NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3222 8.2644 123.5823 52.0046 19.8638 176.5897 3 R 3.9484 8.7083 124.2208 58.6587 31.6337 176.2363 4 R 3.9463 9.0811 116.7178 57.7082 29.8945 178.6079 5 R 4.2222 8.7763 125.2240 56.9121 31.8518 176.3367 6 R 4.3309 8.3791 117.1402 56.2471 30.2059 176.5557 7 A 3.6198 8.0731 119.6072 51.6399 17.8223 176.8561 8 E 4.4976 8.2015 116.1500 54.4389 32.6171 176.2754 9 V 3.6005 8.4208 123.5524 62.3810 30.8492 175.2775 10 R 3.9401 8.3141 127.7037 56.3984 30.3896 174.8621 11 Q 4.5803 8.3456 120.2821 53.9886 31.3043 174.1585 12 L 4.5747 8.2915 124.9070 52.6869 43.3269 176.0679 13 Q 4.0133 8.5854 124.9656 55.2632 29.4316 174.0628 14 P 4.3278 0.0000 0.0000 62.4647 32.2266 175.5274 15 D 4.4777 8.4696 119.2994 54.9408 41.5736 177.2007 16 L 4.2990 8.4203 122.7624 55.8763 42.5442 177.9483 17 V 3.9887 7.7946 117.2521 64.6923 32.2001 176.4181 18 Y 4.1752 8.4289 115.2374 57.8866 38.5938 175.5880 19 G 4.3330 8.2248 106.6421 46.7383 0.0000 173.4986 20 D 4.8453 7.7445 116.5470 51.3823 45.4853 174.9976 21 V 4.1570 8.3369 121.1970 64.0234 31.5185 178.1857 22 L 4.0957 8.2516 119.3414 59.2049 41.9870 178.4492 23 V 3.4418 8.0036 118.3887 64.1026 31.3197 177.6762 24 T 3.7120 7.9501 108.3648 65.0146 68.9666 175.6129 25 A 3.9948 8.5935 124.5522 54.9325 18.2421 179.5002 26 F 4.3217 8.7877 119.0211 61.5796 39.4319 177.3787 27 I 3.6433 7.8797 117.3868 63.5767 37.0685 177.4342 28 N 4.5169 8.0150 117.6053 55.7675 38.7550 177.4389 29 K 4.1284 7.6132 117.8174 59.4466 32.0923 179.1184 30 I 3.6193 7.4701 119.8941 63.2705 37.4485 176.6704 31 M 3.9917 7.6064 118.8394 55.7100 32.5139 176.0890 32 R 4.2304 8.2296 125.2431 58.8057 31.3853 173.5463 33 D 4.7709 8.8119 124.8493 54.0362 38.1934 177.6034 34 G 3.9903 8.1479 107.7563 46.0474 0.0000 175.3900 35 K 4.1980 7.3399 118.2508 55.6536 31.1993 177.4951 36 K 3.9812 8.2682 125.4235 59.3100 32.3881 177.8351 37 N 4.4708 8.0176 111.6809 54.5860 38.7251 175.4130 38 L 4.4134 7.6289 122.6280 56.7662 43.2970 177.9013 39 A 4.0568 7.4823 119.6178 54.4369 18.4175 179.3749 40 A 3.7207 9.4906 119.4673 56.0483 18.5181 179.4176 41 R 4.0051 8.3552 115.9899 59.0270 29.8800 179.4484 42 I 3.6129 8.0100 118.7166 65.0567 37.3076 177.2213 43 F 3.9969 8.3569 121.6452 61.0805 38.9697 176.2888 44 Y 4.8762 8.2880 115.2510 62.0035 38.0994 178.8199 45 D 4.6658 9.0193 119.4219 57.6731 40.7859 179.3462 46 A 4.0361 8.4254 121.5371 55.1620 18.4347 179.3957 47 C 4.1792 8.6553 115.4476 62.4138 27.9751 175.4964 48 K 4.4567 7.5539 117.3753 57.1613 32.1608 177.7213 49 I 4.3942 7.9308 120.8583 62.2378 38.7079 177.7522 50 I 3.8611 7.7181 119.3815 63.8342 36.9900 177.8765 51 Q 4.3261 7.6801 118.3148 58.2241 29.2072 177.2281 52 E 3.9604 8.5857 119.7596 57.1898 29.2007 177.8120 53 K 3.7448 5.8111 122.4021 58.3837 33.6186 176.6908 54 T 3.9824 8.2663 109.1956 61.1836 70.2247 173.7228 55 G 3.9413 8.7318 119.3892 45.7222 0.0000 171.1614 56 Q 4.5185 8.3219 121.8618 54.0477 33.2411 174.6669 57 E 4.1324 8.8777 120.3473 55.8515 29.7984 175.4882 58 P 4.1694 0.0000 0.0000 65.7593 30.8266 177.8312 59 L 3.8976 8.4213 118.4461 57.8399 41.6383 178.4796 60 K 4.2039 9.2029 119.4962 58.4938 32.9386 178.3951 61 V 3.5660 7.9131 117.8222 65.8725 31.1059 177.0166 62 F 4.0659 8.2536 120.6180 60.4393 38.2820 177.0894 63 K 3.7919 8.0476 118.4365 59.0515 31.9252 177.9415 64 Q 4.2895 8.2506 118.9956 58.1594 29.5106 177.1605 65 A 3.8800 7.5340 120.4716 55.1380 18.6246 179.4124 66 V 3.3322 7.6455 116.8466 65.8479 31.3529 177.6791 67 E 3.7961 7.3048 118.8101 59.7189 29.6130 178.8292 68 N 4.4732 7.9231 115.0199 55.4735 40.1470 176.9589 69 V 4.4201 7.6619 121.3525 61.3995 28.9040 176.9855 70 K 4.3215 7.3966 117.8489 53.3612 33.7247 174.2663 71 P 4.3209 0.0000 0.0000 63.0266 31.0516 176.8537 72 R 4.0447 9.0747 124.2033 57.4862 30.0965 176.2589 73 M 4.3297 7.6738 113.2066 55.7293 34.3159 173.8178 74 E 4.5036 8.0776 123.1515 54.8743 31.9548 175.5739 75 V 5.4929 7.7646 111.6006 58.1824 32.4619 175.9983 76 R 4.2802 8.5815 124.4761 56.3722 31.0876 175.4685 77 S 4.7817 8.4758 114.3052 57.9148 64.1336 173.1915 78 R 4.2603 7.9661 120.9047 55.5417 33.1249 172.8314 79 R 4.7228 8.3401 125.8540 54.6977 31.8216 175.7848 80 V 3.3772 8.1532 125.6299 64.9466 31.7651 175.6540 81 G 3.3939 7.0852 111.6230 44.8417 0.0000 173.0017 82 G 3.9093 7.2929 108.2509 45.9391 0.0000 172.8826 83 A 4.2207 7.0493 121.4363 51.5444 21.8904 174.0786 84 N 4.7418 8.4799 116.6427 52.5479 39.4621 175.3045 85 Y 4.9456 8.1907 123.0711 55.8813 38.4005 174.8062 86 Q 4.1986 8.8876 121.9604 56.2359 29.2812 176.3524 87 V 4.1801 8.6087 125.0188 62.0240 33.2902 172.6305 88 P 5.4065 0.0000 0.0000 61.7126 32.6824 174.4830 89 M 4.7707 8.7587 120.2753 53.9372 34.4407 173.5422 90 E 4.3979 8.3752 118.2977 55.8293 31.0204 176.5145 91 V 4.1883 7.9319 119.2047 60.5690 33.0287 175.3148 92 S 4.2124 8.6533 123.2090 57.9444 64.3027 173.1828 93 P 4.1842 0.0000 0.0000 67.1963 31.0846 177.9821 94 R 3.4436 8.3264 114.0522 59.6203 29.8067 178.0509 95 R 3.7825 7.7479 118.2698 60.2209 30.4989 178.5736 96 Q 4.1281 8.1700 118.9286 58.7942 28.9169 177.9945 97 Q 4.0475 8.4121 120.0141 57.9693 29.8299 177.5047 98 S 4.0626 7.6898 115.6609 61.5948 62.8129 176.2523 99 L 3.1784 8.1772 121.6464 58.0244 41.3699 178.7593 100 A 3.9414 7.2758 118.4544 54.8487 18.0366 179.5149 101 L 3.8350 7.8730 114.5463 57.8317 42.2650 179.3823 102 R 3.8815 7.8854 117.9413 59.7144 29.6269 177.9899 103 W 4.6687 8.3222 118.2660 60.2833 29.1993 178.2743 104 L 4.4525 8.0183 118.0595 58.0747 41.0544 179.5709 105 V 3.6667 7.9359 117.7462 66.3017 31.4103 178.1906 106 Q 4.0956 8.3953 117.3029 59.1516 28.4400 178.7910 107 A 3.6927 8.9583 121.0574 54.8738 18.3974 179.4443 108 A 4.3572 8.2799 120.3955 54.9432 18.6941 179.1257 109 N 4.4755 8.6156 114.3925 56.1338 40.0865 177.3403 110 Q 4.4361 8.4438 120.4951 53.9050 25.6316 174.5128 111 R 4.6733 7.0047 121.2001 54.3387 34.0500 172.1604 112 P 4.7387 0.0000 0.0000 62.6609 31.5996 176.5988 113 E 4.4308 7.7568 119.0381 56.3868 31.1981 175.6589 114 R 4.4185 8.4841 114.3544 56.8091 33.1743 175.4184 115 R 4.4464 7.7347 116.7015 54.0519 30.9527 176.2693 116 A 3.9122 8.7640 127.1335 55.4707 18.7763 179.2589 117 A 4.2493 8.0388 118.5833 54.9282 18.4205 179.9172 118 V 3.4953 7.6717 110.5497 64.6459 31.6285 178.7216 119 R 4.0190 7.9844 117.1933 59.6338 29.6775 178.7190 120 I 3.7307 7.1842 116.4764 64.3526 37.2022 177.9237 121 A 4.1229 7.3324 120.1271 56.3568 18.5246 178.7079 122 H 4.0565 9.3181 115.3398 58.7742 28.6564 177.6105 123 E 3.8812 9.2941 122.3596 58.8879 29.6944 177.8640 124 L 4.1572 7.6277 118.3463 55.3927 43.2758 177.4881 *126 D 4.6100 8.1677 120.2989 54.3033 42.9832 178.0388 127 A 4.0825 7.6194 120.2230 54.6804 18.6866 179.1893 128 A 4.0306 8.0413 118.2824 55.4674 18.4704 178.4005 129 E 4.0046 7.9719 115.0488 57.9100 30.2481 177.0382 130 G 4.3230 9.0679 107.6698 45.0833 0.0000 174.6183 131 K 4.3145 7.6478 111.2686 57.4183 33.6585 175.7683 132 G 3.9230 7.8918 110.3492 44.4964 0.0000 174.8894 133 G 3.4605 8.8060 106.9301 49.1103 0.0000 176.3074 134 A 3.7831 8.7032 122.9784 54.2340 19.0808 179.6393 135 V 3.3979 8.0640 114.1011 67.5213 31.3762 180.7809 136 K 4.1596 8.6121 114.8624 56.3445 34.0941 177.0219 137 K 3.4551 7.5325 115.9220 59.5779 32.0599 179.0722 138 K 3.5436 8.1244 119.8102 59.4157 31.8220 177.6734 139 E 4.3815 7.7388 117.1464 58.0490 30.3437 177.4012 140 D 4.2304 9.0844 117.0615 57.4950 41.5931 178.2578 141 V 3.7668 8.4953 119.5940 65.5513 31.3824 177.4578 142 E 4.3984 7.5754 120.1908 58.0761 29.2343 178.7106 143 R 4.0537 8.0155 117.5106 58.9876 30.2996 178.3212 144 M 4.1618 7.7607 118.2910 57.4708 32.1707 176.9037 145 A 4.3161 6.8510 121.3626 52.9681 19.1843 178.3142 146 E 3.8729 8.7998 119.2956 56.4662 29.9465 175.0744 147 A 4.4325 7.9696 119.7367 53.4612 20.5821 177.1842 148 N 4.6126 8.5904 114.5682 53.7100 39.2353 176.3215 149 R 3.9721 7.8460 116.2824 57.1167 29.9977 176.6360 150 A 3.8975 6.7214 120.1614 56.3897 18.6897 179.9293 151 Y 4.2719 6.8533 113.0815 57.3723 37.6874 178.1440 152 A 4.2263 9.1746 127.2720 55.5665 18.6536 181.0296 153 H 4.8655 8.2220 110.3581 56.3390 27.8658 175.2092 154 Y 5.0314 8.8544 115.7527 59.1205 39.1981 178.0522 155 R 3.8867 8.9525 121.6476 59.1398 30.3886 176.3546 156 W 4.2502 7.7198 118.0177 56.8608 30.2274 174.1854 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 A 8.26 4.32 1.27 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 0.00 0.00 3 R 8.71 3.95 0.00 1.87 1.97 0.00 3.25 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 4 R 9.08 3.95 0.00 1.84 1.71 0.00 3.26 0.00 0.00 3.22 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 5 R 8.78 4.22 0.00 1.77 1.91 0.00 3.22 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 6 R 8.38 4.33 0.00 1.73 1.87 0.00 3.37 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 7 A 8.07 3.62 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 8 E 8.20 4.50 0.00 1.90 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 9 V 8.42 3.60 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 0.75 0.00 0.00 0.91 0.00 0.00 10 R 8.31 3.94 0.00 1.80 1.87 0.00 3.22 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 11 Q 8.35 4.58 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.49 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 12 L 8.29 4.57 0.00 1.67 1.57 0.93 0.94 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 13 Q 8.59 4.01 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 14 P 0.00 4.33 0.00 2.08 2.16 0.00 3.75 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 2.04 2.11 0.00 15 D 8.47 4.48 0.00 2.93 2.66 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 0.00 0.00 0.00 0.00 16 L 8.42 4.30 0.00 1.72 1.72 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.79 3.99 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 0.51 0.00 0.00 0.65 0.00 0.00 18 Y 8.43 4.18 0.00 3.07 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 19 G 8.22 4.33 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 0.00 20 D 7.74 4.85 0.00 2.72 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 21 V 8.34 4.16 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 0.69 0.00 0.00 0.96 0.00 0.00 22 L 8.25 4.10 0.00 1.69 2.09 1.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.00 3.44 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 0.44 0.00 0.00 0.75 0.00 0.00 24 T 7.95 3.71 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 1.21 0.00 0.00 25 A 8.59 3.99 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 26 F 8.79 4.32 0.00 3.51 3.66 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 0.00 0.00 0.00 0.00 27 I 7.88 3.64 1.86 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.69 0.69 0.00 0.00 28 N 8.02 4.52 0.00 2.94 2.81 0.00 0.00 6.81 7.30 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 29 K 7.61 4.13 0.00 1.76 1.85 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.73 1.68 7.81 30 I 7.47 3.62 1.87 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.28 0.83 0.00 0.00 31 M 7.61 3.99 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.45 0.00 32 R 8.23 4.23 0.00 1.72 1.76 0.00 3.24 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 33 D 8.81 4.77 0.00 2.78 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 34 G 8.15 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 35 K 7.34 4.20 0.00 1.86 1.79 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.59 7.81 36 K 8.27 3.98 0.00 1.79 1.77 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.48 7.81 37 N 8.02 4.47 0.00 2.72 2.86 0.00 0.00 6.71 7.85 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 38 L 7.63 4.41 0.00 1.73 1.79 0.92 1.30 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 39 A 7.48 4.06 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 40 A 9.49 3.72 1.37 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 0.00 0.00 41 R 8.36 4.01 0.00 1.90 2.16 0.00 3.29 0.00 0.00 3.37 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.89 0.00 42 I 8.01 3.61 2.03 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 1.41 1.34 0.90 0.00 0.00 43 F 8.36 4.00 0.00 3.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 8.29 4.88 0.00 3.32 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 9.02 4.67 0.00 2.87 2.82 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 46 A 8.43 4.04 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 47 C 8.66 4.18 0.00 3.38 3.23 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 48 K 7.55 4.46 0.00 2.09 1.89 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.78 7.81 49 I 7.93 4.39 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.46 0.96 0.00 0.00 50 I 7.72 3.86 2.02 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 1.88 0.74 0.96 0.00 0.00 51 Q 7.68 4.33 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.02 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 52 E 8.59 3.96 0.00 2.19 1.74 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 2.40 2.37 0.00 53 K 5.81 3.74 0.00 1.95 1.91 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.46 7.81 54 T 8.27 3.98 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 1.32 0.00 0.00 55 G 8.73 3.94 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 0.00 0.00 0.00 56 Q 8.32 4.52 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 57 E 8.88 4.13 0.00 2.26 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 2.41 2.41 0.00 58 P 0.00 4.17 0.00 2.38 2.26 0.00 3.84 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 59 L 8.42 3.90 0.00 2.21 2.08 1.15 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.20 4.20 0.00 2.00 1.82 0.00 1.66 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.50 7.81 61 V 7.91 3.57 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 0.98 0.00 0.00 0.96 0.00 0.00 62 F 8.25 4.07 0.00 3.21 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 63 K 8.05 3.79 0.00 2.16 2.02 0.00 1.59 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.54 7.81 64 Q 8.25 4.29 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 65 A 7.53 3.88 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 66 V 7.65 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 0.80 0.00 0.00 0.06 0.00 0.00 67 E 7.30 3.80 0.00 2.22 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 0.00 2.32 2.42 0.00 68 N 7.92 4.47 0.00 2.79 2.85 0.00 0.00 7.00 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.66 4.42 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 1.02 0.00 0.00 70 K 7.40 4.32 0.00 1.92 1.85 0.00 2.05 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.58 7.81 71 P 0.00 4.32 0.00 2.36 2.44 0.00 3.78 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.29 0.00 72 R 9.07 4.04 0.00 1.79 2.30 0.00 3.30 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 73 M 7.67 4.33 0.00 2.08 1.95 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 2.54 2.58 0.00 74 E 8.08 4.50 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 75 V 7.76 5.49 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 0.87 0.00 0.00 0.98 0.00 0.00 76 R 8.58 4.28 0.00 2.01 2.15 0.00 3.14 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 77 S 8.48 4.78 0.00 3.96 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 78 R 7.97 4.26 0.00 1.70 1.69 0.00 2.69 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.42 0.00 79 R 8.34 4.72 0.00 1.71 1.60 0.00 3.37 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.65 0.00 80 V 8.15 3.38 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 0.47 0.00 0.00 0.69 0.00 0.00 81 G 7.09 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.29 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 83 A 7.05 4.22 0.93 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 0.00 0.00 84 N 8.48 4.74 0.00 2.67 2.83 0.00 0.00 6.71 7.46 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 85 Y 8.19 4.95 0.00 2.83 2.81 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 86 Q 8.89 4.20 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.99 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 87 V 8.61 4.18 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 1.29 0.00 0.00 1.23 0.00 0.00 88 P 0.00 5.41 0.00 2.14 2.06 0.00 4.03 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 1.98 2.09 0.00 89 M 8.76 4.77 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.61 0.00 90 E 8.38 4.40 0.00 1.98 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 2.33 2.31 0.00 91 V 7.93 4.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.99 0.00 0.00 92 S 8.65 4.21 0.00 4.05 3.98 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 93 P 0.00 4.18 0.00 2.22 2.23 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 94 R 8.33 3.44 0.00 1.83 1.87 0.00 3.13 0.00 0.00 3.24 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 95 R 7.75 3.78 0.00 1.82 1.90 0.00 3.09 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 96 Q 8.17 4.13 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.39 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 97 Q 8.41 4.05 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 98 S 7.69 4.06 0.00 3.86 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 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3.69 1.47 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 0.00 0.00 108 A 8.28 4.36 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 0.00 0.00 109 N 8.62 4.48 0.00 2.88 2.92 0.00 0.00 7.19 5.18 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 0.00 110 Q 8.44 4.44 0.00 2.30 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 111 R 7.00 4.67 0.00 2.04 1.76 0.00 3.56 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 112 P 0.00 4.74 0.00 2.22 2.12 0.00 3.83 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 1.95 1.98 0.00 113 E 7.76 4.43 0.00 1.98 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 2.34 2.28 0.00 114 R 8.48 4.42 0.00 1.74 1.91 0.00 3.33 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 115 R 7.73 4.45 0.00 1.83 1.84 0.00 3.18 0.00 0.00 3.35 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 116 A 8.76 3.91 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 0.00 117 A 8.04 4.25 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 0.00 118 V 7.67 3.50 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.95 0.00 0.00 119 R 7.98 4.02 0.00 1.84 2.16 0.00 3.35 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.93 0.00 120 I 7.18 3.73 2.00 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 1.70 0.73 1.04 0.00 0.00 121 A 7.33 4.12 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 H 9.32 4.06 0.00 3.27 3.26 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 9.29 3.88 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 133 G 8.81 3.46 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 0.00 134 A 8.70 3.78 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.06 3.40 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 0.99 0.00 0.00 136 K 8.61 4.16 0.00 2.09 1.59 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.59 7.81 137 K 7.53 3.46 0.00 0.79 0.74 0.00 1.25 0.00 0.00 0.61 0.00 0.00 2.35 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.98 0.88 7.81 138 K 8.12 3.54 0.00 1.91 2.02 0.00 1.66 0.00 0.00 1.80 0.00 0.00 3.18 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.61 1.90 7.81 139 E 7.74 4.38 0.00 2.15 1.92 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 2.31 2.33 0.00 140 D 9.08 4.23 0.00 2.61 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 V 8.50 3.77 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 1.04 0.00 0.00 0.81 0.00 0.00 142 E 7.58 4.40 0.00 2.41 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 2.32 2.23 0.00 143 R 8.02 4.05 0.00 2.03 1.94 0.00 3.19 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 144 M 7.76 4.16 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.93 0.00 145 A 6.85 4.32 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 0.00 146 E 8.80 3.87 0.00 2.11 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 2.16 2.23 0.00 147 A 7.97 4.43 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 0.00 148 N 8.59 4.61 0.00 2.67 2.74 0.00 0.00 6.90 6.28 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 0.00 149 R 7.85 3.97 0.00 1.79 1.86 0.00 3.46 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 150 A 6.72 3.90 0.89 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 0.00 151 Y 6.85 4.27 0.00 2.82 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 0.00 152 A 9.17 4.23 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 0.00 153 H 8.22 4.87 0.00 3.40 3.43 0.00 5.47 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 8.85 5.03 0.00 3.11 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 0.00 155 R 8.95 3.89 0.00 1.93 2.14 0.00 3.35 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.07 0.00 156 W 7.72 4.25 0.00 3.53 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 * Residues marked with a * may have inaccurate shift predictions.