NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 S 4.4535 8.3193 115.2911 58.1728 63.6662 173.1719 13 T 4.6017 7.0805 112.4373 58.9469 73.5942 173.1405 14 D 4.4974 9.0237 124.2577 57.4164 41.3512 180.1618 15 A 4.0823 7.9449 120.8758 55.2814 18.6551 179.3994 16 S 3.9450 8.3298 111.8865 61.7415 62.5401 175.7652 17 Y 4.2482 8.0728 121.8166 60.6871 38.5150 176.8767 18 N 4.0497 9.1467 118.6101 55.9302 38.5979 176.7876 19 A 3.9085 8.7302 122.4169 55.8285 18.6222 178.5736 20 D 4.2553 7.8922 115.7551 58.1281 41.2354 178.8755 21 I 3.9972 7.6180 114.5399 62.7508 37.5515 178.1703 22 K 3.8411 7.9312 122.0547 59.6244 31.9253 178.5565 23 E 4.6719 8.0460 118.1503 58.2473 29.4411 178.4455 24 E 4.2561 7.5927 117.5736 58.4528 29.6370 178.7679 25 R 4.0830 7.8606 117.8497 57.6603 31.8416 177.2762 26 D 5.0036 8.2187 118.7238 50.2215 38.3541 176.2118 27 A 4.5053 7.2688 118.6257 53.4083 25.7386 176.4513 28 A 4.8113 7.7651 117.7916 50.0985 19.1370 176.1210 29 E 4.7917 7.8302 120.0009 55.0418 33.5892 176.3134 30 G 4.2218 9.3716 111.7452 44.3273 0.0000 170.4665 31 P 4.3734 0.0000 0.0000 60.1306 31.6126 176.0825 32 M 4.4120 8.6512 121.8018 54.9343 31.8804 173.8782 33 A 4.5321 7.7106 118.2971 52.6927 21.7957 176.5319 34 H 4.7560 7.9420 110.7946 55.5559 29.3838 176.6120 35 G 4.0281 8.5213 108.0470 44.9022 0.0000 173.8874 36 I 4.5352 7.5094 121.4324 58.6141 39.0739 173.8099 37 P 4.8921 0.0000 0.0000 63.2140 32.2379 175.1746 38 A 4.8097 8.5289 119.8035 49.9837 22.6822 176.0488 39 L 4.4409 8.5955 120.2294 54.5857 42.7915 177.0332 40 N 4.3854 8.6673 118.3517 53.2726 39.4153 175.8982 41 A 4.2729 8.2084 124.8052 51.5058 20.5227 177.8741 *43 G 3.8540 8.4533 104.0553 45.2877 0.0000 173.6397 44 A 4.3290 8.0281 123.4243 52.4086 18.0622 177.4812 45 L 4.7069 7.6289 119.6016 54.2524 44.6225 176.7156 46 D 4.6054 8.4581 123.6739 53.4811 41.5891 177.2617 47 E 3.9065 8.8204 120.2756 58.5954 29.5311 177.0786 48 A 4.5920 7.6259 122.0435 51.9044 19.0036 177.1400 49 R 4.3922 7.9374 112.6573 57.8036 32.0649 174.9452 50 A 4.1680 7.4048 120.6046 53.0174 20.0094 176.6003 51 Y 5.3128 7.6176 112.8737 55.9442 40.4348 174.9851 52 A 4.8580 9.1453 126.2793 50.4556 22.0154 175.2016 53 T 5.2612 8.5305 117.6278 61.7768 70.9952 173.9258 54 V 4.5193 8.8515 125.8877 61.2294 34.6063 174.0941 55 D 5.4493 8.6939 126.2587 53.1830 43.5818 176.2612 56 S 4.4776 8.7852 115.6639 57.4998 65.3545 172.8516 57 A 5.0541 8.6786 128.6878 51.6733 22.2187 176.2729 58 N 4.8802 8.5570 114.7912 53.9484 39.1290 176.5481 *60 T 4.0335 9.1087 100.9629 61.2186 70.7254 174.5343 61 D 4.6857 8.4076 119.0824 54.7885 37.8175 174.7212 62 E 4.6272 9.1687 121.0161 54.9447 30.2318 174.7352 63 E 5.1735 8.6280 122.0969 54.7574 32.8253 175.2393 64 V 4.6785 8.7095 113.9721 59.7185 36.5939 174.1676 65 S 5.0567 8.4053 114.3965 57.1587 65.6543 172.6562 66 V 4.6957 9.4466 127.4338 61.4039 34.0357 174.4345 67 A 5.1693 8.7624 129.6420 50.4448 19.1553 175.8366 68 V 4.5661 8.6522 114.4771 60.7000 34.2854 174.4769 69 D 5.0696 9.3339 123.7617 53.8679 42.0458 177.1453 70 V 3.9661 8.5096 118.6290 62.6893 31.5972 177.4470 71 T 4.3974 8.4659 117.7702 64.6106 68.7501 175.3420 72 N 5.1194 7.8471 113.6173 51.6466 38.3098 173.8249 73 L 3.6692 8.3757 117.2495 56.0571 39.6424 173.9580 74 A 4.6100 7.9055 119.1412 50.6476 21.3209 177.6030 75 V 4.2601 8.2746 121.1630 62.6411 31.5745 176.2114 76 V 4.2206 9.4837 121.8046 61.2132 32.9373 175.8629 77 A 4.9679 7.5453 123.3613 52.0746 21.5243 174.5632 78 Y 5.7422 7.3782 115.3240 56.2404 41.2327 174.1231 79 R 4.4385 8.2565 121.9317 54.3195 31.6892 175.7827 80 A 4.6313 8.6952 126.5320 51.1487 18.6537 175.6443 81 G 4.1711 8.1835 118.3791 44.8209 0.0000 173.3596 82 S 4.7425 7.6003 109.5805 56.7573 65.6340 172.1566 83 N 5.3878 8.0582 117.7995 51.7293 42.2728 173.3858 84 S 4.9178 8.1077 115.9119 56.7753 67.0829 173.1265 85 Y 4.7837 8.5122 118.2807 56.6000 41.1250 174.2077 86 F 5.0443 9.3107 123.6502 56.0291 40.8526 175.7323 87 H 4.4177 8.8865 119.4983 55.4575 29.3636 176.2429 88 A 3.9078 8.6017 124.5765 55.5664 18.2735 178.6169 89 A 4.3754 7.9676 115.8038 52.3021 18.4142 176.5627 90 A 4.3791 7.9510 122.7488 51.6968 19.3424 177.0550 91 P 4.4934 0.0000 0.0000 62.2981 32.4233 177.5137 92 G 3.6425 8.8207 106.4307 48.1939 0.0000 175.8638 93 S 4.0963 8.0590 115.0193 60.0388 62.9044 175.3845 94 S 4.3882 7.7743 116.0083 60.5178 62.1120 175.3768 95 L 4.0475 8.0649 122.4819 57.1144 41.2004 178.5622 96 S 4.4756 7.7236 110.0068 59.3414 62.9951 174.6107 97 H 4.7329 7.7266 114.8225 55.3229 29.6106 174.1954 98 L 3.7724 8.3863 121.4460 55.7138 42.1049 176.9336 99 F 5.1870 8.4927 116.0707 56.2072 40.3654 176.9247 100 S 4.1769 8.1055 117.9504 61.7497 63.1538 176.5802 101 R 4.0438 7.5169 114.4990 56.3599 29.2024 174.9105 102 S 4.7730 7.6994 110.8859 56.3475 66.1301 174.2746 103 S 4.4232 8.6613 116.2917 56.9456 62.2505 174.2845 104 Q 4.1036 8.1085 125.4311 56.4316 30.0145 174.5464 105 H 4.8789 8.1676 118.5651 55.1843 34.0540 172.6477 106 T 5.1207 8.2900 115.4666 62.0523 71.7539 174.0220 107 L 4.4391 8.8268 125.9276 53.4303 43.5101 176.4176 108 G 4.3335 8.5555 106.8639 46.0446 0.0000 173.0610 109 F 5.1067 7.4848 114.4699 55.9172 40.8141 172.7066 110 D 5.2911 9.9226 122.5191 52.6943 42.7848 177.0264 111 N 4.6775 8.4568 115.8869 53.8656 37.5591 175.9272 112 T 4.0509 7.4019 109.5406 61.9877 71.0952 175.1126 113 Y 4.5030 8.2400 120.2521 61.2153 37.7240 178.5368 114 G 4.0308 8.3184 106.0843 47.5831 0.0000 174.8699 115 D 4.5557 7.9487 120.7154 57.2991 41.3995 178.4513 116 M 3.7276 8.5651 118.7058 57.3711 31.8692 178.8496 117 A 3.9388 8.5064 122.1127 55.1176 18.5829 179.3066 118 Q 3.9136 7.4216 113.7236 60.0066 28.9230 178.5725 119 A 3.7310 8.0598 120.0563 53.7709 18.0997 178.7450 120 A 4.0226 7.4594 120.1986 53.9643 19.0148 179.2302 121 G 3.8784 8.8490 103.0142 45.3564 0.0000 172.9201 122 S 4.5586 7.0395 112.9392 58.1426 65.1880 171.9286 123 N 4.5663 8.5750 113.3003 52.6063 39.4052 175.8329 124 R 3.7548 8.1722 118.5363 59.3527 30.2493 179.0454 125 K 4.5680 7.7212 116.4088 57.9642 32.3099 176.8105 126 A 4.6967 8.5681 122.9407 51.2958 19.4896 176.8398 127 I 4.4421 7.4006 121.8240 60.4558 41.2325 173.8449 128 P 4.4387 0.0000 0.0000 62.7060 31.8457 175.7469 129 L 4.6504 9.7902 123.3038 53.1065 46.4146 175.6269 130 G 3.8759 8.6154 104.7357 43.9832 0.0000 174.0978 131 A 3.8592 8.6717 121.7254 55.4243 18.6922 178.5079 132 A 4.4844 7.6904 118.7860 50.0585 16.7360 174.9126 133 A 4.3026 7.4574 131.8197 51.0925 24.7663 178.9255 134 L 4.2746 7.2247 114.0156 56.9533 40.2357 178.6044 135 E 3.8675 7.9568 121.8665 59.3307 29.7168 178.1919 136 S 4.4729 7.9759 112.5320 59.5165 63.3080 176.2867 137 G 3.5287 7.8075 110.1643 48.0652 0.0000 175.8600 138 I 3.6844 7.8229 122.3557 63.6573 37.0503 178.2393 139 A 4.3550 7.2784 123.4699 54.9381 18.2930 179.5612 140 S 4.1195 8.0004 113.2194 62.0539 62.6775 177.1449 141 L 3.7838 7.2562 120.0470 57.5643 41.4770 178.2979 142 N 4.4395 8.4306 116.5955 55.6944 39.1002 176.5817 143 S 4.1998 8.9078 115.2344 57.0585 62.6975 174.2324 144 K 4.1018 6.0109 134.4399 57.0334 39.4828 176.5456 145 N 4.2657 9.9795 114.1492 54.3394 39.5180 173.1749 146 P 3.7228 0.0000 0.0000 64.7492 27.6879 175.6962 *151 L 4.5501 7.6183 118.0895 55.0143 42.9661 178.7790 152 A 4.0814 8.0344 122.3034 55.7879 18.1760 179.8010 153 R 3.8425 7.9102 116.0562 59.5020 30.3097 178.8522 154 T 3.9874 7.5432 106.5867 63.4714 68.4906 175.6268 155 L 4.2707 7.9653 122.4076 57.0127 41.9830 178.7888 156 M 4.1149 8.3130 119.6180 57.9974 31.8230 178.7552 157 V 4.2965 7.4895 116.5712 61.9977 33.3730 176.5435 158 I 4.5407 7.4511 118.5233 63.4418 41.2703 177.8023 159 I 3.7477 8.2354 121.2284 64.5976 36.6350 178.6733 160 Q 4.1325 7.7380 117.9057 59.2049 28.6461 178.2830 161 M 4.2970 7.9655 118.0401 56.8533 32.1975 176.5563 162 L 4.5588 8.0234 119.3157 56.3932 44.3637 177.4576 163 V 3.8074 8.2016 118.2439 65.3566 31.7461 176.9692 164 E 4.1223 8.2239 115.7497 56.9136 29.3227 176.8102 165 A 4.6706 7.8119 117.7525 52.9795 20.3082 177.9776 166 A 4.2074 7.7031 118.2643 53.7756 19.1910 179.2366 167 R 3.9116 7.5975 113.3973 56.6697 29.7181 176.6414 168 F 5.0030 7.2861 117.8975 54.9089 42.0556 175.9662 169 R 4.1134 8.8987 125.0581 59.2760 29.9316 178.4310 170 Y 4.1704 8.2190 119.3118 60.7214 38.9159 177.6227 171 I 3.9101 7.8820 119.4346 63.5399 37.2570 178.2804 172 Q 4.2961 8.0238 120.1157 58.4667 28.9471 176.9312 173 N 4.5796 8.1510 116.8114 54.4426 39.1524 175.8341 174 N 4.1500 7.4006 116.5622 55.8800 39.2178 176.7407 175 V 3.9139 7.8428 117.9414 64.0315 31.7552 176.7941 176 D 4.4309 7.8198 117.1386 56.9179 41.9328 178.1280 177 V 3.6621 7.3165 117.4700 65.1674 31.2874 177.5788 178 S 3.9549 7.4351 112.5692 61.4700 62.1363 175.6169 179 I 3.5856 7.0513 122.4754 65.1045 36.9852 176.9375 180 E 3.8981 8.1858 119.6889 58.4626 29.2706 177.8642 181 T 3.8497 7.6152 121.8030 64.3904 69.3222 173.7905 182 Q 3.5679 8.2672 120.9722 57.1886 28.0377 172.5056 183 S 4.9037 7.9581 111.6563 55.9496 65.7022 171.7086 184 A 5.1832 7.9630 120.5516 50.8700 22.2611 175.1928 185 F 4.7281 8.2814 111.6480 56.5791 41.4747 172.8644 186 A 4.8953 8.6940 120.4237 48.7921 22.2527 176.1001 187 A 4.0410 7.9633 122.3071 51.6311 18.8645 177.9282 188 D 4.9963 8.4902 124.3093 52.9907 43.1463 176.3236 189 A 4.1000 8.5352 119.0253 54.4690 18.2568 179.7523 190 A 3.8768 7.8962 119.5954 55.6973 18.6875 179.6205 191 M 4.1375 8.0044 115.8488 58.2652 31.9507 179.1443 192 I 3.6641 7.5479 120.4678 64.3338 37.3742 178.4783 193 S 4.1209 7.8936 114.7741 61.5309 62.4950 176.4153 194 L 3.7251 7.2478 121.6007 57.2292 41.3474 179.0399 195 E 4.4414 8.2237 117.3804 59.7476 29.6678 178.8581 196 N 4.8472 8.5064 113.4411 54.4576 39.0547 176.0139 197 N 5.0316 7.9171 117.7821 53.0362 39.5478 176.4433 198 W 4.5807 8.4425 133.0141 60.1511 31.0158 177.6888 199 A 3.8027 8.0178 120.5954 54.6379 18.0230 178.8085 200 N 4.1858 8.1951 115.1045 57.5068 39.2566 176.3084 201 L 3.8527 8.0916 119.7557 58.6685 42.2002 178.8102 202 S 3.9177 7.9460 113.1041 61.9529 63.0208 176.6496 203 A 3.9250 7.8244 122.1536 55.7119 18.3635 179.8771 204 L 3.9386 8.8967 117.9638 57.3994 41.4362 179.4131 205 V 4.1195 7.8732 112.2085 61.6510 31.9145 177.2611 206 Q 4.4853 7.9017 117.1586 57.3501 29.7870 177.6533 207 G 3.7728 8.7414 106.0038 45.9000 0.0000 175.0956 208 S 4.6285 7.4575 118.2736 57.2921 59.9270 174.2447 209 S 4.5171 7.7208 121.7379 59.6209 65.7901 176.7372 *601 G 3.9695 8.0816 107.5085 44.6833 0.0000 172.8385 602 G 3.7320 8.0037 112.3509 45.6186 0.0000 173.3962 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 12 S 8.32 4.45 0.00 3.84 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 13 T 7.08 4.60 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 1.23 0.00 0.00 14 D 9.02 4.50 0.00 2.76 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 15 A 7.94 4.08 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.33 3.95 0.00 3.93 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 17 Y 8.07 4.25 0.00 3.11 3.21 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 18 N 9.15 4.05 0.00 2.91 2.76 0.00 0.00 6.83 6.97 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 19 A 8.73 3.91 1.31 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 0.00 0.00 0.00 20 D 7.89 4.26 0.00 2.89 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 21 I 7.62 4.00 1.73 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.10 0.60 0.00 0.00 22 K 7.93 3.84 0.00 2.07 1.85 0.00 1.49 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.49 7.81 23 E 8.05 4.67 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 24 E 7.59 4.26 0.00 2.12 1.94 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 2.27 2.37 0.00 25 R 7.86 4.08 0.00 1.92 1.96 0.00 3.09 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 26 D 8.22 5.00 0.00 2.80 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 27 A 7.27 4.51 1.31 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 0.00 0.00 0.00 28 A 7.77 4.81 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 29 E 7.83 4.79 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 30 G 9.37 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 31 P 0.00 4.37 0.00 1.97 1.97 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.14 0.00 32 M 8.65 4.41 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 33 A 7.71 4.53 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 34 H 7.94 4.76 0.00 3.16 3.32 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.52 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 36 I 7.51 4.54 1.91 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 1.45 1.26 0.96 0.00 0.00 37 P 0.00 4.89 0.00 2.09 2.22 0.00 3.75 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 2.01 2.00 0.00 38 A 8.53 4.81 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 39 L 8.60 4.44 0.00 1.66 1.87 1.34 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.67 4.39 0.00 2.74 2.71 0.00 0.00 6.77 7.54 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 41 A 8.21 4.27 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *43 G 8.45 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 0.00 0.00 0.00 44 A 8.03 4.33 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 45 L 7.63 4.71 0.00 1.53 1.47 0.88 1.09 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 46 D 8.46 4.61 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.82 3.91 0.00 2.32 2.24 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 2.33 2.35 0.00 48 A 7.63 4.59 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 7.94 4.39 0.00 1.81 1.92 0.00 3.24 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.42 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0.00 7.08 7.10 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 *60 T 9.11 4.03 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 1.20 0.00 0.00 61 D 8.41 4.69 0.00 2.82 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 62 E 9.17 4.63 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 2.24 2.23 0.00 63 E 8.63 5.17 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 64 V 8.71 4.68 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 0.77 0.00 0.00 0.90 0.00 0.00 65 S 8.41 5.06 0.00 3.71 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 9.45 4.70 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 1.03 0.00 0.00 0.97 0.00 0.00 67 A 8.76 5.17 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.83 0.00 0.00 0.00 0.00 1.42 1.57 7.81 126 A 8.57 4.70 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 0.00 127 I 7.40 4.44 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.92 0.81 0.00 0.00 128 P 0.00 4.44 0.00 1.86 1.91 0.00 3.53 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 1.97 2.05 0.00 129 L 9.79 4.65 0.00 1.04 1.42 0.27 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.62 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 0.00 131 A 8.67 3.86 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 7.69 4.48 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 A 7.46 4.30 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 0.00 134 L 7.22 4.27 0.00 1.95 2.07 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 135 E 7.96 3.87 0.00 2.24 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 136 S 7.98 4.47 0.00 4.06 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 0.00 137 G 7.81 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 0.00 0.00 0.00 0.00 138 I 7.82 3.68 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.75 0.95 0.00 0.00 139 A 7.28 4.36 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.00 4.12 0.00 3.99 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 0.00 141 L 7.26 3.78 0.00 1.62 1.53 -0.22 0.62 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 0.00 142 N 8.43 4.44 0.00 2.73 2.98 0.00 0.00 7.41 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 0.00 143 S 8.91 4.20 0.00 3.99 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 6.01 4.10 0.00 1.66 1.03 0.00 1.52 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.30 1.36 7.81 145 N 9.98 4.27 0.00 2.74 2.84 0.00 0.00 6.95 8.02 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 0.00 146 P 0.00 3.72 0.00 2.09 2.31 0.00 3.72 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 1.98 2.08 0.00 *151 L 7.62 4.55 0.00 1.77 2.30 0.94 0.84 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 0.00 152 A 8.03 4.08 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 0.00 153 R 7.91 3.84 0.00 1.82 1.94 0.00 3.09 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 154 T 7.54 3.99 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 155 L 7.97 4.27 0.00 2.00 1.82 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 156 M 8.31 4.11 0.00 1.90 2.24 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.65 0.00 157 V 7.49 4.30 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 0.80 0.00 0.00 0.88 0.00 0.00 158 I 7.45 4.54 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.94 0.89 0.00 0.00 159 I 8.24 3.75 2.09 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.87 0.99 0.00 0.00 160 Q 7.74 4.13 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.03 0.00 0.00 0.00 0.00 0.00 2.54 2.33 0.00 161 M 7.97 4.30 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 162 L 8.02 4.56 0.00 1.81 1.67 0.96 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 163 V 8.20 3.81 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 0.80 0.00 0.00 0.93 0.00 0.00 164 E 8.22 4.12 0.00 2.06 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 2.67 2.58 0.00 165 A 7.81 4.67 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 0.00 166 A 7.70 4.21 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 R 7.60 3.91 0.00 0.67 1.16 0.00 2.21 0.00 0.00 2.69 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.11 0.00 168 F 7.29 5.00 0.00 3.16 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 0.00 169 R 8.90 4.11 0.00 1.96 2.09 0.00 3.16 0.00 0.00 3.31 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 170 Y 8.22 4.17 0.00 3.08 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 0.00 171 I 7.88 3.91 2.17 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.65 1.06 0.00 0.00 172 Q 8.02 4.30 0.00 2.31 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.01 0.00 0.00 0.00 0.00 0.00 2.69 2.33 0.00 173 N 8.15 4.58 0.00 3.05 2.72 0.00 0.00 7.14 6.87 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 0.00 174 N 7.40 4.15 0.00 2.88 2.79 0.00 0.00 6.57 7.56 0.00 0.00 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 V 7.84 3.91 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 0.72 0.00 0.00 1.09 0.00 0.00 176 D 7.82 4.43 0.00 3.18 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 V 7.32 3.66 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 0.88 0.00 0.00 0.90 0.00 0.00 178 S 7.44 3.95 0.00 4.08 3.72 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 0.00 179 I 7.05 3.59 1.79 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.59 0.89 0.00 0.00 180 E 8.19 3.90 0.00 2.09 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 2.29 2.33 0.00 181 T 7.62 3.85 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 1.17 0.00 0.00 182 Q 8.27 3.57 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.59 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 183 S 7.96 4.90 0.00 3.97 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 0.00 184 A 7.96 5.18 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 0.00 185 F 8.28 4.73 0.00 3.04 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 0.00 186 A 8.69 4.90 1.12 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 0.00 187 A 7.96 4.04 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 0.00 188 D 8.49 5.00 0.00 3.01 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 0.00 189 A 8.54 4.10 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 0.00 190 A 7.90 3.88 1.54 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 0.00 0.00 191 M 8.00 4.14 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.83 0.00 192 I 7.55 3.66 1.86 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 1.92 0.90 0.96 0.00 0.00 193 S 7.89 4.12 0.00 4.06 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 0.00 194 L 7.25 3.73 0.00 1.49 0.74 0.66 0.34 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 0.00 195 E 8.22 4.44 0.00 2.20 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 0.00 2.54 2.64 0.00 196 N 8.51 4.85 0.00 2.74 2.97 0.00 0.00 7.02 7.73 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 0.00 197 N 7.92 5.03 0.00 2.93 2.86 0.00 0.00 6.53 8.17 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 0.00 198 W 8.44 4.58 0.00 3.82 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 A 8.02 3.80 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 0.00 200 N 8.20 4.19 0.00 2.80 2.83 0.00 0.00 6.80 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 0.00 201 L 8.09 3.85 0.00 2.21 1.63 1.20 0.84 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 0.00 202 S 7.95 3.92 0.00 3.73 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 0.00 203 A 7.82 3.92 1.37 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 0.00 0.00 0.00 204 L 8.90 3.94 0.00 1.87 1.73 0.92 0.91 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 0.00 205 V 7.87 4.12 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 1.01 0.00 0.00 1.00 0.00 0.00 206 Q 7.90 4.49 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 207 G 8.74 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 0.00 0.00 0.00 208 S 7.46 4.63 0.00 4.16 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 0.00 209 S 7.72 4.52 0.00 3.85 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 *601 G 8.08 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 602 G 8.00 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.