NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6394 8.4201 118.1255 52.9843 39.8550 174.4429 0 A 3.9814 8.6316 121.8904 52.4218 18.1826 175.6259 2 S 4.6311 8.4194 111.9800 56.5410 66.5119 172.8383 3 R 4.3375 8.5286 124.4229 56.8153 30.0522 178.3054 4 D 4.3656 8.2879 121.4286 57.1374 40.7902 178.1990 5 L 4.0036 7.9760 120.4724 58.2708 42.3047 179.2063 6 G 3.5864 7.9826 105.0142 47.6798 0.0000 175.4190 7 R 3.8969 7.9784 121.2648 59.3070 30.1134 178.7052 8 L 4.0783 8.4544 119.0913 57.2962 41.6058 179.1366 9 L 3.9282 8.0391 120.6464 57.9549 41.9454 179.0072 10 K 3.9363 7.9260 119.0599 59.5106 32.0855 178.8499 11 I 3.6531 7.8100 119.8454 64.3413 36.8246 178.2698 12 A 3.9472 8.0533 120.6191 55.2200 18.2890 179.3799 13 S 4.1106 7.8987 110.4447 61.6166 62.7896 175.8068 14 N 4.5911 8.3119 120.7256 55.5503 38.1391 177.3597 15 Q 4.1538 8.1716 117.7619 57.1322 28.5639 177.7122 *17 S 4.2015 8.0343 115.2547 58.1848 65.3513 176.1012 18 T 3.9475 8.1401 117.8105 66.6971 68.1665 176.5337 19 R 4.1034 8.1584 119.9510 59.6627 30.0592 179.1660 20 F 4.6549 8.3540 116.8706 60.7698 38.9862 177.3864 21 D 4.4125 8.3365 118.3539 57.3601 40.4382 178.4641 22 I 3.6958 7.6637 119.1355 64.8113 37.1480 177.9019 23 F 4.2039 8.4708 120.8067 61.1247 39.0042 177.0269 24 A 3.7032 8.3590 120.9801 54.5590 18.0708 179.5978 25 K 3.8910 8.2808 116.7379 59.4769 32.6160 178.8242 26 K 3.9435 7.2771 119.6721 57.9766 32.2548 176.0830 27 Y 4.4868 7.6984 117.0534 58.8996 39.2719 174.9199 28 D 4.3445 8.3610 114.0271 54.5773 39.6734 172.8604 29 L 4.7985 7.1335 116.7144 53.4060 46.2793 176.7117 30 T 4.1974 8.8045 113.4454 61.0550 69.5995 174.9117 31 G 3.9663 8.9309 111.8821 49.3098 0.0000 175.5842 32 T 4.0610 8.1316 116.5922 66.7489 68.7583 177.7607 33 Q 3.9330 7.9074 119.6743 56.5681 28.8243 178.9814 *35 T 4.3642 7.9948 110.4324 61.8662 71.0248 176.1618 36 I 3.6670 7.7892 123.0152 64.2415 37.0590 178.1519 37 I 3.6822 7.8409 120.7153 64.5014 36.6971 177.7622 38 D 4.3405 8.1821 118.1405 57.5641 40.8143 177.4961 39 Y 4.3762 7.9299 118.4391 61.0595 39.1328 177.9313 40 L 3.8367 8.2137 119.8434 57.6736 41.4141 179.7196 41 S 4.1147 7.8259 114.5842 61.5921 62.8729 176.5617 42 R 4.1756 7.6214 118.7880 57.6268 29.5800 176.9366 43 N 4.9548 7.3972 116.3968 52.6751 39.2958 176.9196 44 K 4.0490 8.1427 120.2368 59.3198 32.4131 178.4042 45 N 4.3747 8.1655 115.5835 55.1778 38.5660 174.0463 46 K 4.5723 7.3234 115.7996 54.0637 35.5081 174.4754 47 E 4.2559 8.5369 120.2574 55.5191 30.1329 176.9693 48 V 4.0864 8.2508 126.0331 61.5434 32.5517 175.3717 49 L 4.5588 9.3659 129.1736 53.9609 42.9123 178.2597 50 Q 4.0137 8.8593 121.0241 59.5637 28.8638 178.6928 51 R 4.0921 8.0377 116.5429 59.4863 29.4268 178.4862 52 D 4.4249 7.9803 119.3359 56.9871 40.8104 178.4424 53 L 4.1091 7.9248 120.5348 58.1576 42.3769 178.5603 54 E 4.0186 8.5388 118.9155 59.4811 28.8862 179.3691 55 S 4.0549 8.0494 112.9641 61.5051 62.3220 175.8716 56 E 3.7609 7.9189 120.3723 58.3080 29.3739 177.6930 57 F 4.3555 8.0494 114.6050 55.6957 40.6755 175.2705 58 S 3.7359 7.5259 112.1905 59.6031 60.9921 171.2420 59 I 4.6563 7.5276 111.9119 58.4873 40.6919 176.6555 60 K 4.2756 8.2407 120.6945 55.9174 33.9656 178.4381 61 S 4.7155 8.8683 119.0391 61.3617 62.9258 177.0849 62 S 4.0919 8.1475 116.1336 62.0559 62.4463 176.7002 63 T 3.8474 7.8382 118.5064 66.1070 68.2747 176.5614 64 A 3.9445 8.2457 122.8865 55.5625 18.4405 179.2264 65 T 3.7967 8.5827 114.6065 67.5251 68.0759 176.7207 66 V 3.6362 7.8676 119.1575 65.8584 31.3578 178.3150 67 L 3.9871 7.7269 118.0922 57.8547 41.5873 179.1795 68 L 4.1225 8.0009 117.9409 57.5772 41.7938 179.0428 69 Q 4.2284 8.1161 118.2082 59.0706 28.6453 180.5158 70 R 4.0782 7.4298 115.9476 56.7441 29.8647 177.7093 *72 E 4.4687 8.0134 118.0191 55.9366 31.3210 177.4511 73 I 3.6356 7.7442 117.8355 64.6534 37.4413 177.2082 74 K 4.1876 8.6258 117.4429 56.2803 31.9627 177.4089 75 K 4.2882 8.4062 117.7906 57.6612 30.0726 176.5437 76 L 4.6279 7.3962 118.4400 55.8104 43.5344 176.3748 77 L 5.3524 7.7231 117.4898 54.5083 44.8083 174.3819 78 Y 4.9429 8.4508 116.1581 55.9858 42.0157 173.7036 79 R 4.9295 8.6409 118.4672 54.6510 31.9591 176.0952 80 K 4.7750 9.0633 124.2637 54.1243 36.0389 175.4793 81 V 4.0813 8.6534 126.4811 63.4658 31.9126 175.1852 82 S 4.8914 8.1788 122.1121 56.9638 64.6074 174.3734 83 G 3.7729 9.4821 110.3225 46.9753 0.0000 174.5783 84 K 3.7432 7.7049 121.2725 58.5936 32.7794 176.3760 85 D 4.6323 7.9962 127.3727 52.9803 40.2511 177.7389 86 S 4.3238 8.6463 119.4965 59.9834 63.0915 175.3393 87 R 4.4190 7.8522 119.1409 56.8726 31.8327 175.8573 88 Q 4.5563 7.7280 117.8349 54.7617 31.2088 174.6706 89 K 4.8373 8.5347 123.8542 55.6295 33.5645 175.8584 90 C 4.9116 9.0623 119.5701 56.6130 32.5741 172.4952 91 L 4.8488 8.5309 121.2155 53.8145 42.5478 176.3976 92 K 4.5024 8.3511 121.9054 54.2699 36.4013 175.3716 93 L 4.8279 8.2887 122.9706 54.4402 42.7836 177.0857 94 T 4.4038 8.6226 114.0559 60.9931 69.8528 175.5939 95 K 4.0149 8.7315 121.8563 59.1014 31.8499 178.4368 96 K 3.9146 8.0804 118.8769 59.6549 32.3529 178.2290 97 A 4.1377 7.7222 119.4128 55.0405 17.9615 179.2719 98 N 4.6665 8.0349 116.6220 55.9432 38.3308 177.6216 99 K 4.1665 7.5906 117.8434 58.9064 32.4165 178.8463 100 L 4.1427 7.7330 118.8459 56.3382 41.4912 178.7131 101 E 3.9501 7.6928 118.4045 59.8573 29.6006 179.3921 102 T 3.8856 7.8738 108.8661 64.8640 68.6653 176.3047 103 I 3.7451 7.6331 122.0240 64.1242 37.0620 178.1913 104 I 3.8751 7.7555 119.4011 64.6809 37.1083 178.3512 105 L 4.2549 8.2450 118.4976 57.5998 41.6594 179.3907 106 S 4.2569 7.9963 113.0074 61.3521 62.0070 177.0496 107 Y 3.9470 7.9267 120.7559 57.8930 37.8665 177.0418 *109 D 4.3691 8.1325 118.2252 53.4154 43.2954 177.7463 110 S 4.0368 7.7527 113.9874 60.9512 62.2260 175.3694 111 D 4.0347 8.0757 120.0503 57.4915 41.0659 177.9290 112 Q 4.1169 7.7066 116.7695 58.8447 28.8719 178.2036 113 S 4.3033 7.1402 112.1379 61.7109 63.3340 176.4356 114 Q 3.9158 8.2359 117.0041 57.7677 28.4422 177.9629 *116 T 4.3076 7.8510 107.5096 60.9946 70.3248 175.7476 117 S 4.1153 7.9513 118.3041 61.5705 62.9907 175.6743 118 G 3.7601 7.9687 107.3748 46.3138 0.0000 173.2464 119 L 4.6246 7.3989 120.1719 53.4119 43.2257 176.4032 120 N 4.6298 9.0436 119.6926 52.5410 39.6412 176.2071 121 K 3.8242 8.8857 121.9058 60.1994 32.1661 178.8318 122 E 4.1145 8.1426 117.0247 58.4692 29.3760 178.9973 123 E 4.0125 8.2233 119.6479 59.2503 29.5587 179.0881 124 V 3.5949 7.7650 117.8038 65.9789 31.6129 177.9549 125 V 3.5592 7.9979 117.9921 65.9416 31.4685 177.5397 126 F 3.9510 8.2484 120.2748 61.3295 39.1493 176.7929 127 L 3.9696 8.2172 119.7675 58.2020 41.8930 178.6147 128 E 3.9227 8.3382 118.5831 59.4509 29.1664 179.5774 129 K 3.8668 7.8947 118.2956 59.6051 31.8833 179.5782 130 I 3.6317 7.1545 118.6178 64.1176 37.0468 178.1802 131 L 4.0828 7.9940 119.6255 57.3770 41.7587 178.9785 132 K 4.0579 7.9542 119.6987 59.5272 32.0213 179.9912 133 R 4.4005 7.3136 116.9733 56.3043 29.5872 178.6416 *135 I 4.1031 7.7019 121.4653 61.5576 39.1026 177.1745 136 E 4.0550 8.2065 119.4569 59.5543 29.2971 178.6737 137 S 4.6316 7.5834 111.3333 58.2570 63.0022 173.8720 138 D 4.4688 7.9474 125.9223 54.5819 40.9513 175.8522 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 N 8.42 4.64 0.00 2.71 2.82 0.00 0.00 6.90 6.46 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 A 8.63 3.98 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 2 S 8.42 4.63 0.00 3.77 3.68 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 0.00 0.00 0.00 0.00 3 R 8.53 4.34 0.00 1.86 1.93 0.00 3.35 0.00 0.00 3.34 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 4 D 8.29 4.37 0.00 2.68 2.72 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 0.00 0.00 0.00 0.00 5 L 7.98 4.00 0.00 1.76 1.67 0.94 1.04 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 6 G 7.98 3.59 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 0.00 7 R 7.98 3.90 0.00 1.99 1.93 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 8 L 8.45 4.08 0.00 1.73 1.69 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.04 3.93 0.00 1.87 1.88 0.91 0.26 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 10 K 7.93 3.94 0.00 1.89 1.94 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.47 7.81 11 I 7.81 3.65 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 1.45 0.65 0.91 0.00 0.00 12 A 8.05 3.95 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 13 S 7.90 4.11 0.00 3.94 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 14 N 8.31 4.59 0.00 2.81 2.84 0.00 0.00 6.21 7.86 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 15 Q 8.17 4.15 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.38 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 *17 S 8.03 4.20 0.00 4.06 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 18 T 8.14 3.95 4.42 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 1.25 0.00 0.00 19 R 8.16 4.10 0.00 2.01 2.29 0.00 3.18 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.92 0.00 20 F 8.35 4.65 0.00 3.26 3.18 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 21 D 8.34 4.41 0.00 2.95 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 22 I 7.66 3.70 2.20 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 1.46 0.38 0.99 0.00 0.00 23 F 8.47 4.20 0.00 2.62 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 24 A 8.36 3.70 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 25 K 8.28 3.89 0.00 1.83 2.01 0.00 1.44 0.00 0.00 1.60 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.67 7.81 26 K 7.28 3.94 0.00 1.38 1.43 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.90 1.22 7.81 27 Y 7.70 4.49 0.00 2.71 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 28 D 8.36 4.34 0.00 2.68 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 29 L 7.13 4.80 0.00 1.78 1.47 0.86 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.80 4.20 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 31 G 8.93 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 32 T 8.13 4.06 4.24 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 1.12 0.00 0.00 33 Q 7.91 3.93 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.38 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 *35 T 7.99 4.36 4.50 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 1.49 0.00 0.00 36 I 7.79 3.67 1.96 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.65 0.91 0.00 0.00 37 I 7.84 3.68 1.87 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 0.63 0.90 0.00 0.00 38 D 8.18 4.34 0.00 2.82 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 39 Y 7.93 4.38 0.00 3.36 3.40 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 40 L 8.21 3.84 0.00 1.69 1.61 0.91 0.63 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 41 S 7.83 4.11 0.00 3.85 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 42 R 7.62 4.18 0.00 1.88 1.97 0.00 3.16 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 43 N 7.40 4.95 0.00 2.33 2.52 0.00 0.00 6.84 8.88 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 44 K 8.14 4.05 0.00 1.70 1.84 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.68 7.81 45 N 8.17 4.37 0.00 2.68 2.86 0.00 0.00 6.60 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.32 4.57 0.00 1.67 1.63 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.35 7.81 47 E 8.54 4.26 0.00 1.88 1.87 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 2.27 2.28 0.00 48 V 8.25 4.09 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 1.18 0.00 0.00 0.72 0.00 0.00 49 L 9.37 4.56 0.00 1.71 1.59 0.93 0.64 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 50 Q 8.86 4.01 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.89 0.00 0.00 0.00 0.00 0.00 2.60 2.44 0.00 51 R 8.04 4.09 0.00 2.10 2.20 0.00 3.03 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 52 D 7.98 4.42 0.00 3.00 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 53 L 7.92 4.11 0.00 1.89 1.95 0.99 0.87 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 54 E 8.54 4.02 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 55 S 8.05 4.05 0.00 4.12 3.85 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 56 E 7.92 3.76 0.00 1.91 1.75 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 1.47 1.47 0.00 57 F 8.05 4.36 0.00 3.10 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 58 S 7.53 3.74 0.00 3.94 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 59 I 7.53 4.66 1.89 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 1.38 0.89 1.02 0.00 0.00 60 K 8.24 4.28 0.00 1.83 1.77 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.53 7.81 61 S 8.87 4.72 0.00 3.86 3.93 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 62 S 8.15 4.09 0.00 4.04 4.14 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 63 T 7.84 3.85 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 64 A 8.25 3.94 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 65 T 8.58 3.80 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 66 V 7.87 3.64 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 0.99 0.00 0.00 67 L 7.73 3.99 0.00 1.90 1.66 0.86 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.00 4.12 0.00 1.59 1.72 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.12 4.23 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.09 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 70 R 7.43 4.08 0.00 1.94 2.04 0.00 3.17 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 *72 E 8.01 4.47 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.61 0.00 73 I 7.74 3.64 2.04 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 1.30 0.76 0.91 0.00 0.00 74 K 8.63 4.19 0.00 1.87 1.84 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.51 7.81 75 K 8.41 4.29 0.00 1.88 1.93 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.40 7.81 76 L 7.40 4.63 0.00 1.68 1.70 0.92 0.43 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 77 L 7.72 5.35 0.00 1.78 1.69 0.98 0.47 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 78 Y 8.45 4.94 0.00 3.08 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 79 R 8.64 4.93 0.00 1.76 1.91 0.00 3.32 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 80 K 9.06 4.77 0.00 1.97 1.55 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.44 7.81 81 V 8.65 4.08 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 0.86 0.00 0.00 0.96 0.00 0.00 82 S 8.18 4.89 0.00 3.90 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 9.48 3.77 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 0.00 0.00 0.00 84 K 7.70 3.74 0.00 1.77 1.87 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.42 7.81 85 D 8.00 4.63 0.00 2.89 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 86 S 8.65 4.32 0.00 3.98 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 87 R 7.85 4.42 0.00 1.82 1.98 0.00 3.15 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 88 Q 7.73 4.56 0.00 2.18 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 89 K 8.53 4.84 0.00 1.69 1.72 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.44 7.81 90 C 9.06 4.91 0.00 3.08 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 91 L 8.53 4.85 0.00 1.47 1.56 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.35 4.50 0.00 0.79 1.11 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.74 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.05 1.29 7.81 93 L 8.29 4.83 0.00 1.52 1.60 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 94 T 8.62 4.40 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 1.40 0.00 0.00 95 K 8.73 4.01 0.00 1.86 1.86 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.51 7.81 96 K 8.08 3.91 0.00 1.80 1.97 0.00 1.84 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 97 A 7.72 4.14 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 98 N 8.03 4.67 0.00 2.95 2.90 0.00 0.00 6.92 7.79 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 99 K 7.59 4.17 0.00 1.94 1.89 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.49 7.81 100 L 7.73 4.14 0.00 1.72 1.53 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 101 E 7.69 3.95 0.00 2.18 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 2.33 2.52 0.00 102 T 7.87 3.89 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 0.00 103 I 7.63 3.75 1.80 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 1.65 0.96 0.96 0.00 0.00 104 I 7.76 3.88 2.05 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.46 0.95 0.00 0.00 105 L 8.25 4.25 0.00 1.64 1.73 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.00 4.26 0.00 4.12 4.08 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 0.00 107 Y 7.93 3.95 0.00 2.18 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *109 D 8.13 4.37 0.00 2.84 2.68 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 0.00 0.00 0.00 0.00 110 S 7.75 4.04 0.00 3.92 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 0.00 111 D 8.08 4.03 0.00 1.58 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 0.00 0.00 0.00 0.00 112 Q 7.71 4.12 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 113 S 7.14 4.30 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 0.00 114 Q 8.24 3.92 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 *116 T 7.85 4.31 4.24 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 1.24 0.00 0.00 117 S 7.95 4.12 0.00 4.03 4.29 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 0.00 118 G 7.97 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 0.00 119 L 7.40 4.62 0.00 1.84 1.60 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 120 N 9.04 4.63 0.00 2.73 2.72 0.00 0.00 6.65 8.24 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 0.00 121 K 8.89 3.82 0.00 1.82 1.83 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.56 7.81 122 E 8.14 4.11 0.00 2.02 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 2.41 2.35 0.00 123 E 8.22 4.01 0.00 2.22 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 2.29 2.30 0.00 124 V 7.77 3.59 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 1.11 0.00 0.00 0.94 0.00 0.00 125 V 8.00 3.56 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 0.97 0.00 0.00 0.99 0.00 0.00 126 F 8.25 3.95 0.00 3.32 3.18 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 0.00 127 L 8.22 3.97 0.00 1.89 1.83 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.34 3.92 0.00 2.16 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 0.00 2.31 2.47 0.00 129 K 7.89 3.87 0.00 1.68 1.70 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.68 7.81 130 I 7.15 3.63 1.72 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.48 0.85 0.00 0.00 131 L 7.99 4.08 0.00 1.55 1.69 0.90 0.80 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 0.00 132 K 7.95 4.06 0.00 1.79 1.92 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.45 7.81 133 R 7.31 4.40 0.00 1.81 1.87 0.00 3.18 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.47 0.00 *135 I 7.70 4.10 2.04 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.59 0.88 0.00 0.00 136 E 8.21 4.06 0.00 2.21 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 2.31 2.34 0.00 137 S 7.58 4.63 0.00 3.82 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 0.00 138 D 7.95 4.47 0.00 2.60 2.54 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 * Residues marked with a * may have inaccurate shift predictions.