 0.00 221 Q 7.49 4.41 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 7.13 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 222 K 8.34 4.25 0.00 1.83 1.72 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.52 7.81 223 N 9.43 4.42 0.00 2.85 2.88 0.00 0.00 6.81 8.20 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 0.00 224 K 7.48 4.40 0.00 1.75 1.80 0.00 1.71 0.00 0.00 1.35 0.00 0.00 2.73 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.48 7.81 225 P 0.00 4.55 0.00 2.14 2.10 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 226 G 8.41 3.64 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 0.00 0.00 0.00 227 V 7.58 4.40 0.67 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 0.30 0.00 0.00 -0.75 0.00 0.00 228 Y 8.13 4.78 0.00 1.43 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 T 8.44 4.30 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 1.20 0.00 0.00 230 K 9.35 5.09 0.00 2.08 1.91 0.00 1.82 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.59 1.76 7.81 231 V 8.85 4.06 2.34 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 1.23 0.00 0.00 1.08 0.00 0.00 232 C 8.30 4.40 0.00 3.16 3.22 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 0.00 233 N 7.95 4.27 0.00 2.25 2.35 0.00 0.00 6.89 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 Y 7.95 4.84 0.00 3.18 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 0.00 235 V 7.99 3.70 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 0.94 0.00 0.00 1.08 0.00 0.00 236 S 8.07 4.07 0.00 3.98 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 0.00 237 W 8.33 4.19 0.00 3.51 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 0.00 238 I 8.28 3.00 1.98 0.00 0.00 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 1.49 0.85 0.73 0.00 0.00 239 K 8.37 3.73 0.00 1.73 1.76 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.53 7.81 240 Q 7.97 3.85 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 241 T 7.43 3.75 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 0.85 0.00 0.00 242 I 7.14 2.21 1.34 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 -0.36 0.35 0.00 0.00 243 A 7.34 4.10 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 0.00 244 S 7.32 4.74 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 0.00 245 N 7.92 4.67 0.00 3.04 3.01 0.00 0.00 6.73 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 * Residues marked with a * may have inaccurate shift predictions.