NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4996 8.1927 115.3064 58.6730 64.6609 175.5823 3 H 4.1851 8.3291 119.3989 58.7603 29.6308 175.7934 4 K 3.9885 8.5076 121.8296 59.3123 32.3447 178.4317 5 A 4.2461 7.9647 121.8893 54.5186 18.2924 179.5948 6 W 4.0123 8.5570 117.6350 59.8527 29.1017 178.7493 7 Q 4.1215 8.3634 118.0629 59.1834 27.9746 178.7441 8 N 4.3512 8.1493 115.8584 56.2128 38.6492 176.9803 9 A 4.3968 8.0808 121.2993 55.7428 18.7255 179.1179 10 H 4.6145 8.9127 114.8957 58.8353 28.4636 177.8550 11 A 4.5121 7.8014 118.9240 53.1219 18.2521 177.4860 *13 Y 5.1504 7.7310 123.1647 59.2525 40.6203 176.9759 14 E 4.0748 8.1867 118.0111 58.8765 29.6263 177.4498 15 N 4.9521 7.9874 114.7726 53.1020 39.6203 174.7538 16 D 4.6856 7.6567 119.8109 52.1167 40.7168 176.0827 17 A 3.9388 8.1453 126.3021 54.7217 18.7012 178.7521 18 C 4.0321 8.0576 114.5086 62.8567 28.2286 175.9967 19 A 3.9770 8.4435 122.2570 55.1999 17.9850 179.7745 20 K 3.8441 7.7850 116.5001 59.6757 31.9341 179.4021 21 A 4.0338 8.1127 119.9604 54.8513 18.3406 178.7465 22 L 4.3835 7.7448 114.7423 54.1270 42.1560 176.9748 23 G 3.8677 8.2058 107.4073 46.5760 0.0000 173.6388 24 I 4.4761 8.1404 121.0609 60.3175 38.0993 175.5109 25 D 4.9120 9.0815 126.7447 52.4483 44.2731 175.0722 26 I 4.4829 7.8270 123.0568 60.2471 37.6547 175.4601 27 I 4.5879 8.3999 119.9438 61.1858 39.6415 174.9231 28 S 4.7279 7.5101 116.2124 57.4151 66.5411 171.9102 *30 D 4.6896 8.4340 121.0069 53.2804 41.7960 173.5244 31 E 4.0455 8.7181 122.0248 57.2293 29.7415 176.2337 32 G 4.2078 9.6749 116.4977 46.8986 0.0000 172.1737 33 F 5.4586 8.2605 120.3474 56.7038 42.9278 173.2009 34 A 4.5374 8.1279 126.6333 50.3347 23.2202 174.8496 35 V 4.5470 8.3633 120.7865 60.9537 34.5987 174.6687 36 V 4.8582 8.9958 127.0205 61.4859 35.3397 174.0152 37 T 5.6215 8.4862 120.9924 60.9038 73.3706 172.7052 *39 T 4.4783 8.2697 117.7138 63.4922 69.8829 174.4557 40 V 3.8010 8.8117 127.1051 63.0983 32.6678 175.1556 41 T 4.7672 8.4452 121.5385 59.8312 69.6290 174.7181 42 A 4.1495 8.4493 127.6823 54.7918 18.6181 178.3987 43 Q 4.2488 7.2495 115.0897 56.0197 28.5413 176.2082 *45 L 4.2478 7.7276 116.2729 54.6894 43.2047 177.6084 46 N 4.7117 8.8942 121.2807 52.3416 38.9354 176.3885 47 G 3.8880 8.4743 108.8730 47.1157 0.0000 173.3354 48 H 4.8879 8.9335 116.6038 55.1253 29.7281 174.3159 49 Q 4.1460 7.9347 114.4973 56.7920 26.7884 173.1064 50 S 4.8775 7.4523 112.0978 56.1610 65.2899 173.0012 51 C 4.4978 8.4477 125.8312 59.8450 32.1527 173.1336 52 H 4.3371 8.8588 122.2014 55.4701 29.4440 176.7376 53 G 3.7362 8.9596 108.7159 47.9735 0.0000 176.1546 54 G 3.8552 8.1921 107.4826 47.9559 0.0000 175.6364 55 Q 4.1382 8.1121 119.8118 58.6758 28.8607 178.5496 56 L 4.0840 8.0185 119.7698 57.5727 41.6458 179.2341 57 F 4.0698 8.9624 121.1129 61.5606 39.4982 177.3476 58 S 4.2267 8.3914 114.7281 61.4636 62.6548 176.6103 59 L 3.8687 7.8140 122.7413 58.0539 41.8104 178.9157 60 A 3.6301 7.6879 120.7752 54.9710 18.1209 179.1521 61 D 3.9577 7.8326 116.8497 57.2961 41.1638 178.7507 62 T 3.9131 7.5934 116.1575 66.5331 68.4759 176.5703 63 A 3.9290 7.6799 122.2370 54.9785 18.2813 179.4437 64 F 4.2501 8.2888 119.0943 61.3366 39.0947 177.1294 65 A 3.4383 8.1202 120.6847 55.3810 18.0523 179.2721 66 Y 3.6340 8.0972 114.9036 60.9452 37.3415 178.7456 67 A 4.0432 8.1807 122.1032 55.0271 18.3951 178.7075 68 C 4.1184 7.4063 111.0830 58.3979 30.2162 174.2897 69 N 4.7923 7.4590 118.0371 53.0290 38.9861 176.1852 70 S 4.1115 7.7613 116.0945 60.9536 63.1607 176.2072 71 Q 4.0572 7.9478 118.5491 57.0495 28.7352 176.7448 72 G 3.9102 8.5596 107.0569 44.7752 0.0000 172.6714 73 L 4.6618 7.3791 119.2464 52.2927 43.0686 175.9481 74 A 4.2214 8.4867 125.7768 52.9446 19.0761 176.1102 75 A 5.1571 8.9401 123.2106 50.3559 22.8219 175.3239 76 V 4.4489 8.7743 118.4187 59.6007 35.7647 174.2021 77 A 5.0492 8.5166 123.2493 51.7170 18.6596 177.4125 78 S 4.6868 9.0142 117.2933 59.4673 64.9460 174.1184 79 A 4.7443 7.6575 119.8949 51.5423 22.2312 174.7023 80 C 4.8238 8.0775 111.3881 57.8470 32.1344 173.3459 81 T 4.6152 8.4329 117.0161 61.7459 71.9426 172.8411 82 I 4.9089 8.2153 124.2637 59.2204 41.5831 173.9139 83 D 4.8506 8.8619 128.3950 52.5043 43.6927 174.8850 84 F 4.8076 8.8856 122.9999 56.9748 39.4095 175.1922 85 L 4.6615 9.1232 123.9176 55.8450 43.3686 177.3943 86 R 4.6847 7.7256 114.2948 53.5375 34.1010 173.0330 87 P 4.2590 0.0000 0.0000 62.4654 32.6691 176.4689 88 G 3.8322 7.8216 108.7273 44.5987 0.0000 172.8271 89 F 5.1740 8.2820 125.2816 55.7141 40.9213 175.5703 90 A 4.3324 8.7424 124.0411 54.2488 18.5425 178.3158 91 G 4.0726 9.2917 110.8516 45.3154 0.0000 173.9374 92 D 4.6773 8.1333 120.1516 54.7192 42.4003 175.5143 93 T 4.7841 8.8907 119.1650 62.0214 70.8910 173.3230 94 L 5.0946 8.4732 126.5796 53.3507 44.3960 175.5112 95 T 5.0486 9.1073 120.1151 61.5982 71.8472 172.7342 96 A 5.0912 9.2785 128.3896 50.4175 21.8062 174.9378 97 T 4.7705 8.6622 119.5806 61.7016 71.3385 173.2529 98 A 5.2931 8.7927 128.8731 50.2095 21.7203 175.1429 99 Q 5.3412 9.3841 121.8185 53.8382 32.4627 175.5216 100 V 3.3269 8.3768 123.1294 61.6839 31.7457 176.0746 101 R 4.4750 8.7623 122.2208 57.4613 32.5237 175.9745 102 H 4.7594 7.5834 116.4720 55.0892 33.5656 172.8276 103 Q 4.5625 8.2070 126.3917 55.5529 30.9262 173.7148 104 G 4.1133 9.0847 118.7820 43.9125 0.0000 173.1050 105 K 4.0170 8.6486 117.5248 58.7170 32.5980 177.3188 106 Q 4.4607 7.8873 115.2975 57.4349 31.4139 175.8116 107 T 5.1732 7.8795 114.3764 62.2249 71.7595 173.6624 108 G 4.7028 8.7671 108.8795 45.1378 0.0000 171.8052 109 V 5.1723 8.9884 120.9935 61.1095 34.6098 173.9786 110 Y 5.0498 8.9936 124.5872 56.2893 41.9978 173.9808 111 D 5.1749 9.3167 123.3592 52.7542 43.5979 175.4837 112 I 5.6315 8.9116 123.4342 58.5460 41.2214 174.1458 113 E 5.0279 8.5638 125.4257 54.5555 33.2201 173.7784 114 I 4.9772 8.8266 127.9618 59.7067 39.5223 174.8670 115 V 4.9747 8.9106 127.0162 61.1273 35.3054 174.7972 116 N 5.5256 8.9510 124.0883 50.6420 39.6428 175.6509 117 Q 4.0086 8.7602 115.8364 59.1227 28.6660 176.9467 118 Q 4.2864 8.2234 115.9650 55.4665 28.6944 175.2754 119 Q 3.6081 8.0440 117.3349 56.8473 28.1547 172.8177 120 K 4.5234 8.4715 115.9462 54.1818 33.5980 176.2233 121 T 4.3444 8.4222 120.5958 63.9191 68.9208 174.2599 122 V 4.1059 9.1162 127.1611 64.9654 33.1632 175.3710 123 A 4.9855 7.4977 118.7715 50.9741 22.5857 175.1053 124 L 5.1842 8.5508 119.1197 52.9270 45.4148 175.7487 125 F 5.2414 9.4563 124.6746 56.5833 43.6522 173.4869 126 R 4.8179 7.9005 123.9679 54.8961 33.4748 173.9743 127 G 4.0126 8.6567 112.7310 44.0556 0.0000 170.7952 128 K 5.4050 9.1726 123.4270 54.5169 34.6797 175.4900 129 S 5.4934 9.4600 122.1344 57.2723 66.4059 172.5292 130 H 5.2559 9.1307 120.4551 54.5993 32.7702 172.8247 131 R 4.5883 8.5415 125.4161 56.2584 30.9299 176.2476 132 I 4.1932 8.4064 123.4202 61.7403 39.8697 176.6259 133 G 3.9910 9.5441 116.9064 46.3980 0.0000 174.3266 134 G 4.1044 8.5284 110.1892 45.9983 0.0000 176.2879 135 T 4.7345 8.8034 118.9217 60.9739 69.2731 174.0669 136 I 3.8158 8.1142 118.0014 61.4879 38.0084 176.0906 137 T 4.1502 8.1083 109.5169 61.8128 68.7101 173.8792 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 2 S 8.19 4.50 0.00 4.08 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 3 H 8.33 4.19 0.00 3.44 3.38 0.00 5.92 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.51 3.99 0.00 1.88 1.87 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.57 7.81 5 A 7.96 4.25 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 W 8.56 4.01 0.00 3.62 3.15 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 7 Q 8.36 4.12 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.63 0.00 8 N 8.15 4.35 0.00 2.83 2.85 0.00 0.00 7.06 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.08 4.40 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 10 H 8.91 4.61 0.00 3.42 3.45 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.80 4.51 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 *13 Y 7.73 5.15 0.00 3.36 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 14 E 8.19 4.07 0.00 2.03 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 2.45 2.74 0.00 15 N 7.99 4.95 0.00 2.66 2.76 0.00 0.00 6.68 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 16 D 7.66 4.69 0.00 2.70 2.37 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 17 A 8.15 3.94 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 18 C 8.06 4.03 0.00 3.12 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.44 3.98 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 20 K 7.78 3.84 0.00 1.74 1.80 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.82 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.93 1.31 7.81 21 A 8.11 4.03 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 22 L 7.74 4.38 0.00 1.92 1.74 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.21 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 24 I 8.14 4.48 2.04 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 1.23 0.63 0.92 0.00 0.00 25 D 9.08 4.91 0.00 2.51 2.45 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 26 I 7.83 4.48 1.66 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 -0.13 0.36 0.00 0.00 27 I 8.40 4.59 1.92 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 0.65 0.91 0.00 0.00 28 S 7.51 4.73 0.00 4.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *30 D 8.43 4.69 0.00 2.94 2.71 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 E 8.72 4.05 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 32 G 9.67 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 33 F 8.26 5.46 0.00 3.01 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.13 4.54 1.01 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 35 V 8.36 4.55 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.66 0.00 0.00 36 V 9.00 4.86 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 0.82 0.00 0.00 0.68 0.00 0.00 37 T 8.49 5.62 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 1.22 0.00 0.00 *39 T 8.27 4.48 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 1.28 0.00 0.00 40 V 8.81 3.80 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.94 0.00 0.00 41 T 8.45 4.77 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 1.26 0.00 0.00 42 A 8.45 4.15 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 43 Q 7.25 4.25 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.41 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 *45 L 7.73 4.25 0.00 1.68 1.66 0.97 1.22 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 46 N 8.89 4.71 0.00 2.72 2.46 0.00 0.00 6.97 5.12 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 47 G 8.47 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 48 H 8.93 4.89 0.00 3.24 3.27 0.00 5.76 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.93 4.15 0.00 2.36 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 50 S 7.45 4.88 0.00 3.80 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 51 C 8.45 4.50 0.00 3.22 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 52 H 8.86 4.34 0.00 3.27 3.21 0.00 5.68 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 53 G 8.96 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.19 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 55 Q 8.11 4.14 0.00 2.38 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 56 L 8.02 4.08 0.00 2.17 1.90 1.14 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.96 4.07 0.00 3.39 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 58 S 8.39 4.23 0.00 4.15 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 59 L 7.81 3.87 0.00 1.76 1.77 0.87 1.23 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 60 A 7.69 3.63 0.56 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 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.83 3.96 0.00 2.18 2.47 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 62 T 7.59 3.91 4.38 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 1.26 0.00 0.00 63 A 7.68 3.93 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.29 4.25 0.00 2.87 3.06 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 65 A 8.12 3.44 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 66 Y 8.10 3.63 0.00 2.96 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.18 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 68 C 7.41 4.12 0.00 2.52 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 7.46 4.79 0.00 2.61 2.66 0.00 0.00 6.68 7.23 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 70 S 7.76 4.11 0.00 3.94 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 0.00 71 Q 7.95 4.06 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.54 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 72 G 8.56 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 73 L 7.38 4.66 0.00 1.60 1.58 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.49 4.22 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 75 A 8.94 5.16 1.10 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 76 V 8.77 4.45 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.90 0.00 0.00 77 A 8.52 5.05 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 78 S 9.01 4.69 0.00 3.90 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.66 4.74 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 C 8.08 4.82 0.00 2.22 2.79 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 81 T 8.43 4.62 4.05 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 1.12 0.00 0.00 82 I 8.22 4.91 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.77 0.91 0.00 0.00 83 D 8.86 4.85 0.00 2.50 2.50 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 84 F 8.89 4.81 0.00 2.94 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 9.12 4.66 0.00 1.74 1.71 0.92 0.77 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 86 R 7.73 4.68 0.00 1.71 1.75 0.00 3.24 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 87 P 0.00 4.26 0.00 1.02 1.65 0.00 3.52 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 2.00 2.01 0.00 88 G 7.82 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.28 5.17 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 90 A 8.74 4.33 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 G 9.29 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 0.00 0.00 0.00 92 D 8.13 4.68 0.00 2.96 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 93 T 8.89 4.78 4.25 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 1.22 0.00 0.00 94 L 8.47 5.09 0.00 1.58 1.55 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 95 T 9.11 5.05 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 96 A 9.28 5.09 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 97 T 8.66 4.77 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 1.12 0.00 0.00 98 A 8.79 5.29 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 99 Q 9.38 5.34 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.96 0.00 0.00 0.00 0.00 0.00 2.57 2.39 0.00 100 V 8.38 3.33 1.79 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 0.61 0.00 0.00 0.44 0.00 0.00 101 R 8.76 4.48 0.00 1.69 1.94 0.00 3.32 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.83 0.00 102 H 7.58 4.76 0.00 3.17 3.05 0.00 5.86 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 8.21 4.56 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.56 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 104 G 9.08 4.11 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 0.00 105 K 8.65 4.02 0.00 1.76 1.89 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.37 7.81 106 Q 7.89 4.46 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.71 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 107 T 7.88 5.17 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 1.34 0.00 0.00 108 G 8.77 4.70 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 0.00 109 V 8.99 5.17 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 0.95 0.00 0.00 0.97 0.00 0.00 110 Y 8.99 5.05 0.00 2.87 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 0.00 111 D 9.32 5.17 0.00 2.62 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 0.00 112 I 8.91 5.63 1.87 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 1.02 0.55 0.71 0.00 0.00 113 E 8.56 5.03 0.00 1.99 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 114 I 8.83 4.98 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.68 0.89 0.00 0.00 115 V 8.91 4.97 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 1.03 0.00 0.00 0.93 0.00 0.00 116 N 8.95 5.53 0.00 2.90 2.97 0.00 0.00 6.63 7.15 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 0.00 117 Q 8.76 4.01 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 7.35 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 118 Q 8.22 4.29 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 119 Q 8.04 3.61 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 6.62 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 120 K 8.47 4.52 0.00 1.97 1.72 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.57 7.81 121 T 8.42 4.34 4.25 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 1.23 0.00 0.00 122 V 9.12 4.11 2.18 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 1.07 0.00 0.00 0.92 0.00 0.00 123 A 7.50 4.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.55 5.18 0.00 1.54 1.50 0.91 0.79 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 0.00 125 F 9.46 5.24 0.00 2.91 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 0.00 126 R 7.90 4.82 0.00 1.75 1.48 0.00 3.00 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.56 0.00 127 G 8.66 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 0.00 128 K 9.17 5.41 0.00 1.81 1.74 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.48 7.81 129 S 9.46 5.49 0.00 3.86 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 0.00 130 H 9.13 5.26 0.00 3.18 3.14 0.00 5.58 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.54 4.59 0.00 1.70 1.79 0.00 3.28 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.59 0.00 132 I 8.41 4.19 1.86 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 1.23 0.75 0.92 0.00 0.00 133 G 9.54 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 0.00 134 G 8.53 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 0.00 135 T 8.80 4.73 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 1.27 0.00 0.00 136 I 8.11 3.82 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.49 0.86 0.00 0.00 137 T 8.11 4.15 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 1.18 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.