NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 E 4.3773 8.4444 120.2377 55.8122 31.2304 174.9168 9 L 4.4739 7.8672 119.7584 52.3617 44.9418 174.3356 10 D 4.6501 9.5167 126.9831 53.7813 40.7730 175.5432 11 H 4.2199 8.7514 123.7881 58.2427 29.0469 176.9808 12 N 4.5366 8.4696 116.1293 55.3940 38.5964 176.0965 13 A 4.3954 8.1502 120.1263 53.7240 19.3295 178.1083 14 V 3.6571 7.6756 108.2931 61.2388 32.1886 176.2802 15 V 4.3487 8.1912 120.6947 60.9274 32.1345 175.0325 16 A 4.5412 9.4809 129.2146 50.8225 19.2207 175.0384 17 P 4.7503 0.0000 0.0000 63.0717 32.9359 174.6307 18 Y 4.7926 7.9060 117.9317 56.3681 41.9873 173.1844 19 V 5.0355 8.9627 120.6503 61.2986 33.4531 174.5348 20 R 4.6697 9.5521 129.1235 54.8381 32.7581 174.0661 21 H 4.6394 9.1192 127.0586 55.5260 29.4412 173.8983 22 C 4.7201 8.6957 120.2991 57.9864 31.1553 174.1991 23 G 4.3775 7.6720 106.6592 44.7531 0.0000 172.0378 24 V 5.0728 8.0283 121.1090 60.2041 34.6731 174.2093 25 H 4.9425 9.2939 120.1084 53.7964 33.2657 172.4550 26 K 4.5422 8.6939 123.5990 56.2537 33.1217 176.1553 27 V 4.2185 8.3196 126.5864 62.2188 34.6782 176.2543 28 G 3.8826 8.6997 117.0919 46.0619 0.0000 172.8333 29 T 4.2965 8.4911 108.0482 62.9962 69.6120 175.6987 30 D 4.6295 7.9610 118.6141 53.5990 40.9235 174.6457 31 G 4.2290 8.4271 108.3845 45.5098 0.0000 173.1753 32 V 5.2059 8.0133 111.0717 59.7597 36.6296 174.4268 33 V 4.8582 8.6643 122.3820 61.2812 34.5886 173.8820 34 N 5.4033 9.1568 125.0233 51.3147 41.6735 173.3506 35 K 5.0585 9.0201 124.5751 54.6506 35.0364 174.7108 36 F 5.2223 9.5219 125.5871 55.7468 42.8827 174.0759 37 D 4.9302 10.0449 123.7927 53.4142 42.3208 175.4567 38 I 4.4426 9.0362 129.5561 59.8972 38.0832 174.5172 39 R 4.5786 8.4796 128.5221 55.1965 30.1609 176.5419 40 F 4.6996 9.2906 126.1480 59.9461 39.8215 176.1011 41 C 4.9685 8.1669 114.3794 57.3869 30.9751 174.1513 42 Q 4.0463 8.6142 122.8367 55.4377 29.0177 174.0017 43 P 4.4173 0.0000 0.0000 64.5810 31.7921 175.5227 44 N 4.3170 9.0277 117.2450 53.9932 36.4118 174.8258 45 K 4.4808 8.2440 117.1517 57.2775 34.8621 176.5829 46 Q 4.5965 7.7380 113.8969 54.4144 32.7377 173.6007 47 A 4.6369 8.0180 119.3855 51.4480 22.0756 175.7931 48 M 4.4126 8.5399 119.5935 54.2326 33.8379 176.4652 49 K 4.2799 8.2816 119.4994 55.3245 33.7950 176.2441 50 P 4.1769 0.0000 0.0000 66.0492 31.2059 178.7134 51 D 4.4622 8.0042 117.0998 56.8018 39.2529 178.5530 52 T 3.8104 7.7902 116.6981 66.3228 68.4839 176.3901 53 I 3.7812 7.8776 123.2514 63.9654 37.1253 177.9505 54 H 4.2345 8.4711 119.1187 59.7656 29.7100 177.4867 55 T 3.8447 8.0418 117.6270 66.4692 68.2746 176.4566 56 L 3.8776 8.2280 122.5842 57.9127 41.9855 178.4049 57 E 3.8249 8.4580 119.3971 59.7454 29.5945 178.4855 58 H 4.1208 8.3687 115.8468 58.9496 28.8433 177.6753 59 L 4.0459 8.2360 120.8777 57.9099 41.4177 179.7326 60 L 3.9100 8.3376 118.8577 57.7194 41.3280 179.3492 61 A 3.9855 8.0191 119.7620 55.0957 17.7253 179.2848 62 F 4.3268 8.3848 119.2284 61.8635 39.3021 177.5803 63 T 4.1296 8.2154 109.3760 64.4948 68.8983 176.5068 64 I 4.0829 8.0443 123.0579 63.2710 37.6805 178.0018 65 R 3.9119 7.1978 119.0482 59.1046 30.0337 178.6121 66 S 4.1059 7.6301 112.4953 61.8336 62.5756 175.9518 67 H 4.2992 8.1277 117.3569 57.9053 28.6179 177.2707 68 A 4.2470 7.9913 122.8778 54.7403 18.0489 179.3218 69 E 3.9576 7.8447 116.0709 58.8608 29.4626 179.0119 70 K 3.9725 7.3617 117.0707 58.1927 32.2223 176.6837 71 Y 4.3785 7.2534 116.2449 56.8110 38.3787 175.5651 72 D 4.5085 8.7378 125.5496 56.8202 41.1220 177.4285 73 H 4.5753 8.5679 114.1048 57.1990 29.1128 174.6157 74 F 5.0739 7.1842 113.3332 55.7556 40.8390 172.8095 75 D 4.9709 8.8639 120.2863 52.5246 45.2314 174.9539 76 I 4.3456 8.4307 121.9042 61.5491 37.4714 175.6356 77 I 4.2913 8.4580 127.4654 62.9040 38.8899 175.6762 78 D 4.5381 7.4901 117.2548 53.5135 44.5087 174.6674 79 I 5.1590 8.5086 123.6696 59.6718 40.6688 174.2886 80 S 5.1470 9.5491 125.4138 55.9533 67.4115 171.7692 81 P 4.3223 0.0000 0.0000 62.7585 32.0967 175.8628 82 M 4.2894 8.3258 122.7023 53.9412 32.8690 178.4862 83 G 3.7738 8.2826 112.7835 45.5528 0.0000 174.2020 *85 Q 4.0956 8.0074 114.9690 55.4033 30.7216 176.9445 86 T 4.5408 7.8726 106.9482 60.5160 69.8443 174.6523 87 G 4.3528 6.3704 108.5920 46.5327 0.0000 170.8392 88 Y 5.0977 8.3434 116.0597 56.4232 42.8145 174.1570 89 Y 5.3257 9.2991 119.1898 56.3937 40.6953 174.5315 90 L 5.1527 9.1310 126.8134 53.4163 44.5313 174.9019 91 V 4.9113 9.1764 127.2831 61.4042 33.5913 174.9021 92 V 5.0078 8.7933 120.2194 59.6595 36.3303 174.3615 93 S 4.8283 9.4549 118.3192 58.4979 63.9932 174.8683 94 G 4.2804 9.2556 112.2643 46.2298 0.0000 172.3521 95 E 4.3331 8.3251 117.9270 56.0594 30.2440 176.1140 96 T 4.3019 7.7829 115.7693 60.7742 70.2042 171.8194 97 T 4.9267 7.6237 113.3436 59.0121 73.2079 174.7495 98 S 4.0327 8.8173 116.3739 61.6878 62.9087 176.7219 99 A 3.9738 8.0157 122.8140 55.3548 18.1134 179.2003 100 E 3.9459 7.9479 117.5103 59.4664 29.6464 179.0569 101 I 3.3186 7.7945 120.2895 63.9917 36.9576 178.6380 102 V 3.6603 7.8938 119.6206 65.9879 31.3723 177.8822 103 D 4.4102 8.0270 118.3967 57.2726 40.6870 178.4750 104 L 4.0726 8.0896 120.9561 58.2483 42.0884 179.0960 105 L 3.9326 8.1498 119.0714 57.3118 41.3997 179.1174 106 E 3.9677 8.3063 119.4666 59.5594 29.2588 178.6391 107 D 4.3355 8.1311 118.8912 57.4777 40.9438 178.9267 108 T 3.7433 7.8912 116.1879 67.0918 68.4943 176.6911 109 M 4.1418 8.5679 120.7175 58.1612 31.7111 178.9142 110 K 3.9537 8.2555 118.5620 59.2202 32.4191 178.6530 111 E 4.1122 7.9499 118.7447 59.1649 29.7493 178.2923 112 A 4.0522 8.0974 120.7974 55.5213 18.1483 179.9533 113 V 3.7135 7.9051 109.6322 64.0058 31.6225 177.8101 114 E 4.2742 8.0278 117.0452 56.6658 30.0616 176.9767 115 I 3.7978 7.0850 120.1016 62.1165 37.5408 175.8295 116 T 4.5445 8.4389 112.3736 61.1236 69.7919 173.7972 117 E 4.4270 7.7857 120.2900 54.6659 32.1053 174.5438 118 I 3.4952 8.3752 124.7318 60.5917 37.1751 173.7090 119 P 3.8417 0.0000 0.0000 63.6458 31.2951 176.3394 120 A 3.6465 8.3430 126.5095 53.3076 15.9970 176.5231 121 A 4.4166 7.6341 119.5454 53.3115 19.1437 177.8882 122 N 4.9602 7.6306 116.2323 52.1258 39.7458 175.5324 123 E 3.9253 8.7406 118.3538 59.5185 29.6530 178.9568 124 K 4.1033 8.1803 118.5369 58.5089 32.4241 177.0762 125 Q 4.5468 8.0860 114.7052 55.4313 29.9312 174.7907 126 C 4.9560 8.1388 118.3345 57.2631 34.0433 174.0667 127 G 3.7989 8.7231 113.5111 47.3214 0.0000 173.9603 128 Q 4.6251 7.5332 116.0566 55.1502 30.4142 173.7169 129 A 4.1949 8.2587 123.8630 54.4221 19.1556 179.5641 130 K 4.1276 8.0125 114.6933 59.3001 32.7798 178.1621 131 L 4.3700 7.4075 120.8624 54.7105 39.6799 175.2175 132 H 4.9276 7.4604 116.5307 54.4357 33.2788 174.0670 133 D 4.6224 9.1380 119.8314 52.0065 42.8613 175.3212 134 L 4.0307 8.2879 126.2741 57.8954 42.1393 177.9839 135 E 4.1051 8.2843 118.1495 58.9855 29.4717 179.3060 136 G 3.6224 8.7354 107.0470 47.2358 0.0000 175.5601 137 A 3.9907 7.9197 123.7688 54.7171 18.2900 179.9183 138 K 3.9510 8.2120 116.9841 59.4239 32.1185 179.2915 139 R 3.9274 8.2148 119.2165 59.7881 30.0159 178.4243 140 L 4.1832 8.0313 118.4055 58.3274 41.6141 179.6053 141 M 4.4563 8.3527 118.5974 58.3541 31.6735 179.0471 142 R 4.1086 8.3083 118.0383 59.0110 30.6143 178.4444 143 F 4.4533 8.6329 120.5987 61.0864 39.4441 176.8652 144 W 3.5933 8.6738 127.8006 60.4768 30.4568 177.8128 145 L 4.2262 8.5824 117.3578 56.7239 41.1389 178.6426 146 S 4.4046 7.5076 112.8505 58.4407 63.7518 174.4117 147 Q 4.0803 6.9039 121.6202 55.2238 29.6123 175.6723 148 D 4.5404 8.0866 119.8768 53.5516 43.0197 177.7628 149 K 3.7926 8.6291 123.7597 59.7035 31.9226 179.1861 150 E 3.9666 8.0747 116.0240 59.6385 29.6572 178.6701 151 E 4.0407 7.9867 118.9038 59.0851 29.5501 179.1005 152 L 3.8339 7.7780 118.8100 57.1108 41.3754 178.6801 153 L 4.4987 7.4556 116.3859 54.6108 43.1795 178.1745 154 K 4.3247 7.6585 120.5881 54.0171 30.5790 176.4818 155 V 2.8436 7.7361 123.6524 65.1164 31.5712 177.4134 156 F 4.6951 7.8843 114.7464 56.6115 39.2684 175.7151 157 G 4.1532 8.3835 116.5477 46.0564 0.0000 173.9938 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 8 E 8.44 4.38 0.00 2.01 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 2.24 2.27 0.00 9 L 7.87 4.47 0.00 1.64 1.51 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 10 D 9.52 4.65 0.00 2.78 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 11 H 8.75 4.22 0.00 3.24 3.44 0.00 5.75 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.47 4.54 0.00 2.95 2.92 0.00 0.00 6.91 6.64 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 13 A 8.15 4.40 1.49 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 14 V 7.68 3.66 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 0.49 0.00 0.00 1.13 0.00 0.00 15 V 8.19 4.35 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 0.81 0.00 0.00 1.04 0.00 0.00 16 A 9.48 4.54 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 17 P 0.00 4.75 0.00 1.36 2.20 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.15 0.00 18 Y 7.91 4.79 0.00 3.10 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 19 V 8.96 5.04 2.22 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 0.87 0.00 0.00 1.22 0.00 0.00 20 R 9.55 4.67 0.00 1.88 1.99 0.00 3.07 0.00 0.00 2.81 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.47 0.00 21 H 9.12 4.64 0.00 3.29 3.19 0.00 5.76 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.70 4.72 0.00 3.07 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.67 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.03 5.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.99 0.00 0.00 25 H 9.29 4.94 0.00 3.00 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.69 4.54 0.00 1.75 1.71 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.51 7.81 27 V 8.32 4.22 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 1.00 0.00 0.00 0.99 0.00 0.00 28 G 8.70 3.88 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 0.00 0.00 0.00 29 T 8.49 4.30 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 1.22 0.00 0.00 30 D 7.96 4.63 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 31 G 8.43 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.01 5.21 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 0.68 0.00 0.00 0.98 0.00 0.00 33 V 8.66 4.86 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 1.10 0.00 0.00 0.95 0.00 0.00 34 N 9.16 5.40 0.00 2.71 2.43 0.00 0.00 6.08 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 35 K 9.02 5.06 0.00 1.72 1.58 0.00 1.34 0.00 0.00 0.91 0.00 0.00 2.62 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.42 1.41 7.81 36 F 9.52 5.22 0.00 3.03 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 37 D 10.04 4.93 0.00 2.89 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 38 I 9.04 4.44 2.06 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 1.06 0.65 0.40 0.00 0.00 39 R 8.48 4.58 0.00 0.81 0.66 0.00 3.10 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.63 0.00 40 F 9.29 4.70 0.00 3.01 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 C 8.17 4.97 0.00 2.91 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 42 Q 8.61 4.05 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.02 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 43 P 0.00 4.42 0.00 2.38 2.14 0.00 3.98 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 44 N 9.03 4.32 0.00 2.88 2.90 0.00 0.00 6.80 7.61 0.00 0.00 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 K 8.24 4.48 0.00 1.74 1.81 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.54 7.81 46 Q 7.74 4.60 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 47 A 8.02 4.64 1.15 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 48 M 8.54 4.41 0.00 1.82 1.89 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.41 0.00 49 K 8.28 4.28 0.00 1.67 1.81 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.43 7.81 50 P 0.00 4.18 0.00 2.11 2.08 0.00 3.57 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 2.09 2.26 0.00 51 D 8.00 4.46 0.00 2.72 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 52 T 7.79 3.81 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 1.16 0.00 0.00 53 I 7.88 3.78 2.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.28 0.81 0.00 0.00 54 H 8.47 4.23 0.00 3.21 3.41 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.04 3.84 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 1.18 0.00 0.00 56 L 8.23 3.88 0.00 1.77 1.89 0.78 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.46 3.82 0.00 2.42 2.37 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 2.42 2.50 0.00 58 H 8.37 4.12 0.00 3.37 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.24 4.05 0.00 1.76 1.73 0.91 0.48 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 60 L 8.34 3.91 0.00 1.41 1.54 0.37 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.02 3.99 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 62 F 8.38 4.33 0.00 3.14 3.26 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 63 T 8.22 4.13 4.28 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 1.36 0.00 0.00 64 I 8.04 4.08 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 2.45 0.96 0.00 0.00 65 R 7.20 3.91 0.00 1.90 1.92 0.00 3.38 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 1.84 1.74 0.00 66 S 7.63 4.11 0.00 3.70 3.88 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 67 H 8.13 4.30 0.00 3.26 3.44 0.00 5.67 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 68 A 7.99 4.25 1.41 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 0.00 0.00 0.00 69 E 7.84 3.96 0.00 2.02 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 2.29 2.44 0.00 70 K 7.36 3.97 0.00 1.99 1.24 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.14 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.30 1.40 7.81 71 Y 7.25 4.38 0.00 2.07 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.74 4.51 0.00 2.69 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 73 H 8.57 4.58 0.00 3.49 3.61 0.00 5.46 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 F 7.18 5.07 0.00 3.34 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 75 D 8.86 4.97 0.00 2.63 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 76 I 8.43 4.35 1.91 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.78 0.95 0.00 0.00 77 I 8.46 4.29 2.07 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 1.22 0.86 0.93 0.00 0.00 78 D 7.49 4.54 0.00 2.78 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.51 5.16 1.89 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.12 0.91 0.00 0.00 80 S 9.55 5.15 0.00 3.87 3.78 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 81 P 0.00 4.32 0.00 1.89 1.80 0.00 3.84 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 1.98 2.05 0.00 82 M 8.33 4.29 0.00 1.81 1.85 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 1.94 0.00 83 G 8.28 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 *85 Q 8.01 4.10 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 86 T 7.87 4.54 4.45 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 1.27 0.00 0.00 87 G 6.37 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 88 Y 8.34 5.10 0.00 2.90 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 89 Y 9.30 5.33 0.00 2.98 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 90 L 9.13 5.15 0.00 1.83 1.67 0.98 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 91 V 9.18 4.91 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 1.01 0.00 0.00 0.96 0.00 0.00 92 V 8.79 5.01 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.95 0.00 0.00 93 S 9.45 4.83 0.00 3.91 3.79 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 94 G 9.26 4.28 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 0.00 95 E 8.33 4.33 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 96 T 7.78 4.30 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 97 T 7.62 4.93 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 1.28 0.00 0.00 98 S 8.82 4.03 0.00 3.98 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 99 A 8.02 3.97 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 0.00 100 E 7.95 3.95 0.00 2.02 1.85 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 2.20 2.58 0.00 101 I 7.79 3.32 1.43 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 -0.36 0.50 0.00 0.00 102 V 7.89 3.66 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 1.06 0.00 0.00 1.00 0.00 0.00 103 D 8.03 4.41 0.00 3.03 2.83 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 0.00 104 L 8.09 4.07 0.00 1.49 1.76 0.84 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.15 3.93 0.00 1.73 1.45 0.66 0.48 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 0.00 106 E 8.31 3.97 0.00 2.19 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 2.34 2.41 0.00 107 D 8.13 4.34 0.00 2.70 2.59 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 0.00 0.00 0.00 0.00 108 T 7.89 3.74 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 1.19 0.00 0.00 109 M 8.57 4.14 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 110 K 8.26 3.95 0.00 1.84 1.90 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.68 7.81 111 E 7.95 4.11 0.00 2.12 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 2.36 2.37 0.00 112 A 8.10 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.91 3.71 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 0.83 0.00 0.00 1.01 0.00 0.00 114 E 8.03 4.27 0.00 2.11 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 2.49 2.51 0.00 115 I 7.09 3.80 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.76 0.95 0.00 0.00 116 T 8.44 4.54 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 117 E 7.79 4.43 0.00 1.98 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 2.15 2.28 0.00 118 I 8.38 3.50 1.67 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 1.31 1.29 0.64 0.00 0.00 119 P 0.00 3.84 0.00 1.41 0.53 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.42 0.00 120 A 8.34 3.65 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 0.00 121 A 7.63 4.42 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 N 7.63 4.96 0.00 2.93 2.91 0.00 0.00 6.14 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 0.00 123 E 8.74 3.93 0.00 1.98 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 2.33 2.32 0.00 124 K 8.18 4.10 0.00 1.71 1.95 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.46 7.81 125 Q 8.09 4.55 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.39 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 126 C 8.14 4.96 0.00 3.17 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 0.00 127 G 8.72 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 0.00 128 Q 7.53 4.63 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 129 A 8.26 4.19 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 0.00 130 K 8.01 4.13 0.00 1.76 1.88 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.43 7.81 131 L 7.41 4.37 0.00 1.68 1.74 0.89 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 132 H 7.46 4.93 0.00 3.07 3.04 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 D 9.14 4.62 0.00 2.77 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 0.00 134 L 8.29 4.03 0.00 1.76 1.64 0.90 0.98 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 0.00 135 E 8.28 4.11 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 136 G 8.74 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 137 A 7.92 3.99 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 0.00 138 K 8.21 3.95 0.00 1.96 1.90 0.00 1.70 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.71 7.81 139 R 8.21 3.93 0.00 1.95 2.13 0.00 3.05 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 140 L 8.03 4.18 0.00 1.89 1.62 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 141 M 8.35 4.46 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.64 0.00 142 R 8.31 4.11 0.00 2.05 2.09 0.00 3.23 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 143 F 8.63 4.45 0.00 3.15 3.50 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 0.00 144 W 8.67 3.59 0.00 3.83 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 0.00 145 L 8.58 4.23 0.00 1.73 1.78 1.04 1.07 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 0.00 146 S 7.51 4.40 0.00 4.03 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 0.00 147 Q 6.90 4.08 0.00 1.54 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 1.96 1.66 0.00 148 D 8.09 4.54 0.00 2.67 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 0.00 149 K 8.63 3.79 0.00 1.76 1.85 0.00 1.67 0.00 0.00 1.94 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.48 7.81 150 E 8.07 3.97 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 2.23 2.37 0.00 151 E 7.99 4.04 0.00 2.01 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 2.32 2.26 0.00 152 L 7.78 3.83 0.00 1.74 1.57 0.46 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 153 L 7.46 4.50 0.00 1.80 1.72 0.93 0.71 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 0.00 154 K 7.66 4.32 0.00 1.90 1.81 0.00 1.84 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.65 7.81 155 V 7.74 2.84 1.48 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 -0.43 0.00 0.00 0.56 0.00 0.00 156 F 7.88 4.70 0.00 3.04 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 0.00 157 G 8.38 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 * Residues marked with a * may have inaccurate shift predictions.