NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 3.8534 8.2549 119.6218 54.9115 31.6928 175.0398 7 P 4.3128 0.0000 0.0000 62.5543 32.5642 173.7576 8 L 5.4178 9.7235 124.4741 53.1034 44.8254 177.5346 9 R 3.6192 8.5869 121.5101 59.7648 30.0378 178.7842 10 E 4.2276 8.1814 113.9238 58.2734 29.4336 177.4890 11 Q 4.1818 8.3449 117.4656 56.3018 29.3224 175.1535 12 Y 4.5353 7.8458 115.9869 56.0223 40.2175 175.7834 13 L 4.3225 8.3613 123.0303 56.4562 42.7369 176.5787 14 H 5.0386 7.9371 117.3493 54.2222 33.2305 172.5017 15 F 5.1316 8.5468 121.8090 55.8968 43.1720 174.6831 16 Q 4.4297 8.4372 122.1642 54.4926 31.6728 172.0969 17 P 4.8946 0.0000 0.0000 62.6610 31.5627 176.2827 18 I 4.6128 8.3450 122.6335 59.6109 41.1173 174.7795 19 S 4.6907 8.5670 119.6994 57.4286 64.3284 174.1688 20 T 4.5251 8.3341 113.4897 61.3760 70.0983 173.6673 21 R 4.7946 9.9473 122.2474 53.7508 33.3140 176.8067 22 W 2.7262 8.4108 129.6345 60.6448 30.4091 177.1393 23 H 4.4720 8.0019 113.4192 56.4333 29.7931 175.1438 24 D 4.3950 7.8423 119.5157 58.0988 40.8967 176.8545 25 N 4.6690 7.3978 115.9400 53.0135 39.1593 174.7456 26 D 4.7008 8.6316 123.4417 51.6874 41.8503 176.7478 27 I 3.7179 7.8374 111.2068 63.0845 37.4965 175.7906 28 Y 4.6360 7.7456 118.0190 57.9827 38.0590 176.4200 29 G 3.8744 8.7097 109.0474 45.1608 0.0000 172.7077 30 H 5.1578 7.6875 115.4483 53.0286 33.3737 173.0034 31 V 3.9473 8.8184 120.5542 63.4627 31.8431 175.5234 32 N 4.4825 9.1236 127.5077 53.5238 39.8151 175.4188 33 N 3.9271 8.8622 122.1491 55.9629 37.7736 177.3848 34 V 3.8520 8.4193 118.4793 66.1642 31.6456 178.1753 35 T 3.6135 7.8345 115.2693 66.3950 68.0199 176.0872 36 Y 3.6167 7.5372 117.6786 61.1928 37.7442 178.3382 37 Y 3.3847 7.4617 116.4920 60.2690 37.7759 178.2263 38 A 3.9157 7.5834 121.7581 55.0243 18.3938 179.4736 39 F 4.4927 7.4486 115.9735 60.8637 38.9659 177.6263 40 F 4.5591 8.5097 117.5193 61.0326 38.8250 177.1119 41 D 4.4005 8.4688 118.4341 58.1388 40.6510 179.6814 42 T 3.9735 8.3371 115.6262 66.4434 68.5247 176.7471 43 A 4.3180 8.4111 124.3287 54.7228 18.4338 179.7012 44 V 3.4430 8.0261 116.6215 66.4563 31.6841 178.0075 45 N 4.4554 8.4317 116.0431 56.4823 38.2978 177.6145 46 T 3.9197 8.2509 117.3947 66.7941 68.5851 175.8418 47 Y 4.0640 7.9252 120.8045 60.8469 38.8638 178.1216 48 L 3.9693 8.2981 119.9074 57.9328 41.4969 179.7482 49 I 3.9264 7.6791 118.7198 64.4500 37.1879 178.0151 50 E 4.1398 8.4201 118.6968 58.4028 29.4863 177.9229 51 R 4.3194 8.2716 115.8270 55.9345 32.2429 176.8649 52 G 3.6748 7.7550 104.5019 44.6898 0.0000 174.1519 53 G 3.8558 8.2517 109.3269 46.6631 0.0000 174.3193 54 L 3.9065 7.8010 119.5441 54.4152 41.2044 179.8152 55 D 4.7735 8.7211 125.9378 52.4337 40.8612 176.9387 56 I 3.9559 8.2568 127.1478 62.4414 36.3325 176.3008 57 Q 4.2349 8.3347 116.7394 57.9798 28.1070 181.6791 58 G 4.1960 7.9480 103.5611 44.3224 0.0000 173.1911 59 G 3.7571 8.2045 109.5408 45.3386 0.0000 173.9300 60 E 4.2043 8.7405 122.4856 57.5504 31.0344 176.0429 61 V 5.1143 7.8154 118.8259 60.9771 34.1991 174.6109 62 I 4.8286 9.1952 120.6601 59.1426 41.5041 174.0356 63 G 3.3891 8.4919 110.1371 44.3108 0.0000 172.8337 64 L 4.8652 8.4890 125.0543 52.5964 44.8845 175.9511 65 V 4.4978 8.4503 123.0886 63.2661 31.4624 175.8303 66 V 4.5032 8.6638 121.1085 61.7930 33.5557 175.8493 67 S 4.8213 7.8351 113.3462 57.8959 65.7993 173.8100 68 S 5.4552 8.5044 113.8260 58.4766 65.4422 173.8661 69 S 4.9229 9.3006 114.4858 58.4862 66.5372 172.9761 70 C 4.9853 8.4836 119.0097 58.3698 34.3218 172.4738 71 D 4.6920 8.5126 124.2380 52.4168 44.2844 174.3465 72 Y 4.3974 7.9139 118.7789 56.4146 39.8321 174.8978 73 F 4.9211 9.5633 123.0138 58.5748 41.0822 176.2326 74 A 4.7522 7.8777 118.2690 49.7237 22.0908 173.5434 75 P 4.7275 0.0000 0.0000 62.6969 32.7664 175.7114 76 V 4.8015 8.2068 113.7908 59.6518 35.9195 174.3614 77 A 5.1244 8.8331 122.7595 49.8845 22.3655 175.7931 78 F 4.2752 9.2090 124.9467 58.4377 39.8549 173.0500 79 P 4.2417 0.0000 0.0000 61.4491 31.4164 175.7104 80 Q 4.0561 7.8683 117.8214 56.9307 29.3891 176.0649 81 R 4.5905 8.3284 119.6533 55.2537 31.9459 175.5960 82 I 5.1482 7.9285 116.8503 59.3630 41.4972 173.6682 83 E 4.8406 8.3895 121.0738 55.3068 33.5508 174.0714 *85 G 3.4291 8.6939 104.5828 46.1097 0.0000 171.5755 86 L 5.4648 8.4838 123.9503 53.1281 45.9117 175.3530 87 R 4.9603 9.2871 121.2177 54.8895 33.9413 173.4974 88 V 4.1690 8.4615 119.7991 62.7586 33.0592 173.8666 89 A 4.1363 9.2820 131.1561 53.1247 18.2941 177.4703 90 R 4.2284 8.4208 114.9536 53.8691 32.8395 175.4578 91 L 4.7671 8.5338 127.6014 53.3696 43.6803 175.3359 92 G 4.2063 8.6850 118.4582 44.1168 0.0000 171.6085 93 N 4.4448 8.8296 116.6978 56.2538 39.2905 177.0363 94 S 5.1632 8.0675 109.4119 57.7533 64.9969 173.2415 95 S 5.4435 7.9573 114.4539 57.4477 66.7837 173.0031 96 V 4.7387 8.7912 119.3092 60.2637 35.3237 173.4399 97 Q 4.5974 8.8900 124.5074 54.7011 31.1901 173.8292 98 Y 4.8460 8.5985 125.1544 56.8933 40.1890 174.4654 99 E 5.1584 9.3851 122.6412 54.6020 32.4925 175.0687 100 L 5.2164 9.0712 123.7806 52.7753 45.4230 175.4481 101 A 4.9460 7.9468 122.9864 49.9464 22.4403 174.9530 102 L 4.7397 8.8607 122.5794 53.3983 44.3315 175.2639 103 F 5.1865 9.0069 124.6921 55.4568 42.4384 174.8463 104 L 4.5755 9.0180 122.2467 54.9603 43.0574 175.6286 105 E 3.5821 9.2579 122.7448 55.8198 29.4805 178.1455 106 G 3.8130 7.9012 118.8571 46.8791 0.0000 172.9062 107 Q 4.7009 8.1107 121.0146 54.0004 32.0051 175.3724 108 R 4.1342 8.6740 123.5881 59.3901 31.1568 176.3532 109 E 4.9939 8.1956 116.7684 55.1250 30.6763 176.3713 110 A 3.5758 8.7911 126.9201 52.1141 18.5416 177.7363 111 C 4.5271 9.0556 119.5700 62.5862 29.6203 173.6389 112 A 5.0509 7.8269 118.0240 50.7782 22.4776 175.1748 113 A 4.9882 8.9052 121.8037 50.8048 23.2313 175.9700 114 G 4.6181 9.0148 108.2172 45.6386 0.0000 171.4642 115 R 5.7177 9.0842 117.0735 53.6691 34.8449 174.6700 116 F 5.5567 8.5015 115.6127 55.9529 42.1900 172.6663 117 V 5.3599 8.8805 118.8013 60.6946 34.0598 173.8331 118 H 5.3928 8.8341 124.7379 54.8043 30.9036 173.9936 119 V 4.6990 8.5733 123.3235 61.4926 33.5320 174.6287 120 F 4.8341 9.3615 127.3815 57.1040 40.3108 175.2478 121 V 5.0481 9.2496 118.3959 59.7426 36.6127 175.3881 122 E 4.4592 9.1676 123.7780 57.6854 29.9470 179.1298 123 R 3.6710 9.4197 129.7038 60.2080 29.0447 175.2985 124 R 3.8988 8.4006 116.7577 58.9647 29.7806 179.0368 125 S 4.3783 8.0578 112.6781 58.4832 63.8230 176.4775 126 S 3.8683 8.3174 118.3742 59.3038 60.9270 177.5659 127 R 4.3385 7.5348 121.5010 56.7961 30.1717 179.8058 128 P 4.9708 0.0000 0.0000 62.3756 32.0823 176.0848 129 V 4.6568 8.5359 120.9412 59.5721 34.6900 174.8377 130 A 4.2931 8.7884 123.9747 52.5913 18.9153 177.4059 131 I 3.6175 8.5018 123.5294 60.5790 37.7483 174.6096 132 P 4.1489 0.0000 0.0000 63.0895 32.0311 176.9748 133 Q 3.9458 8.7912 122.5689 59.2750 28.8175 178.2159 134 E 3.8711 8.1388 119.8286 59.3685 29.5967 178.5338 135 L 3.8855 7.7134 119.7501 57.8910 42.1238 178.6608 136 R 3.7886 8.2725 119.1909 59.3857 30.1029 178.1485 137 D 4.3256 8.4317 118.8438 57.4848 40.6464 178.7318 138 A 4.1035 7.4845 119.8402 55.1571 18.6370 179.4225 139 L 4.2229 8.2882 117.4240 57.9422 41.7295 179.4632 140 A 4.0089 8.4103 120.8417 55.1068 18.0595 179.3237 141 A 4.1556 7.8060 117.6780 54.1758 18.6622 178.6416 142 L 4.3076 7.7378 116.7668 53.8843 42.0195 175.9748 143 Q 4.7525 7.5847 118.8175 53.6206 29.8648 176.0782 144 S 4.2401 8.6780 115.4691 58.9194 62.6935 174.2017 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 6 R 8.25 3.85 0.00 1.51 1.63 0.00 3.11 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.95 0.00 7 P 0.00 4.31 0.00 2.34 2.23 0.00 3.11 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 8 L 9.72 5.42 0.00 1.83 1.88 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.59 3.62 0.00 1.67 1.85 0.00 2.83 0.00 0.00 2.68 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.50 0.00 10 E 8.18 4.23 0.00 1.95 2.02 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 2.31 2.39 0.00 11 Q 8.34 4.18 0.00 2.03 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.61 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 12 Y 7.85 4.54 0.00 2.71 2.63 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 13 L 8.36 4.32 0.00 1.54 1.69 0.84 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 14 H 7.94 5.04 0.00 3.02 2.85 0.00 5.52 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.55 5.13 0.00 2.82 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 16 Q 8.44 4.43 0.00 2.20 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.07 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 17 P 0.00 4.89 0.00 1.98 1.96 0.00 3.72 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 2.04 2.13 0.00 18 I 8.35 4.61 1.53 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.92 0.94 0.00 0.00 19 S 8.57 4.69 0.00 4.03 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 20 T 8.33 4.53 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 1.30 0.00 0.00 21 R 9.95 4.79 0.00 2.04 1.83 0.00 3.19 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 22 W 8.41 2.73 0.00 2.93 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.00 4.47 0.00 3.16 3.24 0.00 5.82 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.84 4.40 0.00 2.88 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 25 N 7.40 4.67 0.00 2.33 2.56 0.00 0.00 7.00 7.72 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 26 D 8.63 4.70 0.00 2.58 2.69 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 0.00 0.00 0.00 0.00 27 I 7.84 3.72 1.74 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 0.61 0.12 0.74 0.00 0.00 28 Y 7.75 4.64 0.00 2.97 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 29 G 8.71 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 30 H 7.69 5.16 0.00 3.10 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.82 3.95 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 0.47 0.00 0.00 1.02 0.00 0.00 32 N 9.12 4.48 0.00 2.70 2.58 0.00 0.00 6.52 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 33 N 8.86 3.93 0.00 2.38 2.32 0.00 0.00 5.82 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 34 V 8.42 3.85 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 0.98 0.00 0.00 0.96 0.00 0.00 35 T 7.83 3.61 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 0.68 0.00 0.00 36 Y 7.54 3.62 0.00 2.80 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.46 3.38 0.00 3.00 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 38 A 7.58 3.92 1.15 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 0.00 0.00 0.00 0.00 0.00 39 F 7.45 4.49 0.00 3.32 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 40 F 8.51 4.56 0.00 3.16 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.47 4.40 0.00 2.84 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 42 T 8.34 3.97 4.54 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 1.31 0.00 0.00 43 A 8.41 4.32 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.03 3.44 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.53 0.00 0.00 45 N 8.43 4.46 0.00 2.98 2.94 0.00 0.00 7.14 6.34 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 46 T 8.25 3.92 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 47 Y 7.93 4.06 0.00 3.07 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 48 L 8.30 3.97 0.00 2.16 1.83 1.27 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.68 3.93 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.85 0.93 0.00 0.00 50 E 8.42 4.14 0.00 1.97 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 2.35 2.42 0.00 51 R 8.27 4.32 0.00 0.68 1.56 0.00 3.28 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.40 0.00 52 G 7.75 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 53 G 8.25 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 54 L 7.80 3.91 0.00 1.69 1.50 0.92 0.71 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 55 D 8.72 4.77 0.00 2.74 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.26 3.96 1.87 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 1.27 0.82 0.91 0.00 0.00 57 Q 8.33 4.23 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 58 G 7.95 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 0.00 0.00 0.00 59 G 8.20 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.74 4.20 0.00 2.18 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 2.37 1.87 0.00 61 V 7.82 5.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.98 0.00 0.00 62 I 9.20 4.83 1.87 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 1.18 0.72 0.95 0.00 0.00 63 G 8.49 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 0.00 0.00 0.00 64 L 8.49 4.87 0.00 1.49 1.52 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.45 4.50 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 0.84 0.00 0.00 0.97 0.00 0.00 66 V 8.66 4.50 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.98 0.00 0.00 67 S 7.84 4.82 0.00 3.90 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 68 S 8.50 5.46 0.00 4.31 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 69 S 9.30 4.92 0.00 3.97 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 70 C 8.48 4.99 0.00 2.38 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 0.00 0.00 0.00 71 D 8.51 4.69 0.00 2.11 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 0.00 0.00 0.00 72 Y 7.91 4.40 0.00 2.53 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 9.56 4.92 0.00 2.97 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 74 A 7.88 4.75 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 75 P 0.00 4.73 0.00 1.73 1.96 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.90 0.00 76 V 8.21 4.80 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.99 0.00 0.00 77 A 8.83 5.12 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 78 F 9.21 4.28 0.00 3.14 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 79 P 0.00 4.24 0.00 1.78 0.76 0.00 3.19 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 80 Q 7.87 4.06 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.05 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 81 R 8.33 4.59 0.00 1.74 1.82 0.00 3.04 0.00 0.00 3.69 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 82 I 7.93 5.15 1.79 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.61 0.84 0.00 0.00 83 E 8.39 4.84 0.00 2.11 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 2.30 2.35 0.00 *85 G 8.69 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 0.00 0.00 0.00 86 L 8.48 5.46 0.00 1.62 1.33 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 87 R 9.29 4.96 0.00 1.87 1.85 0.00 2.62 0.00 0.00 2.93 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.51 0.00 88 V 8.46 4.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.89 0.00 0.00 89 A 9.28 4.14 1.11 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 0.00 0.00 0.00 90 R 8.42 4.23 0.00 1.95 1.73 0.00 3.23 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.19 0.00 91 L 8.53 4.77 0.00 1.50 1.47 0.86 0.98 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 92 G 8.68 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 93 N 8.83 4.44 0.00 2.82 2.83 0.00 0.00 6.44 7.63 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 94 S 8.07 5.16 0.00 4.01 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 7.96 5.44 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 96 V 8.79 4.74 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 0.38 0.00 0.00 0.56 0.00 0.00 97 Q 8.89 4.60 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 98 Y 8.60 4.85 0.00 2.31 2.52 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 99 E 9.39 5.16 0.00 1.85 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 2.22 2.23 0.00 100 L 9.07 5.22 0.00 0.47 1.11 0.58 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 101 A 7.95 4.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.86 4.74 0.00 1.87 1.67 0.85 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 103 F 9.01 5.19 0.00 3.11 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 0.00 104 L 9.02 4.58 0.00 1.67 1.62 1.00 0.94 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 0.00 105 E 9.26 3.58 0.00 2.02 1.81 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 2.30 2.31 0.00 106 G 7.90 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Q 8.11 4.70 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 108 R 8.67 4.13 0.00 1.95 2.00 0.00 3.28 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.23 0.00 109 E 8.20 4.99 0.00 1.89 1.86 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 2.30 2.35 0.00 110 A 8.79 3.58 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 9.06 4.53 0.00 3.03 3.41 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 0.00 112 A 7.83 5.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.91 4.99 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 0.00 114 G 9.01 4.62 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 0.00 115 R 9.08 5.72 0.00 1.91 1.84 0.00 3.18 0.00 0.00 3.31 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.47 0.00 116 F 8.50 5.56 0.00 3.48 3.31 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 0.00 117 V 8.88 5.36 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 0.90 0.00 0.00 0.97 0.00 0.00 118 H 8.83 5.39 0.00 3.28 2.65 0.00 5.67 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.57 4.70 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 0.99 0.00 0.00 0.95 0.00 0.00 120 F 9.36 4.83 0.00 3.13 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 0.00 121 V 9.25 5.05 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 0.75 0.00 0.00 0.93 0.00 0.00 122 E 9.17 4.46 0.00 1.65 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 0.00 2.24 2.14 0.00 123 R 9.42 3.67 0.00 1.53 1.91 0.00 3.25 0.00 0.00 3.26 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 124 R 8.40 3.90 0.00 1.82 1.79 0.00 3.22 0.00 0.00 3.28 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 125 S 8.06 4.38 0.00 4.00 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 0.00 126 S 8.32 3.87 0.00 3.83 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 0.00 127 R 7.53 4.34 0.00 1.45 1.84 0.00 3.25 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 128 P 0.00 4.97 0.00 1.95 2.06 0.00 3.62 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 2.05 2.11 0.00 129 V 8.54 4.66 2.13 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 0.77 0.00 0.00 0.96 0.00 0.00 130 A 8.79 4.29 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 0.00 131 I 8.50 3.62 1.74 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.74 0.42 0.00 0.00 132 P 0.00 4.15 0.00 2.07 1.96 0.00 3.36 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 2.07 2.08 0.00 133 Q 8.79 3.95 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 134 E 8.14 3.87 0.00 2.04 1.89 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 2.34 2.35 0.00 135 L 7.71 3.89 0.00 1.58 1.46 0.20 0.79 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 0.00 136 R 8.27 3.79 0.00 1.78 1.99 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 137 D 8.43 4.33 0.00 2.82 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 0.00 138 A 7.48 4.10 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 0.00 139 L 8.29 4.22 0.00 1.86 1.72 0.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.41 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 0.00 141 A 7.81 4.16 1.44 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 0.00 142 L 7.74 4.31 0.00 1.82 1.57 0.08 0.64 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 0.00 143 Q 7.58 4.75 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.21 0.00 144 S 8.68 4.24 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 * Residues marked with a * may have inaccurate shift predictions.