NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 G 4.1585 8.2127 108.0386 46.3261 0.0000 171.5237 25 K 5.3077 9.1749 120.6064 54.2685 34.8304 173.7264 26 L 5.3311 9.8975 126.7117 53.0216 46.7973 174.7343 27 L 5.1312 8.4213 122.4648 53.0706 44.3560 175.3720 28 F 5.3641 9.0635 123.3624 56.4209 40.4848 175.0869 29 L 4.4426 9.6046 123.1916 52.1287 45.9463 175.8834 30 G 3.6195 7.7219 107.4898 43.4864 0.0000 172.4432 31 L 4.1945 7.8549 120.6540 54.3156 42.2176 176.8878 32 D 4.4143 8.3429 119.6923 54.8174 39.7679 176.4742 33 N 4.4547 8.9708 118.2634 53.7073 38.0706 174.9069 34 A 4.0372 7.5575 120.0701 55.8074 18.7569 177.9622 35 G 4.0065 8.4965 104.0930 45.8197 0.0000 175.8851 36 K 3.8324 8.4582 121.3635 59.7556 32.0554 179.2906 37 T 4.1649 7.7849 116.6694 66.3309 68.4037 176.7959 38 T 3.8506 7.8566 117.2673 66.4401 68.4551 176.2403 39 L 3.7315 7.8717 122.1583 58.0323 41.8535 178.4497 40 L 4.0911 8.2779 120.5613 58.6886 41.8994 178.5795 41 H 4.0790 8.4044 117.8446 59.4020 29.8817 176.6907 42 M 4.1804 8.1026 120.0347 58.8310 31.8658 177.6359 43 L 4.2496 7.9746 115.4617 55.5592 41.7495 177.6279 44 K 4.3830 7.2867 119.3578 57.1481 34.0336 176.6301 45 N 4.8291 8.4068 113.9404 51.6435 39.1407 174.1877 46 D 5.0362 8.0764 118.4879 55.0573 40.5213 173.2211 47 R 4.7137 7.4415 112.9916 53.6795 33.7506 175.0526 48 L 4.3730 8.3433 122.4530 54.3820 43.2632 175.7197 49 A 4.4825 7.9824 125.3979 51.3011 21.8604 176.4521 50 T 4.2625 8.2165 116.5280 60.5176 66.5502 174.1090 51 L 4.5071 7.9181 127.8642 52.9092 43.5802 176.2938 52 Q 4.3746 8.1166 117.9832 54.0613 30.0258 173.7657 53 P 4.1816 0.0000 0.0000 63.2010 31.5663 176.8123 54 T 4.0119 8.5546 120.0774 63.8783 68.6758 172.9747 55 W 4.7539 8.5508 133.9587 58.4493 32.1643 175.3972 56 H 5.0442 7.6294 115.4506 53.0663 30.7167 172.9781 57 P 4.7875 0.0000 0.0000 63.0693 31.9805 175.8292 58 T 4.9233 8.8758 112.4803 59.9378 72.4537 172.7298 59 S 4.8569 8.3335 116.0657 56.8522 66.3279 172.9358 60 E 4.5886 8.2273 118.9116 55.0731 34.3921 173.8761 61 E 4.6502 8.6578 124.8928 55.6002 30.3005 175.3157 62 L 4.7862 9.4767 127.9248 52.9617 44.8675 175.7119 63 A 4.9318 8.5329 123.4096 50.3211 20.7897 175.9511 64 I 4.3413 8.3698 122.5068 62.2494 40.6038 175.1478 65 G 4.0584 8.9080 114.6136 45.4400 0.0000 173.0333 66 N 4.7462 8.5626 122.9803 52.9293 38.9818 174.2992 67 I 4.1443 6.9748 120.4013 59.2210 39.1305 174.5366 68 K 4.5653 8.2013 124.2663 55.0047 33.3973 175.7711 69 F 5.2233 9.6345 126.1423 56.1489 41.0190 175.6116 70 T 4.4900 8.9698 122.5684 63.3215 69.1793 173.8476 71 T 4.9764 8.4644 117.5394 59.6915 71.7120 173.0648 72 F 5.0211 9.2210 123.6811 55.8409 41.5133 174.0033 73 D 5.1285 9.0732 123.2222 52.4516 43.2566 174.9103 74 L 4.7791 7.8821 125.1609 52.4672 45.2556 176.7054 75 G 3.8862 8.9050 110.2360 45.8544 0.0000 173.9182 76 G 4.4653 8.9456 110.2941 44.3482 0.0000 173.3884 77 H 4.3693 8.2616 116.7010 54.9164 29.2579 176.0400 78 I 3.4529 8.6483 123.1454 64.5014 37.9129 177.6071 79 Q 3.8736 8.0652 117.3198 58.2424 29.0516 176.5865 80 A 4.4847 7.9294 119.5233 52.1784 19.3201 178.5137 81 R 3.0063 7.3199 116.9996 57.6650 29.7383 178.5870 82 R 4.0273 7.5561 115.2684 58.4761 29.9481 178.0694 83 L 4.2310 7.8789 119.8962 56.9450 41.6676 178.8731 84 W 4.5186 7.8809 118.3561 59.9361 29.0196 178.6036 85 K 2.0000 7.7783 117.5335 59.2857 31.5837 178.4660 86 D 4.3003 8.2919 119.3812 56.2438 40.7369 176.9745 87 Y 4.1888 7.4035 115.0444 57.7301 38.5184 177.1440 88 F 4.7374 7.7734 120.4501 59.0052 39.0917 173.8835 89 P 4.3653 0.0000 0.0000 64.1808 31.5491 175.4984 90 E 3.8553 8.8170 120.4029 57.1492 27.2693 174.8191 91 V 3.9751 7.3368 116.3491 62.8167 32.1200 175.4442 92 N 4.7347 8.6508 124.3448 54.6163 39.2808 175.2678 93 G 4.1274 7.3809 103.4654 45.6718 0.0000 172.4325 94 I 4.7956 7.9183 121.3654 59.0966 41.1510 174.6633 95 V 4.3009 8.5184 126.7570 61.1874 33.4757 174.0138 96 F 4.8317 9.1011 132.0565 56.7637 40.7757 174.5675 97 L 4.9644 8.2402 126.9428 53.6984 43.9667 176.0443 98 V 4.4125 8.3857 121.1718 61.3521 35.5695 173.6147 99 D 4.8962 9.0577 127.2295 53.9468 41.0106 176.3736 100 A 4.4071 9.3063 129.9532 53.9935 18.6138 178.3038 101 A 5.0916 8.3021 118.2187 51.7839 20.0773 177.0566 102 D 4.6727 7.9414 116.1805 53.3433 41.3316 174.3624 103 P 2.0000 0.0000 0.0000 64.6834 31.9715 178.8963 104 E 4.0016 7.8400 116.0601 58.3256 29.5936 177.5137 105 R 4.6244 7.6546 116.6043 55.6315 31.3382 177.5960 106 F 4.6851 8.0550 119.5684 60.8835 38.7252 177.2034 107 D 4.6329 8.2160 118.1160 56.9613 40.4720 178.2127 108 E 4.0059 8.1481 119.5826 59.0683 29.7580 178.5619 109 A 4.2544 8.4087 120.9991 55.0875 18.5252 179.2778 110 R 3.7781 8.4926 117.8089 59.8484 30.0740 178.3449 111 V 3.5773 7.6241 117.1846 66.5515 31.5337 177.7019 112 E 4.1096 8.1356 117.7230 59.3835 29.3270 179.4487 113 L 3.2384 8.3748 120.5893 58.0618 42.0473 178.7769 114 D 4.4725 8.4583 119.0573 57.1793 40.4782 178.5440 115 A 4.0381 7.9486 120.5556 55.2535 18.8331 179.3166 116 L 4.1927 7.8073 116.8754 58.1639 41.5253 179.8474 117 F 4.2419 7.7388 116.4529 60.0527 38.8422 176.4451 118 N 4.9504 8.0235 113.6470 52.1632 38.8110 175.0412 119 I 4.0531 7.3775 123.1909 60.2593 36.7837 176.3906 120 A 3.9485 8.8517 129.9002 55.2727 18.2290 178.6350 121 E 4.1855 8.1898 114.4336 57.9614 30.3419 176.9427 122 L 4.7371 7.9688 118.5581 54.4729 42.3593 178.0394 123 K 3.8056 7.6938 122.0258 59.3376 31.9728 177.2839 124 D 4.8365 7.9480 114.4110 53.8248 41.2994 175.7041 125 V 4.0328 7.5064 120.5695 61.7679 32.3024 174.2113 126 P 4.7146 0.0000 0.0000 62.9325 32.1970 175.4594 127 F 5.2765 9.5023 123.3169 56.1598 42.0586 175.3946 128 V 4.6737 8.5108 120.7742 61.6351 34.5235 174.0097 129 I 4.8762 8.4661 129.5278 60.1111 39.3489 175.0654 130 L 4.9864 9.1338 126.8346 52.9719 44.6448 176.3586 131 G 4.1720 8.7235 113.2400 45.3918 0.0000 172.1512 132 N 5.0360 9.1456 127.2218 52.1985 41.4827 174.4202 133 K 4.3304 8.8860 115.8945 56.9085 29.2399 177.7444 134 I 4.0519 7.6287 112.0234 62.4480 38.1271 176.5498 135 D 4.4427 8.0612 120.9886 55.5050 40.1325 176.4697 136 A 4.2885 7.7944 123.8853 51.1217 18.9794 176.4075 137 P 4.2405 0.0000 0.0000 65.9513 31.2537 177.0033 138 N 4.6885 8.0385 112.9699 52.7832 38.6186 174.7532 139 A 4.3414 7.6766 121.1483 52.4550 18.8692 178.3022 140 V 4.2202 8.5224 122.0161 62.1500 33.1498 175.8829 141 S 4.5671 8.5894 119.9738 57.4466 64.5535 174.8571 142 E 3.9452 8.8538 119.7236 58.7403 29.1800 178.5166 143 A 4.0247 7.8433 120.7639 54.8705 18.7271 179.2672 144 E 3.9058 8.0441 116.6084 59.4699 29.5437 179.2688 145 L 3.4993 7.7758 120.1896 58.1849 42.2045 179.1478 146 R 3.8159 7.9611 117.9043 59.2079 29.8856 179.4024 147 S 4.0358 8.1965 114.8000 61.5728 62.7711 176.5327 148 A 4.0801 7.9804 122.1138 54.5353 18.1647 178.6633 149 L 4.3574 8.0162 115.3382 53.6714 42.3639 176.6785 150 G 3.9839 7.9618 106.9973 47.1136 0.0000 173.9542 151 L 4.7628 8.1755 116.4285 53.9149 42.7616 179.4164 152 L 3.8723 8.1325 120.4140 56.7330 41.7621 176.9616 153 N 4.7400 7.4144 115.9292 51.5554 38.9981 173.5670 154 T 4.5421 7.8025 112.1749 58.9994 71.7650 173.5995 155 T 3.7542 7.6319 117.7119 61.0142 67.3060 173.2803 156 G 3.7768 6.9618 115.2564 46.7966 0.0000 174.7918 *160 I 4.0177 7.1400 121.6833 60.8281 37.1633 174.8156 161 E 4.1300 7.7154 121.9181 57.0558 30.0047 177.1478 162 G 4.2059 7.9955 110.3740 45.8437 0.0000 171.9758 163 Q 4.5890 8.0098 117.2544 53.1789 31.6578 175.2315 164 R 4.1255 8.1650 119.6974 55.1238 30.8308 174.2234 165 P 4.4062 0.0000 0.0000 62.9158 32.5531 175.7899 166 V 4.9374 8.3275 123.9956 62.3235 34.3704 172.2941 167 E 4.2837 8.1460 128.1452 54.1480 33.3877 173.7199 168 V 4.6012 7.7253 124.3892 61.2012 33.6187 174.7943 169 F 4.8484 9.0688 126.0039 55.9472 42.5796 174.2669 170 M 4.9143 8.6909 122.6433 55.2959 34.0372 174.8136 171 C 4.8783 8.7705 115.4300 58.2843 34.1559 172.7904 172 S 4.6859 9.2686 114.4814 57.4267 64.1536 174.9227 173 V 3.7569 8.9015 128.7953 65.8702 31.7786 178.5696 174 V 3.5805 7.9463 118.6627 66.2050 31.4424 176.3161 175 M 4.3378 8.2320 116.2328 54.4882 32.2686 176.6003 176 R 4.1254 7.5938 116.2378 55.5703 28.3052 175.3708 177 N 4.6491 8.7303 115.5686 53.1496 42.5203 175.2613 178 G 4.3237 9.0392 111.1186 46.8638 0.0000 175.0883 179 Y 4.1290 7.0111 117.9372 59.5889 38.4691 177.6040 180 L 4.2672 7.3041 120.3791 57.7721 41.8598 179.0626 181 E 3.9921 8.1345 117.8451 59.2447 29.0987 179.0520 182 A 2.0000 7.0829 120.5275 54.5374 18.3839 179.5848 183 F 4.1341 8.0825 115.2986 59.7622 39.1505 177.9778 184 Q 4.0318 8.0259 120.0135 59.0772 28.7548 177.8758 185 W 4.1674 8.0672 127.8662 60.3237 30.9922 177.1586 186 L 3.9779 7.8611 120.0355 57.6517 41.4369 178.6366 187 S 4.3970 8.1594 114.3649 61.4116 62.7545 175.9455 188 Q 3.9206 7.1780 118.0427 58.6988 28.6668 177.0944 189 Y 4.6013 7.4490 114.8918 57.4352 38.1241 175.8063 190 I 4.0206 7.7468 125.0228 61.8684 37.1577 176.5668 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 24 G 8.21 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 0.00 0.00 0.00 25 K 9.17 5.31 0.00 1.99 1.91 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.20 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.93 7.81 26 L 9.90 5.33 0.00 1.49 1.51 0.23 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.42 5.13 0.00 1.48 1.49 1.12 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 28 F 9.06 5.36 0.00 2.95 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 29 L 9.60 4.44 0.00 1.07 0.27 0.77 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.72 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 0.00 0.00 0.00 31 L 7.85 4.19 0.00 1.78 1.70 1.09 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.34 4.41 0.00 2.83 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 33 N 8.97 4.45 0.00 2.89 3.05 0.00 0.00 7.01 7.96 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 34 A 7.56 4.04 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 35 G 8.50 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.46 3.83 0.00 1.83 2.05 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.42 7.81 37 T 7.78 4.16 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 38 T 7.86 3.85 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 39 L 7.87 3.73 0.00 1.61 1.75 0.38 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.28 4.09 0.00 2.09 1.95 0.57 1.21 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 41 H 8.40 4.08 0.00 3.36 3.40 0.00 5.66 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 42 M 8.10 4.18 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 43 L 7.97 4.25 0.00 1.60 1.61 0.75 0.83 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 44 K 7.29 4.38 0.00 1.79 1.80 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.35 7.81 45 N 8.41 4.83 0.00 2.68 2.77 0.00 0.00 6.81 7.89 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 46 D 8.08 5.04 0.00 2.76 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.44 4.71 0.00 1.99 1.79 0.00 3.24 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 48 L 8.34 4.37 0.00 1.59 1.55 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.98 4.48 0.96 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 50 T 8.22 4.26 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 51 L 7.92 4.51 0.00 1.66 1.60 0.92 1.03 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 52 Q 8.12 4.37 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 53 P 0.00 4.18 0.00 1.99 2.04 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 54 T 8.55 4.01 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 1.31 0.00 0.00 55 W 8.55 4.75 0.00 3.14 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 56 H 7.63 5.04 0.00 3.06 3.08 0.00 5.78 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.79 0.00 1.84 1.54 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 58 T 8.88 4.92 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 1.28 0.00 0.00 59 S 8.33 4.86 0.00 2.85 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 60 E 8.23 4.59 0.00 1.72 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.29 0.00 61 E 8.66 4.65 0.00 1.91 1.80 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 2.22 2.30 0.00 62 L 9.48 4.79 0.00 1.71 1.53 0.82 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.53 4.93 1.16 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 0.00 0.00 64 I 8.37 4.34 1.97 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.91 0.90 0.00 0.00 65 G 8.91 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 0.00 0.00 0.00 66 N 8.56 4.75 0.00 2.67 2.79 0.00 0.00 6.60 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 6.97 4.14 1.15 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 1.13 1.32 0.09 0.00 0.00 68 K 8.20 4.57 0.00 1.52 1.68 0.00 1.66 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.35 7.81 69 F 9.63 5.22 0.00 2.96 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 70 T 8.97 4.49 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 1.12 0.00 0.00 71 T 8.46 4.98 3.60 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 1.12 0.00 0.00 72 F 9.22 5.02 0.00 2.85 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 73 D 9.07 5.13 0.00 2.62 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.88 4.78 0.00 1.42 1.52 0.62 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.90 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 0.00 0.00 0.00 76 G 8.95 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.26 4.37 0.00 3.34 3.44 0.00 5.51 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.65 3.45 1.84 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 1.34 1.22 0.89 0.00 0.00 79 Q 8.07 3.87 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 80 A 7.93 4.48 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 81 R 7.32 3.01 0.00 1.43 0.82 0.00 2.81 0.00 0.00 2.77 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.37 0.00 82 R 7.56 4.03 0.00 1.91 1.98 0.00 3.02 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 83 L 7.88 4.23 0.00 2.04 1.96 1.02 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 84 W 7.88 4.52 0.00 3.41 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 85 K 7.78 2.00 0.00 1.80 1.85 0.00 1.48 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.40 7.81 86 D 8.29 4.30 0.00 2.79 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.40 4.19 0.00 2.94 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 88 F 7.77 4.74 0.00 3.16 3.04 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 89 P 0.00 4.37 0.00 2.01 2.01 0.00 3.81 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.32 0.00 90 E 8.82 3.86 0.00 2.12 2.05 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 2.26 2.30 0.00 91 V 7.34 3.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.11 0.00 0.00 92 N 8.65 4.73 0.00 2.93 2.98 0.00 0.00 6.86 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 7.38 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 94 I 7.92 4.80 0.72 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.48 0.48 0.00 0.00 95 V 8.52 4.30 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.75 0.00 0.00 96 F 9.10 4.83 0.00 3.05 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 97 L 8.24 4.96 0.00 1.38 1.41 0.51 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.39 4.41 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 1.18 0.00 0.00 99 D 9.06 4.90 0.00 2.82 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 0.00 100 A 9.31 4.41 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 0.00 101 A 8.30 5.09 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 0.00 102 D 7.94 4.67 0.00 2.78 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 2.00 0.00 1.94 1.76 0.00 3.42 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.90 0.00 104 E 7.84 4.00 0.00 1.84 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 105 R 7.65 4.62 0.00 1.97 1.94 0.00 3.40 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.83 0.00 106 F 8.06 4.69 0.00 3.17 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 0.00 107 D 8.22 4.63 0.00 2.74 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 0.00 108 E 8.15 4.01 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 109 A 8.41 4.25 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.49 3.78 0.00 1.97 2.15 0.00 3.41 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 111 V 7.62 3.58 2.30 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 1.01 0.00 0.00 1.04 0.00 0.00 112 E 8.14 4.11 0.00 2.55 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 2.67 2.66 0.00 113 L 8.37 3.24 0.00 0.94 1.47 -0.21 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.46 4.47 0.00 2.83 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.95 4.04 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.81 4.19 0.00 1.89 2.02 1.20 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 117 F 7.74 4.24 0.00 3.10 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 0.00 118 N 8.02 4.95 0.00 2.93 2.88 0.00 0.00 7.05 7.61 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 0.00 119 I 7.38 4.05 1.90 0.00 0.00 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 1.59 1.16 0.98 0.00 0.00 120 A 8.85 3.95 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 0.00 121 E 8.19 4.19 0.00 2.03 2.08 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 2.39 2.40 0.00 122 L 7.97 4.74 0.00 1.64 1.70 -0.11 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 123 K 7.69 3.81 0.00 1.95 1.87 0.00 1.76 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 1.45 1.42 7.81 124 D 7.95 4.84 0.00 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0.00 0.00 0.88 0.00 0.00 1.21 0.00 0.00 141 S 8.59 4.57 0.00 3.90 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 0.00 142 E 8.85 3.95 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 143 A 7.84 4.02 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 0.00 144 E 8.04 3.91 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 145 L 7.78 3.50 0.00 1.58 1.51 0.09 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 146 R 7.96 3.82 0.00 2.03 1.90 0.00 3.08 0.00 0.00 3.07 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 147 S 8.20 4.04 0.00 4.08 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 0.00 148 A 7.98 4.08 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 0.00 149 L 8.02 4.36 0.00 1.53 1.67 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.96 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 0.00 151 L 8.18 4.76 0.00 1.55 1.54 0.97 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.13 3.87 0.00 1.58 1.69 0.89 0.98 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 0.00 153 N 7.41 4.74 0.00 2.60 2.69 0.00 0.00 6.77 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 7.80 4.54 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 155 T 7.63 3.75 4.32 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 1.48 0.00 0.00 156 G 6.96 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 *160 I 7.14 4.02 1.98 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 1.58 0.69 1.10 0.00 0.00 161 E 7.72 4.13 0.00 1.97 1.83 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 2.32 2.32 0.00 162 G 8.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 Q 8.01 4.59 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.89 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 164 R 8.17 4.13 0.00 1.83 1.71 0.00 2.99 0.00 0.00 3.01 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 165 P 0.00 4.41 0.00 1.57 0.67 0.00 3.58 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 166 V 8.33 4.94 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 1.19 0.00 0.00 0.88 0.00 0.00 167 E 8.15 4.28 0.00 1.16 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 1.47 1.47 0.00 168 V 7.73 4.60 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.81 0.00 0.00 169 F 9.07 4.85 0.00 2.92 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 0.00 170 M 8.69 4.91 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.45 0.00 171 C 8.77 4.88 0.00 3.44 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 0.00 172 S 9.27 4.69 0.00 3.90 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 V 8.90 3.76 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 0.80 0.00 0.00 0.84 0.00 0.00 174 V 7.95 3.58 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 0.88 0.00 0.00 0.95 0.00 0.00 175 M 8.23 4.34 0.00 2.08 2.11 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 2.63 2.68 0.00 176 R 7.59 4.13 0.00 1.92 2.02 0.00 3.16 0.00 0.00 3.06 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 177 N 8.73 4.65 0.00 2.80 2.58 0.00 0.00 7.25 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 0.00 178 G 9.04 4.32 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 0.00 179 Y 7.01 4.13 0.00 3.38 3.28 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 0.00 180 L 7.30 4.27 0.00 1.60 1.79 0.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 181 E 8.13 3.99 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 182 A 7.08 2.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 F 8.08 4.13 0.00 3.42 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 0.00 184 Q 8.03 4.03 0.00 2.38 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 185 W 8.07 4.17 0.00 3.72 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 0.00 186 L 7.86 3.98 0.00 1.97 1.75 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 187 S 8.16 4.40 0.00 4.13 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 0.00 188 Q 7.18 3.92 0.00 1.18 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.48 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 189 Y 7.45 4.60 0.00 2.78 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 0.00 190 I 7.75 4.02 1.91 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 1.43 0.69 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.