NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.5092 0.0000 0.0000 61.9622 34.0590 175.4208 3 S 5.0809 8.0235 111.1077 56.6719 65.7161 171.7082 4 I 4.6804 9.2008 124.3234 60.0582 42.5954 173.3713 5 K 5.0724 8.7387 124.9158 54.9887 34.3699 175.2649 6 L 5.0757 9.2391 124.7984 53.0564 44.9078 175.2229 7 Q 5.2564 8.8194 123.5226 54.1081 31.6262 175.0385 8 S 4.9059 9.5818 122.5467 58.1573 64.2403 175.4170 9 S 4.3381 9.6692 117.8878 60.0006 63.5854 174.6946 10 D 5.1240 8.1341 119.9263 53.3493 39.7755 175.5369 11 G 4.1549 8.5643 110.3383 46.7486 0.0000 175.2524 12 E 4.0309 8.6049 119.4520 56.2714 30.7070 176.3216 13 I 5.0340 8.0050 123.9491 59.6424 39.5899 174.8099 14 F 4.8448 9.2770 125.9565 55.6818 41.9492 174.6219 15 E 5.0427 9.0105 123.1441 55.4890 30.0988 175.7959 16 V 4.5023 8.3245 118.3710 59.0750 35.0886 175.4630 17 D 4.8392 8.4677 121.5146 54.0676 42.1113 177.4791 18 V 3.6205 8.4177 119.4483 64.8153 31.3097 178.7301 19 E 3.9745 9.3078 119.0064 59.1226 29.8049 178.5821 20 I 3.9396 7.7371 119.3597 64.0416 37.3357 177.9748 21 A 4.0365 8.3216 121.9921 54.8905 18.0080 179.4409 22 K 3.9349 8.0317 116.9698 59.0521 32.2960 178.4688 23 Q 4.3246 7.7732 117.0978 56.7986 28.8378 175.8055 24 S 4.6010 7.7710 116.1203 56.2694 63.1393 174.3890 25 V 3.6190 8.3109 128.7796 66.5243 31.0414 177.9638 26 T 3.7446 7.6832 114.9118 66.8080 68.4933 176.8579 27 I 3.7313 7.4865 121.0682 63.7988 36.7839 178.6338 28 K 3.8774 8.2071 120.5553 59.7774 32.3974 178.1848 29 T 3.9558 8.1056 113.6287 65.5943 67.0064 175.8070 30 M 4.0600 7.8417 120.0463 58.3712 31.9093 178.4410 31 L 4.2354 7.6522 115.9961 57.0825 41.8961 177.2353 32 E 4.5592 7.8765 116.8372 57.6079 31.3409 177.0962 33 D 4.6294 8.4564 116.7120 55.3233 40.8061 176.9428 34 L 4.5050 8.5760 118.7923 54.1266 49.2189 175.8901 35 G 3.9888 7.9712 106.1690 46.7739 0.0000 172.1002 36 M 4.4098 7.2629 117.0639 53.8696 34.2060 176.1565 *43 D 5.1894 7.6188 117.9663 54.5011 43.3854 175.4690 44 P 4.7583 0.0000 0.0000 61.7130 29.5546 173.7414 45 V 3.5675 8.5625 121.3122 62.7167 32.9317 173.1874 46 P 4.6397 0.0000 0.0000 62.2805 31.6450 177.3422 47 L 4.9999 8.3664 126.3849 52.2862 41.5046 175.7832 48 P 4.3418 0.0000 0.0000 64.9680 31.8099 177.7616 49 N 4.5174 7.7489 114.7671 52.5669 38.7167 174.4736 50 V 4.3479 7.6248 119.1240 60.9763 34.4629 175.1959 51 N 5.1192 8.8504 123.6966 51.0006 38.9579 175.6493 52 A 4.3350 8.9707 119.2667 55.2813 18.0141 179.4415 53 A 4.0084 8.0445 119.3736 55.1864 18.5293 179.4149 54 I 3.6362 7.9698 116.8645 64.5065 37.3135 178.3517 55 L 3.8478 7.9727 120.8725 58.2016 41.6803 178.9187 56 K 3.5411 7.6509 118.8916 59.1772 32.0299 179.0259 57 K 4.2591 7.7840 119.0257 59.4036 32.0407 179.3808 58 V 3.7902 8.1946 118.8921 66.2947 31.3714 178.1617 59 I 3.7551 8.1628 119.8789 64.1964 36.8841 178.1899 60 Q 4.0471 7.9872 120.3510 59.0903 29.1351 178.0490 61 W 3.9774 8.9039 129.6360 60.8323 30.4703 177.7297 62 C 4.3577 8.4798 115.6631 62.9821 27.9346 175.9299 63 T 3.9215 8.1549 117.6481 66.8651 67.8317 176.1072 64 H 3.6174 7.7442 118.8146 58.4521 29.8962 176.0602 65 H 5.3448 7.3065 118.0537 54.3525 29.5977 176.8781 66 K 3.8838 7.3935 123.0251 59.5811 32.3586 177.3429 67 D 4.6082 7.6533 117.2527 55.3134 42.3447 177.7902 68 D 4.4815 7.4477 120.5155 53.6783 41.4130 174.6082 *85 I 4.1899 8.1066 121.7182 61.3529 38.4829 174.3716 86 P 4.4984 0.0000 0.0000 62.7253 33.2153 177.7653 87 V 3.6399 8.3359 118.8235 66.1017 31.5620 178.1312 88 W 4.2260 8.3674 127.6458 60.6987 30.4001 177.4956 89 D 4.7062 8.4586 118.4897 57.4014 40.1991 178.5796 90 Q 4.0767 8.0249 118.2249 58.8811 29.0575 178.2212 91 E 4.0493 8.6811 119.2207 59.2215 29.4195 178.7924 92 F 3.8392 7.7465 120.9894 60.5321 39.3623 176.2581 93 L 4.3993 7.8583 116.4420 54.0046 43.7414 177.9166 94 K 4.2605 7.3912 121.8213 55.0193 30.3731 174.9093 95 V 4.5167 6.9832 114.1536 58.0502 36.3856 175.8701 96 D 4.5606 8.2446 120.3900 53.3378 41.0611 176.9419 97 Q 4.1746 8.8477 120.1732 59.5414 28.6025 179.6402 98 G 3.8044 8.1689 105.7650 48.4942 0.0000 175.3771 99 T 3.8809 8.3626 118.6834 66.0796 68.4645 176.4977 100 L 3.9162 8.0158 122.1359 58.0420 41.7135 178.8160 101 F 3.9630 8.6685 121.1981 61.1675 39.2792 177.0765 102 E 4.1424 8.6768 118.8174 59.2283 29.1925 179.2999 103 L 3.9914 8.1562 119.4088 57.8712 41.7196 179.5221 104 I 3.5064 7.8291 119.8187 64.1127 36.8171 178.6484 105 L 3.7943 7.4662 119.1564 57.5981 41.4671 179.0052 106 A 4.2101 8.3416 120.8627 55.4097 18.3294 179.2755 107 A 3.7888 8.5840 119.4869 55.4836 18.3697 179.4826 108 N 4.1914 8.0165 115.2400 56.8215 38.8722 176.5073 109 Y 4.1734 8.4979 120.5991 60.7930 39.4423 177.5977 110 L 3.7548 8.6926 118.2528 53.9408 43.2184 175.5504 111 D 4.4654 7.4865 117.2685 55.2000 39.5814 172.3311 112 I 4.5268 8.1840 121.3411 58.0271 38.0199 176.1482 113 K 3.8309 8.6240 126.2391 59.5050 31.4961 177.8307 114 G 3.7993 8.0517 105.0399 48.0307 0.0000 175.2950 115 L 2.6428 7.1239 122.5486 56.2874 41.8594 178.3434 116 L 3.8911 7.8400 120.6111 57.5255 41.8464 178.3186 117 D 4.2313 7.7015 118.0132 57.4343 41.2249 178.5482 118 V 3.6726 7.3733 111.9389 64.6155 31.5852 178.7162 119 T 3.8651 7.6343 109.0387 65.0531 68.4812 176.3854 120 C 4.0920 7.8332 119.4977 62.5108 28.1934 176.2677 121 K 4.0896 8.3343 120.1815 59.4215 31.4205 179.6687 122 T 3.8923 8.3003 116.7785 66.7488 68.3895 176.9150 123 V 3.7568 7.9219 119.7742 65.5533 31.3699 178.0688 124 A 4.0028 7.9657 120.9393 55.3009 18.1054 179.3978 125 N 4.3215 8.4918 113.8418 56.4437 38.5575 177.3488 126 M 4.2628 7.6079 119.9401 58.3215 31.9603 178.4376 127 I 3.9504 7.7077 119.6039 63.3042 37.4538 176.8850 128 K 3.8470 7.5599 118.1620 58.4652 32.5254 175.8721 129 G 4.3702 9.0177 117.7799 45.6912 0.0000 174.2491 130 K 4.0366 7.1323 118.7939 56.0212 32.6924 177.7248 131 T 4.3851 8.2881 112.8363 60.1682 71.7173 174.1006 132 P 4.2315 0.0000 0.0000 65.7289 31.1310 178.6490 133 E 3.9006 8.0518 117.5053 59.5021 29.9652 178.4660 134 E 3.9641 7.8895 118.5902 59.4718 29.2903 179.6443 135 I 3.7555 8.0131 120.1265 64.2495 37.2268 178.5614 136 R 4.0272 7.8787 118.6277 59.7897 29.9034 178.2883 137 K 3.8433 8.3849 118.0371 59.9589 31.6766 178.8615 138 T 3.5254 7.9635 109.9957 66.7185 68.7025 175.0287 139 F 4.9510 7.6308 122.2303 55.2697 40.2685 175.2501 140 N 4.2159 7.7752 114.0913 54.0780 36.8446 171.7114 141 I 4.5925 8.2074 120.5379 58.3014 40.3892 175.8112 142 K 3.9963 8.5572 126.1800 56.2921 32.6340 176.3360 143 N 4.7015 8.4688 124.6058 52.5610 37.9836 174.5075 144 D 4.3294 8.6729 125.1918 57.3348 41.1725 177.1177 145 F 4.2832 7.4098 114.6466 57.4287 39.9505 174.4062 146 T 4.7364 8.7662 117.2324 61.7784 70.5203 176.0938 147 E 4.2461 8.8194 124.3556 59.1531 29.5103 178.7130 148 E 4.2494 8.1214 118.6132 57.9396 30.4776 177.9550 149 E 4.1595 8.7340 119.1039 59.1586 29.7723 178.6434 150 E 3.6245 8.0585 117.6530 58.7832 29.5597 179.0935 151 A 3.9594 7.4343 120.0604 54.8292 18.3282 179.5015 152 Q 3.8172 7.5941 116.8372 59.3407 29.0615 177.9909 153 V 3.7076 7.6374 119.6065 65.4846 31.7326 177.6506 154 R 3.9520 7.8178 117.9329 59.2154 29.7862 178.4474 155 K 3.9904 7.8704 119.2733 59.4904 32.0405 178.3416 156 E 4.3532 9.2707 118.6852 57.9271 29.2180 177.6033 157 N 4.9750 7.7270 115.0450 52.4536 39.4775 175.9375 158 Q 3.9169 7.8455 121.2772 58.8274 28.9789 177.8128 159 W 4.4706 8.3821 115.0914 59.3783 28.1001 175.3252 160 C 3.5082 6.2359 122.9745 59.0457 30.7022 172.7381 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 P 0.00 4.51 0.00 1.78 2.13 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.60 0.00 3 S 8.02 5.08 0.00 3.92 3.73 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 4 I 9.20 4.68 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 1.24 0.53 0.94 0.00 0.00 5 K 8.74 5.07 0.00 1.73 1.75 0.00 1.65 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.47 7.81 6 L 9.24 5.08 0.00 1.70 1.65 0.94 0.71 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 7 Q 8.82 5.26 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 8 S 9.58 4.91 0.00 4.07 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 9.67 4.34 0.00 3.91 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 10 D 8.13 5.12 0.00 2.77 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 11 G 8.56 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.60 4.03 0.00 2.00 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 2.18 2.27 0.00 13 I 8.01 5.03 1.81 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 1.36 0.71 0.99 0.00 0.00 14 F 9.28 4.84 0.00 2.99 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 15 E 9.01 5.04 0.00 1.89 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 2.28 2.35 0.00 16 V 8.32 4.50 2.12 0.00 0.00 0.00 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 0.97 0.00 0.00 17 D 8.47 4.84 0.00 2.68 2.53 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 18 V 8.42 3.62 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 0.82 0.00 0.00 0.93 0.00 0.00 19 E 9.31 3.97 0.00 1.89 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 0.00 2.30 2.38 0.00 20 I 7.74 3.94 2.00 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 1.54 0.86 0.92 0.00 0.00 21 A 8.32 4.04 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 22 K 8.03 3.93 0.00 1.88 2.08 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.62 7.81 23 Q 7.77 4.32 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.49 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 24 S 7.77 4.60 0.00 3.81 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 25 V 8.31 3.62 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 1.06 0.00 0.00 0.98 0.00 0.00 26 T 7.68 3.74 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 0.82 0.00 0.00 27 I 7.49 3.73 1.98 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 1.36 1.05 0.91 0.00 0.00 28 K 8.21 3.88 0.00 1.94 1.92 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.61 1.43 7.81 29 T 8.11 3.96 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 1.28 0.00 0.00 30 M 7.84 4.06 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.58 0.00 31 L 7.65 4.24 0.00 1.79 1.73 0.93 0.72 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 32 E 7.88 4.56 0.00 2.08 1.82 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 2.22 2.45 0.00 33 D 8.46 4.63 0.00 2.71 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 34 L 8.58 4.50 0.00 1.79 1.65 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.97 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 0.00 0.00 0.00 36 M 7.26 4.41 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 *43 D 7.62 5.19 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.76 0.00 1.96 2.04 0.00 3.72 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 2.04 2.10 0.00 45 V 8.56 3.57 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.02 0.00 0.00 46 P 0.00 4.64 0.00 2.03 2.04 0.00 3.71 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 2.30 0.00 47 L 8.37 5.00 0.00 2.01 1.77 0.99 0.90 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 48 P 0.00 4.34 0.00 2.14 2.20 0.00 3.99 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 49 N 7.75 4.52 0.00 1.44 2.04 0.00 0.00 6.61 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.62 4.35 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 1.08 0.00 0.00 1.21 0.00 0.00 51 N 8.85 5.12 0.00 3.14 2.98 0.00 0.00 6.62 7.02 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 52 A 8.97 4.34 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.04 4.01 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 54 I 7.97 3.64 1.89 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 1.68 0.99 0.93 0.00 0.00 55 L 7.97 3.85 0.00 1.89 1.24 0.90 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.65 3.54 0.00 2.10 2.05 0.00 1.95 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.70 7.81 57 K 7.78 4.26 0.00 2.07 2.01 0.00 1.79 0.00 0.00 1.49 0.00 0.00 2.43 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.66 1.51 7.81 58 V 8.19 3.79 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 1.15 0.00 0.00 1.00 0.00 0.00 59 I 8.16 3.76 1.84 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.52 0.95 0.00 0.00 60 Q 7.99 4.05 0.00 2.48 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.82 2.64 0.00 61 W 8.90 3.98 0.00 3.12 3.37 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 62 C 8.48 4.36 0.00 3.21 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 63 T 8.15 3.92 4.37 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 1.15 0.00 0.00 64 H 7.74 3.62 0.00 2.01 2.44 0.00 5.92 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 7.31 5.34 0.00 2.49 2.82 0.00 5.89 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.39 3.88 0.00 1.82 1.94 0.00 1.52 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.32 7.81 67 D 7.65 4.61 0.00 2.55 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 7.45 4.48 0.00 2.79 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 *85 I 8.11 4.19 1.95 0.00 0.00 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 1.51 0.54 1.05 0.00 0.00 86 P 0.00 4.50 0.00 2.36 2.11 0.00 3.89 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 87 V 8.34 3.64 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 1.08 0.00 0.00 0.98 0.00 0.00 88 W 8.37 4.23 0.00 3.42 3.15 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 0.00 0.00 0.00 0.00 89 D 8.46 4.71 0.00 3.20 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 90 Q 8.02 4.08 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.98 0.00 0.00 0.00 0.00 0.00 2.47 2.82 0.00 91 E 8.68 4.05 0.00 2.10 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 2.16 2.34 0.00 92 F 7.75 3.84 0.00 1.99 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 93 L 7.86 4.40 0.00 1.68 1.65 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.39 4.26 0.00 1.88 1.66 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.51 7.81 95 V 6.98 4.52 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 0.66 0.00 0.00 0.83 0.00 0.00 96 D 8.24 4.56 0.00 2.89 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 97 Q 8.85 4.17 0.00 2.16 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 98 G 8.17 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.36 3.88 4.37 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 1.13 0.00 0.00 100 L 8.02 3.92 0.00 1.79 1.90 0.90 1.02 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 0.00 101 F 8.67 3.96 0.00 3.20 3.20 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 0.00 0.00 0.00 102 E 8.68 4.14 0.00 2.21 2.03 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 2.72 2.54 0.00 103 L 8.16 3.99 0.00 1.78 1.66 0.76 1.11 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 0.00 104 I 7.83 3.51 1.60 0.00 0.00 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 1.41 0.73 0.73 0.00 0.00 105 L 7.47 3.79 0.00 1.85 1.65 1.04 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.34 4.21 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 0.00 107 A 8.58 3.79 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 0.00 108 N 8.02 4.19 0.00 2.91 2.94 0.00 0.00 6.87 7.63 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 0.00 109 Y 8.50 4.17 0.00 2.84 3.24 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 0.00 110 L 8.69 3.75 0.00 1.66 1.56 0.93 0.80 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 0.00 111 D 7.49 4.47 0.00 2.81 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.18 4.53 1.77 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 1.34 0.65 0.95 0.00 0.00 113 K 8.62 3.83 0.00 1.84 1.85 0.00 1.59 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.61 7.81 114 G 8.05 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.12 2.64 0.00 0.27 1.03 0.68 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.84 3.89 0.00 1.86 1.55 0.91 1.05 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 0.00 117 D 7.70 4.23 0.00 2.98 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 0.00 118 V 7.37 3.67 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 1.03 0.00 0.00 0.90 0.00 0.00 119 T 7.63 3.87 4.16 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 1.17 0.00 0.00 120 C 7.83 4.09 0.00 3.07 2.97 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 0.00 121 K 8.33 4.09 0.00 1.94 1.89 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.47 1.63 7.81 122 T 8.30 3.89 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 1.25 0.00 0.00 123 V 7.92 3.76 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 0.77 0.00 0.00 0.91 0.00 0.00 124 A 7.97 4.00 1.44 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 0.00 125 N 8.49 4.32 0.00 2.92 2.94 0.00 0.00 7.14 7.67 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 0.00 126 M 7.61 4.26 0.00 2.01 2.65 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.63 0.00 127 I 7.71 3.95 2.11 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 1.86 1.43 0.98 0.00 0.00 128 K 7.56 3.85 0.00 1.88 1.79 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.71 7.81 129 G 9.02 4.37 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 0.00 130 K 7.13 4.04 0.00 1.89 1.73 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.43 1.45 7.81 131 T 8.29 4.39 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 1.27 0.00 0.00 132 P 0.00 4.23 0.00 2.18 2.18 0.00 3.59 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 2.16 0.00 133 E 8.05 3.90 0.00 2.08 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 2.37 2.45 0.00 134 E 7.89 3.96 0.00 2.16 1.95 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 2.31 2.35 0.00 135 I 8.01 3.76 2.11 0.00 0.00 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 1.57 1.68 1.15 0.00 0.00 136 R 7.88 4.03 0.00 2.03 2.18 0.00 3.18 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.01 0.00 137 K 8.38 3.84 0.00 1.90 1.72 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.66 7.81 138 T 7.96 3.53 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 139 F 7.63 4.95 0.00 3.07 3.09 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 0.00 140 N 7.78 4.22 0.00 2.78 2.80 0.00 0.00 6.89 7.34 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 0.00 141 I 8.21 4.59 1.95 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 1.34 1.18 0.95 0.00 0.00 142 K 8.56 4.00 0.00 1.71 1.70 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.43 7.81 143 N 8.47 4.70 0.00 2.77 2.79 0.00 0.00 7.10 8.47 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 0.00 144 D 8.67 4.33 0.00 2.34 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.41 4.28 0.00 3.06 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 0.00 146 T 8.77 4.74 4.36 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 1.27 0.00 0.00 147 E 8.82 4.25 0.00 2.04 2.03 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 2.42 2.34 0.00 148 E 8.12 4.25 0.00 2.01 1.95 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 2.36 2.33 0.00 149 E 8.73 4.16 0.00 2.40 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 0.00 2.41 2.43 0.00 150 E 8.06 3.62 0.00 1.93 1.86 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 2.09 2.54 0.00 151 A 7.43 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 0.00 152 Q 7.59 3.82 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 153 V 7.64 3.71 1.76 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 0.97 0.00 0.00 0.65 0.00 0.00 154 R 7.82 3.95 0.00 1.96 2.06 0.00 3.10 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 155 K 7.87 3.99 0.00 2.05 1.93 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.58 7.81 156 E 9.27 4.35 0.00 2.19 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 2.37 2.59 0.00 157 N 7.73 4.97 0.00 2.63 2.61 0.00 0.00 6.87 7.22 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 0.00 158 Q 7.85 3.92 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 159 W 8.38 4.47 0.00 3.57 3.30 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 0.00 160 C 6.24 3.51 0.00 1.23 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.