NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4334 8.3344 115.2926 57.2937 63.5948 174.6222 4 R 5.2919 8.9567 129.5684 56.4236 29.4076 173.3769 5 L 3.9677 7.6347 119.0971 58.0311 43.1100 178.1750 6 K 4.1030 8.0456 119.1477 59.7302 32.3762 178.5306 7 T 3.9023 8.0480 115.3325 66.8722 68.3860 176.0009 8 A 4.1110 8.0394 122.3865 55.5749 18.2755 180.1201 9 V 3.7481 8.3897 111.0920 64.4446 31.5519 178.3461 10 Y 3.8487 8.3486 116.8359 61.2382 37.8860 178.0614 11 D 4.4786 8.2823 119.2254 57.6264 40.8337 178.1984 12 Y 4.2416 8.4223 120.1580 61.0335 38.5493 178.5330 13 L 3.7736 7.9606 118.4712 57.7214 41.9175 178.6959 14 N 4.6031 8.6295 113.0343 52.4158 39.8568 174.6111 15 D 4.2757 7.2391 119.3451 54.7935 39.5214 171.8819 16 V 4.3613 7.9149 119.1414 60.2430 33.6645 175.2811 17 D 4.4463 8.6574 126.0932 54.4463 41.2463 176.2497 18 I 3.5793 8.3791 123.8575 61.7750 37.9007 174.7722 19 T 3.6414 8.5816 107.9675 62.5430 67.3666 172.7255 20 E 4.6057 7.8449 117.4612 56.6760 32.8001 175.2133 21 C 4.3556 8.1060 120.1572 58.8329 31.8204 173.3838 22 T 4.0190 8.6677 118.0500 63.5434 68.9920 174.1288 23 E 4.5065 7.9419 121.9346 54.4452 31.7135 175.5608 *25 D 4.5009 8.7122 122.8735 54.1797 43.1785 177.1302 26 L 4.0176 7.7758 119.7165 57.7428 41.9972 178.3946 27 L 3.8692 8.0218 120.4665 58.6337 42.1108 178.1592 28 C 3.8068 8.1977 115.6070 63.4710 27.9786 175.9245 29 Q 3.9114 7.8340 117.6305 59.2502 28.3883 179.3764 30 L 3.7732 7.6710 119.5825 58.1856 41.7253 179.7843 31 S 3.7758 7.7721 112.4758 61.9022 62.2240 174.9074 32 N 4.3237 8.8896 119.6427 55.2615 37.9799 176.0630 33 C 3.8516 8.5960 119.7334 60.5847 40.3444 175.9227 34 C 4.0892 8.3354 118.0768 63.2284 27.6576 175.6296 35 D 4.3614 8.6930 120.1632 57.7218 40.5998 178.8203 36 F 3.9178 8.4491 120.9229 61.8630 39.4070 176.8341 37 I 3.8986 8.8617 119.5254 64.9254 36.7873 177.5538 38 N 3.7130 8.4840 117.4870 57.2455 38.7269 176.3247 39 E 3.9606 8.2592 120.5509 59.2865 29.4153 178.6558 40 T 3.8994 7.4787 108.9585 62.8991 69.3784 174.3055 41 Y 4.8050 7.6187 119.2668 57.2653 39.6817 177.3553 42 A 4.0808 8.0778 123.9508 55.9187 18.3358 180.3096 43 K 3.9828 8.1160 116.0545 60.1209 32.2429 178.7654 44 N 4.4390 8.4663 117.6649 55.7580 38.3801 177.2896 45 Y 3.8081 8.1180 117.7649 60.8603 38.4026 177.1162 46 D 4.4938 8.2023 120.2075 58.0188 40.9288 179.4210 47 T 4.0480 8.0960 109.7690 64.4212 68.7140 176.8808 48 L 3.9575 7.7313 121.0463 57.7191 41.7762 178.1381 49 Y 4.2061 8.5539 118.8262 61.2347 38.7336 177.7585 50 D 4.9338 7.8811 118.7992 56.8176 40.9705 179.0161 51 I 3.5789 7.1283 114.9551 62.7607 36.9203 176.2458 *53 E 4.0023 8.0709 122.8415 56.1848 31.2783 177.9876 54 R 3.9261 8.0484 116.3490 59.5494 30.3454 178.3384 55 D 4.4793 7.9249 118.0172 57.6967 40.6640 177.9352 56 I 3.7574 7.6856 118.9140 63.5024 37.4602 176.6860 57 L 4.1079 7.5818 118.4448 55.8870 42.3008 179.4108 58 S 3.9131 8.9153 112.2336 58.1894 63.0432 170.2131 59 Y 3.5371 7.7511 120.8012 58.6426 37.6178 172.0061 60 N 4.6900 8.6224 118.8302 51.8885 36.9152 173.3505 61 I 3.5702 7.8027 125.8652 63.9611 37.5289 177.6083 62 V 3.5579 7.6442 118.2033 66.2526 31.5256 177.7641 63 N 4.1841 8.1012 115.6946 56.1679 38.4908 177.4475 64 I 3.6635 7.7775 121.3204 64.2435 37.3058 178.2667 65 K 3.9983 8.2544 119.4630 60.0142 31.9192 179.1287 66 N 4.4545 9.0145 116.9667 56.5104 38.1030 177.6418 67 T 3.8724 8.4249 117.7558 66.3714 67.9797 176.0634 68 L 4.2909 7.9306 119.2093 56.3121 41.8008 178.6646 69 T 4.3403 7.5866 114.4010 65.1229 68.7905 176.2782 70 F 4.1176 7.8394 121.8661 61.8616 39.4151 176.3409 71 A 4.0752 7.5427 115.5362 53.0381 18.5115 179.9377 72 L 3.4415 8.3326 108.6835 57.7827 42.2189 179.9975 73 R 3.4697 9.5938 124.9936 58.5731 30.3900 178.8339 74 D 4.5456 8.3652 118.7178 54.2986 39.3913 175.3534 75 A 4.2477 7.4629 123.1690 51.5299 20.1083 178.1741 76 S 4.5155 8.0971 114.3191 56.9170 65.8269 173.4520 77 P 4.0969 0.0000 0.0000 65.8343 30.8866 179.1459 78 S 3.5737 7.3236 113.0796 61.2931 63.0411 177.0458 79 V 3.5939 7.5168 122.9645 63.9806 31.1495 177.9039 80 K 3.9193 7.8603 119.0630 59.2771 31.8966 178.4610 81 L 4.3613 7.6585 116.2969 56.4272 42.0974 178.2088 82 A 4.7584 7.7379 122.3664 54.9167 18.2130 179.3301 83 T 3.9545 8.8090 113.3379 66.7327 68.6978 176.6131 84 L 3.9580 7.7302 122.0975 58.4171 41.7271 178.9323 85 T 3.9605 8.4479 113.4312 65.1451 67.2899 175.2747 86 L 4.1216 8.7968 122.5310 58.6687 41.9621 178.5563 87 L 3.7141 8.3821 119.8301 58.1709 41.6127 179.0960 88 A 3.8641 7.8474 119.7457 55.2354 18.6041 179.5959 89 S 4.1849 7.8944 112.2524 62.0945 63.0465 177.0976 90 V 3.4903 7.7758 121.0316 66.3007 31.3352 178.1559 91 I 3.7624 7.9425 119.6141 64.0692 36.6329 178.6214 92 K 3.9645 8.0867 119.0727 59.4712 32.1004 179.1822 93 K 4.1929 8.0511 118.1026 59.5703 32.0983 179.0835 94 L 4.1702 7.9533 119.1307 58.1715 40.9654 179.4879 95 N 4.4870 8.4630 116.3546 56.1185 38.3221 176.9722 96 K 4.3410 7.7872 117.0725 57.7898 32.1547 177.5269 97 I 4.4305 7.1398 117.5898 61.0489 39.6313 175.4972 98 Q 4.4024 8.3123 116.6871 55.6076 32.5068 172.3881 99 H 4.0709 8.9835 124.2554 56.8590 30.1740 173.9603 100 T 4.4774 9.3189 123.2442 61.8021 71.1950 173.0365 101 D 4.5588 8.6845 126.5107 53.1230 42.1251 175.8522 102 A 4.1105 8.9718 129.1114 55.6004 18.9942 178.3012 103 A 4.4899 8.4391 121.1928 52.3911 17.7168 178.2298 *105 F 4.4446 7.8293 114.9370 57.2759 41.0974 178.1470 106 S 4.2598 8.0923 119.5075 61.9636 62.2646 175.9327 107 E 3.9475 8.1447 121.3921 59.2418 29.1681 178.9281 108 V 3.6107 7.8902 116.4010 66.2150 31.7396 177.4859 109 I 3.8433 8.1247 119.6190 64.6509 37.0001 178.0355 110 D 4.5279 8.4443 119.8293 57.5024 40.4665 179.2557 111 G 3.6948 8.1835 104.8413 47.2957 0.0000 175.3840 112 I 4.0360 7.7997 121.8488 63.7217 37.5178 177.8493 113 V 4.0145 7.6483 109.9218 60.8526 32.3334 176.3351 114 A 4.0194 7.2795 121.8319 53.5599 18.8926 176.7166 115 E 3.8250 8.8243 117.2080 56.8769 27.1401 176.6719 116 E 4.0033 8.2713 118.5526 59.8575 29.4554 178.0162 117 Q 3.9156 7.9645 119.7996 59.0458 29.3290 177.3829 118 Q 4.0435 7.7962 120.5666 59.2506 28.9510 178.7209 119 V 3.6272 7.7058 118.5940 66.1902 31.8518 177.6301 120 I 3.8065 8.1727 120.0118 64.6077 36.8606 178.1815 121 G 3.7152 8.5880 106.6279 47.9755 0.0000 175.0806 122 F 4.2567 8.3687 123.4832 60.9370 39.2029 177.3699 123 I 3.2824 7.4944 117.6067 64.8022 36.9556 178.0448 124 Q 4.0158 7.7390 117.8129 58.7376 28.6451 178.4420 125 K 4.1265 8.4422 120.6879 60.1097 32.9055 177.0612 126 K 4.6042 7.5098 118.5870 56.1057 34.2641 174.7014 127 C 3.6984 8.7110 115.5509 58.1678 41.4697 174.9037 128 K 3.0360 7.5293 117.2969 57.7286 35.7399 176.1558 *129 Y 4.3354 7.8665 121.2992 56.7983 37.4891 177.5993 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 3 S 8.33 4.43 0.00 3.88 3.28 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 4 R 8.96 5.29 0.00 2.08 1.96 0.00 3.24 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.99 0.00 5 L 7.63 3.97 0.00 1.82 1.68 0.95 0.67 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 6 K 8.05 4.10 0.00 1.96 1.87 0.00 1.85 0.00 0.00 1.91 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.79 1.79 7.81 7 T 8.05 3.90 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 1.30 0.00 0.00 8 A 8.04 4.11 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 9 V 8.39 3.75 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 0.97 0.00 0.00 0.89 0.00 0.00 10 Y 8.35 3.85 0.00 3.22 3.12 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 0.00 0.00 0.00 0.00 11 D 8.28 4.48 0.00 2.83 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 12 Y 8.42 4.24 0.00 3.14 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 13 L 7.96 3.77 0.00 1.66 1.62 0.73 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.63 4.60 0.00 2.73 2.92 0.00 0.00 7.11 8.27 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 15 D 7.24 4.28 0.00 2.61 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 16 V 7.91 4.36 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 0.93 0.00 0.00 0.98 0.00 0.00 17 D 8.66 4.45 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 18 I 8.38 3.58 1.89 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 1.50 0.48 0.93 0.00 0.00 19 T 8.58 3.64 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 20 E 7.84 4.61 0.00 2.11 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 2.25 2.24 0.00 21 C 8.11 4.36 0.00 2.98 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 22 T 8.67 4.02 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 1.23 0.00 0.00 23 E 7.94 4.51 0.00 2.01 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 2.30 2.37 0.00 *25 D 8.71 4.50 0.00 2.70 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 26 L 7.78 4.02 0.00 1.80 1.85 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.02 3.87 0.00 1.97 1.67 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.20 3.81 0.00 3.18 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 29 Q 7.83 3.91 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 30 L 7.67 3.77 0.00 1.75 1.15 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.77 3.78 0.00 3.87 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.89 4.32 0.00 2.81 2.70 0.00 0.00 6.58 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 C 8.60 3.85 0.00 2.74 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 34 C 8.34 4.09 0.00 3.15 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 35 D 8.69 4.36 0.00 2.84 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 36 F 8.45 3.92 0.00 3.08 3.27 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 0.00 0.00 0.00 0.00 37 I 8.86 3.90 2.18 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.21 1.07 0.00 0.00 38 N 8.48 3.71 0.00 2.62 2.86 0.00 0.00 7.41 7.62 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 39 E 8.26 3.96 0.00 1.73 1.71 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 2.49 2.30 0.00 40 T 7.48 3.90 3.75 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 0.21 0.00 0.00 41 Y 7.62 4.81 0.00 3.47 3.33 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 42 A 8.08 4.08 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 43 K 8.12 3.98 0.00 1.88 1.93 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.61 7.81 44 N 8.47 4.44 0.00 2.91 2.69 0.00 0.00 6.62 7.04 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 45 Y 8.12 3.81 0.00 3.28 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 46 D 8.20 4.49 0.00 3.01 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 47 T 8.10 4.05 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 1.26 0.00 0.00 48 L 7.73 3.96 0.00 1.69 1.71 0.82 0.56 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 49 Y 8.55 4.21 0.00 3.01 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 50 D 7.88 4.93 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 51 I 7.13 3.58 1.97 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 1.81 0.62 0.83 0.00 0.00 *53 E 8.07 4.00 0.00 1.98 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 2.21 2.03 0.00 54 R 8.05 3.93 0.00 1.78 1.96 0.00 3.41 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 55 D 7.92 4.48 0.00 2.61 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.69 3.76 1.69 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.26 0.87 0.00 0.00 57 L 7.58 4.11 0.00 1.75 1.64 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.92 3.91 0.00 4.17 4.20 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 59 Y 7.75 3.54 0.00 3.04 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 60 N 8.62 4.69 0.00 2.79 2.70 0.00 0.00 7.26 5.12 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 61 I 7.80 3.57 1.84 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.56 0.78 0.00 0.00 62 V 7.64 3.56 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 1.08 0.00 0.00 0.93 0.00 0.00 63 N 8.10 4.18 0.00 2.88 2.99 0.00 0.00 7.06 7.39 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 64 I 7.78 3.66 1.96 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.20 0.83 0.00 0.00 65 K 8.25 4.00 0.00 2.12 1.93 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.57 1.59 7.81 66 N 9.01 4.45 0.00 2.71 2.90 0.00 0.00 7.11 6.41 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 67 T 8.42 3.87 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 1.14 0.00 0.00 68 L 7.93 4.29 0.00 1.73 1.68 0.70 0.50 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 69 T 7.59 4.34 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 1.22 0.00 0.00 70 F 7.84 4.12 0.00 3.11 3.21 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 71 A 7.54 4.08 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 72 L 8.33 3.44 0.00 1.86 1.40 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 73 R 9.59 3.47 0.00 1.78 1.53 0.00 3.27 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.43 0.00 74 D 8.37 4.55 0.00 2.59 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 75 A 7.46 4.25 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.10 4.52 0.00 3.94 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 77 P 0.00 4.10 0.00 1.71 2.05 0.00 3.44 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 2.04 2.11 0.00 78 S 7.32 3.57 0.00 3.84 3.74 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 79 V 7.52 3.59 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 0.84 0.00 0.00 0.90 0.00 0.00 80 K 7.86 3.92 0.00 1.90 1.92 0.00 1.60 0.00 0.00 1.85 0.00 0.00 3.15 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.61 7.81 81 L 7.66 4.36 0.00 1.94 1.86 1.33 0.83 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 82 A 7.74 4.76 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 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.81 3.95 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 1.25 0.00 0.00 84 L 7.73 3.96 0.00 1.86 1.83 1.00 0.71 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 85 T 8.45 3.96 4.46 0.00 0.00 0.00 0.00 0.00 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 86 L 8.80 4.12 0.00 2.03 1.95 1.02 0.42 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 87 L 8.38 3.71 0.00 1.90 1.75 0.78 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.85 3.86 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 89 S 7.89 4.18 0.00 4.05 3.98 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 90 V 7.78 3.49 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 0.77 0.00 0.00 0.90 0.00 0.00 91 I 7.94 3.76 1.88 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 1.58 0.39 0.94 0.00 0.00 92 K 8.09 3.96 0.00 1.78 1.88 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.75 1.60 7.81 93 K 8.05 4.19 0.00 1.84 1.96 0.00 1.83 0.00 0.00 1.91 0.00 0.00 3.30 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.85 1.77 7.81 94 L 7.95 4.17 0.00 1.81 1.89 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.46 4.49 0.00 3.02 2.92 0.00 0.00 6.97 7.10 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 96 K 7.79 4.34 0.00 1.87 1.90 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.51 7.81 97 I 7.14 4.43 2.01 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 1.24 0.67 0.98 0.00 0.00 98 Q 8.31 4.40 0.00 1.78 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.61 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 99 H 8.98 4.07 0.00 3.14 3.28 0.00 5.92 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 9.32 4.48 4.34 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 1.36 0.00 0.00 101 D 8.68 4.56 0.00 2.65 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 0.00 102 A 8.97 4.11 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 0.00 103 A 8.44 4.49 1.50 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 0.00 0.00 *105 F 7.83 4.44 0.00 3.16 3.07 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 0.00 106 S 8.09 4.26 0.00 4.21 4.49 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 0.00 107 E 8.14 3.95 0.00 2.12 2.06 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 2.42 2.45 0.00 108 V 7.89 3.61 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.04 0.00 0.00 109 I 8.12 3.84 2.07 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.58 0.91 0.00 0.00 110 D 8.44 4.53 0.00 2.91 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 0.00 111 G 8.18 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.80 4.04 2.05 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 1.74 0.64 0.96 0.00 0.00 113 V 7.65 4.01 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 0.88 0.00 0.00 1.08 0.00 0.00 114 A 7.28 4.02 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 0.00 115 E 8.82 3.82 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 116 E 8.27 4.00 0.00 2.17 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 2.38 2.35 0.00 117 Q 7.96 3.92 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 118 Q 7.80 4.04 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 119 V 7.71 3.63 2.26 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 1.09 0.00 0.00 1.06 0.00 0.00 120 I 8.17 3.81 2.08 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 1.47 0.74 0.91 0.00 0.00 121 G 8.59 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 0.00 122 F 8.37 4.26 0.00 3.08 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 0.00 123 I 7.49 3.28 1.82 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 1.44 0.63 0.82 0.00 0.00 124 Q 7.74 4.02 0.00 2.31 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 125 K 8.44 4.13 0.00 1.70 1.84 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.46 7.81 126 K 7.51 4.60 0.00 1.69 1.68 0.00 2.04 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.33 7.81 127 C 8.71 3.70 0.00 1.39 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.53 3.04 0.00 1.57 1.43 0.00 1.47 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.12 1.31 7.81 *129 Y 7.87 4.34 0.00 2.10 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.