NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2926 7.8827 121.4492 61.1855 38.8021 173.7776 17 V 4.4053 8.4968 125.5055 61.6629 33.0349 174.3862 18 G 3.8360 8.4537 113.7934 46.3997 0.0000 173.2905 19 G 4.1821 7.7461 109.7918 43.9970 0.0000 172.2796 20 Y 4.9748 7.7278 116.8743 55.1196 42.2898 174.7541 21 T 4.3259 8.5743 116.6963 63.8109 68.4267 175.5810 22 C 4.3202 8.7522 125.3511 60.7496 35.6314 174.6874 23 G 4.1397 8.6642 106.5337 43.8681 0.0000 172.9405 24 A 4.2016 8.6882 125.7818 53.9353 18.6200 176.8345 25 N 4.2481 8.8584 118.9751 54.4669 36.2679 175.2855 26 T 4.2304 7.5718 107.2549 62.5748 69.8578 175.1851 27 V 4.0921 7.0227 122.1098 60.0948 31.4214 173.6508 28 P 4.5090 0.0000 0.0000 63.9855 31.9814 178.1777 29 Y 4.9792 6.8047 115.5136 56.3960 38.7614 174.5960 30 Q 4.5857 7.3267 123.5786 56.3517 29.2959 175.4109 31 V 4.8606 8.8928 118.5931 59.6358 36.3583 174.1327 32 S 4.9250 8.6825 116.5908 56.5650 65.0581 172.5749 33 L 4.5345 8.4120 127.4132 53.2111 43.3644 175.0139 34 N 5.7902 8.8869 122.3775 49.9712 42.2354 174.8219 *37 S 4.3649 8.3980 119.4537 58.3519 64.1469 174.5285 38 G 3.9966 9.7125 108.5701 46.0133 0.0000 172.6938 39 Y 4.4850 6.6528 115.2879 56.3487 39.9400 172.4042 40 H 4.6057 8.8359 121.4552 55.7404 30.4205 174.8220 41 F 4.9217 7.6547 120.0948 56.9684 39.6686 173.8139 42 C 4.7180 6.6263 116.7092 56.1540 44.8801 173.0946 43 G 4.2160 8.4720 108.9820 45.5892 0.0000 172.1814 44 G 4.5179 7.9099 104.9617 46.4534 0.0000 172.6640 45 S 5.5435 8.6917 115.4515 56.4057 66.8053 173.6431 46 L 4.6586 9.1459 127.4704 54.8079 42.3983 177.0783 47 I 4.4922 8.5385 119.6135 61.0363 39.2496 174.4315 48 N 4.7433 7.5597 117.5413 52.0861 39.5888 174.9768 49 S 4.4004 8.6135 111.8528 60.2901 63.3239 174.6236 50 Q 4.5508 9.2047 121.5173 55.3446 30.8582 174.3100 51 W 5.5730 8.3878 116.2891 55.5461 33.4690 174.3505 52 V 5.1890 9.0365 122.9649 61.0611 34.6841 174.3480 53 V 4.9473 8.7339 125.9379 60.4866 33.5910 174.8483 54 S 5.1015 9.0403 117.4010 57.7365 66.0348 171.8329 55 A 4.7728 8.5005 120.0693 50.3510 20.8976 178.2098 56 A 3.8059 8.3098 124.4394 55.3239 18.4353 179.0880 57 H 4.5468 8.2854 108.9988 57.1149 28.7072 175.2539 58 C 4.7229 7.8991 117.2042 57.0624 40.5933 173.3512 59 Y 4.1122 7.7651 122.3160 57.6837 38.7707 175.1161 60 K 3.6902 6.5133 123.4284 56.3544 34.5991 174.1319 61 S 4.3700 8.1919 114.4479 57.8427 64.8186 173.2511 62 G 3.6662 8.4242 106.0329 46.6345 0.0000 173.4298 63 I 4.3438 7.5254 119.5068 59.7402 39.3850 174.9582 64 Q 4.7992 8.6877 127.6203 54.2083 31.7262 174.0972 65 V 4.2925 8.8060 126.9392 61.6543 33.6818 174.5541 65A R 5.0121 8.7863 127.0211 54.6630 32.4602 175.1509 66 L 4.7396 9.1308 124.7876 52.7008 44.8422 177.1758 *69 G 3.8663 8.2164 105.6631 46.3174 0.0000 172.8366 70 E 4.6785 8.4493 118.7226 55.1710 30.7593 174.2901 71 D 4.7423 7.8933 116.9307 55.3147 43.5936 174.3045 72 N 5.0620 8.4582 120.4729 53.0911 39.2831 175.9206 73 I 3.9515 8.3348 119.5873 62.0932 37.8274 176.2091 74 N 4.7979 8.7232 118.0694 53.0342 39.4643 174.7012 75 V 4.2962 7.4445 117.6942 60.7004 34.1571 174.9927 76 V 4.1185 8.4339 126.8981 62.4914 30.9836 175.0981 77 E 4.3924 9.0524 127.1094 55.4067 30.6429 176.9216 78 G 3.9755 8.5435 106.3890 46.0050 0.0000 174.0201 79 N 4.6288 8.9604 116.8002 52.6973 36.8016 174.5728 80 E 4.5277 7.6424 116.8941 56.4468 30.7125 176.4361 81 Q 4.4106 9.0072 121.0064 54.3688 32.9571 173.9492 82 F 5.5624 8.9162 123.0757 55.9843 40.9506 175.2142 83 I 4.6987 8.7615 124.7359 59.3767 40.9168 175.6452 84 S 4.6220 8.6560 121.7660 58.2065 64.3110 173.2175 85 A 4.3485 8.2789 124.8153 52.2237 18.4528 177.6156 86 S 4.4758 9.1283 117.6647 60.2190 63.4201 174.3681 87 K 4.7387 7.5531 116.2557 55.7725 35.7938 174.8303 88 S 5.2112 8.7642 116.9535 56.9460 66.2461 173.7574 89 I 4.4842 9.1683 125.5643 59.4541 39.0354 174.9602 90 V 4.1892 8.3083 127.3324 62.2429 32.6309 175.2023 91 H 3.8315 8.6052 126.8617 56.0797 29.9852 174.4687 92 P 4.3114 0.0000 0.0000 65.4189 31.3932 177.1612 93 S 4.6978 7.9687 111.9758 58.2139 63.0412 173.3070 94 Y 4.2850 7.9958 123.2664 57.6348 39.0208 174.3790 95 N 4.5471 8.0838 125.6397 51.4338 39.7662 175.1275 96 S 3.9044 7.7697 120.0398 59.3795 63.6013 174.9691 97 N 4.4194 8.5135 119.3440 55.1766 38.7478 176.1018 98 T 3.9896 7.7432 105.4248 60.7232 69.9094 174.8069 99 L 3.7668 7.7796 120.8757 55.5814 39.8791 174.0211 100 N 4.4859 7.7021 117.0061 54.5831 39.6252 174.4036 101 N 4.8997 8.6269 119.0300 54.0458 35.9307 175.6925 102 D 4.7145 7.8844 117.6077 52.9758 39.8299 174.8706 103 I 4.8077 7.1534 120.9539 59.3263 42.3644 172.8982 104 M 5.4108 9.1422 126.3786 54.1850 36.3155 173.3141 105 L 5.4127 9.0876 124.2078 53.1457 45.1652 175.3841 106 I 5.0075 9.1233 123.4075 59.4415 40.5879 174.2606 107 K 3.7843 8.6690 128.5418 54.4427 33.7705 175.4594 108 L 4.4356 8.2064 127.6258 53.9399 42.1731 177.0233 109 K 4.0619 8.7385 124.2925 59.1692 32.5749 177.0485 110 S 4.6757 7.7219 112.3928 56.1317 66.9474 173.2114 111 A 4.4639 8.3106 123.1778 51.9862 18.8803 177.3360 112 A 4.4437 8.7912 122.5709 51.5361 20.1713 177.4461 113 S 4.5457 8.9310 116.5477 57.4712 63.5019 174.5845 114 L 4.6764 8.4827 125.3722 54.2036 43.3044 176.6805 115 N 4.5974 8.6672 118.6921 53.1189 40.0918 174.8668 116 S 4.3785 8.7866 110.2275 60.7060 63.7707 175.5019 117 R 4.1571 8.9514 120.1290 57.0303 30.6008 176.0181 118 V 4.5779 7.9154 117.0534 60.8759 33.7722 173.6353 119 A 5.1107 8.5201 127.9367 50.5474 23.0294 175.1166 120 S 5.1040 8.6722 114.1368 57.5533 65.1341 173.0095 121 I 4.4853 8.1153 120.4602 59.1613 39.8520 175.4135 122 S 4.4281 8.3401 123.1075 58.0141 63.7242 174.0134 123 L 4.2530 8.1136 123.4208 53.5223 42.3970 175.2027 124 P 4.5903 0.0000 0.0000 62.7719 32.6099 176.0719 125 T 4.2373 8.1817 107.8893 62.0644 70.2410 174.4046 *127 S 4.9271 7.5771 114.8364 58.2084 63.9957 173.9060 128 C 4.4708 8.3937 118.0424 56.4583 40.8950 173.2650 129 A 4.5146 7.9256 123.8087 51.2724 20.0983 177.2455 130 S 4.3860 8.0250 115.3679 57.0964 64.7951 173.5553 *132 A 4.2366 8.1442 123.8626 53.4094 19.1850 177.2616 133 G 3.9977 9.0813 109.7102 45.4275 0.0000 174.5129 134 T 3.9455 7.5362 117.3040 63.8081 69.4840 173.1780 135 Q 4.6402 8.5541 127.1502 55.4431 30.3512 175.1255 136 C 5.2819 9.2621 122.6346 55.1383 46.6598 172.2438 137 L 5.2061 8.8878 122.2191 53.4998 44.2166 175.0072 138 I 5.2559 8.9774 126.9066 58.7713 40.1669 174.8039 139 S 4.9364 8.8663 119.3442 56.2126 66.6248 173.0883 140 G 3.8814 7.2384 109.1741 45.9717 0.0000 172.6305 141 W 5.0327 8.4768 117.4556 56.2677 29.5251 177.1413 142 G 4.1671 8.2554 108.8808 44.1477 0.0000 173.5946 143 N 3.8220 8.5419 118.1747 54.3264 38.9293 174.6262 144 T 5.0860 8.1354 112.8576 60.5319 69.6662 174.2811 145 K 4.6145 7.8383 121.8073 54.7717 34.5043 176.2691 146 S 4.3991 8.6456 117.2619 59.9508 63.8690 174.6150 147 S 4.5236 8.1430 116.6943 53.5528 62.3409 171.8942 148 G 4.0501 7.5401 109.2026 43.2235 0.0000 170.3555 149 T 4.6309 8.1582 109.8784 59.7363 70.8621 173.6931 150 S 4.5465 9.4386 121.1889 56.6730 65.5316 171.8405 151 Y 4.9492 8.7590 125.1526 55.6726 39.5540 174.2892 152 P 4.7307 0.0000 0.0000 62.3388 33.2007 175.4680 153 D 4.6686 8.6882 117.3903 55.6782 41.7236 177.2388 154 V 5.4883 7.3985 109.9156 58.4373 34.5598 175.7613 155 L 3.1711 8.2860 123.9905 55.0475 42.9155 175.9788 156 K 4.9070 8.0561 124.6745 54.8886 35.1629 174.5837 157 C 5.3181 8.4594 119.4995 55.2007 45.2005 172.9221 158 L 4.9979 8.5404 122.1283 53.8137 45.6373 174.4346 159 K 5.0944 8.9739 125.1102 55.0403 33.7318 175.6917 160 A 4.8077 9.0353 126.1290 49.7535 23.1183 173.5462 161 P 5.0275 0.0000 0.0000 61.9549 33.9537 175.0558 162 I 4.4136 8.3171 122.3228 61.2279 38.2002 175.8806 163 L 4.8231 8.7256 127.3411 53.3286 43.3973 176.8600 164 S 4.4113 8.4151 114.7719 58.0416 64.0230 175.1311 165 D 4.4600 8.6761 121.6559 57.4762 40.4589 179.2269 166 S 4.1417 8.0158 114.5081 61.6222 63.1156 176.6708 167 S 4.1134 7.9794 118.5673 61.1574 62.5519 175.7827 168 C 4.3250 8.2781 121.2338 59.8751 42.5419 175.9584 169 K 4.0062 8.4308 120.2162 59.4810 31.3483 179.6476 170 S 4.1992 8.1807 114.8897 61.3127 62.7719 176.1590 171 A 4.0049 7.8418 122.9610 53.7642 19.7136 177.3922 172 Y 4.8720 7.8856 113.7629 55.2735 38.2544 173.5293 173 P 4.5829 0.0000 0.0000 63.6232 32.0277 177.7143 174 G 3.9609 9.0036 108.7419 46.2036 0.0000 173.6711 175 Q 4.5434 8.2624 116.4793 55.3461 30.0555 175.2521 176 I 4.4402 7.8438 119.9513 59.9062 38.3835 175.4974 177 T 4.5324 8.2210 115.9119 59.8146 70.8584 175.0986 178 S 4.4162 8.5217 114.2898 59.8999 63.2733 174.1728 179 N 5.0000 8.1738 118.5464 53.4315 38.5673 173.8528 180 M 5.6367 7.7635 116.9586 53.9674 36.3492 174.4514 181 F 5.0751 8.6458 114.4588 56.0690 42.0303 172.3843 182 C 5.5494 9.0512 116.4551 55.6315 42.4629 172.7141 183 A 5.0374 9.4039 122.6614 50.8801 22.5052 176.5394 184 G 4.0099 6.8873 107.1822 44.7274 0.0000 171.9405 184A Y 4.6984 8.2921 118.5697 56.0850 40.9763 176.5727 185 L 4.1713 8.6428 125.0848 57.2218 42.0923 178.7912 186 E 4.0923 8.1994 115.3975 57.2379 29.8631 177.3332 187 G 3.8228 7.5832 106.2774 45.2070 0.0000 172.0986 188 G 4.1325 9.4082 105.8180 44.6517 0.0000 173.6593 188A K 5.0406 7.2603 117.2709 54.8330 35.4443 175.3258 189 D 4.6273 8.7840 123.1862 53.9658 45.7056 174.7650 190 S 5.0006 8.7462 116.7052 57.9275 65.4135 172.8872 191 C 4.7331 9.2252 118.7427 55.3534 47.0792 172.1713 192 Q 4.3666 8.6000 121.0728 58.1188 28.8217 176.5980 193 G 4.2331 9.2911 111.8359 45.8100 0.0000 174.0841 194 D 4.6955 8.3531 118.1816 55.1530 41.6936 176.6707 195 S 4.4906 8.0638 115.3563 60.5349 63.4644 175.2092 196 G 4.0127 8.8185 112.6023 46.4755 0.0000 173.7983 197 G 4.4930 7.9159 107.3137 44.8559 0.0000 171.1424 198 P 5.1643 0.0000 0.0000 62.3109 33.5536 175.8099 199 V 4.5843 8.4284 120.8769 61.4673 34.2743 173.9459 200 V 4.8543 8.7156 128.8088 61.2708 33.9708 173.7492 201 C 5.0983 8.7285 124.4167 55.7707 44.0218 174.5668 202 S 3.6921 9.8045 119.7181 59.7070 60.1564 173.2369 203 G 3.9113 8.3936 104.0776 45.7369 0.0000 173.8609 204 K 4.6800 7.6366 118.0089 53.0912 35.0349 175.5087 *209 L 4.3043 8.2393 122.6490 55.4391 42.1294 175.8059 210 Q 4.4764 8.7242 126.0901 56.7284 30.7049 175.8671 211 G 5.3646 8.0338 104.4247 45.6589 0.0000 171.3768 212 I 5.1102 8.1859 119.4530 58.8762 41.1132 175.3343 213 V 3.7271 8.8835 127.3599 63.9184 31.7705 174.0834 214 S 4.8778 8.5247 121.1128 58.5610 64.4312 174.6425 215 W 5.0721 7.5718 114.2702 55.9545 32.0247 172.6716 216 G 3.9566 8.4138 106.3750 46.5813 0.0000 173.3448 217 S 4.6838 8.4764 117.1958 57.1107 63.1496 173.7525 *219 G 4.3862 8.0366 115.8152 45.5806 0.0000 171.1040 220 C 4.9507 8.1263 115.4913 56.4650 44.4488 173.8325 221 A 4.0074 9.1601 126.0395 53.2051 16.5690 177.0102 221A Q 4.5752 7.2905 116.9933 56.0640 29.9774 175.9992 222 K 4.1740 8.4311 121.6768 57.9907 32.7373 175.9585 223 N 4.2670 9.2078 121.0522 54.0728 37.0470 175.4125 224 K 4.3092 7.5422 116.5135 53.6259 32.2765 173.6681 225 P 4.5942 0.0000 0.0000 62.2742 33.0160 177.2150 226 G 3.7087 8.4548 106.2068 45.8390 0.0000 172.8285 227 V 4.4223 7.4870 121.4778 60.6620 34.1364 174.0884 228 Y 4.8863 8.1565 124.5476 56.0070 41.9084 175.0163 229 T 4.4657 8.5320 119.6667 63.5159 70.1142 174.4269 230 K 5.0633 9.3358 128.3006 55.4379 31.4205 177.2244 231 V 3.9473 8.7925 126.4814 65.8782 31.4014 174.9040 232 C 4.3415 8.3790 112.6814 58.4339 41.4029 174.9767 233 N 4.2137 8.0555 117.0936 54.6167 38.4943 175.6245 234 Y 4.8068 8.0077 117.5902 57.4763 38.6879 177.3591 235 V 3.6868 7.8525 121.2651 66.3693 31.6121 178.0410 236 S 4.1235 8.0960 114.3406 61.1588 62.6462 176.2744 237 W 4.1289 8.2732 130.6100 60.5036 30.4872 177.8886 238 I 3.1628 8.3032 119.9866 64.1728 36.5039 178.5051 239 K 3.7347 8.0506 119.2750 59.6168 32.0228 179.4794 240 Q 3.8546 8.2397 118.5309 59.1820 28.3800 178.9980 241 T 3.5677 7.2987 115.8820 66.4273 68.6891 176.5904 242 I 2.7679 7.2657 121.5950 63.9728 36.8006 178.4193 243 A 4.0172 7.8013 120.6708 54.2903 18.1919 178.7395 244 S 4.6051 7.3718 109.7646 58.3703 63.5710 174.1190 245 N 4.6796 7.9164 125.4789 53.8367 39.2393 174.0115 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 4.29 1.79 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 1.40 0.76 0.90 0.00 0.00 17 V 8.50 4.41 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 1.03 0.00 0.00 0.95 0.00 0.00 18 G 8.45 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 19 G 7.75 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 20 Y 7.73 4.97 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 21 T 8.57 4.33 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 1.23 0.00 0.00 22 C 8.75 4.32 0.00 2.75 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 8.66 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 24 A 8.69 4.20 1.32 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 25 N 8.86 4.25 0.00 2.85 2.90 0.00 0.00 7.29 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 26 T 7.57 4.23 4.24 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 1.33 0.00 0.00 27 V 7.02 4.09 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 0.33 0.00 0.00 0.77 0.00 0.00 28 P 0.00 4.51 0.00 2.38 2.42 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.96 0.00 29 Y 6.80 4.98 0.00 3.18 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 30 Q 7.33 4.59 0.00 1.80 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.53 0.00 0.00 0.00 0.00 0.00 1.90 2.54 0.00 31 V 8.89 4.86 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 0.83 0.00 0.00 0.99 0.00 0.00 32 S 8.68 4.92 0.00 2.98 3.27 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 33 L 8.41 4.53 0.00 0.53 0.86 0.81 0.12 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 N 8.89 5.79 0.00 2.38 2.41 0.00 0.00 6.52 8.00 0.00 0.00 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 8.40 4.36 0.00 3.80 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 38 G 9.71 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 39 Y 6.65 4.49 0.00 3.02 2.93 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 40 H 8.84 4.61 0.00 2.84 3.16 0.00 5.86 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.65 4.92 0.00 3.14 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 42 C 6.63 4.72 0.00 2.35 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 43 G 8.47 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.91 4.52 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 0.00 0.00 0.00 45 S 8.69 5.54 0.00 3.83 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.15 4.66 0.00 1.87 1.68 1.08 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.54 4.49 1.90 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 1.56 0.90 0.95 0.00 0.00 48 N 7.56 4.74 0.00 3.00 3.00 0.00 0.00 6.15 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.61 4.40 0.00 4.05 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 9.20 4.55 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.94 0.00 0.00 0.00 0.00 0.00 2.07 2.19 0.00 51 W 8.39 5.57 0.00 3.37 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 52 V 9.04 5.19 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 1.14 0.00 0.00 0.98 0.00 0.00 53 V 8.73 4.95 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 0.74 0.00 0.00 1.02 0.00 0.00 54 S 9.04 5.10 0.00 3.88 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 8.50 4.77 1.21 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 56 A 8.31 3.81 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 8.29 4.55 0.00 3.36 3.53 0.00 5.55 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.90 4.72 0.00 3.20 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.77 4.11 0.00 3.01 2.95 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 60 K 6.51 3.69 0.00 1.49 1.33 0.00 0.76 0.00 0.00 1.29 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.62 0.93 7.81 61 S 8.19 4.37 0.00 3.94 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 62 G 8.42 3.67 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 0.00 0.00 0.00 63 I 7.53 4.34 1.85 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 1.39 0.60 0.91 0.00 0.00 64 Q 8.69 4.80 0.00 2.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 65 V 8.81 4.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.88 0.00 0.00 65A R 8.79 5.01 0.00 1.61 1.66 0.00 2.62 0.00 0.00 2.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.12 0.00 66 L 9.13 4.74 0.00 1.61 1.62 0.96 0.64 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 8.22 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.45 4.68 0.00 2.10 1.90 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 2.33 2.03 0.00 71 D 7.89 4.74 0.00 2.72 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.46 5.06 0.00 2.84 2.83 0.00 0.00 7.23 7.28 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 73 I 8.33 3.95 1.43 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.55 -0.51 0.00 0.00 74 N 8.72 4.80 0.00 2.80 2.87 0.00 0.00 6.63 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 75 V 7.44 4.30 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 0.73 0.00 0.00 0.99 0.00 0.00 76 V 8.43 4.12 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 0.75 0.00 0.00 0.94 0.00 0.00 77 E 9.05 4.39 0.00 2.00 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 2.46 0.00 78 G 8.54 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 79 N 8.96 4.63 0.00 2.92 3.16 0.00 0.00 6.94 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 80 E 7.64 4.53 0.00 1.56 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.47 0.00 81 Q 9.01 4.41 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 82 F 8.92 5.56 0.00 2.78 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 83 I 8.76 4.70 1.87 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 1.25 0.72 0.94 0.00 0.00 84 S 8.66 4.62 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 8.28 4.35 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 86 S 9.13 4.48 0.00 3.80 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 87 K 7.55 4.74 0.00 1.86 1.84 0.00 1.59 0.00 0.00 1.92 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.38 7.81 88 S 8.76 5.21 0.00 4.08 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 9.17 4.48 2.07 0.00 0.00 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 1.25 1.18 1.10 0.00 0.00 90 V 8.31 4.19 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 0.60 0.00 0.00 0.76 0.00 0.00 91 H 8.61 3.83 0.00 2.86 3.08 0.00 5.65 0.00 0.00 0.00 0.00 6.72 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 4.31 0.00 2.07 2.14 0.00 3.15 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 93 S 7.97 4.70 0.00 3.91 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 94 Y 8.00 4.28 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 95 N 8.08 4.55 0.00 2.61 2.45 0.00 0.00 6.54 7.09 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 96 S 7.77 3.90 0.00 3.95 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 97 N 8.51 4.42 0.00 2.70 2.78 0.00 0.00 6.79 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 98 T 7.74 3.99 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 1.14 0.00 0.00 99 L 7.78 3.77 0.00 1.48 1.88 0.76 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.70 4.49 0.00 2.76 2.64 0.00 0.00 7.26 7.98 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 0.00 101 N 8.63 4.90 0.00 3.03 2.57 0.00 0.00 7.21 8.28 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 0.00 102 D 7.88 4.71 0.00 3.06 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 7.15 4.81 1.45 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 1.33 1.18 0.20 0.00 0.00 104 M 9.14 5.41 0.00 2.13 1.83 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.64 0.00 105 L 9.09 5.41 0.00 1.84 1.88 0.27 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.12 5.01 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 1.20 0.84 0.88 0.00 0.00 107 K 8.67 3.78 0.00 0.79 1.10 0.00 1.31 0.00 0.00 1.34 0.00 0.00 2.61 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.66 0.21 7.81 108 L 8.21 4.44 0.00 1.47 1.55 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.74 4.06 0.00 1.79 1.80 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.39 7.81 110 S 7.72 4.68 0.00 3.81 3.67 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 0.00 111 A 8.31 4.46 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 8.79 4.44 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 0.00 113 S 8.93 4.55 0.00 3.76 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 8.48 4.68 0.00 1.66 1.62 0.99 1.08 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 8.67 4.60 0.00 2.72 2.71 0.00 0.00 6.96 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.79 4.38 0.00 4.02 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 8.95 4.16 0.00 2.03 2.02 0.00 3.12 0.00 0.00 3.10 7.39 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.58 4.93 0.00 4.00 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 0.00 128 C 8.39 4.47 0.00 2.94 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 0.00 129 A 7.93 4.51 1.03 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 0.00 130 S 8.03 4.39 0.00 3.84 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 *132 A 8.14 4.24 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 0.00 133 G 9.08 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 0.00 134 T 7.54 3.95 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 1.14 0.00 0.00 135 Q 8.55 4.64 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 136 C 9.26 5.28 0.00 2.79 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 0.00 137 L 8.89 5.21 0.00 1.77 1.56 1.05 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.98 5.26 1.88 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.60 1.02 0.00 0.00 139 S 8.87 4.94 0.00 3.49 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.24 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 0.00 141 W 8.48 5.03 0.00 3.10 2.95 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 0.00 142 G 8.26 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 0.00 0.00 0.00 143 N 8.54 3.82 0.00 2.25 2.63 0.00 0.00 7.03 8.77 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 0.00 144 T 8.14 5.09 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 1.27 0.00 0.00 145 K 7.84 4.61 0.00 1.76 1.70 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.31 1.33 7.81 146 S 8.65 4.40 0.00 3.99 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 0.00 147 S 8.14 4.52 0.00 3.84 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 7.54 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 0.00 149 T 8.16 4.63 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 1.27 0.00 0.00 150 S 9.44 4.55 0.00 3.76 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 8.76 4.95 0.00 2.99 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 0.00 152 P 0.00 4.73 0.00 2.43 2.11 0.00 4.19 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 2.18 2.04 0.00 153 D 8.69 4.67 0.00 2.80 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 0.00 154 V 7.40 5.49 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.97 0.00 0.00 155 L 8.29 3.17 0.00 1.42 1.26 -0.84 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.06 4.91 0.00 1.65 1.50 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.47 7.81 157 C 8.46 5.32 0.00 1.40 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 0.00 158 L 8.54 5.00 0.00 1.71 1.45 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.97 5.09 0.00 1.82 1.82 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.65 7.81 160 A 9.04 4.81 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 5.03 0.00 2.03 2.28 0.00 3.14 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.77 0.00 162 I 8.32 4.41 1.87 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.68 0.78 0.00 0.00 163 L 8.73 4.82 0.00 1.56 1.61 0.93 0.89 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 0.00 164 S 8.42 4.41 0.00 4.01 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 8.68 4.46 0.00 2.77 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 0.00 166 S 8.02 4.14 0.00 4.06 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 7.98 4.11 0.00 3.88 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 0.00 168 C 8.28 4.33 0.00 3.20 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 K 8.43 4.01 0.00 1.96 1.90 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.65 7.81 170 S 8.18 4.20 0.00 4.01 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 0.00 171 A 7.84 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Y 7.89 4.87 0.00 3.12 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 0.00 173 P 0.00 4.58 0.00 2.21 2.12 0.00 3.60 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 2.04 1.96 0.00 174 G 9.00 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 0.00 175 Q 8.26 4.54 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.98 0.00 0.00 0.00 0.00 0.00 2.29 2.56 0.00 176 I 7.84 4.44 1.98 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 1.88 0.97 1.00 0.00 0.00 177 T 8.22 4.53 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 1.27 0.00 0.00 178 S 8.52 4.42 0.00 4.01 4.04 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 0.00 179 N 8.17 5.00 0.00 3.08 3.12 0.00 0.00 6.64 7.59 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 0.00 180 M 7.76 5.64 0.00 1.81 1.98 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 2.64 2.60 0.00 181 F 8.65 5.08 0.00 3.01 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 0.00 182 C 9.05 5.55 0.00 2.98 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 0.00 183 A 9.40 5.04 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 G 6.89 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 184A Y 8.29 4.70 0.00 3.00 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 0.00 185 L 8.64 4.17 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 1.76 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.20 4.09 0.00 2.09 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 2.32 2.25 0.00 187 G 7.58 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 G 9.41 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 0.00 0.00 0.00 188A K 7.26 5.04 0.00 1.46 1.66 0.00 0.89 0.00 0.00 1.41 0.00 0.00 2.43 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.20 1.14 7.81 189 D 8.78 4.63 0.00 2.80 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 S 8.75 5.00 0.00 4.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 C 9.23 4.73 0.00 2.94 3.08 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 0.00 192 Q 8.60 4.37 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 5.24 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 193 G 9.29 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 0.00 0.00 0.00 0.00 194 D 8.35 4.70 0.00 2.97 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 0.00 195 S 8.06 4.49 0.00 3.98 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 G 8.82 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 0.00 197 G 7.92 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 P 0.00 5.16 0.00 2.31 2.35 0.00 3.70 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 2.23 2.24 0.00 199 V 8.43 4.58 2.27 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 0.81 0.00 0.00 0.68 0.00 0.00 200 V 8.72 4.85 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 0.89 0.00 0.00 0.64 0.00 0.00 201 C 8.73 5.10 0.00 2.80 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 0.00 202 S 9.80 3.69 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 0.00 203 G 8.39 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 0.00 204 K 7.64 4.68 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 2.99 0.00 0.00 0.00 0.00 1.47 1.40 7.81 *209 L 8.24 4.30 0.00 1.51 1.65 1.00 0.76 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 8.72 4.48 0.00 1.98 1.97 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 2.33 0.00 211 G 8.03 5.36 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 0.00 212 I 8.19 5.11 1.92 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 1.30 1.03 1.03 0.00 0.00 213 V 8.88 3.73 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 0.93 0.00 0.00 1.20 0.00 0.00 214 S 8.52 4.88 0.00 3.89 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 0.00 215 W 7.57 5.07 0.00 3.36 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 0.00 216 G 8.41 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 0.00 217 S 8.48 4.68 0.00 4.13 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 *219 G 8.04 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 0.00 220 C 8.13 4.95 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 0.00 221 A 9.16 4.01 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 221A Q 7.29 4.58 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 222 K 8.43 4.17 0.00 1.72 1.71 0.00 1.93 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.56 7.81 223 N 9.21 4.27 0.00 2.79 2.79 0.00 0.00 6.75 7.51 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 0.00 224 K 7.54 4.31 0.00 1.66 1.78 0.00 1.61 0.00 0.00 1.33 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 225 P 0.00 4.59 0.00 2.14 2.12 0.00 3.67 0.00 0.00 3.58 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 8.45 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 0.00 227 V 7.49 4.42 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 0.41 0.00 0.00 -0.77 0.00 0.00 228 Y 8.16 4.89 0.00 1.43 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 T 8.53 4.47 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 1.21 0.00 0.00 230 K 9.34 5.06 0.00 2.11 1.92 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.64 7.81 231 V 8.79 3.95 2.35 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 1.17 0.00 0.00 1.12 0.00 0.00 232 C 8.38 4.34 0.00 3.17 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 N 8.06 4.21 0.00 2.39 2.37 0.00 0.00 6.96 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 0.00 234 Y 8.01 4.81 0.00 3.08 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 0.00 235 V 7.85 3.69 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 1.11 0.00 0.00 1.12 0.00 0.00 236 S 8.10 4.12 0.00 3.97 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 0.00 237 W 8.27 4.13 0.00 3.51 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 0.00 238 I 8.30 3.16 2.03 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 1.66 1.03 0.76 0.00 0.00 239 K 8.05 3.73 0.00 1.85 1.77 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.58 7.81 240 Q 8.24 3.85 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 241 T 7.30 3.57 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 0.77 0.00 0.00 242 I 7.27 2.77 1.42 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 -0.30 0.28 0.39 0.00 0.00 243 A 7.80 4.02 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 0.00 244 S 7.37 4.61 0.00 4.04 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 0.00 245 N 7.92 4.68 0.00 3.08 3.05 0.00 0.00 6.76 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 * Residues marked with a * may have inaccurate shift predictions.