NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4320 8.3049 120.3446 55.4000 33.4106 174.3611 2 Q 4.4908 8.5493 121.7350 51.9243 32.1796 173.5926 3 D 4.8865 8.3523 121.0762 50.5482 44.7510 175.9609 4 A 3.7858 8.6682 122.1113 55.7726 18.2307 179.8109 5 I 3.5702 6.9848 117.3086 64.6041 37.5528 178.4247 6 T 3.7440 7.7204 115.2990 66.5692 68.1072 176.5930 7 A 3.8988 8.0702 123.0293 54.9958 18.1915 179.7259 8 V 3.4620 7.7502 117.0323 66.1689 31.5300 178.0907 9 I 3.6585 7.5925 117.7572 64.1441 37.8440 177.1992 10 N 4.2403 8.0226 116.8306 56.5248 38.1761 177.2631 11 A 4.0486 7.6120 120.6679 54.8853 18.5858 179.3333 12 S 4.3109 7.7071 113.4436 61.0115 62.7091 176.0755 13 D 4.3106 8.3350 121.1404 56.7706 40.7144 178.3443 14 V 3.6672 7.5046 118.3214 65.1200 31.6737 176.5114 15 Q 4.2624 7.5007 113.8632 55.6173 29.2534 176.7735 16 G 3.9696 7.7143 106.3153 44.9965 0.0000 174.1811 17 K 4.2834 7.5242 118.3033 56.2105 32.7586 176.3517 18 Y 4.1298 8.4732 119.2227 56.8673 38.7001 175.3172 19 L 3.8159 8.6241 120.5824 55.4322 41.9993 177.4340 20 D 4.6504 8.5355 123.3182 53.8033 42.2796 176.6030 21 T 3.8990 10.4835 113.8443 65.1446 67.1268 176.0804 22 A 4.3716 8.3899 123.3776 54.1600 18.4597 179.3190 23 A 3.9426 7.9259 119.0598 55.7180 18.4321 179.5430 24 M 4.1047 8.0125 116.7508 58.4523 31.7787 178.9943 25 E 4.0554 7.6728 118.8462 59.1976 29.7077 178.9602 26 K 3.9790 7.8329 118.0892 59.8275 32.1633 179.2697 27 L 3.8535 7.7951 118.5509 57.4700 41.4426 179.8883 28 K 4.2088 7.8948 118.3322 59.4765 31.9105 178.7956 29 A 4.0069 8.6632 120.7946 55.6928 18.5293 178.5255 30 Y 4.1555 8.2659 117.6481 61.1783 38.7085 178.3117 31 F 4.2785 8.1339 118.1138 60.9361 38.8469 177.7427 32 A 4.0314 8.6301 119.4932 54.9080 17.0006 178.7626 33 T 4.2260 7.9272 110.2198 63.1263 67.5913 176.3409 34 G 3.5420 7.3712 106.9272 49.0568 0.0000 174.9164 35 E 3.8495 8.2167 119.8519 59.0722 29.6107 179.4312 36 L 3.4458 7.6258 117.6008 59.2237 40.1832 179.9513 37 R 3.8578 7.8668 118.7264 59.2268 30.1482 178.9229 38 V 3.5927 7.6932 117.4841 65.8938 31.3662 177.6992 39 R 3.8291 8.8037 119.2002 59.4994 29.9680 178.2708 40 A 3.9951 8.2533 120.4135 55.0781 18.1492 179.2272 41 A 3.9259 8.2747 118.4356 55.6087 18.8674 179.5946 42 S 4.2168 8.0783 113.4578 61.7206 62.8940 177.1218 43 V 3.6154 7.5254 120.9589 65.9840 31.2004 177.7019 44 I 3.9869 7.5348 109.1707 62.3848 37.4409 176.7336 45 S 4.4148 7.6537 114.3173 60.3299 62.7748 175.3007 46 A 4.1882 7.8224 122.9978 54.1774 18.4404 178.2832 47 N 4.7235 7.9086 111.9827 53.0075 38.9798 176.3115 48 A 4.0002 8.0933 123.0473 55.5143 18.5298 179.3864 49 A 4.1362 7.8658 118.2755 55.2968 18.9787 179.4606 50 N 4.3842 8.0995 114.4816 56.2970 38.4754 176.8675 51 I 4.0485 7.9168 118.7433 62.4344 37.2905 176.9399 52 V 4.1768 7.3423 119.1797 64.4647 32.9071 176.5007 53 K 3.7777 7.9108 118.9397 60.0249 31.8430 178.0079 54 E 3.9540 8.2822 117.4053 59.5435 29.6637 179.3281 55 A 3.9531 8.0229 119.9067 55.2451 18.4411 179.4729 56 V 3.4512 7.9337 116.3698 66.3265 31.3725 178.0408 57 A 4.1491 7.8273 118.8169 55.1309 18.2573 179.1849 58 K 4.1468 8.1440 117.4811 58.4939 32.4318 177.7857 59 S 4.5887 8.2034 111.6973 58.3135 65.0497 175.6363 60 L 4.2548 8.2743 119.5860 55.6844 42.5813 177.0409 61 L 4.1475 7.7336 116.9203 54.7311 42.3791 175.3859 62 Y 3.8189 7.9516 114.7494 59.2084 35.3803 170.5838 63 S 4.8313 7.5209 111.8092 56.3962 66.8708 174.2165 64 D 4.4864 8.7058 119.0425 57.1689 40.5187 177.4354 65 I 4.4664 7.5152 111.2307 61.2428 38.0879 176.4435 66 T 4.5374 7.8831 114.9708 64.3240 70.8050 174.1891 67 R 3.9372 7.6146 118.2375 54.9819 30.6566 173.8401 68 P 2.9700 0.0000 0.0000 64.6880 31.1188 176.7679 69 G 4.0038 9.0627 111.1676 45.2864 0.0000 173.9846 70 G 3.6673 7.4384 107.6584 47.4828 0.0000 174.9877 *75 M 4.3247 7.6367 120.1354 54.0067 34.1281 175.3381 76 Y 4.4132 7.9612 118.2097 58.2031 39.2794 174.4750 77 T 3.0927 8.2784 122.2283 62.5172 68.6094 172.9537 78 T 3.8304 8.3705 123.6648 65.7576 69.0191 175.6416 79 R 4.2330 7.6817 120.3081 58.3562 30.6022 178.2002 80 R 3.8563 7.6552 117.4082 59.3556 30.3668 177.7299 81 Y 3.8787 8.1633 119.2251 61.1002 38.7780 178.4406 82 A 4.1179 7.6739 119.0435 55.0931 18.2886 179.3723 83 A 4.0323 8.0316 119.3567 55.0201 18.4742 179.2573 84 C 4.0552 7.8861 117.3798 62.0285 31.6237 175.8212 85 I 3.6396 7.5007 114.5489 63.8881 37.2264 177.7591 86 R 3.6996 7.8247 120.5563 59.2936 29.6604 178.2466 87 D 4.4296 7.7093 118.3838 57.3722 41.0416 178.5002 88 L 4.0288 7.7383 119.4152 58.1670 41.7680 179.2853 89 D 4.3977 8.6114 118.8424 57.6227 40.5886 178.5975 90 Y 4.2966 7.4416 117.1136 61.5953 37.9923 178.0179 91 Y 4.6251 8.1283 117.7363 61.4578 37.9824 178.8006 92 L 4.1995 8.1522 120.5242 57.7628 42.2661 178.7834 93 R 3.6380 8.0409 118.4734 58.9752 29.9257 177.8745 94 Y 3.7941 8.3629 116.5190 59.9749 38.2372 177.4251 95 A 3.8948 7.9856 121.8075 55.6446 18.4400 179.4572 96 T 3.6742 7.6152 111.2453 65.5515 67.2381 175.7030 97 Y 4.1793 7.2591 116.8665 61.0812 37.9766 177.8478 98 A 3.8284 8.0119 121.5708 55.5915 18.0599 179.4235 99 M 3.5355 7.2984 115.0862 58.6537 32.4357 178.1140 100 L 4.1160 7.4550 117.5236 57.8212 42.0479 179.1573 101 A 4.1499 8.6953 120.6447 52.2703 18.9241 177.2381 102 G 4.3344 7.6351 105.3128 45.3186 0.0000 173.1565 103 D 4.4984 7.1619 113.7222 52.1246 44.1670 174.2658 104 P 4.5932 0.0000 0.0000 63.1844 31.5708 177.8456 105 S 4.0758 10.1911 115.1604 61.9470 62.1678 176.3223 106 I 3.7980 7.7599 115.0066 63.9407 37.4551 177.6165 107 L 4.1363 8.1393 120.5606 58.0517 41.3636 179.3492 108 D 4.4454 7.9579 116.1222 56.8259 40.7627 177.9432 109 E 4.2083 7.8103 119.5032 57.6918 30.0486 178.5046 110 R 4.6176 8.6441 118.1617 55.4422 30.8517 177.3750 111 V 4.1733 6.8227 114.1988 63.9069 37.6062 175.4541 112 L 4.1268 8.5155 118.4703 54.9091 42.0507 176.6108 113 N 4.4802 7.4200 116.6120 53.4689 36.4249 175.4104 114 G 3.8607 8.6922 112.1117 45.8644 0.0000 173.3368 115 L 3.6109 7.3606 121.6003 57.9424 41.8680 178.6237 116 K 3.8147 7.9593 118.8731 60.0394 31.9140 177.7014 117 E 3.9612 8.0023 118.4757 59.6026 29.2995 179.0845 118 T 3.9111 7.8645 108.7214 65.6495 68.5687 175.2494 119 Y 4.4579 7.9782 119.4226 61.0972 37.7373 178.3669 120 N 4.4118 8.5582 117.0441 56.6135 38.7482 177.2344 121 S 4.2458 8.2867 114.1314 61.3022 62.6445 175.7064 122 L 4.3310 8.5295 120.5741 55.4152 41.7800 177.8249 123 G 4.0282 8.5279 105.5435 44.6506 0.0000 174.0580 124 V 3.2831 7.5573 119.7359 62.4526 31.8021 174.1806 125 P 4.3822 0.0000 0.0000 62.3985 31.6157 176.6644 126 I 3.6031 8.4535 117.4899 64.4487 37.1980 177.2566 127 A 3.9566 8.1345 122.2879 54.6283 18.0642 179.3838 128 A 3.9740 7.8939 118.6021 55.4169 18.7235 179.8357 129 T 3.8736 7.9084 108.3524 64.8113 68.7535 177.0514 130 V 3.5922 7.9118 121.2964 65.9509 31.6741 178.0834 131 Q 4.0741 7.9487 117.2478 58.6368 28.2374 178.6502 132 A 4.1363 8.1290 122.9486 54.6526 18.7300 179.4546 133 I 3.8098 7.7650 111.6558 64.0300 37.3509 178.0932 134 Q 3.7732 8.5249 121.5440 58.9244 28.8187 178.2258 135 A 4.3520 7.7016 122.6600 54.4341 18.3906 179.4585 136 M 3.9797 7.8814 117.6731 57.8141 31.8276 178.7389 137 K 3.5715 6.9827 118.7674 59.6462 32.0066 178.2756 138 E 3.9850 8.0236 118.2206 59.5509 29.2192 179.1387 139 V 3.5818 7.6029 117.8814 66.5451 31.8155 177.9734 140 T 4.0871 8.4253 112.7723 65.0156 67.4653 176.2621 141 A 4.1754 8.7458 123.1600 54.7483 18.0668 179.4233 142 S 4.2600 7.7624 112.2255 60.4149 63.4118 175.0957 143 L 4.5046 7.8503 120.8345 55.3773 42.7897 177.8371 144 V 3.8574 7.6321 110.3735 61.4819 32.3715 175.0391 145 G 3.8424 7.4270 104.3290 43.9833 0.0000 174.8536 146 A 4.0269 8.7141 120.1644 54.9667 18.1904 179.3853 147 D 4.3064 8.1024 115.6521 57.8385 41.1942 178.7189 148 A 4.3197 8.0526 120.2816 54.5889 18.4900 179.7127 149 G 3.4372 7.9761 104.4442 47.9694 0.0000 176.1863 150 K 3.5392 8.2891 120.7729 58.9771 31.5290 178.9461 *161 E 4.4248 8.0212 117.7616 56.6678 31.6191 177.9018 162 M 4.1058 9.1542 119.7814 58.0920 31.8739 178.5903 163 G 3.9157 9.0460 107.2749 47.9536 0.0000 175.2271 164 I 3.6584 7.6766 115.5714 64.1042 37.1975 177.7832 165 Y 4.1417 7.4212 117.9884 60.1559 37.2116 178.3652 166 F 4.3708 8.4355 119.3065 60.8216 39.1463 177.3292 167 D 4.5289 9.0777 118.1923 56.6390 40.3980 178.2343 168 Y 4.0260 7.9532 120.8164 60.7743 38.6762 177.5467 169 I 3.6975 7.7006 119.3246 64.3599 37.1201 178.1388 170 C 4.1888 7.6959 117.2682 62.9873 27.9371 176.2052 171 S 4.2251 7.8962 115.2891 60.5681 62.7049 175.3065 172 G 3.9897 7.3691 108.4065 44.3257 0.0000 174.6046 173 L 4.7241 7.2994 115.4375 54.5111 44.7405 177.0205 174 S 4.1550 7.8159 120.8354 59.0328 63.8505 173.9079 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 1 M 8.30 4.43 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 2 Q 8.55 4.49 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.55 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 3 D 8.35 4.89 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 4 A 8.67 3.79 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 6.98 3.57 1.76 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 -0.21 0.81 0.00 0.00 6 T 7.72 3.74 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 1.16 0.00 0.00 7 A 8.07 3.90 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 8 V 7.75 3.46 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 0.96 0.00 0.00 0.88 0.00 0.00 9 I 7.59 3.66 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.42 0.92 0.00 0.00 10 N 8.02 4.24 0.00 3.08 2.83 0.00 0.00 6.95 6.95 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 11 A 7.61 4.05 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 12 S 7.71 4.31 0.00 3.98 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 13 D 8.34 4.31 0.00 2.72 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 14 V 7.50 3.67 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.96 0.00 0.00 15 Q 7.50 4.26 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.29 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 16 G 7.71 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 17 K 7.52 4.28 0.00 1.79 1.82 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.48 7.81 18 Y 8.47 4.13 0.00 2.91 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 19 L 8.62 3.82 0.00 1.71 1.73 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.54 4.65 0.00 2.70 2.67 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 21 T 10.48 3.90 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 1.22 0.00 0.00 22 A 8.39 4.37 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 23 A 7.93 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 M 8.01 4.10 0.00 2.13 2.31 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 2.66 2.89 0.00 25 E 7.67 4.06 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 26 K 7.83 3.98 0.00 1.91 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.67 7.81 27 L 7.80 3.85 0.00 1.93 1.80 0.97 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.89 4.21 0.00 2.02 1.94 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.58 1.80 7.81 29 A 8.66 4.01 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 30 Y 8.27 4.16 0.00 2.89 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 31 F 8.13 4.28 0.00 3.43 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 32 A 8.63 4.03 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 33 T 7.93 4.23 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 1.23 0.00 0.00 34 G 7.37 3.54 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 0.00 35 E 8.22 3.85 0.00 2.00 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 2.40 2.39 0.00 36 L 7.63 3.45 0.00 1.88 1.95 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.87 3.86 0.00 2.05 1.99 0.00 3.09 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 38 V 7.69 3.59 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 39 R 8.80 3.83 0.00 1.84 2.07 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 40 A 8.25 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.27 3.93 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 42 S 8.08 4.22 0.00 4.07 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 43 V 7.53 3.62 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 1.13 0.00 0.00 0.99 0.00 0.00 44 I 7.53 3.99 1.89 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 1.69 0.84 0.98 0.00 0.00 45 S 7.65 4.41 0.00 4.06 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 46 A 7.82 4.19 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 47 N 7.91 4.72 0.00 2.76 2.85 0.00 0.00 7.00 7.37 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 48 A 8.09 4.00 1.35 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 0.00 0.00 49 A 7.87 4.14 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 50 N 8.10 4.38 0.00 2.86 2.90 0.00 0.00 7.13 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 51 I 7.92 4.05 2.06 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 1.44 0.64 0.98 0.00 0.00 52 V 7.34 4.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.00 0.00 0.00 53 K 7.91 3.78 0.00 1.98 1.80 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.54 7.81 54 E 8.28 3.95 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 55 A 8.02 3.95 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 56 V 7.93 3.45 2.25 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 0.74 0.00 0.00 0.85 0.00 0.00 57 A 7.83 4.15 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.14 4.15 0.00 1.77 1.98 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 59 S 8.20 4.59 0.00 4.01 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 60 L 8.27 4.25 0.00 1.51 1.67 0.84 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.73 4.15 0.00 1.68 1.34 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 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 A 8.03 4.03 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 84 C 7.89 4.06 0.00 2.94 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 85 I 7.50 3.64 1.85 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.64 0.89 0.00 0.00 86 R 7.82 3.70 0.00 2.04 2.09 0.00 3.19 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 87 D 7.71 4.43 0.00 2.87 2.42 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 0.00 0.00 0.00 0.00 88 L 7.74 4.03 0.00 1.86 1.78 0.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.61 4.40 0.00 2.61 2.57 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 90 Y 7.44 4.30 0.00 3.03 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.02 1.20 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 108 D 7.96 4.45 0.00 2.75 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 0.00 109 E 7.81 4.21 0.00 2.06 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 0.00 2.32 2.40 0.00 110 R 8.64 4.62 0.00 1.88 1.94 0.00 3.42 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 111 V 6.82 4.17 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 0.88 0.00 0.00 0.43 0.00 0.00 112 L 8.52 4.13 0.00 1.71 1.59 0.71 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 113 N 7.42 4.48 0.00 2.92 2.85 0.00 0.00 6.95 6.88 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 0.00 114 G 8.69 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 0.00 0.00 0.00 115 L 7.36 3.61 0.00 1.77 1.44 0.85 -0.96 0.00 0.00 0.00 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0.00 132 A 8.13 4.14 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 0.00 133 I 7.77 3.81 1.95 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 1.56 0.49 1.09 0.00 0.00 134 Q 8.52 3.77 0.00 2.34 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 135 A 7.70 4.35 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 0.00 136 M 7.88 3.98 0.00 1.96 1.72 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 2.77 2.52 0.00 137 K 6.98 3.57 0.00 1.75 1.69 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.40 7.81 138 E 8.02 3.99 0.00 2.15 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 2.38 2.48 0.00 139 V 7.60 3.58 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.99 0.00 0.00 140 T 8.43 4.09 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 141 A 8.75 4.18 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 142 S 7.76 4.26 0.00 4.01 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 0.00 143 L 7.85 4.50 0.00 1.67 1.77 1.06 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 144 V 7.63 3.86 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 0.73 0.00 0.00 1.03 0.00 0.00 145 G 7.43 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 0.00 146 A 8.71 4.03 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 0.00 147 D 8.10 4.31 0.00 2.65 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 0.00 148 A 8.05 4.32 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 0.00 149 G 7.98 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 K 8.29 3.54 0.00 1.99 1.89 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.73 7.81 *161 E 8.02 4.42 0.00 2.12 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 0.00 2.34 2.34 0.00 162 M 9.15 4.11 0.00 2.03 2.29 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.86 0.00 163 G 9.05 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 0.00 164 I 7.68 3.66 1.58 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 -0.16 0.89 0.00 0.00 165 Y 7.42 4.14 0.00 2.90 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 0.00 166 F 8.44 4.37 0.00 3.38 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 0.00 167 D 9.08 4.53 0.00 2.84 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 0.00 168 Y 7.95 4.03 0.00 3.24 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 0.00 169 I 7.70 3.70 2.03 0.00 0.00 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 1.58 0.94 0.43 0.00 0.00 170 C 7.70 4.19 0.00 3.14 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 0.00 171 S 7.90 4.23 0.00 3.67 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 G 7.37 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 L 7.30 4.72 0.00 1.66 1.64 0.94 0.66 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 0.00 174 S 7.82 4.16 0.00 3.77 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 * Residues marked with a * may have inaccurate shift predictions.