NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2603 8.3144 119.9989 55.9820 33.9505 174.8903 2 E 3.8108 8.5542 120.4867 54.6134 30.0001 175.7978 3 T 4.1308 8.7758 118.5068 61.4281 72.0136 174.7948 4 A 4.0059 8.6311 124.1562 55.4871 18.4977 180.1056 5 A 4.1631 8.0012 118.5425 55.2787 18.5348 179.5920 6 A 4.0157 8.0517 119.4405 55.1221 18.3598 179.8043 7 K 4.0585 8.5262 118.6659 59.5129 32.1820 178.8398 8 F 4.1291 8.4322 121.0293 61.3273 39.3087 176.9691 9 E 4.0026 8.3577 118.0647 59.3918 29.0659 179.3430 10 R 3.8734 7.8872 117.4759 59.6665 30.3083 178.3094 11 Q 3.9837 8.0698 116.3096 57.9366 29.0520 176.2175 12 H 4.6090 8.0108 113.8741 53.6337 31.5420 172.8274 13 M 4.7249 8.0820 118.9150 53.4888 33.6788 176.7528 14 D 4.7843 8.8916 123.2486 53.3333 41.4457 175.7786 15 S 4.4707 8.7085 117.2439 60.5084 63.6637 176.1452 16 S 4.1111 8.1460 114.3440 61.7730 62.5164 175.4823 17 T 4.2431 7.5543 110.2542 60.4276 69.8372 173.9512 18 S 4.6295 8.3795 115.9205 59.6043 65.4848 174.6356 19 A 4.5818 7.2347 119.1409 51.4436 18.8334 178.2871 20 A 3.9239 8.3435 122.7709 52.9555 22.2787 176.1472 *22 S 4.2972 8.2336 113.3414 58.1684 63.8573 174.9694 23 S 4.3908 8.5634 114.5772 59.8438 63.4228 174.1321 24 N 4.7289 7.7091 119.3765 53.7158 39.3531 175.3763 25 Y 4.0540 7.9464 118.7974 62.0426 38.6575 177.5791 26 C 4.1015 8.3954 116.9771 60.0702 38.5633 175.7684 27 N 4.3891 8.2289 117.4952 56.5433 38.0859 177.3605 28 Q 3.8165 7.8490 118.9098 59.1628 28.8284 178.5323 29 M 3.8221 7.5957 121.2513 58.0477 31.7731 178.7725 30 M 3.9664 8.0699 119.1340 57.9529 31.9357 178.8631 31 K 4.0917 7.7495 121.2061 58.7468 32.4063 179.1337 32 S 4.0794 8.0962 114.0491 61.3663 63.0337 175.7324 33 R 4.2625 8.1939 117.4586 55.7307 29.7843 175.7932 34 N 4.2634 7.7024 114.3028 54.8260 36.5322 174.7444 35 L 4.6098 8.3040 115.8879 54.8907 42.2851 177.9678 36 T 5.4276 7.5154 106.6297 59.9761 69.0996 175.2695 37 K 3.9513 7.8093 122.2708 59.9606 32.5071 176.9696 38 D 4.4605 7.8038 121.0027 55.9321 42.2052 176.2911 39 R 3.7737 7.1343 113.0986 55.1856 31.5967 174.1928 40 C 4.8831 8.6137 116.6952 55.8053 40.3469 173.8390 41 K 4.1815 8.5601 127.3005 55.7876 32.3288 174.5920 42 P 4.6894 0.0000 0.0000 65.2610 32.3145 176.5889 43 V 5.0142 7.5716 116.7516 61.2570 34.6986 174.1417 44 N 4.7365 9.1081 124.2989 52.7910 42.4951 172.9134 45 T 4.8805 7.8874 121.2783 61.6471 71.8355 172.8334 46 F 4.8440 8.9409 124.1827 55.6358 42.1669 174.5287 47 V 4.5107 9.0388 122.9575 61.7409 33.3459 175.5560 48 H 5.6021 8.9897 123.3600 55.1820 30.0599 175.0411 49 E 4.2392 8.1400 118.5347 55.2575 30.5744 176.9800 50 S 4.3723 8.3005 114.9226 58.2447 64.9923 174.8965 51 L 3.9874 8.5319 124.2903 58.3084 41.8713 179.1091 52 A 3.9973 8.0016 120.1704 55.4771 18.1608 179.2184 53 D 4.3408 7.8784 116.0371 57.3897 41.1409 178.9935 54 V 3.7777 7.8390 118.7281 66.1633 31.6196 178.2053 55 Q 3.9262 8.6015 117.9739 58.7553 28.4587 178.5960 56 A 4.0127 8.0847 121.7244 54.7317 18.3306 179.6192 57 V 3.5727 7.6354 116.9263 66.0109 31.2641 176.8490 58 C 3.8228 7.7481 114.5494 57.7511 39.8932 174.0021 59 S 4.6521 7.6043 114.4779 57.8605 63.8300 174.6791 60 Q 4.0292 7.2449 120.7285 55.8126 30.7773 177.3104 61 K 4.2241 7.9447 130.5970 57.2511 33.0341 175.9892 62 N 4.4954 8.8149 127.6518 53.6962 39.5059 174.3134 63 V 4.5912 8.4581 118.3689 59.4530 36.8822 174.5878 64 A 4.3288 8.3779 124.5317 52.1612 19.2750 178.3180 65 C 4.6581 8.8194 118.8785 55.6267 41.5200 175.3954 66 K 3.8144 8.5070 121.3425 59.5945 31.5813 178.2148 67 N 4.5295 7.9944 113.2286 53.0417 37.6804 175.5793 68 G 4.0075 7.9755 108.0676 45.6204 0.0000 174.4966 69 Q 4.1563 8.3040 119.0639 56.4779 29.1743 176.6218 70 T 4.4917 8.3400 109.1970 61.6219 69.1637 174.0947 71 N 4.9600 7.8437 118.5811 53.6786 38.5037 174.7794 72 C 5.2634 7.4439 114.7668 56.7733 44.5847 172.7513 73 Y 5.1824 8.9026 118.5171 56.4229 42.1068 173.8956 74 Q 5.0763 9.1775 125.4014 54.1604 31.1771 174.9310 75 S 4.3287 8.8166 122.1285 58.7115 63.1567 174.3090 76 Y 4.5152 9.2866 121.6874 60.7623 37.8972 176.5296 77 S 5.0252 7.8268 113.8404 56.8097 65.3593 174.4270 78 T 4.1493 8.2247 111.5858 61.9833 69.9278 173.7323 79 M 4.9162 9.1242 122.0776 53.3196 36.7731 174.7558 80 S 4.8954 9.2840 117.4346 58.4736 63.5316 173.1076 81 I 5.1734 9.1217 120.4175 59.6198 41.9520 174.0984 82 T 4.9857 8.8457 118.3907 61.9933 72.0927 172.9400 83 D 4.9842 9.3455 127.5057 53.2949 42.7703 174.7834 84 C 5.5102 9.3252 122.1055 55.2435 41.6955 173.0167 85 R 5.1913 8.7755 123.3485 54.1553 33.0427 173.9353 86 E 4.1382 9.3697 128.4473 56.6174 30.2788 176.8574 87 T 4.2473 8.6065 116.5254 60.8703 69.8403 175.9360 88 G 3.5707 8.5423 110.9273 47.8181 0.0000 174.6217 89 S 4.5840 7.2491 112.8555 57.8067 63.3926 174.2963 90 S 4.1984 7.4597 116.4530 58.4114 62.9776 173.6303 91 K 4.4084 8.3241 126.3436 55.1233 35.0247 174.6224 92 Y 4.3915 8.7177 127.5545 57.6914 39.0628 174.3631 93 P 3.1568 0.0000 0.0000 63.3817 31.4510 177.2128 94 N 4.6278 7.5747 117.9999 51.9169 37.0131 172.0496 95 C 4.6022 8.2112 117.6775 56.2569 42.3440 172.9479 96 A 5.0877 8.7454 126.6267 50.3090 21.2291 174.6130 97 Y 5.1124 9.5937 119.7537 55.9973 42.1859 174.8854 98 K 4.5755 9.1539 123.8586 55.4159 34.1999 175.1117 99 T 4.8947 8.5831 124.0931 62.6801 70.2791 174.3459 100 T 4.5734 8.7172 122.2723 61.7422 72.0083 173.3806 101 Q 4.6845 8.8182 125.8760 55.9749 29.7513 175.4234 102 A 4.5801 8.8817 123.3443 51.2895 23.6060 175.1057 103 N 5.3526 8.7410 116.0762 51.5519 40.6182 174.0478 104 K 4.7935 8.7391 122.1443 54.5087 37.4447 175.6696 105 H 5.0472 9.0271 118.7872 55.8185 30.0657 174.8193 106 I 4.9671 8.6514 114.1953 59.1902 41.1268 174.2826 107 I 4.9345 8.2966 124.0326 59.7248 40.2421 175.1078 108 V 4.7610 8.6227 119.0803 59.3922 36.3674 174.3112 109 A 5.0037 8.7274 124.8714 51.0957 20.5851 175.7259 110 C 5.0919 8.5252 119.2130 55.3475 39.5783 172.9734 111 E 4.7074 8.7140 120.6451 56.7444 33.8231 175.7608 112 G 3.8666 9.1647 110.9511 44.8763 0.0000 171.6640 113 N 4.9539 8.2291 116.0219 50.6013 40.5036 172.1934 114 P 4.3381 0.0000 0.0000 62.7969 31.9455 176.0623 115 Y 4.9350 8.2750 121.4779 57.0488 38.4256 174.4229 116 V 4.4259 7.9813 119.2279 58.1015 36.6269 173.2957 117 P 4.4992 0.0000 0.0000 62.9474 31.1323 177.0944 118 V 4.4733 8.6128 115.2624 61.1560 33.7769 175.1389 119 H 5.0388 7.8467 119.5991 54.9322 33.4710 171.7214 120 F 4.7098 8.7191 127.5883 57.0187 39.5923 174.5226 121 D 4.5352 8.4827 127.3266 56.0484 41.8927 176.1170 122 A 4.4194 6.4032 118.9366 51.9350 21.4445 174.4719 123 S 5.1491 8.8244 114.0790 56.4934 65.4122 174.5886 124 V 3.9908 9.0170 123.3130 62.9794 31.4027 174.8936 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 1 K 8.31 4.26 0.00 1.89 1.91 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.45 7.81 2 E 8.55 3.81 0.00 2.04 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 2.38 0.00 3 T 8.78 4.13 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 4 A 8.63 4.01 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 5 A 8.00 4.16 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 6 A 8.05 4.02 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 7 K 8.53 4.06 0.00 1.94 2.04 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.46 7.81 8 F 8.43 4.13 0.00 3.26 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 9 E 8.36 4.00 0.00 2.33 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.70 0.00 10 R 7.89 3.87 0.00 1.81 2.08 0.00 3.37 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 11 Q 8.07 3.98 0.00 1.57 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.47 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 12 H 8.01 4.61 0.00 1.94 2.58 0.00 5.60 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 8.08 4.72 0.00 1.95 2.17 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.65 0.00 14 D 8.89 4.78 0.00 2.76 2.61 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 0.00 0.00 0.00 0.00 15 S 8.71 4.47 0.00 3.93 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 16 S 8.15 4.11 0.00 3.97 4.03 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 17 T 7.55 4.24 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 1.17 0.00 0.00 18 S 8.38 4.63 0.00 3.82 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.23 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.34 3.92 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 *22 S 8.23 4.30 0.00 4.07 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 23 S 8.56 4.39 0.00 4.04 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 24 N 7.71 4.73 0.00 2.88 2.84 0.00 0.00 6.69 7.44 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 25 Y 7.95 4.05 0.00 3.18 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 26 C 8.40 4.10 0.00 3.13 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 27 N 8.23 4.39 0.00 3.06 2.93 0.00 0.00 7.14 7.74 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 28 Q 7.85 3.82 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 29 M 7.60 3.82 0.00 0.90 1.25 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.41 0.00 30 M 8.07 3.97 0.00 1.64 1.78 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.38 0.00 31 K 7.75 4.09 0.00 1.78 1.90 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.31 7.81 32 S 8.10 4.08 0.00 3.97 4.02 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 33 R 8.19 4.26 0.00 1.94 2.13 0.00 3.64 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.92 0.00 34 N 7.70 4.26 0.00 2.89 2.92 0.00 0.00 6.82 7.92 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 35 L 8.30 4.61 0.00 1.78 1.62 0.79 0.49 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 36 T 7.52 5.43 4.42 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 1.41 0.00 0.00 37 K 7.81 3.95 0.00 1.77 1.82 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.49 7.81 38 D 7.80 4.46 0.00 2.62 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 39 R 7.13 3.77 0.00 1.81 1.66 0.00 2.95 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 1.43 1.54 0.00 40 C 8.61 4.88 0.00 3.08 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 41 K 8.56 4.18 0.00 1.91 1.79 0.00 1.76 0.00 0.00 1.61 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.42 7.81 42 P 0.00 4.69 0.00 2.15 2.11 0.00 3.62 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 2.13 2.11 0.00 43 V 7.57 5.01 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 0.80 0.00 0.00 0.97 0.00 0.00 44 N 9.11 4.74 0.00 2.65 2.28 0.00 0.00 6.76 7.28 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 45 T 7.89 4.88 3.00 0.00 0.00 0.00 0.00 0.00 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 46 F 8.94 4.84 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 47 V 9.04 4.51 2.14 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 1.12 0.00 0.00 1.04 0.00 0.00 48 H 8.99 5.60 0.00 3.19 3.45 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.14 4.24 0.00 2.01 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 2.36 2.28 0.00 50 S 8.30 4.37 0.00 4.07 4.02 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 51 L 8.53 3.99 0.00 1.82 1.74 1.01 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.00 4.00 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 53 D 7.88 4.34 0.00 2.84 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 54 V 7.84 3.78 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 1.23 0.00 0.00 1.10 0.00 0.00 55 Q 8.60 3.93 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 56 A 8.08 4.01 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 57 V 7.64 3.57 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 0.98 0.00 0.00 0.99 0.00 0.00 58 C 7.75 3.82 0.00 2.86 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 59 S 7.60 4.65 0.00 3.89 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 7.24 4.03 0.00 1.68 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.00 0.00 0.00 0.00 0.00 0.00 1.47 2.06 0.00 61 K 7.94 4.22 0.00 2.06 1.91 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.51 7.81 62 N 8.81 4.50 0.00 2.85 2.70 0.00 0.00 7.00 7.71 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 63 V 8.46 4.59 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 0.82 0.00 0.00 0.83 0.00 0.00 64 A 8.38 4.33 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 C 8.82 4.66 0.00 3.07 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 66 K 8.51 3.81 0.00 1.70 1.88 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.58 7.81 67 N 7.99 4.53 0.00 2.81 2.90 0.00 0.00 6.30 7.00 0.00 0.00 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 7.98 4.01 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 0.00 0.00 0.00 69 Q 8.30 4.16 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 70 T 8.34 4.49 4.18 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 1.18 0.00 0.00 71 N 7.84 4.96 0.00 3.06 3.14 0.00 0.00 6.05 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 72 C 7.44 5.26 0.00 2.95 2.87 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 73 Y 8.90 5.18 0.00 2.77 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 74 Q 9.18 5.08 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 75 S 8.82 4.33 0.00 3.91 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 76 Y 9.29 4.52 0.00 2.99 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 77 S 7.83 5.03 0.00 3.79 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.22 4.15 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 79 M 9.12 4.92 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 80 S 9.28 4.90 0.00 3.92 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 81 I 9.12 5.17 1.97 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 1.42 0.58 1.00 0.00 0.00 82 T 8.85 4.99 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 1.34 0.00 0.00 83 D 9.35 4.98 0.00 2.59 2.62 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 84 C 9.33 5.51 0.00 2.91 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 85 R 8.78 5.19 0.00 1.93 1.78 0.00 3.14 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 86 E 9.37 4.14 0.00 1.93 1.75 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 2.10 1.80 0.00 87 T 8.61 4.25 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 1.23 0.00 0.00 88 G 8.54 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 0.00 0.00 0.00 0.00 89 S 7.25 4.58 0.00 3.94 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 90 S 7.46 4.20 0.00 3.77 3.82 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 91 K 8.32 4.41 0.00 1.81 1.59 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.40 7.81 92 Y 8.72 4.39 0.00 2.92 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 93 P 0.00 3.16 0.00 1.74 1.36 0.00 3.52 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.38 0.00 94 N 7.57 4.63 0.00 2.92 2.72 0.00 0.00 6.93 7.09 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 95 C 8.21 4.60 0.00 3.13 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 96 A 8.75 5.09 1.14 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 97 Y 9.59 5.11 0.00 2.80 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 98 K 9.15 4.58 0.00 1.90 1.86 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.50 7.81 99 T 8.58 4.89 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 1.31 0.00 0.00 100 T 8.72 4.57 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 1.24 0.00 0.00 101 Q 8.82 4.68 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 102 A 8.88 4.58 1.22 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 0.00 0.00 103 N 8.74 5.35 0.00 2.57 2.75 0.00 0.00 6.69 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 0.00 104 K 8.74 4.79 0.00 1.75 1.79 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.43 7.81 105 H 9.03 5.05 0.00 3.22 3.23 0.00 5.55 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 0.00 106 I 8.65 4.97 1.78 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.31 1.12 0.00 0.00 107 I 8.30 4.93 1.66 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 1.15 0.72 0.79 0.00 0.00 108 V 8.62 4.76 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 0.67 0.00 0.00 0.79 0.00 0.00 109 A 8.73 5.00 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 0.00 110 C 8.53 5.09 0.00 2.06 1.65 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 0.00 0.00 0.00 0.00 111 E 8.71 4.71 0.00 1.98 1.69 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 2.23 2.30 0.00 112 G 9.16 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 0.00 0.00 0.00 113 N 8.23 4.95 0.00 2.66 2.71 0.00 0.00 6.92 7.69 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 0.00 114 P 0.00 4.34 0.00 2.23 2.05 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 115 Y 8.28 4.94 0.00 2.81 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 0.00 116 V 7.98 4.43 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 0.75 0.00 0.00 0.90 0.00 0.00 117 P 0.00 4.50 0.00 0.49 1.00 0.00 3.32 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 118 V 8.61 4.47 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 0.58 0.00 0.00 0.94 0.00 0.00 119 H 7.85 5.04 0.00 3.20 3.10 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.72 4.71 0.00 2.77 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.48 4.54 0.00 2.61 2.57 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 0.00 122 A 6.40 4.42 1.20 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 0.00 0.00 123 S 8.82 5.15 0.00 4.11 4.18 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 0.00 124 V 9.02 3.99 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 0.96 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.