NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.3768 8.0131 121.0517 60.9971 39.3193 174.4331 3 G 4.1421 9.0410 115.6057 44.0775 0.0000 167.8824 4 E 5.1953 9.2300 122.5844 54.5470 32.1661 173.3710 5 L 4.7217 8.5949 127.2688 54.3591 42.8955 177.1074 6 V 4.3310 8.7438 125.7602 60.3065 33.3459 177.3569 7 K 4.0517 8.6697 132.5639 57.8567 28.8494 177.1234 8 D 4.8213 9.1558 125.1410 53.6846 39.9008 175.2274 9 K 4.9087 7.7610 118.5289 55.0178 37.3341 174.8760 10 I 4.9519 9.1823 122.2918 59.6111 40.1884 174.7541 11 L 4.6333 9.2723 130.1304 54.1798 43.9860 175.4122 12 I 4.6249 8.6558 127.8349 59.4438 37.9486 176.4385 13 K 3.9607 8.6293 127.4134 59.1628 33.2490 178.1742 14 N 4.5151 8.0124 118.7387 52.9913 39.9064 175.5822 15 I 3.7641 8.3954 129.0203 64.2515 37.2365 178.2839 16 E 3.9289 8.2044 119.0871 59.5704 29.4107 178.6136 17 D 4.3667 9.7620 119.5030 57.7287 40.8674 178.5342 18 A 4.0160 8.3761 121.2255 55.5819 18.3665 179.6879 19 R 3.9283 8.6225 115.9721 59.3059 29.9627 179.5894 20 L 3.9979 7.9448 118.0350 57.9849 41.8446 179.0915 21 I 3.8181 7.9044 118.6745 64.5707 37.1883 177.5960 22 Y 4.3296 8.4006 120.5279 60.0874 38.9213 178.2237 23 K 4.2574 8.0384 121.2884 55.3727 31.4606 177.3206 *25 G 3.7144 7.9486 102.2977 45.9682 0.0000 172.7542 26 Y 2.4813 7.2327 112.7301 58.5111 35.3970 169.8554 27 Y 4.6682 7.6261 116.3255 57.0998 40.6315 177.2030 28 G 4.1394 9.5155 114.8020 44.7566 0.0000 172.7796 29 K 4.6172 8.4133 118.4260 53.7963 34.8114 174.0870 30 P 4.8805 0.0000 0.0000 62.4962 32.5891 176.8819 31 I 4.1092 7.5794 121.8993 59.9361 35.5680 176.0795 32 G 3.8358 7.5068 108.9092 43.7065 0.0000 171.5917 *44 S 4.1607 8.4060 119.2835 57.7417 63.3677 172.5292 45 E 4.4522 8.5397 125.1687 55.8031 30.6649 175.7063 46 L 4.2793 8.5075 125.8963 54.7610 43.8206 175.2069 47 I 4.8596 8.6906 127.1041 59.7346 39.4407 174.4815 48 L 5.3319 9.1171 127.9930 52.9196 44.4636 176.8144 49 S 4.7818 8.6475 117.3381 57.2999 64.6673 175.1788 50 L 4.1022 8.6353 121.2187 58.2071 41.1821 179.8567 51 I 3.8446 7.9048 119.0835 64.5233 36.9990 178.2052 52 E 4.0138 7.9697 119.5129 59.2980 29.2922 179.5383 53 G 3.7151 8.6424 106.1987 48.0124 0.0000 175.8414 54 V 3.7149 8.5681 121.3536 65.6777 31.4797 177.4438 55 Y 4.6385 8.3369 118.9984 61.0691 38.9208 177.8545 56 L 3.7786 8.4576 120.1306 57.7194 41.7122 179.8405 57 V 4.0556 8.0816 119.4974 65.6026 31.3757 178.0177 58 K 3.9840 8.1156 117.7160 59.1581 32.0103 177.8579 59 K 4.1375 7.7341 116.2077 55.7930 32.2133 177.7670 60 G 3.8590 8.1116 107.6622 46.0042 0.0000 174.4938 61 K 4.3060 7.6880 117.3904 56.1170 32.5118 176.2231 62 L 4.4965 7.2665 119.6955 54.1029 45.4607 173.1718 63 E 4.9944 8.7791 124.3633 54.6740 32.9646 174.8073 64 I 5.0793 8.2452 122.6075 59.5735 41.2614 174.5386 65 V 4.7783 9.0903 125.2195 61.3319 35.2204 174.2973 66 S 4.5955 9.0849 121.4189 56.7832 62.8328 172.3271 67 N 4.0085 9.8105 120.6546 53.2301 36.2053 173.3143 68 G 4.3225 8.3026 112.4743 45.3992 0.0000 171.8306 69 E 3.8668 7.8335 121.4131 55.5846 30.1605 175.4637 70 R 4.7500 8.3924 126.1894 54.7621 30.1835 175.2589 71 L 4.3606 8.2188 126.8309 53.7942 42.4600 177.5628 72 D 4.8167 8.2920 124.5485 51.8104 42.9672 176.4665 73 F 4.0466 8.7635 119.8738 61.8952 39.1867 176.7435 74 E 3.9264 8.4136 117.3878 59.6904 29.2682 179.6417 75 R 3.8919 8.0409 117.4162 59.1043 30.0922 179.0990 76 L 3.8371 8.1717 119.2161 57.7557 41.6361 178.7387 77 Y 3.4977 8.0308 119.6893 60.7287 38.6864 177.9562 78 Q 3.8922 7.9066 120.2023 59.4193 29.0715 178.5725 79 I 3.6657 7.6951 120.8722 63.9957 37.0040 178.5934 80 G 2.1675 7.3244 106.7565 47.1793 0.0000 175.7109 81 V 3.4323 6.4032 119.5249 65.9555 31.5156 178.0519 82 T 3.9666 7.2912 113.9088 66.6339 68.4108 176.7117 83 Q 4.1521 8.1624 118.8105 57.4383 29.1627 176.5100 84 I 4.3303 7.5302 122.2695 58.9240 38.2041 173.7290 85 P 4.3726 0.0000 0.0000 63.7647 31.8714 176.3975 86 R 3.9779 8.8756 119.3471 57.4377 27.8823 177.8763 87 F 3.9692 8.1111 122.5071 61.5809 39.2040 177.2017 88 R 4.1082 8.2293 117.1635 59.5543 30.1281 179.0096 89 I 3.8636 7.7702 112.1990 63.8960 37.6702 178.0597 90 L 4.1858 8.3506 121.2757 57.8666 41.4447 178.8263 91 Y 3.9377 8.3176 119.8734 60.4673 38.6238 177.9177 92 S 4.1259 8.1326 116.2906 61.6248 62.8816 176.8947 93 V 3.7250 7.7341 121.8692 65.2716 31.2972 177.1820 94 Y 3.0986 7.9249 119.4328 60.4175 38.4286 177.7497 95 E 3.3211 7.9560 120.1684 59.1517 29.8458 178.1133 96 D 4.4260 7.7706 117.8140 57.5557 41.4019 178.4146 97 L 3.7575 7.8799 119.6012 57.5366 41.4247 179.5188 98 R 3.7339 7.7252 119.0989 59.3062 29.7105 178.2399 99 E 4.0470 8.6929 118.9433 58.7424 29.6649 177.9341 100 K 4.3466 7.5911 115.8802 56.3892 32.4731 177.6255 101 G 3.8901 8.2638 108.8179 45.0058 0.0000 173.6049 102 Y 4.3151 7.4926 116.5801 57.6912 39.2468 175.3322 103 V 4.0469 8.7215 122.0506 61.6158 33.0939 174.6532 104 V 4.5114 8.0447 128.5070 61.4700 32.8049 174.8255 105 R 4.9486 8.7062 126.0181 53.8383 34.2793 174.8723 106 S 4.6406 8.9836 114.7685 58.6225 63.2215 173.7701 107 G 4.3146 8.7759 111.4722 46.3320 0.0000 175.0023 108 I 3.9652 7.8307 123.0149 64.0932 37.3095 178.5224 109 K 3.6894 8.1822 118.3618 59.3443 31.7843 176.9941 110 Y 4.4060 7.8889 113.0421 57.1894 38.5592 175.0193 111 G 3.7693 9.5830 108.2369 45.7592 0.0000 172.3360 112 A 4.5305 7.9297 118.3270 50.9634 23.0541 177.9204 113 D 4.2009 8.6865 117.9528 56.9721 41.8642 177.0290 114 F 5.7465 8.3237 115.1812 55.6649 43.9404 174.2571 115 A 4.9423 9.2469 122.8620 50.2292 20.5941 174.8974 116 V 4.4680 8.7381 121.9665 63.1215 33.4042 174.2587 117 Y 4.8141 9.1568 125.7376 56.3955 40.3039 174.9113 118 T 4.3276 8.8034 119.5394 61.2522 68.5925 174.2620 119 I 4.4623 8.1288 127.6825 61.0253 38.1739 175.7331 120 G 4.3514 7.4666 111.8274 43.6038 0.0000 172.3592 121 P 4.0059 0.0000 0.0000 64.5017 31.7924 174.1382 *127 P 3.4731 0.0000 0.0000 62.0858 32.3598 175.5432 128 Y 4.1906 8.2252 122.5734 56.9741 39.7828 174.4378 129 L 4.9477 8.3438 123.5341 53.4109 43.8685 175.5774 130 V 4.9784 8.6643 123.4332 61.0773 35.2332 174.2314 131 I 4.9484 8.6369 127.0017 59.3122 39.9918 174.7702 132 A 4.7140 9.2492 130.3732 51.8217 19.1344 176.2711 133 L 4.7639 9.5248 123.2936 53.5233 46.4424 174.4536 134 D 5.3167 8.7589 123.4002 52.4390 42.7240 177.2101 135 E 3.9675 8.7745 122.6937 59.0110 29.4354 177.6212 136 N 4.7380 8.1312 114.4268 52.9929 39.2279 175.4249 137 S 4.2846 8.2626 115.3079 58.8212 63.3956 174.3514 138 Q 4.3147 8.3113 120.4235 54.6700 30.9065 174.2516 139 I 4.6417 8.1345 122.9723 58.8587 40.4250 175.2368 140 S 4.4876 9.8687 122.7184 57.5919 63.4611 175.1756 141 S 4.0763 8.6391 120.6851 61.4012 62.9297 175.5298 142 N 4.6992 8.0434 116.2086 53.7789 39.2947 176.0298 143 E 4.1907 8.2340 117.7437 59.4353 30.7175 178.5150 144 I 3.9643 7.7649 119.0929 62.6695 36.5827 177.1169 145 L 3.8629 5.6200 129.9806 58.6663 41.1455 179.3791 146 G 4.1478 7.1928 103.7253 48.0370 0.0000 173.2625 147 F 4.5734 7.1632 116.9045 54.5851 42.8484 174.7535 148 G 4.3514 7.1076 120.0448 45.9238 0.0000 173.5214 149 R 4.2331 7.2320 118.3794 55.5559 35.8267 175.8008 150 V 3.6244 7.6112 119.1640 63.8555 32.0851 175.3164 151 S 2.7900 8.0174 119.9001 58.6921 62.0131 171.9523 *156 K 4.1939 7.6989 119.1130 58.2250 33.3180 174.3827 157 E 4.8368 8.4989 117.3036 55.6938 31.4139 175.1164 158 L 4.6677 8.0283 121.2012 54.0532 45.1030 175.1253 159 I 4.2002 9.1733 128.4476 60.0386 39.2284 174.8079 160 L 4.5405 8.7905 127.8802 53.8772 43.2289 176.2490 161 G 4.1711 9.2513 113.0562 44.7865 0.0000 171.3028 162 I 4.5908 8.3030 127.9051 60.3215 38.5147 174.8489 163 V 4.5564 9.0961 128.9324 61.2189 33.9235 174.1165 164 N 5.0956 8.6278 126.6637 52.0058 39.5163 175.6313 165 L 4.1867 8.4480 126.6919 57.2975 41.5379 178.6354 166 T 4.1598 7.3863 115.9347 65.7251 68.9561 175.2444 167 N 4.4432 8.4456 120.5318 53.3035 38.0895 176.5476 168 G 3.9512 8.2188 106.9583 45.6214 0.0000 173.9598 169 K 4.3489 9.5363 120.2746 56.2211 33.5320 176.0553 170 I 4.9315 8.0922 122.0547 59.5789 40.7476 174.9475 171 R 4.4850 8.7270 125.7827 54.6048 32.8632 174.3513 172 Y 5.1517 8.4791 122.0928 56.4694 40.2433 174.9010 173 I 4.7203 8.3604 117.0170 58.8459 41.6828 173.8965 *175 F 4.9573 8.3488 115.6062 56.8288 39.1789 174.3584 176 K 4.7320 8.7140 119.3498 54.1854 34.9648 175.8567 177 W 4.3486 8.7773 131.8132 56.9200 30.5442 176.0107 178 L 4.3358 7.8604 125.8535 53.7135 42.5632 177.1595 179 K 3.7489 7.9783 118.5481 56.5844 32.7537 176.4247 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 I 8.01 4.38 1.87 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 1.28 1.35 0.92 0.00 0.00 3 G 9.04 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 0.00 0.00 0.00 4 E 9.23 5.20 0.00 1.89 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 2.26 2.38 0.00 5 L 8.59 4.72 0.00 1.62 1.56 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.74 4.33 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 0.93 0.00 0.00 7 K 8.67 4.05 0.00 1.96 1.27 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.40 7.81 8 D 9.16 4.82 0.00 2.76 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 9 K 7.76 4.91 0.00 1.71 1.73 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.41 7.81 10 I 9.18 4.95 2.02 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 1.13 0.69 0.94 0.00 0.00 11 L 9.27 4.63 0.00 1.73 1.53 0.93 0.83 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 12 I 8.66 4.62 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 1.41 1.19 0.99 0.00 0.00 13 K 8.63 3.96 0.00 1.87 1.94 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.43 7.81 14 N 8.01 4.52 0.00 2.78 2.74 0.00 0.00 7.24 7.75 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 15 I 8.40 3.76 1.87 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 1.84 0.48 0.91 0.00 0.00 16 E 8.20 3.93 0.00 2.19 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 2.40 2.40 0.00 17 D 9.76 4.37 0.00 2.82 2.74 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 18 A 8.38 4.02 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 19 R 8.62 3.93 0.00 2.04 2.04 0.00 3.13 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 20 L 7.94 4.00 0.00 1.79 1.73 0.92 0.74 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 21 I 7.90 3.82 2.07 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 1.39 0.68 0.93 0.00 0.00 22 Y 8.40 4.33 0.00 3.17 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.04 4.26 0.00 2.02 1.78 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.59 7.81 *25 G 7.95 3.71 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 0.00 0.00 0.00 26 Y 7.23 2.48 0.00 2.81 2.74 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 27 Y 7.63 4.67 0.00 3.16 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 9.52 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 0.00 0.00 0.00 29 K 8.41 4.62 0.00 1.87 1.68 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.42 7.81 30 P 0.00 4.88 0.00 1.98 1.85 0.00 3.60 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 31 I 7.58 4.11 1.87 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 0.70 0.91 0.00 0.00 32 G 7.51 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 0.00 0.00 0.00 *44 S 8.41 4.16 0.00 3.84 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 45 E 8.54 4.45 0.00 2.07 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 2.26 2.25 0.00 46 L 8.51 4.28 0.00 1.77 1.62 1.11 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.69 4.86 2.05 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 1.25 0.67 0.95 0.00 0.00 48 L 9.12 5.33 0.00 1.60 1.65 0.99 0.95 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 49 S 8.65 4.78 0.00 4.02 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.64 4.10 0.00 1.83 1.88 0.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.90 3.84 1.80 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.35 0.47 0.00 0.00 52 E 7.97 4.01 0.00 2.22 2.25 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 2.34 2.29 0.00 53 G 8.64 3.72 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 0.00 54 V 8.57 3.71 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.02 0.00 0.00 55 Y 8.34 4.64 0.00 3.66 3.53 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 0.00 0.00 0.00 0.00 56 L 8.46 3.78 0.00 1.85 1.62 0.76 0.50 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 57 V 8.08 4.06 2.41 0.00 0.00 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 0.00 0.00 1.04 0.00 0.00 58 K 8.12 3.98 0.00 1.85 2.09 0.00 1.98 0.00 0.00 1.84 0.00 0.00 3.30 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.23 0.80 7.81 59 K 7.73 4.14 0.00 1.65 1.63 0.00 1.58 0.00 0.00 1.21 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.68 0.79 7.81 60 G 8.11 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.69 4.31 0.00 1.64 1.74 0.00 1.73 0.00 0.00 1.50 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.35 1.35 7.81 62 L 7.27 4.50 0.00 1.69 1.42 0.92 0.93 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 63 E 8.78 4.99 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 2.29 2.25 0.00 64 I 8.25 5.08 1.89 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 1.25 1.31 0.91 0.00 0.00 65 V 9.09 4.78 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 1.05 0.00 0.00 0.93 0.00 0.00 66 S 9.08 4.60 0.00 3.80 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 67 N 9.81 4.01 0.00 2.91 2.79 0.00 0.00 7.08 7.53 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 68 G 8.30 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 E 7.83 3.87 0.00 2.01 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 2.37 2.29 0.00 70 R 8.39 4.75 0.00 1.80 1.84 0.00 3.28 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 71 L 8.22 4.36 0.00 1.71 1.58 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.29 4.82 0.00 2.97 2.86 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 73 F 8.76 4.05 0.00 3.18 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 74 E 8.41 3.93 0.00 2.13 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 2.46 2.57 0.00 75 R 8.04 3.89 0.00 2.07 1.93 0.00 3.26 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 76 L 8.17 3.84 0.00 1.69 1.60 0.94 0.55 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 77 Y 8.03 3.50 0.00 2.25 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.91 3.89 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 79 I 7.70 3.67 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.51 0.78 0.00 0.00 80 G 7.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 6.40 3.43 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 0.84 0.00 0.00 0.78 0.00 0.00 82 T 7.29 3.97 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 1.16 0.00 0.00 83 Q 8.16 4.15 0.00 1.89 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 84 I 7.53 4.33 2.22 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 1.45 1.23 1.10 0.00 0.00 85 P 0.00 4.37 0.00 2.06 2.00 0.00 3.83 0.00 0.00 3.88 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 86 R 8.88 3.98 0.00 2.06 2.05 0.00 3.15 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 87 F 8.11 3.97 0.00 3.35 2.99 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 88 R 8.23 4.11 0.00 2.02 2.14 0.00 3.31 0.00 0.00 3.60 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.86 0.00 89 I 7.77 3.86 1.90 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 1.78 0.66 0.95 0.00 0.00 90 L 8.35 4.19 0.00 1.83 1.89 0.95 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.32 3.94 0.00 2.17 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 92 S 8.13 4.13 0.00 4.16 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 93 V 7.73 3.73 2.39 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 1.44 0.00 0.00 1.07 0.00 0.00 94 Y 7.92 3.10 0.00 2.88 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 95 E 7.96 3.32 0.00 1.20 1.62 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 2.33 2.56 0.00 96 D 7.77 4.43 0.00 2.85 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 97 L 7.88 3.76 0.00 1.43 1.22 0.49 -0.10 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 98 R 7.73 3.73 0.00 0.96 1.12 0.00 2.55 0.00 0.00 2.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.54 0.00 99 E 8.69 4.05 0.00 2.13 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 2.38 2.45 0.00 100 K 7.59 4.35 0.00 2.18 1.97 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.61 7.81 101 G 8.26 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.49 4.32 0.00 2.76 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 0.00 103 V 8.72 4.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.90 0.00 0.00 104 V 8.04 4.51 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 0.41 0.00 0.00 0.41 0.00 0.00 105 R 8.71 4.95 0.00 1.99 1.96 0.00 3.25 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 1.53 1.61 0.00 106 S 8.98 4.64 0.00 4.02 3.90 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 0.00 107 G 8.78 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 0.00 0.00 0.00 0.00 108 I 7.83 3.97 1.90 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 1.30 0.79 0.92 0.00 0.00 109 K 8.18 3.69 0.00 1.00 1.42 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.44 7.81 110 Y 7.89 4.41 0.00 3.05 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 9.58 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 0.00 112 A 7.93 4.53 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 0.00 113 D 8.69 4.20 0.00 2.21 1.54 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 0.00 114 F 8.32 5.75 0.00 3.03 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 9.25 4.94 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 V 8.74 4.47 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 0.80 0.00 0.00 0.77 0.00 0.00 117 Y 9.16 4.81 0.00 2.94 2.78 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 0.00 0.00 0.00 0.00 118 T 8.80 4.33 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 119 I 8.13 4.46 1.78 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 1.32 0.72 0.88 0.00 0.00 120 G 7.47 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 0.00 0.00 0.00 0.00 121 P 0.00 4.01 0.00 2.04 2.16 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 *127 P 0.00 3.47 0.00 1.28 0.97 0.00 3.30 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 128 Y 8.23 4.19 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 8.34 4.95 0.00 1.57 1.56 0.45 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.66 4.98 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.86 0.00 0.00 131 I 8.64 4.95 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 7.11 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 0.00 0.00 0.00 0.00 149 R 7.23 4.23 0.00 1.71 1.83 0.00 3.33 0.00 0.00 3.06 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 150 V 7.61 3.62 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 0.84 0.00 0.00 1.10 0.00 0.00 151 S 8.02 2.79 0.00 3.45 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *156 K 7.70 4.19 0.00 1.89 1.93 0.00 1.49 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.44 7.81 157 E 8.50 4.84 0.00 2.03 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 2.31 2.34 0.00 158 L 8.03 4.67 0.00 1.78 1.77 0.92 1.10 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 0.00 159 I 9.17 4.20 1.78 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.44 0.87 0.00 0.00 160 L 8.79 4.54 0.00 1.54 1.52 0.95 0.59 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 0.00 161 G 9.25 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 0.00 162 I 8.30 4.59 1.89 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 1.08 0.65 0.87 0.00 0.00 163 V 9.10 4.56 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 0.94 0.00 0.00 0.97 0.00 0.00 164 N 8.63 5.10 0.00 2.85 2.93 0.00 0.00 7.01 6.27 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 0.00 165 L 8.45 4.19 0.00 1.74 1.77 0.99 0.96 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 0.00 166 T 7.39 4.16 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 1.23 0.00 0.00 167 N 8.45 4.44 0.00 2.79 2.95 0.00 0.00 7.20 6.87 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 0.00 168 G 8.22 3.95 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 0.00 0.00 0.00 169 K 9.54 4.35 0.00 1.73 1.71 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.42 7.81 170 I 8.09 4.93 1.67 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 0.67 0.12 0.00 0.00 171 R 8.73 4.49 0.00 1.61 1.75 0.00 3.06 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 172 Y 8.48 5.15 0.00 2.91 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 I 8.36 4.72 1.87 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 1.22 0.93 0.89 0.00 0.00 *175 F 8.35 4.96 0.00 3.12 3.34 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 0.00 176 K 8.71 4.73 0.00 1.81 1.83 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.47 7.81 177 W 8.78 4.35 0.00 3.17 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 0.00 178 L 7.86 4.34 0.00 1.45 1.37 0.86 0.84 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 0.00 179 K 7.98 3.75 0.00 1.55 1.48 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.60 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.76 1.12 7.81 * Residues marked with a * may have inaccurate shift predictions.