NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.4275 8.3193 115.4116 58.7466 64.2598 173.0199 10 D 4.6126 8.4687 117.3262 52.4161 39.3540 174.1308 11 M 4.3254 8.5053 120.4255 54.0526 34.4800 175.1339 12 P 4.6398 0.0000 0.0000 63.5211 32.8175 175.5010 13 V 4.9957 8.2073 121.1356 60.7548 34.7831 172.4613 14 A 4.9480 9.1403 124.8694 50.8492 23.0330 174.7708 15 H 4.9074 9.4352 121.7049 54.7245 31.9817 172.3495 16 V 4.7854 8.5073 118.7472 59.6851 34.4545 175.2361 17 V 5.4260 8.7471 115.1993 59.3526 36.1007 174.6169 18 A 4.0873 8.3577 124.2609 51.4693 19.2642 177.2042 19 N 4.2723 8.4447 121.5340 52.7421 39.0217 174.1699 20 P 4.0619 0.0000 0.0000 64.7200 31.6577 177.4762 21 Q 4.3416 8.2894 115.5103 55.8518 29.3316 175.8097 22 A 4.7096 7.5850 123.1308 50.3439 19.0557 177.0418 23 E 4.0063 8.0700 118.7030 59.0305 29.9855 177.9616 24 G 3.9573 10.5059 110.2012 45.2726 0.0000 172.2515 25 Q 4.4175 7.5429 115.8435 54.9582 31.6660 173.9386 26 L 4.1321 8.1745 119.8860 53.1988 42.5256 174.8779 27 Q 4.5047 7.7262 127.9070 53.6111 31.0770 174.4710 28 W 5.1291 8.7241 127.5346 56.8767 29.8747 176.0243 29 L 5.1023 9.5888 123.3403 53.1112 44.8237 176.9539 30 N 4.7688 8.7918 116.2826 53.3559 39.8103 175.5723 31 R 4.3329 7.8497 118.9077 55.7210 28.8205 175.1019 32 R 4.6967 7.2469 115.2763 53.8285 34.8459 175.5682 33 A 4.0765 8.4443 122.5800 53.4331 18.7829 177.3113 34 N 4.2328 8.9400 119.0592 54.4380 35.9567 173.8157 35 A 5.1336 7.9365 117.0457 50.2526 22.8147 176.3465 36 L 4.7504 8.6899 118.2596 53.2571 46.3699 176.3110 37 L 4.6890 8.4911 124.2705 54.7904 43.4349 173.3634 38 A 4.5360 8.9548 127.3460 50.3845 23.7272 174.9589 39 N 4.1200 9.8241 112.7374 55.2287 35.9697 175.4800 40 G 4.0935 8.5988 107.8055 45.7215 0.0000 175.3811 41 V 3.8563 7.3703 120.4976 63.1710 31.8975 175.5567 42 E 4.6869 8.7445 126.9097 54.6516 32.5519 175.0995 43 L 5.1407 8.4560 123.6948 53.5333 43.8947 175.5596 44 R 4.6112 8.6175 125.1240 55.6413 33.6032 175.8544 45 D 4.3431 9.7188 120.5516 55.6057 38.4647 173.9610 46 N 4.4162 8.3699 112.5886 54.1640 38.3397 172.8087 47 Q 5.0297 8.0219 115.7225 54.5230 32.2637 174.6697 48 L 4.6552 8.9826 122.2938 54.3300 43.6248 176.1558 49 V 4.6496 8.7777 123.7710 60.7672 33.7271 174.9765 50 V 3.7272 8.2705 129.3350 62.8204 31.8140 175.3560 51 P 4.4427 0.0000 0.0000 64.8556 31.8787 176.3987 52 S 4.6871 7.4867 109.6059 56.5039 65.8781 173.7245 53 E 4.7589 8.2465 122.1394 55.2587 30.0772 176.7134 54 G 4.1011 8.1142 111.9354 44.7957 0.0000 170.6160 55 L 4.8748 7.7280 119.6181 54.1088 42.9988 175.8776 56 Y 5.0468 9.7196 122.6438 56.0315 41.1926 174.5861 57 L 4.8583 8.8089 125.6320 54.3875 43.7681 175.2022 58 I 5.1605 8.9491 127.3909 59.7561 40.1228 174.3383 59 Y 5.4277 8.5443 124.0060 56.2034 42.0975 173.6438 60 S 4.9619 8.6224 112.4472 57.8259 66.7688 173.6712 61 Q 5.4726 8.2586 125.0958 53.9106 32.6908 173.9651 62 V 4.7120 8.3342 118.0288 59.2880 36.1073 173.9769 63 L 5.1460 8.0863 123.8917 53.4481 44.9176 174.9078 64 F 5.6847 9.4032 125.6448 56.1461 41.5489 175.0788 65 S 4.7206 8.4065 116.6000 56.4358 65.9645 173.5319 66 G 3.4381 5.3800 108.4278 44.1823 0.0000 173.3435 67 Q 3.8085 8.5860 122.0188 58.1823 29.4448 175.7159 68 G 4.3212 7.6741 102.6925 44.5299 0.0000 171.3430 69 C 4.8919 8.6407 116.8560 54.3389 39.9189 172.4416 70 P 4.5491 0.0000 0.0000 62.1249 31.5263 177.5336 71 S 4.3341 8.5807 113.2448 59.8838 63.0206 174.0638 72 T 4.3753 7.1396 111.6662 59.3999 70.3120 173.4545 73 H 3.9722 8.4576 120.4642 56.0570 28.3138 174.7056 74 V 3.8740 7.9932 125.0052 62.1109 32.1959 175.0312 75 L 4.8096 8.2907 126.6735 52.7637 45.0562 175.6389 76 L 4.5461 8.9019 123.3434 52.9249 44.2677 175.4327 77 T 5.0634 9.6193 114.9301 60.0333 71.8233 172.6482 78 H 5.3729 9.2067 123.9646 54.8534 33.2939 172.2213 79 T 4.9220 8.7595 121.4599 62.0683 73.0281 172.7969 80 I 4.4851 8.2954 128.1124 60.1531 38.6003 175.1504 81 S 5.1058 8.9673 122.1418 56.3308 66.5308 172.8340 82 R 4.8983 8.8830 121.3805 54.7976 33.0574 174.6567 83 I 4.8162 8.7202 127.5908 59.3193 38.1931 174.8822 84 A 5.1867 8.2215 129.0252 51.0654 19.2286 179.0784 85 V 3.6597 8.5735 120.7170 65.7046 31.7816 177.2732 86 S 4.4849 7.9993 111.6863 59.1427 63.4327 174.1501 87 Y 4.5992 7.2287 118.4235 57.6060 40.6240 173.6321 88 Q 4.6398 7.9340 125.8295 53.9525 26.5211 174.6925 89 T 4.6381 7.4868 109.2003 59.4069 72.2058 172.9243 90 P 4.5063 0.0000 0.0000 63.3292 32.1706 175.8857 91 V 4.4433 8.7884 124.0179 60.8073 34.7751 174.2050 92 N 4.6308 8.8836 125.6375 53.9049 38.4260 174.5728 93 L 4.2324 8.4819 124.6246 56.4906 42.6076 177.2346 94 L 4.9678 7.3064 117.4025 53.1973 45.7577 175.2786 95 S 5.0634 8.5072 114.1032 57.8255 65.3897 173.3585 96 A 4.8502 8.8357 125.7737 51.0123 23.0991 174.9310 97 I 5.1458 8.1117 118.1693 59.9995 41.5372 174.9169 98 R 4.7070 9.1402 124.1744 54.9370 34.2452 174.2908 99 S 4.7604 8.2964 117.2070 56.2242 63.9941 171.7427 100 P 4.1598 0.0000 0.0000 63.7522 31.9055 177.0616 101 C 4.7163 7.4973 116.6022 55.1945 42.4221 173.8766 102 Q 4.1138 8.3615 121.3392 56.9914 31.9659 174.4013 *111 A 4.1993 7.6104 119.0905 52.8200 18.7642 175.0584 112 N 4.5771 8.0951 117.6834 52.1591 39.7322 173.7111 113 P 4.8985 0.0000 0.0000 61.4311 32.6064 175.6045 114 W 5.2630 7.9338 118.9841 54.9874 31.7328 173.6919 115 Y 5.3336 8.9969 118.2324 56.4938 41.1720 174.7472 116 E 4.7945 10.0559 123.0265 54.2303 32.8807 173.4541 117 P 5.2109 0.0000 0.0000 62.2671 33.1439 176.2875 118 I 4.7229 8.5836 122.4765 60.2246 41.4058 173.3217 119 Y 5.2359 8.9300 128.2085 55.7821 41.1135 174.6499 120 L 4.8696 8.0155 125.5638 53.0654 45.8697 175.7845 121 G 4.9766 8.4514 106.6772 45.7514 0.0000 172.6531 122 G 4.2094 8.3795 108.6520 45.4062 0.0000 172.2144 123 V 4.7741 8.2459 121.3748 62.1605 32.3144 175.2935 124 F 4.9687 9.5691 126.1599 55.6808 43.5036 173.5754 125 Q 4.9227 8.9150 123.1179 55.4576 29.9397 174.8148 126 L 5.0252 9.1930 126.1487 53.1094 45.5532 175.1272 127 E 5.0208 10.7092 118.8921 53.6681 33.7732 174.1398 128 P 4.4674 0.0000 0.0000 64.5057 31.6744 176.5456 129 G 4.0745 8.6397 111.6299 45.1857 0.0000 173.7085 130 D 4.5972 8.2041 120.4646 55.0162 42.0587 175.6975 131 R 5.1033 8.6059 121.5228 54.4602 32.8347 175.0302 132 L 5.3248 8.9996 124.0024 52.9001 44.8055 175.7008 133 S 4.9954 8.9217 117.2925 56.4340 66.7444 172.9445 134 A 4.7437 8.5083 124.2078 50.5850 20.1155 175.3692 135 E 4.9094 9.0966 121.4721 55.5522 33.0494 175.3405 136 I 5.5547 8.2331 112.9126 58.7282 40.1978 175.0941 137 N 4.4971 8.5294 122.1253 55.1668 38.3844 175.5040 138 R 4.6963 7.9711 118.3576 53.2440 30.8254 173.7817 139 P 4.3872 0.0000 0.0000 65.1059 31.8752 178.0641 140 D 4.4700 8.1330 115.3091 54.9284 39.5333 175.9011 141 Y 4.6783 7.9198 116.9369 57.8756 39.3447 175.6470 142 L 4.2494 7.8711 120.1091 54.5909 42.5584 175.9058 143 D 4.6039 8.2011 121.6921 52.4082 42.9739 175.6914 144 F 5.1069 8.4606 122.2233 57.0326 39.6872 176.0751 145 A 3.8111 8.0137 122.9518 55.0042 18.4859 178.7929 146 E 4.6333 8.6751 114.3783 54.0906 31.9962 176.2221 147 S 4.4446 8.3712 114.9594 59.0151 64.0272 174.1497 148 G 4.0732 8.8344 107.1264 46.6297 0.0000 174.3685 149 Q 4.5321 8.3847 119.5655 56.1326 30.2211 175.9783 150 V 4.8449 7.8423 117.7338 61.2710 34.4951 174.1377 151 Y 5.5180 8.6752 124.8706 56.4751 42.1829 173.5677 152 F 5.0450 8.9260 122.1387 57.0521 42.9041 173.1981 153 G 3.9448 8.3793 112.4732 44.8466 0.0000 171.4098 154 I 5.7878 8.2522 113.4690 58.6207 41.9643 174.1500 155 I 4.9220 8.2945 122.4090 59.6774 41.2602 173.5242 156 A 3.6110 8.3514 132.1762 52.1227 18.7661 177.2066 157 L 4.2459 8.7256 122.1669 54.7328 41.5522 176.6571 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 9 S 8.32 4.43 0.00 3.98 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 10 D 8.47 4.61 0.00 2.87 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 11 M 8.51 4.33 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.72 0.00 12 P 0.00 4.64 0.00 2.29 2.11 0.00 3.62 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 13 V 8.21 5.00 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 0.70 0.00 0.00 1.00 0.00 0.00 14 A 9.14 4.95 0.99 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 15 H 9.44 4.91 0.00 3.24 3.16 0.00 5.76 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.51 4.79 2.30 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 0.55 0.00 0.00 0.61 0.00 0.00 17 V 8.75 5.43 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.06 0.00 0.00 18 A 8.36 4.09 0.74 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 19 N 8.44 4.27 0.00 2.75 2.53 0.00 0.00 6.94 7.06 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 20 P 0.00 4.06 0.00 2.08 2.14 0.00 3.62 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 1.99 2.02 0.00 21 Q 8.29 4.34 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.42 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 22 A 7.58 4.71 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 23 E 8.07 4.01 0.00 2.09 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 0.00 2.32 2.35 0.00 24 G 10.51 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 7.54 4.42 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 26 L 8.17 4.13 0.00 1.40 1.37 -0.21 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.73 4.50 0.00 2.01 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 28 W 8.72 5.13 0.00 3.28 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 9.59 5.10 0.00 1.54 1.53 0.89 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.79 4.77 0.00 2.78 2.89 0.00 0.00 6.12 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.85 4.33 0.00 1.83 1.96 0.00 3.32 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 32 R 7.25 4.70 0.00 1.77 1.80 0.00 3.38 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 33 A 8.44 4.08 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 34 N 8.94 4.23 0.00 2.91 2.93 0.00 0.00 6.77 7.35 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 35 A 7.94 5.13 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 36 L 8.69 4.75 0.00 1.66 1.51 0.93 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.49 4.69 0.00 1.56 1.53 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.95 4.54 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 39 N 9.82 4.12 0.00 2.97 2.92 0.00 0.00 7.08 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.60 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.37 3.86 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 0.67 0.00 0.00 1.03 0.00 0.00 42 E 8.74 4.69 0.00 1.92 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 2.41 2.36 0.00 43 L 8.46 5.14 0.00 1.57 1.56 1.05 0.93 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 44 R 8.62 4.61 0.00 1.89 1.76 0.00 3.33 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 45 D 9.72 4.34 0.00 2.77 2.70 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 46 N 8.37 4.42 0.00 2.89 3.02 0.00 0.00 7.12 7.08 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 47 Q 8.02 5.03 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 48 L 8.98 4.66 0.00 1.44 1.39 -0.12 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.78 4.65 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 0.91 0.00 0.00 0.92 0.00 0.00 50 V 8.27 3.73 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 0.68 0.00 0.00 0.49 0.00 0.00 51 P 0.00 4.44 0.00 2.14 2.04 0.00 3.89 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 52 S 7.49 4.69 0.00 4.05 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 53 E 8.25 4.76 0.00 2.00 1.94 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 2.34 2.40 0.00 54 G 8.11 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 55 L 7.73 4.87 0.00 1.58 1.62 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 9.72 5.05 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 57 L 8.81 4.86 0.00 1.89 1.69 1.18 0.89 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 58 I 8.95 5.16 2.08 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 1.37 0.93 0.99 0.00 0.00 59 Y 8.54 5.43 0.00 3.02 3.14 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 60 S 8.62 4.96 0.00 3.72 3.56 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 61 Q 8.26 5.47 0.00 2.12 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.46 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 62 V 8.33 4.71 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.73 0.00 0.00 63 L 8.09 5.15 0.00 1.77 1.49 1.15 1.02 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 64 F 9.40 5.68 0.00 3.23 3.22 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 65 S 8.41 4.72 0.00 2.72 3.36 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 66 G 5.38 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.59 3.81 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 68 G 7.67 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 0.00 0.00 0.00 0.00 69 C 8.64 4.89 0.00 2.98 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 70 P 0.00 4.55 0.00 2.21 2.04 0.00 3.65 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 71 S 8.58 4.33 0.00 3.97 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 72 T 7.14 4.38 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 1.16 0.00 0.00 73 H 8.46 3.97 0.00 3.20 3.35 0.00 5.52 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.99 3.87 1.67 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 0.35 0.00 0.00 0.91 0.00 0.00 75 L 8.29 4.81 0.00 1.42 1.40 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.90 4.55 0.00 0.91 0.13 0.33 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.62 5.06 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 1.17 0.00 0.00 78 H 9.21 5.37 0.00 3.41 3.25 0.00 5.73 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.76 4.92 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 1.20 0.00 0.00 80 I 8.30 4.49 1.68 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.24 0.71 0.00 0.00 81 S 8.97 5.11 0.00 3.88 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 82 R 8.88 4.90 0.00 1.66 1.67 0.00 2.95 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.49 0.00 83 I 8.72 4.82 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.03 0.91 0.00 0.00 84 A 8.22 5.19 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 85 V 8.57 3.66 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 0.99 0.00 0.00 86 S 8.00 4.48 0.00 4.09 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 87 Y 7.23 4.60 0.00 2.91 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 88 Q 7.93 4.64 0.00 1.90 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.49 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 89 T 7.49 4.64 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 1.15 0.00 0.00 90 P 0.00 4.51 0.00 1.96 2.05 0.00 3.62 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 91 V 8.79 4.44 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 0.81 0.00 0.00 1.09 0.00 0.00 92 N 8.88 4.63 0.00 2.61 2.72 0.00 0.00 7.09 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 93 L 8.48 4.23 0.00 1.23 0.60 0.32 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.31 4.97 0.00 1.49 1.53 1.10 1.03 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 S 8.51 5.06 0.00 3.80 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 96 A 8.84 4.85 1.26 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 0.00 0.00 0.00 97 I 8.11 5.15 1.84 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 1.21 0.69 0.92 0.00 0.00 98 R 9.14 4.71 0.00 1.81 1.58 0.00 3.04 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.50 0.00 99 S 8.30 4.76 0.00 3.69 3.69 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 0.00 100 P 0.00 4.16 0.00 0.49 1.01 0.00 3.20 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.33 0.00 101 C 7.50 4.72 0.00 2.66 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 0.00 102 Q 8.36 4.11 0.00 1.87 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 *111 A 7.61 4.20 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 0.00 112 N 8.10 4.58 0.00 2.79 2.83 0.00 0.00 7.27 8.02 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 0.00 113 P 0.00 4.90 0.00 2.01 1.82 0.00 3.73 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.91 0.00 114 W 7.93 5.26 0.00 3.41 3.14 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 0.00 115 Y 9.00 5.33 0.00 2.87 2.96 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 0.00 116 E 10.06 4.79 0.00 2.13 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 2.45 2.30 0.00 117 P 0.00 5.21 0.00 2.06 2.09 0.00 3.78 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.24 0.00 118 I 8.58 4.72 2.04 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.12 1.06 0.00 0.00 119 Y 8.93 5.24 0.00 3.04 2.91 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 0.00 120 L 8.02 4.87 0.00 1.42 1.44 0.81 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.45 4.98 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 0.00 0.00 0.00 122 G 8.38 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 0.00 123 V 8.25 4.77 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 0.82 0.00 0.00 0.94 0.00 0.00 124 F 9.57 4.97 0.00 3.03 2.91 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 0.00 125 Q 8.92 4.92 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 126 L 9.19 5.03 0.00 1.47 1.48 0.46 0.85 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 0.00 127 E 10.71 5.02 0.00 1.86 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 2.25 2.43 0.00 128 P 0.00 4.47 0.00 2.05 2.19 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 129 G 8.64 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 0.00 130 D 8.20 4.60 0.00 2.57 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 0.00 131 R 8.61 5.10 0.00 1.78 1.82 0.00 3.13 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 132 L 9.00 5.32 0.00 1.58 1.70 0.80 0.36 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 0.00 133 S 8.92 5.00 0.00 3.90 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 0.00 134 A 8.51 4.74 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 9.10 4.91 0.00 1.91 1.89 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 2.26 2.23 0.00 136 I 8.23 5.55 2.19 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.70 1.02 0.00 0.00 137 N 8.53 4.50 0.00 2.89 3.01 0.00 0.00 6.71 7.54 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 0.00 138 R 7.97 4.70 0.00 1.98 2.37 0.00 3.38 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 139 P 0.00 4.39 0.00 2.35 2.11 0.00 3.65 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 140 D 8.13 4.47 0.00 2.59 2.70 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 0.00 141 Y 7.92 4.68 0.00 3.50 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.87 4.25 0.00 1.42 0.73 0.99 0.48 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 0.00 143 D 8.20 4.60 0.00 2.59 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 0.00 144 F 8.46 5.11 0.00 3.03 2.88 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 0.00 0.00 0.00 0.00 145 A 8.01 3.81 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 0.00 146 E 8.68 4.63 0.00 2.22 1.94 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 2.29 2.25 0.00 147 S 8.37 4.44 0.00 4.04 3.92 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 0.00 148 G 8.83 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 0.00 149 Q 8.38 4.53 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.68 0.00 150 V 7.84 4.84 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.14 0.00 0.00 151 Y 8.68 5.52 0.00 3.11 3.13 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 0.00 0.00 0.00 0.00 152 F 8.93 5.05 0.00 1.68 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 0.00 153 G 8.38 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 0.00 154 I 8.25 5.79 1.96 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.57 0.68 0.00 0.00 155 I 8.29 4.92 1.96 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 1.27 1.33 1.02 0.00 0.00 156 A 8.35 3.61 0.72 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 0.00 0.00 157 L 8.73 4.25 0.00 1.53 1.54 0.93 1.07 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 * Residues marked with a * may have inaccurate shift predictions.