NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4213 8.2931 120.3275 55.5349 33.7254 176.2359 2 G 3.4921 7.9118 105.9292 47.8161 0.0000 172.7329 3 K 4.3954 7.7782 119.7733 54.9001 34.7541 174.7959 4 T 4.4006 9.0181 112.7534 61.3580 68.6733 175.2975 5 R 5.6630 7.7007 134.1864 56.9238 32.4780 175.2283 6 G 3.6982 7.8059 108.7541 45.2061 0.0000 177.6521 7 M 4.2536 9.0117 121.7736 55.8547 33.0866 177.1460 8 G 3.6993 7.9675 104.0856 46.7039 0.0000 172.7159 9 A 3.6507 7.0352 121.5793 50.3152 17.1837 176.4128 10 G 4.1695 7.3779 109.6483 45.6274 0.0000 172.8851 11 R 4.0012 8.3464 119.9956 59.2767 30.3736 177.4543 12 K 4.0808 8.0608 118.4217 59.1609 31.8734 178.2536 13 L 3.9264 8.1558 120.5279 57.4740 42.0989 177.7436 14 K 4.4742 7.8416 115.9473 56.6196 31.8698 177.3306 15 T 4.1066 7.8102 116.7878 66.6596 68.2500 176.2111 16 H 3.9382 8.1781 119.6682 59.3127 30.0111 177.1170 17 R 3.9778 7.4738 120.4019 59.3502 29.6176 179.0544 18 R 3.9734 7.4253 112.3698 59.5570 29.0397 178.5477 19 N 4.4966 8.0864 115.5835 56.0886 38.7121 176.6727 20 Q 4.0625 7.3840 118.9738 59.2921 29.2029 178.2037 21 R 4.1925 8.4873 118.2563 58.0740 30.2274 177.3644 22 W 4.1226 7.5484 126.1108 55.6238 30.2148 173.7781 23 A 4.0166 9.1895 131.0152 53.0206 18.8577 180.3074 24 D 3.6640 8.0945 109.9927 50.6604 43.1892 179.6671 25 K 4.5180 9.2426 111.2038 54.8837 36.7419 176.3229 26 A 3.8375 9.3984 130.1516 54.8145 18.2085 178.7390 *27 Y 3.8402 8.4691 112.9991 58.5310 35.0453 174.2553 *28 K 4.4738 7.7957 124.4703 53.0632 34.2399 178.0137 *29 K 4.5688 8.3110 114.3096 54.5738 35.6648 178.3213 *30 S 5.5791 7.7007 125.4952 58.7860 63.8516 176.0995 *31 H 4.8638 8.5959 129.8270 53.8117 29.3402 172.3740 *32 L 4.2058 9.9949 122.3875 55.5426 41.1863 175.9986 33 G 3.8099 8.0142 116.6395 44.9116 0.0000 170.6240 *34 N 4.4011 8.8927 121.4914 53.3287 41.2069 171.4336 *35 E 3.8523 8.7814 113.9623 56.1732 28.8540 169.7861 36 W 4.2817 8.9461 116.4012 57.9932 29.6535 176.1273 37 K 4.6233 8.7061 125.0460 54.5484 34.9399 174.9983 38 K 5.0447 8.9377 127.0615 54.1541 33.0062 173.0049 39 P 4.5240 0.0000 0.0000 61.1370 32.6118 175.7141 40 F 4.9166 8.3788 117.2878 54.6754 38.8873 174.7106 41 A 4.5470 8.4408 126.8950 49.7049 21.7716 176.1756 42 G 4.0997 8.1185 105.8525 43.7469 0.0000 171.0858 43 S 4.5660 7.7965 114.4723 57.6894 65.7471 173.1563 44 S 4.8042 8.7147 122.2267 56.8841 64.5886 172.1978 45 H 5.0041 8.9712 125.2947 55.1579 34.0902 171.1218 46 A 5.0824 7.8032 120.4016 49.8835 21.5052 175.2548 47 K 4.5700 8.1709 118.8687 54.5699 36.0171 176.1028 48 G 3.9593 8.3431 111.5329 44.4068 0.0000 171.9918 49 I 4.6950 7.7935 118.3541 58.2495 41.1926 175.4588 50 V 3.8717 7.6404 121.6451 60.9941 31.6428 176.1835 51 L 3.9815 8.5645 120.6327 58.7599 40.0033 177.4979 52 E 3.9810 8.1152 120.2316 56.1629 29.9988 177.0233 53 K 3.6751 8.5965 126.9602 57.3985 31.8667 172.5321 54 I 4.1363 8.1174 118.9665 61.3944 39.5900 173.0053 55 G 3.6291 9.2363 104.3545 45.1697 0.0000 173.2303 56 I 4.0910 7.6716 117.8624 60.3593 37.6696 173.4730 57 E 4.4937 8.4594 127.3279 55.5274 31.3537 175.4223 58 A 4.6964 8.4035 123.6728 51.2708 20.3032 176.6941 59 K 4.8445 8.8958 120.2896 54.7014 37.1720 175.0494 60 Q 4.7887 8.5763 121.1239 54.1784 32.0803 172.4392 61 P 4.7226 0.0000 0.0000 62.6754 32.4610 175.5189 62 N 4.9153 8.7299 118.7475 51.6090 43.2853 173.4083 63 S 4.6594 8.2340 116.5417 56.3126 63.7790 173.7955 64 A 4.2354 8.7911 131.2292 51.3041 19.2544 178.0413 65 I 3.9629 8.3237 120.1564 64.1500 38.7692 177.3703 66 R 4.1885 7.8227 119.5141 57.4109 29.5687 177.1201 67 K 3.8218 7.8325 117.8288 56.8375 30.9945 172.8581 68 C 4.6947 7.6944 114.5945 56.6853 33.2528 173.5546 69 A 4.9283 8.3406 123.5331 50.5428 21.1280 175.5718 70 R 4.8022 8.3203 120.9477 54.9935 35.6583 173.9824 71 V 4.5876 8.2091 119.4558 60.5933 32.8826 175.4974 72 Q 5.0037 8.3602 120.7383 53.0368 32.5723 174.6578 73 L 4.5443 8.4606 123.9148 54.3387 44.1891 175.3369 74 V 3.6887 8.1254 122.3808 59.5792 33.7241 175.2913 75 K 4.2720 8.1780 122.6126 55.6172 34.3528 176.0987 76 N 4.6867 8.5743 112.9749 53.4496 37.2756 174.8546 77 G 3.8034 8.5540 107.7355 44.4128 0.0000 173.4166 78 K 3.5191 8.3760 119.2000 56.8447 33.0008 174.0095 79 K 4.3206 7.8238 115.7229 57.1510 34.0205 173.6319 80 I 4.5782 7.8983 118.3238 60.0572 40.9823 173.7502 81 A 4.5609 7.8474 124.0108 51.7953 22.6711 175.8013 82 A 4.6912 8.0842 122.7432 51.7166 18.1584 177.5320 83 F 3.8932 8.8769 120.7233 63.5460 39.6721 175.9365 84 V 3.9189 8.1543 114.9141 62.9543 33.0023 175.2232 85 P 4.5906 0.0000 0.0000 62.4384 31.6399 173.5084 86 N 5.0440 8.6193 116.2073 52.6043 40.2608 173.7042 87 D 5.1831 8.7840 124.1609 52.3644 42.9436 176.0706 88 G 4.1884 8.8452 110.8372 45.3586 0.0000 171.7235 89 C 5.1215 8.7800 124.5650 57.4017 33.5682 174.9315 90 L 3.2688 8.6943 126.3850 55.8417 42.0627 176.5278 91 N 3.9251 7.4005 113.6451 54.1861 37.1260 173.1670 92 F 4.6728 7.4821 112.9301 55.8168 40.1999 175.0788 93 I 4.3250 8.0967 121.2007 59.2738 39.6590 175.5143 94 E 4.1613 8.6328 126.4416 57.3082 29.7505 177.4826 95 E 3.9594 7.6249 117.2329 55.4120 28.8446 172.1877 96 N 4.6067 7.0237 110.2404 52.1784 39.0955 173.1987 97 D 4.5737 7.9829 119.9682 52.6508 44.4421 174.6785 98 E 3.7900 8.7780 126.6288 57.6959 29.9084 177.6615 99 V 3.2555 8.4777 123.1824 63.3532 30.7844 172.1003 100 L 4.5868 7.4601 120.7695 54.2430 40.8563 175.1832 101 I 3.8144 7.8617 123.6004 62.0539 38.3622 174.6807 102 A 4.4622 7.2963 120.3246 50.7001 23.1901 174.7351 103 G 4.3123 8.1476 104.5977 44.6075 0.0000 171.7974 104 F 4.8845 8.7384 117.9768 54.9609 38.8820 176.1592 105 G 3.9091 8.0958 112.1504 44.9813 0.0000 172.7467 106 R 4.1279 8.5410 120.6603 55.6372 30.8378 176.0119 107 K 4.5120 8.8005 121.8057 56.6392 36.8119 176.7818 108 G 3.9549 9.5735 120.7498 46.9986 0.0000 173.4168 109 H 4.2920 5.2900 120.6018 57.8466 29.5990 175.6567 110 A 4.2722 8.1076 124.3526 51.5203 18.3552 177.9980 111 V 4.0249 8.3869 123.4762 61.1314 32.9361 174.7361 112 G 4.2199 8.0309 107.6614 43.0428 0.0000 171.4850 113 D 4.7163 8.6506 120.0478 53.6401 41.6354 176.5248 *114 I 3.5895 8.4982 122.8347 60.2198 35.6615 174.6958 *115 P 4.2313 0.0000 0.0000 61.6268 30.0609 173.2870 116 G 4.3455 8.2987 114.5645 44.6260 0.0000 171.8076 *117 V 4.0573 8.0159 120.7551 63.2916 36.2585 170.5850 *118 R 4.2523 9.4139 124.1034 58.7119 26.8200 177.1613 *119 F 4.7741 8.5786 121.0340 56.7381 37.3486 178.5149 *120 K 3.9632 7.4656 127.5968 56.3219 31.4042 176.4187 *121 V 4.3412 7.7573 116.6566 61.9398 32.6482 181.6980 *122 V 4.0140 7.4736 119.7296 60.9329 33.3542 181.8244 *123 K 3.9359 8.5577 113.2472 58.1082 27.5855 172.5576 *124 V 4.9954 7.8892 125.2252 59.5463 37.4163 174.7386 *125 S 4.8458 8.7464 119.3126 58.4529 67.1179 177.9338 126 G 3.9980 6.1196 112.3787 46.6325 0.0000 173.0887 *127 V 3.7977 8.5592 121.3236 61.8361 33.6800 173.4501 *128 S 3.8150 9.3956 126.6789 58.6743 60.7556 169.8178 *129 L 4.0341 8.9864 125.0885 55.9907 40.9784 180.0865 *130 L 5.1781 8.9118 116.7632 51.6941 45.5251 179.1349 131 A 5.5535 8.1249 133.2464 55.1614 18.0763 179.9379 *132 L 4.0714 7.5129 121.9746 60.1419 41.0995 182.8486 *133 F 4.3359 8.1647 123.2672 62.1814 37.7604 180.4861 *134 K 4.2607 8.0864 125.1172 60.5875 31.7643 181.7798 *135 E 4.4175 7.9729 121.9555 61.1805 29.5521 181.6722 *136 K 4.2319 8.3123 126.7939 60.5258 31.5458 182.5813 *137 K 4.2931 7.8718 125.9601 60.2356 31.7919 181.1214 *138 E 4.3971 8.2183 121.3535 61.5354 28.0799 182.2557 *139 K 4.1452 8.0217 126.5422 60.2949 31.5376 180.2545 *140 P 4.7728 0.0000 0.0000 67.6151 30.7378 181.1595 *141 R 4.4090 7.4346 119.6241 61.5719 29.4874 180.0122 *142 S 4.4624 7.7421 119.1952 57.9651 63.4640 175.3006 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 8.29 4.42 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 2 G 7.91 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 7.78 4.40 0.00 1.76 1.77 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.42 7.81 4 T 9.02 4.40 4.34 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 1.25 0.00 0.00 5 R 7.70 5.66 0.00 1.96 1.99 0.00 3.27 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.35 0.00 6 G 7.81 3.70 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 0.00 0.00 0.00 7 M 9.01 4.25 0.00 2.10 1.22 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 2.35 2.26 0.00 8 G 7.97 3.70 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 0.00 0.00 0.00 9 A 7.04 3.65 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 10 G 7.38 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.35 4.00 0.00 1.79 1.99 0.00 3.43 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 12 K 8.06 4.08 0.00 1.84 1.80 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.45 7.81 13 L 8.16 3.93 0.00 1.77 1.66 0.93 0.55 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 14 K 7.84 4.47 0.00 1.76 1.78 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.45 7.81 15 T 7.81 4.11 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 16 H 8.18 3.94 0.00 3.31 3.44 0.00 5.88 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.47 3.98 0.00 2.12 2.00 0.00 3.22 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 18 R 7.43 3.97 0.00 2.13 2.24 0.00 2.83 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.78 0.00 19 N 8.09 4.50 0.00 2.80 2.81 0.00 0.00 6.83 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 7.38 4.06 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 21 R 8.49 4.19 0.00 1.92 2.03 0.00 3.37 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 22 W 7.55 4.12 0.00 3.52 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 23 A 9.19 4.02 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.09 3.66 0.00 2.76 2.33 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 25 K 9.24 4.52 0.00 1.83 1.83 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.42 7.81 26 A 9.40 3.84 1.04 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 0.00 0.00 *27 Y 8.47 3.84 0.00 2.39 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 0.00 0.00 0.00 *28 K 7.80 4.47 0.00 1.81 1.29 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.05 7.81 *29 K 8.31 4.57 0.00 1.72 1.54 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 0.99 7.81 *30 S 7.70 5.58 0.00 3.64 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *31 H 8.60 4.86 0.00 2.87 2.90 0.00 7.17 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *32 L 9.99 4.21 0.00 1.78 1.82 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.01 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 *34 N 8.89 4.40 0.00 2.70 2.58 0.00 0.00 6.38 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 E 8.78 3.85 0.00 2.14 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 2.13 1.88 0.00 36 W 8.95 4.28 0.00 3.18 3.32 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 37 K 8.71 4.62 0.00 1.87 1.63 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.42 7.81 38 K 8.94 5.04 0.00 1.76 1.85 0.00 1.89 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.53 7.81 39 P 0.00 4.52 0.00 2.02 2.00 0.00 3.98 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 1.90 1.91 0.00 40 F 8.38 4.92 0.00 3.23 3.12 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 41 A 8.44 4.55 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 42 G 8.12 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 43 S 7.80 4.57 0.00 3.79 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 44 S 8.71 4.80 0.00 3.88 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 H 8.97 5.00 0.00 3.26 3.11 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.80 5.08 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 47 K 8.17 4.57 0.00 1.75 1.67 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.41 7.81 48 G 8.34 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.79 4.69 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 1.47 1.00 0.91 0.00 0.00 50 V 7.64 3.87 2.22 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 0.80 0.00 0.00 0.93 0.00 0.00 51 L 8.56 3.98 0.00 1.77 1.86 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.12 3.98 0.00 1.93 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 2.29 2.39 0.00 53 K 8.60 3.68 0.00 1.89 1.80 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.40 7.81 54 I 8.12 4.14 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 1.34 0.76 0.91 0.00 0.00 55 G 9.24 3.63 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 0.00 56 I 7.67 4.09 1.86 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 1.40 0.59 0.91 0.00 0.00 57 E 8.46 4.49 0.00 2.02 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 2.38 2.37 0.00 58 A 8.40 4.70 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 59 K 8.90 4.84 0.00 1.73 1.88 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.38 7.81 60 Q 8.58 4.79 0.00 2.11 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 61 P 0.00 4.72 0.00 1.93 1.92 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 62 N 8.73 4.92 0.00 2.51 2.47 0.00 0.00 6.58 6.93 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 63 S 8.23 4.66 0.00 3.61 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.79 4.24 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 65 I 8.32 3.96 2.04 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.99 0.98 0.00 0.00 66 R 7.82 4.19 0.00 1.84 1.91 0.00 3.49 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 67 K 7.83 3.82 0.00 1.79 1.76 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.40 7.81 68 C 7.69 4.69 0.00 3.12 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 69 A 8.34 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 70 R 8.32 4.80 0.00 1.59 1.75 0.00 3.24 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 71 V 8.21 4.59 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 0.76 0.00 0.00 0.96 0.00 0.00 72 Q 8.36 5.00 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.16 0.00 73 L 8.46 4.54 0.00 1.79 1.56 0.93 0.86 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 74 V 8.13 3.69 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 0.88 0.00 0.00 0.70 0.00 0.00 75 K 8.18 4.27 0.00 1.61 1.68 0.00 1.61 0.00 0.00 1.41 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.29 7.81 76 N 8.57 4.69 0.00 2.87 2.94 0.00 0.00 6.85 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 77 G 8.55 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 0.00 0.00 0.00 78 K 8.38 3.52 0.00 1.97 1.87 0.00 1.57 0.00 0.00 1.78 0.00 0.00 3.28 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.48 7.81 79 K 7.82 4.32 0.00 1.96 1.86 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 1.29 7.81 80 I 7.90 4.58 1.90 0.00 0.00 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 1.38 0.66 0.95 0.00 0.00 81 A 7.85 4.56 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.08 4.69 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 83 F 8.88 3.89 0.00 3.02 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 84 V 8.15 3.92 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 0.86 0.00 0.00 1.19 0.00 0.00 85 P 0.00 4.59 0.00 1.94 2.11 0.00 3.64 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 2.26 1.99 0.00 86 N 8.62 5.04 0.00 2.87 2.91 0.00 0.00 6.69 8.08 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 87 D 8.78 5.18 0.00 2.27 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 88 G 8.85 4.19 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 0.00 0.00 0.00 89 C 8.78 5.12 0.00 3.08 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 90 L 8.69 3.27 0.00 1.69 1.56 0.81 -0.00 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 91 N 7.40 3.93 0.00 2.80 2.74 0.00 0.00 7.22 6.90 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 92 F 7.48 4.67 0.00 3.19 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.10 4.32 1.85 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 1.55 0.88 0.95 0.00 0.00 94 E 8.63 4.16 0.00 2.05 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 2.46 2.28 0.00 95 E 7.62 3.96 0.00 2.10 2.21 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 2.15 2.30 0.00 96 N 7.02 4.61 0.00 2.82 2.95 0.00 0.00 6.70 8.06 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 97 D 7.98 4.57 0.00 2.89 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 98 E 8.78 3.79 0.00 1.99 1.82 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 2.37 2.25 0.00 99 V 8.48 3.26 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 0.76 0.00 0.00 0.92 0.00 0.00 100 L 7.46 4.59 0.00 1.67 1.51 1.02 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 101 I 7.86 3.81 1.80 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 1.26 0.87 0.84 0.00 0.00 102 A 7.30 4.46 1.09 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 0.00 0.00 103 G 8.15 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 F 8.74 4.88 0.00 3.07 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.10 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.54 4.13 0.00 1.82 1.90 0.00 3.36 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 107 K 8.80 4.51 0.00 2.05 1.98 0.00 2.25 0.00 0.00 2.04 0.00 0.00 3.11 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.35 1.35 7.81 108 G 9.57 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 0.00 0.00 0.00 109 H 5.29 4.29 0.00 3.59 3.42 0.00 5.66 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 0.00 110 A 8.11 4.27 1.59 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 0.00 0.00 0.00 111 V 8.39 4.02 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 0.80 0.00 0.00 0.97 0.00 0.00 112 G 8.03 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 0.00 113 D 8.65 4.72 0.00 2.76 2.59 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 0.00 *114 I 8.50 3.59 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 0.80 0.91 0.00 0.00 *115 P 0.00 4.23 0.00 2.08 1.97 0.00 3.67 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 1.96 1.64 0.00 116 G 8.30 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 0.00 0.00 0.00 0.00 *117 V 8.02 4.06 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 0.70 0.00 0.00 0.93 0.00 0.00 *118 R 9.41 4.25 0.00 1.96 1.57 0.00 3.23 0.00 0.00 3.26 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.16 0.00 *119 F 8.58 4.77 0.00 2.29 1.45 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 0.00 *120 K 7.47 3.96 0.00 1.71 1.98 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.19 1.02 7.81 *121 V 7.76 4.34 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 0.90 0.00 0.00 0.93 0.00 0.00 *122 V 7.47 4.01 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 0.88 0.00 0.00 0.93 0.00 0.00 *123 K 8.56 3.94 0.00 1.75 1.99 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 0.99 7.81 *124 V 7.89 5.00 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 0.88 0.00 0.00 0.93 0.00 0.00 *125 S 8.75 4.85 0.00 3.57 3.10 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 0.00 0.00 0.00 126 G 6.12 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *127 V 8.56 3.80 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 0.74 0.00 0.00 0.93 0.00 0.00 *128 S 9.40 3.81 0.00 3.79 3.37 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 *129 L 8.99 4.03 0.00 1.57 1.48 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 *130 L 8.91 5.18 0.00 1.61 1.44 0.92 0.68 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 0.00 131 A 8.12 5.55 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 *132 L 7.51 4.07 0.00 1.67 1.68 0.92 1.09 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 *133 F 8.16 4.34 0.00 2.28 2.33 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 *134 K 8.09 4.26 0.00 1.85 1.76 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.08 7.81 *135 E 7.97 4.42 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 *136 K 8.31 4.23 0.00 1.75 1.85 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.33 7.81 *137 K 7.87 4.29 0.00 1.86 1.76 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.33 7.81 *138 E 8.22 4.40 0.00 1.92 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 2.24 2.20 0.00 *139 K 8.02 4.15 0.00 1.73 1.86 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.34 7.81 *140 P 0.00 4.77 0.00 2.16 2.00 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.66 0.00 *141 R 7.43 4.41 0.00 1.88 1.88 0.00 3.18 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 *142 S 7.74 4.46 0.00 3.54 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 * Residues marked with a * may have inaccurate shift predictions.