NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5176 8.1633 118.3364 54.8839 33.3224 173.7119 2 K 4.6214 8.3169 118.8170 55.6348 33.6558 171.4204 3 V 4.3232 8.9022 117.9053 59.3969 35.8700 175.3315 4 I 3.4163 8.8181 125.1176 62.9481 37.8149 174.7337 5 L 3.7764 8.3122 130.6380 55.9028 40.5087 173.8638 6 L 4.7089 7.7004 125.5491 53.9874 41.9472 176.6242 7 E 4.7644 7.4226 114.1590 55.1912 32.8256 174.4578 8 P 4.9171 0.0000 0.0000 62.1820 31.8800 175.8510 9 L 4.8152 8.0548 117.3869 53.1503 45.8102 177.6107 10 E 3.8944 8.6050 124.0414 59.0193 29.8053 177.8082 11 N 4.8771 8.0889 112.1119 52.4742 39.1339 174.3838 12 L 4.4955 7.3665 118.8060 52.7792 43.2275 176.2913 13 G 3.9981 8.4720 110.1042 45.5901 0.0000 175.9734 14 D 4.7806 8.1316 119.0104 53.8840 40.7618 178.5384 15 V 4.2948 8.2823 117.3329 61.0561 33.9119 176.8133 16 G 4.2331 8.6869 109.7731 46.6281 0.0000 174.3375 17 Q 4.0132 8.2760 119.4247 55.6569 28.7298 175.8586 18 V 4.2238 8.3149 124.4344 62.5711 32.1881 175.4565 19 V 4.5669 8.4880 126.3730 59.9211 35.3790 173.9375 20 D 5.1375 8.6503 121.5842 53.2552 41.8526 175.6345 21 V 4.6802 8.3939 118.6070 58.7649 36.0195 175.9380 22 K 4.0256 8.7784 121.1450 56.3302 32.2230 175.7435 23 P 4.2628 0.0000 0.0000 66.1801 31.2693 178.3947 24 G 4.0005 8.2794 103.5041 48.3838 0.0000 174.6495 25 Y 4.3059 8.2742 121.1350 60.7552 39.0914 177.9683 26 A 3.9109 8.0087 121.2543 54.9943 18.3818 179.2596 27 R 3.9759 8.5179 116.5167 59.2080 30.3120 177.6280 28 N 4.9684 8.0760 112.1180 53.2886 39.6087 174.1711 29 Y 4.7735 8.3350 118.8022 57.2549 41.5961 177.5685 30 L 3.4078 8.7147 114.0355 58.0301 42.1727 179.1947 31 L 4.1855 5.6200 124.4203 58.1019 43.0237 176.6127 32 P 4.3786 0.0000 0.0000 65.3764 32.3641 177.8376 33 R 3.7957 8.3399 115.1416 58.1922 29.1865 176.8643 34 G 4.0709 5.5140 114.4759 46.3761 0.0000 174.4657 35 L 3.2251 7.4576 115.5545 57.6076 41.6648 178.0050 36 A 5.1660 8.0115 121.5866 50.6552 23.4040 176.1453 37 V 4.5559 7.9198 116.9614 60.5358 35.5608 174.3394 38 L 4.1753 8.6359 126.4121 55.1310 42.3115 177.4581 39 A 4.5654 7.6380 129.3125 51.4445 16.9214 176.4675 40 T 4.1128 7.3307 113.3880 61.0293 70.9160 174.9827 41 E 4.0248 8.6740 120.4190 59.1001 29.6910 178.6887 42 S 4.1404 8.0682 112.4462 60.2915 62.5871 174.4575 43 N 4.5529 7.7995 114.9244 53.6171 39.7506 176.0210 44 L 4.3787 7.2477 117.4118 56.0347 41.6570 178.7563 45 K 4.1490 8.3478 119.0008 58.8983 32.0086 178.6885 46 A 4.1589 7.6121 119.8157 53.9486 18.1948 179.1723 47 L 4.1088 7.4132 116.5359 57.0578 41.8090 178.5013 48 E 4.0994 7.9667 116.5076 57.8419 29.0920 178.7644 49 A 4.1731 7.7291 121.2262 54.7630 18.8133 179.2911 50 R 4.1723 7.7271 115.7727 58.2364 30.0854 179.1595 51 I 3.8198 7.8429 119.8885 64.2031 37.5871 177.8917 52 R 4.0228 7.6190 117.0070 59.5496 28.9284 178.8092 53 A 4.0244 7.6210 118.7921 55.1395 18.1764 178.5242 54 Q 3.9234 7.5598 113.0986 56.6829 29.1516 176.3925 55 A 4.5030 8.3508 121.8912 53.4887 19.5214 178.4428 56 K 4.9439 7.2367 115.6644 57.0301 33.5388 177.4655 57 R 4.3278 7.6924 120.8834 58.6454 31.0491 177.4007 58 L 3.9258 7.6710 119.2360 58.1431 42.1863 178.2443 59 A 3.5235 7.2541 119.1958 55.4764 17.9664 179.2217 60 E 4.0574 8.0472 116.5705 59.4765 29.6684 179.2496 61 R 4.7281 7.5727 120.1845 58.8191 29.7606 178.2954 62 K 3.8629 9.0190 120.1867 58.8953 31.7969 177.9075 63 A 4.0505 7.4070 118.9235 53.9329 19.4937 178.9943 64 E 4.0229 7.9385 116.6381 59.5647 29.6650 178.7856 65 A 4.0338 8.0525 120.8044 55.5153 18.2447 179.3056 66 E 4.0095 7.5626 115.3449 58.7699 29.7717 178.7317 67 R 4.0570 8.5394 119.5717 59.4962 30.3709 177.9820 68 L 3.7900 8.0315 118.2688 57.7970 41.5680 179.1423 69 K 3.8389 7.8959 119.2178 59.9626 32.0312 177.9512 70 E 3.9345 8.8262 118.8867 60.0659 29.5509 178.9306 71 I 3.6348 7.7508 117.6643 63.7939 37.9458 177.4990 72 L 3.8929 7.8623 119.9976 58.4681 41.7409 179.3445 73 E 4.0812 8.0386 116.6818 59.4428 29.5209 177.7422 74 N 4.5777 7.9504 114.1646 54.2251 39.0329 174.4241 75 L 4.8721 7.6787 117.4258 53.7532 45.3459 175.1588 76 T 4.8167 8.2496 112.4195 59.7481 72.1982 172.6514 77 L 4.8840 8.4996 123.5509 53.5287 45.3214 175.0354 78 T 4.8953 8.6602 115.9354 60.0309 71.1700 173.6322 79 I 4.4444 8.5144 125.3615 58.6839 39.6502 173.0157 80 P 4.2788 0.0000 0.0000 63.3402 31.5732 175.6127 81 V 4.3856 7.7234 125.0759 60.6961 33.8910 175.3564 82 R 4.1223 8.7465 127.8818 55.7276 29.5175 174.6749 83 A 4.8729 8.4092 127.3958 50.5005 21.8985 173.5562 84 G 4.1674 7.7074 104.9782 45.1443 0.0000 173.1336 85 E 4.3773 7.8820 120.8019 55.5274 31.3644 177.4339 86 T 4.6352 7.0218 110.3128 61.7162 69.7564 172.8357 87 K 4.1004 7.9980 121.7540 56.1763 33.2382 176.0064 88 I 3.1115 7.4519 115.9494 62.5583 33.9748 171.9538 89 Y 4.3473 6.9288 117.7821 58.5856 38.6665 176.6516 90 G 4.0586 7.8771 114.2908 44.0245 0.0000 171.0733 91 S 4.6950 8.4019 119.2154 56.9777 66.2784 174.3020 92 V 4.5838 7.8559 120.5469 59.3491 30.9559 174.8331 93 T 4.0467 8.8834 113.9705 62.1534 70.9721 175.0618 94 A 3.9551 8.4287 122.7566 55.3748 18.4478 179.8311 95 K 3.6973 8.2218 116.4403 59.8218 31.6143 179.0899 96 D 4.3160 7.9718 118.9409 57.2810 40.6723 178.4008 97 I 3.7702 7.6592 119.0553 64.8571 37.3877 177.8708 98 A 4.0471 8.7657 121.7548 54.8169 18.1765 178.8639 99 E 3.8250 8.8247 117.0498 59.6448 29.4778 179.3276 100 A 4.1416 9.2254 120.5388 54.0505 17.5700 178.3148 101 L 4.0770 7.9880 117.9526 55.9602 42.3935 177.3937 102 S 4.3613 7.7608 111.5367 59.9446 62.4767 175.4841 103 R 4.1219 7.3743 119.4269 58.6508 30.4212 177.6821 104 Q 4.4320 7.9129 114.3293 56.6656 29.6977 175.9959 105 H 4.6809 8.0015 114.3457 54.9506 33.9021 175.7587 106 G 4.4756 8.1950 106.1701 44.7011 0.0000 174.2655 107 V 3.5972 7.3278 118.9735 63.7612 31.9383 175.0565 108 T 4.6944 8.2096 121.9170 61.8026 70.4780 174.0199 109 I 4.7182 7.9088 117.3665 59.7906 40.4205 173.6698 110 D 4.8108 9.0733 123.5980 52.5088 42.4375 175.8582 111 P 4.3123 0.0000 0.0000 65.9261 31.5404 178.3549 112 K 3.7577 8.3637 117.2074 59.4525 31.5200 177.8279 113 R 3.5748 7.2626 116.0221 58.6861 30.1898 175.6472 114 L 4.2275 7.7489 128.7562 54.2181 42.3492 176.6337 115 A 4.2897 8.7523 129.2507 52.3748 17.2238 175.6027 116 L 4.6276 8.1188 121.1260 54.4572 44.9900 174.4606 117 E 4.4167 9.0445 122.8706 56.9321 31.3421 176.1586 118 K 4.3496 7.6798 118.6928 53.7368 33.6697 174.0504 119 P 4.3284 0.0000 0.0000 63.0000 29.8880 175.0983 120 I 3.4296 6.8481 122.3866 58.6256 38.6487 176.5223 121 K 4.4956 8.0178 122.2494 55.2580 33.1651 175.7154 122 E 4.5159 8.1916 119.5889 54.0678 31.9812 174.4374 123 L 4.6052 8.1309 127.8297 54.9504 42.8698 176.8833 124 G 3.7548 7.7830 110.2765 43.7011 0.0000 170.8077 125 E 5.2807 7.7968 117.9900 54.2943 31.6026 175.1024 126 Y 4.9483 8.1269 121.4249 56.2850 42.2063 174.4682 127 V 4.7773 8.4953 119.9442 62.5156 33.3998 174.7520 128 L 4.8177 9.1611 128.4445 53.4278 44.9858 175.6126 129 T 5.0687 8.3023 116.5032 62.3662 70.9340 173.3289 130 Y 5.1672 8.6121 125.8138 56.0990 41.9178 175.9593 131 K 4.4352 7.3134 120.7976 54.3964 32.3037 174.3587 132 P 4.2131 0.0000 0.0000 64.8178 32.3283 176.8101 133 H 4.7312 8.1697 116.5629 55.2012 32.7711 172.7342 134 P 4.0335 0.0000 0.0000 65.2510 31.4374 176.7696 135 E 4.5485 7.3170 113.7302 55.8475 29.8948 176.7659 136 V 4.3310 8.1495 120.9204 61.5852 31.8831 172.6051 137 P 4.6920 0.0000 0.0000 61.9432 33.0582 175.6985 138 I 4.5518 8.0509 121.7597 60.2058 41.3908 174.1317 139 Q 4.7841 8.4624 126.9803 55.0649 29.5618 175.2909 140 L 4.5535 9.3367 128.8250 53.0792 44.2361 175.5162 141 K 4.7941 8.6216 126.7587 56.5537 33.5550 176.8685 142 V 4.7591 8.5837 125.1607 61.8356 35.1791 174.7157 143 S 4.8405 8.3838 114.8765 57.9497 64.6808 173.1859 144 V 3.9834 9.0938 130.2600 61.3585 29.1312 175.0309 145 V 4.1388 7.6637 125.4341 61.7495 33.8405 175.6289 *146 A 4.1192 8.2983 124.7363 52.3960 18.7690 176.5718 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 8.16 4.52 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 2 K 8.32 4.62 0.00 1.78 1.76 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.48 7.81 3 V 8.90 4.32 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 0.83 0.00 0.00 0.93 0.00 0.00 4 I 8.82 3.42 1.97 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 1.10 0.60 0.96 0.00 0.00 5 L 8.31 3.78 0.00 1.83 2.00 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.70 4.71 0.00 1.82 1.62 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.42 4.76 0.00 1.86 1.77 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 2.08 2.18 0.00 8 P 0.00 4.92 0.00 2.04 1.98 0.00 3.68 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.25 0.00 9 L 8.05 4.82 0.00 1.80 1.54 0.93 0.90 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 10 E 8.60 3.89 0.00 1.94 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 2.32 2.44 0.00 11 N 8.09 4.88 0.00 2.85 2.91 0.00 0.00 5.97 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 12 L 7.37 4.50 0.00 1.77 1.61 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.47 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 14 D 8.13 4.78 0.00 2.76 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 0.00 0.00 0.00 15 V 8.28 4.29 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 0.82 0.00 0.00 0.91 0.00 0.00 16 G 8.69 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 0.00 0.00 0.00 0.00 17 Q 8.28 4.01 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 18 V 8.31 4.22 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 0.78 0.00 0.00 0.92 0.00 0.00 19 V 8.49 4.57 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 0.65 0.00 0.00 0.93 0.00 0.00 20 D 8.65 5.14 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 21 V 8.39 4.68 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 0.70 0.00 0.00 0.83 0.00 0.00 22 K 8.78 4.03 0.00 1.94 1.82 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.48 7.81 23 P 0.00 4.26 0.00 2.18 2.12 0.00 3.67 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 24 G 8.28 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 25 Y 8.27 4.31 0.00 2.96 3.16 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 26 A 8.01 3.91 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 27 R 8.52 3.98 0.00 1.94 2.03 0.00 3.26 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 1.67 1.70 0.00 28 N 8.08 4.97 0.00 2.95 2.89 0.00 0.00 6.79 7.49 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 29 Y 8.34 4.77 0.00 3.09 3.17 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 30 L 8.71 3.41 0.00 1.62 1.43 0.56 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 31 L 5.62 4.19 0.00 1.63 1.91 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.38 0.00 2.21 2.10 0.00 3.89 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 33 R 8.34 3.80 0.00 1.62 1.58 0.00 2.21 0.00 0.00 2.53 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 34 G 5.51 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 35 L 7.46 3.23 0.00 1.55 1.46 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.01 5.17 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 37 V 7.92 4.56 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 0.83 0.00 0.00 0.90 0.00 0.00 38 L 8.64 4.18 0.00 1.68 1.56 0.91 1.00 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 39 A 7.64 4.57 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.33 4.11 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 1.26 0.00 0.00 41 E 8.67 4.02 0.00 2.02 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 2.35 2.28 0.00 42 S 8.07 4.14 0.00 3.89 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 43 N 7.80 4.55 0.00 2.72 2.81 0.00 0.00 6.94 7.99 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 44 L 7.25 4.38 0.00 2.05 1.69 0.92 0.85 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 45 K 8.35 4.15 0.00 1.83 1.84 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.59 7.81 46 A 7.61 4.16 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 47 L 7.41 4.11 0.00 1.91 1.71 0.91 0.83 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 48 E 7.97 4.10 0.00 2.18 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 2.32 2.32 0.00 49 A 7.73 4.17 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.73 4.17 0.00 1.81 1.97 0.00 3.11 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 51 I 7.84 3.82 1.96 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 1.66 0.70 0.91 0.00 0.00 52 R 7.62 4.02 0.00 2.03 1.98 0.00 3.37 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 53 A 7.62 4.02 1.43 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 54 Q 7.56 3.92 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 55 A 8.35 4.50 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 56 K 7.24 4.94 0.00 2.07 1.87 0.00 1.58 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.40 7.81 57 R 7.69 4.33 0.00 2.25 1.91 0.00 3.16 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 58 L 7.67 3.93 0.00 1.76 1.59 0.85 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.25 3.52 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.05 4.06 0.00 2.23 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 2.39 2.53 0.00 61 R 7.57 4.73 0.00 1.82 2.02 0.00 3.08 0.00 0.00 3.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.47 0.00 62 K 9.02 3.86 0.00 1.70 1.94 0.00 1.69 0.00 0.00 1.88 0.00 0.00 3.21 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.58 7.81 63 A 7.41 4.05 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 64 E 7.94 4.02 0.00 2.14 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 2.40 2.64 0.00 65 A 8.05 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 66 E 7.56 4.01 0.00 2.04 2.19 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 2.34 2.38 0.00 67 R 8.54 4.06 0.00 1.98 2.09 0.00 3.19 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 68 L 8.03 3.79 0.00 1.79 1.76 1.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.90 3.84 0.00 1.98 2.06 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.54 7.81 70 E 8.83 3.93 0.00 2.06 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 2.48 2.49 0.00 71 I 7.75 3.63 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 1.60 1.34 0.92 0.00 0.00 72 L 7.86 3.89 0.00 1.64 1.72 0.74 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.04 4.08 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 2.54 2.42 0.00 74 N 7.95 4.58 0.00 2.68 2.96 0.00 0.00 7.06 7.74 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 75 L 7.68 4.87 0.00 1.67 1.58 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.25 4.82 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 1.20 0.00 0.00 77 L 8.50 4.88 0.00 1.71 1.46 0.98 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.66 4.90 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 1.21 0.00 0.00 79 I 8.51 4.44 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.97 0.92 0.00 0.00 80 P 0.00 4.28 0.00 1.94 2.07 0.00 3.63 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 81 V 7.72 4.39 2.35 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 0.77 0.00 0.00 1.04 0.00 0.00 82 R 8.75 4.12 0.00 1.85 1.91 0.00 3.26 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 83 A 8.41 4.87 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 84 G 7.71 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 85 E 7.88 4.38 0.00 1.90 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 2.19 2.31 0.00 86 T 7.02 4.64 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 1.20 0.00 0.00 87 K 8.00 4.10 0.00 1.48 1.44 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.26 1.30 7.81 88 I 7.45 3.11 1.83 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 1.46 0.78 0.91 0.00 0.00 89 Y 6.93 4.35 0.00 3.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.88 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 0.00 0.00 0.00 91 S 8.40 4.70 0.00 3.78 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 92 V 7.86 4.58 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 0.85 0.00 0.00 0.95 0.00 0.00 93 T 8.88 4.05 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 1.26 0.00 0.00 94 A 8.43 3.96 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 95 K 8.22 3.70 0.00 1.82 1.91 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.57 7.81 96 D 7.97 4.32 0.00 2.96 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 97 I 7.66 3.77 2.01 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 1.71 0.73 0.87 0.00 0.00 98 A 8.77 4.05 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 99 E 8.82 3.83 0.00 2.02 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 2.32 2.36 0.00 100 A 9.23 4.14 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.99 4.08 0.00 1.88 1.77 0.76 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 102 S 7.76 4.36 0.00 3.90 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 0.00 103 R 7.37 4.12 0.00 1.88 1.97 0.00 3.21 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 104 Q 7.91 4.43 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 105 H 8.00 4.68 0.00 3.50 3.26 0.00 5.93 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.19 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.33 3.60 2.19 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 0.74 0.00 0.00 0.99 0.00 0.00 108 T 8.21 4.69 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 1.24 0.00 0.00 109 I 7.91 4.72 1.85 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 1.43 0.53 0.72 0.00 0.00 110 D 9.07 4.81 0.00 2.78 2.65 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 0.00 0.00 0.00 0.00 111 P 0.00 4.31 0.00 2.23 2.34 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 112 K 8.36 3.76 0.00 1.75 1.93 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.44 7.81 113 R 7.26 3.57 0.00 1.49 1.12 0.00 3.29 0.00 0.00 3.00 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.46 0.00 114 L 7.75 4.23 0.00 1.94 1.76 0.94 1.19 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 0.00 115 A 8.75 4.29 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 0.00 116 L 8.12 4.63 0.00 1.60 1.49 0.93 0.92 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 0.00 117 E 9.04 4.42 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 118 K 7.68 4.35 0.00 1.83 1.82 0.00 1.53 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.26 1.35 7.81 119 P 0.00 4.33 0.00 2.05 2.08 0.00 3.69 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 120 I 6.85 3.43 1.85 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 1.23 0.37 0.85 0.00 0.00 121 K 8.02 4.50 0.00 1.67 1.71 0.00 1.68 0.00 0.00 1.60 0.00 0.00 3.14 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.62 7.81 122 E 8.19 4.52 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 2.29 2.34 0.00 123 L 8.13 4.61 0.00 1.64 1.56 0.91 1.12 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 0.00 124 G 7.78 3.75 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 0.00 0.00 0.00 125 E 7.80 5.28 0.00 2.06 1.83 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 2.06 2.01 0.00 126 Y 8.13 4.95 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 0.00 127 V 8.50 4.78 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 0.81 0.00 0.00 0.96 0.00 0.00 128 L 9.16 4.82 0.00 1.59 1.56 0.91 0.56 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 0.00 129 T 8.30 5.07 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 1.24 0.00 0.00 130 Y 8.61 5.17 0.00 2.82 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 7.31 4.44 0.00 1.43 1.55 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.39 7.81 132 P 0.00 4.21 0.00 2.06 2.12 0.00 3.91 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 133 H 8.17 4.73 0.00 3.12 3.10 0.00 5.90 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.03 0.00 2.03 2.03 0.00 3.93 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 135 E 7.32 4.55 0.00 2.00 1.93 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 1.83 2.17 0.00 136 V 8.15 4.33 2.19 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 0.84 0.00 0.00 0.99 0.00 0.00 137 P 0.00 4.69 0.00 1.99 1.97 0.00 3.70 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 138 I 8.05 4.55 2.05 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.01 0.95 0.00 0.00 139 Q 8.46 4.78 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 140 L 9.34 4.55 0.00 1.61 1.50 0.84 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.62 4.79 0.00 1.75 1.72 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.44 7.81 142 V 8.58 4.76 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.03 0.00 0.00 143 S 8.38 4.84 0.00 3.84 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 0.00 144 V 9.09 3.98 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 0.89 0.00 0.00 1.05 0.00 0.00 145 V 7.66 4.14 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 0.89 0.00 0.00 0.92 0.00 0.00 *146 A 8.30 4.12 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 * Residues marked with a * may have inaccurate shift predictions.