NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.2662 8.0932 114.7854 57.9080 64.5666 174.2258 2 L 4.1133 8.4649 119.7600 57.3056 40.7724 178.4110 3 L 4.0529 8.4720 119.6468 57.6396 41.9640 179.0883 4 E 4.0455 7.9915 118.0942 59.3060 29.4730 178.8161 5 F 4.6703 8.3472 120.8210 61.5437 39.5188 177.3668 6 G 3.4990 8.3818 105.3559 47.6851 0.0000 175.5428 7 K 4.0329 7.9005 121.7767 59.3274 32.1871 178.6800 8 M 4.0938 8.1368 118.6413 58.5596 32.1060 178.2254 9 I 3.5588 7.7128 120.0420 64.1905 37.2053 177.9503 10 L 4.5145 7.6939 122.2798 57.7206 41.6985 178.6211 11 E 3.9718 7.7850 116.6367 59.7906 29.5393 178.8715 12 E 4.0603 8.1212 117.9557 59.2743 29.8909 178.3300 13 T 4.2037 8.7395 110.4603 62.3493 69.7304 175.4027 14 G 3.8471 8.3943 110.3134 45.1761 0.0000 173.1939 *16 K 4.5008 7.5226 116.8134 56.2830 33.4320 174.1654 17 L 4.6672 7.9019 119.4387 53.1911 43.2358 177.3770 18 A 3.9732 8.5572 127.2875 54.9828 18.4245 176.8672 19 I 4.7141 7.6305 114.7019 59.2190 38.9192 173.8939 20 P 5.3577 0.0000 0.0000 61.8687 31.7990 176.4105 21 S 4.2190 7.8305 116.0906 60.8834 62.6468 174.6419 22 Y 4.7782 8.0884 114.5731 57.4678 39.1329 176.2653 23 S 4.7107 8.1101 115.2649 59.5937 64.2855 175.1512 24 S 4.8648 7.7865 117.4566 57.2546 62.3224 172.6416 25 Y 4.9860 8.0594 121.5652 58.0883 41.0893 175.8027 26 G 3.7851 7.3893 114.4887 47.3549 0.0000 173.4229 27 C 4.7495 9.2842 116.3746 57.2425 36.5035 173.8353 28 Y 4.4186 8.5389 116.4994 58.6656 39.8765 175.2070 29 C 4.7562 8.2412 117.6543 58.4817 40.6403 173.4834 30 G 4.8173 9.4649 117.1914 46.4189 0.0000 173.8046 31 W 4.4586 8.2687 125.8070 55.7535 32.6700 177.7001 32 G 3.8250 8.5811 106.7280 45.4532 0.0000 177.2939 33 G 3.4964 8.2027 113.4329 46.5533 0.0000 175.2658 34 K 4.3313 8.3036 126.4767 54.3850 33.6775 174.0305 35 G 3.7696 8.6043 105.2498 45.1981 0.0000 172.7696 36 T 4.4605 8.0709 114.9945 60.6196 70.0101 173.0908 37 P 4.5625 0.0000 0.0000 62.9196 31.9036 176.5879 38 K 3.7996 9.8620 124.7071 59.0902 32.0511 176.8953 39 D 4.5046 7.5006 116.0369 50.7950 43.3401 175.5005 40 A 3.9635 8.6506 120.6694 56.1694 17.9536 179.9468 41 T 4.0247 7.9362 113.3384 66.7954 68.5384 176.3762 42 D 4.5684 8.3940 119.9179 57.2760 41.1331 178.4609 43 R 3.9957 8.3283 119.0909 59.0595 29.9269 178.2511 44 C 4.1968 8.0133 116.2668 59.9772 38.3233 175.4618 45 C 4.3458 8.0522 118.4138 59.7771 40.6872 175.7135 46 F 3.6733 8.3153 122.3259 61.3439 38.9674 177.3583 47 V 3.2487 8.0232 117.9847 66.0780 31.2294 177.4906 48 H 3.8617 8.2334 118.3328 59.1282 29.1348 177.0045 49 D 4.0844 8.5004 121.0721 57.5537 40.4262 178.1989 50 C 4.1246 7.6323 115.9786 59.6998 34.6766 175.1493 51 C 4.2550 7.7607 120.3440 59.9273 44.4267 175.3049 52 Y 4.2791 7.7165 118.3485 60.7851 37.1720 178.3605 53 G 3.6775 7.8829 105.6020 46.7773 0.0000 174.4166 54 N 4.7621 7.6527 116.4308 52.9447 40.2753 175.3493 55 L 4.7327 7.4530 120.3332 51.5987 41.9282 173.9559 56 P 4.2467 0.0000 0.0000 65.7490 31.8635 179.0540 *59 D 4.7850 7.7732 115.1842 54.3699 42.3791 175.8702 *61 C 4.8824 7.7488 114.8265 57.3074 37.2843 172.9555 *67 N 5.4786 7.9570 116.6760 52.4521 38.6888 173.3811 68 P 3.8111 0.0000 0.0000 65.4023 32.1270 178.9232 69 K 4.0275 8.0546 117.0526 58.6693 32.1062 178.6197 70 S 4.5577 7.8223 110.0081 57.8700 64.6355 173.2596 71 D 4.5478 8.4556 122.1324 53.3193 41.1410 175.8391 72 R 4.7894 8.6613 125.7481 55.2264 30.9798 175.1832 73 Y 5.0071 7.7616 118.4005 55.0613 41.4597 174.3020 74 K 4.9511 8.7034 118.7984 54.8370 35.0463 175.1080 75 Y 5.5336 8.4181 121.3611 55.3685 41.6668 173.7106 76 K 4.7109 9.5058 119.2320 55.3842 37.0511 174.7007 77 R 5.6173 8.5066 118.3503 53.8956 32.6508 176.6098 78 V 4.0336 8.5344 124.0456 61.8247 31.4542 174.7325 79 N 4.0702 9.7441 128.0389 54.0162 36.0059 174.5526 80 G 4.0473 8.3536 104.8898 45.2346 0.0000 173.5679 81 A 4.3123 7.7700 121.4809 51.7000 19.8934 176.6791 82 I 4.6491 8.2821 122.2760 60.2478 38.6882 175.4434 83 V 4.3542 9.2646 127.8660 61.0014 33.7266 174.0038 84 C 4.8833 8.8682 126.2620 57.1524 40.6587 173.4875 85 E 4.6576 8.9469 123.4005 54.5702 31.0969 176.3199 86 K 3.8100 8.5707 123.3376 56.8722 33.3283 175.9625 *88 G 4.2599 8.2886 114.3463 45.3529 0.0000 172.7506 89 T 4.1764 8.6633 113.0209 61.4221 70.9844 175.7230 90 S 4.1920 8.4906 116.5141 61.3469 62.9919 177.2876 91 C 4.2865 8.0790 120.3520 59.9797 36.3255 175.4422 92 E 3.9163 8.1827 120.2014 59.4185 29.0881 179.2790 93 N 4.2431 8.2611 116.5319 56.4805 38.7783 177.7845 94 R 3.9480 7.7891 118.9505 58.8787 30.1011 179.2877 95 I 3.6555 7.9729 120.1920 64.5212 37.1585 177.3114 96 C 2.9846 7.4926 119.1836 59.5627 39.4874 175.6194 97 E 3.7895 7.8101 119.3525 59.5864 28.9032 178.6522 98 C 4.2175 7.9021 116.0745 60.0216 36.4520 175.9055 99 D 4.0919 8.0126 120.3748 56.7421 40.4881 178.4512 100 K 3.7743 8.0862 120.0389 59.5081 31.9772 178.5937 101 A 3.8360 7.8856 120.4450 55.1100 18.2772 179.2490 102 A 3.3874 7.5207 119.1583 55.0860 18.2856 179.6680 103 A 4.1289 8.4726 119.2924 55.4286 18.4570 179.8365 104 I 3.5943 7.8688 118.4911 64.6693 36.9828 177.7163 105 C 4.1056 8.5292 118.8980 59.6897 40.3707 175.2395 106 F 4.5540 8.3686 120.0949 60.8952 38.3180 177.5173 107 R 3.9500 8.2093 117.0531 59.6913 29.8836 177.9897 108 Q 4.2160 8.1951 118.0231 57.8140 29.4677 175.7216 109 N 5.1850 8.1855 117.9267 52.9754 40.1901 176.9366 110 L 4.1237 8.3575 119.9763 58.1650 41.9258 179.4403 111 N 4.6254 8.3365 114.2243 55.6525 38.5374 175.4979 112 T 4.5938 7.5160 105.9124 61.0355 69.1311 173.2926 113 Y 4.0602 8.7615 125.3766 58.0544 39.3313 174.5592 114 S 5.0212 8.8796 122.1091 56.0983 64.6544 174.8976 115 K 4.1772 8.8542 127.2736 58.8823 31.9916 178.4865 116 K 4.0708 7.3834 116.2570 58.2968 32.8037 177.0657 117 Y 4.4316 7.1814 116.7394 58.0108 38.4013 175.4291 118 M 4.4210 7.5176 120.8168 56.2843 32.5009 175.8957 119 L 3.6716 8.5378 121.2948 55.4316 40.0709 174.3463 120 Y 3.9880 8.2602 118.9152 57.1091 39.3974 174.1933 121 P 4.3481 0.0000 0.0000 62.4828 32.4729 176.6916 122 D 4.3262 8.8150 121.1771 57.2975 41.4146 178.0747 *124 F 4.6065 7.8715 111.4780 56.8532 39.5254 175.7206 125 L 3.7179 6.3195 117.0923 55.8095 41.5104 176.9503 126 C 4.9497 8.4131 118.4557 54.6505 39.3669 172.4829 127 K 4.7116 8.6411 119.2784 53.5205 35.2794 177.1485 128 G 4.0698 7.6934 111.8215 45.6399 0.0000 170.6393 129 E 4.6218 8.2140 119.9621 54.0639 31.3717 175.4164 130 L 4.3159 8.2882 125.8553 53.7276 44.9395 174.8744 131 K 4.3082 8.5215 125.4834 55.4601 33.5184 177.1857 *133 C 4.8621 8.5299 120.6175 57.4803 41.5320 173.7290 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 S 8.09 5.27 0.00 4.18 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.46 4.11 0.00 1.84 1.88 1.12 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.47 4.05 0.00 1.68 1.72 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 4 E 7.99 4.05 0.00 1.85 1.70 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 1.61 2.29 0.00 5 F 8.35 4.67 0.00 3.31 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.38 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 0.00 0.00 0.00 7 K 7.90 4.03 0.00 2.06 2.14 0.00 1.86 0.00 0.00 2.00 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.64 7.81 8 M 8.14 4.09 0.00 2.33 2.10 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 9 I 7.71 3.56 1.79 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.23 0.65 0.00 0.00 10 L 7.69 4.51 0.00 1.76 1.82 0.99 0.74 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 11 E 7.79 3.97 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 12 E 8.12 4.06 0.00 2.16 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 2.40 2.38 0.00 13 T 8.74 4.20 4.27 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 1.25 0.00 0.00 14 G 8.39 3.85 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 0.00 0.00 0.00 *16 K 7.52 4.50 0.00 1.73 1.49 0.00 1.38 0.00 0.00 0.84 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.26 7.81 17 L 7.90 4.67 0.00 1.66 1.74 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.56 3.97 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 19 I 7.63 4.71 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.74 0.95 0.00 0.00 20 P 0.00 5.36 0.00 2.18 2.15 0.00 3.35 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 21 S 7.83 4.22 0.00 3.76 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 22 Y 8.09 4.78 0.00 2.85 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.11 4.71 0.00 4.12 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 0.00 24 S 7.79 4.86 0.00 4.03 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.06 4.99 0.00 3.00 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 26 G 7.39 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 0.00 0.00 0.00 27 C 9.28 4.75 0.00 3.01 3.04 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 0.00 0.00 0.00 28 Y 8.54 4.42 0.00 3.40 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 29 C 8.24 4.76 0.00 3.55 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 0.00 30 G 9.46 4.82 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 0.00 0.00 0.00 31 W 8.27 4.46 0.00 3.34 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 32 G 8.58 3.83 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 0.00 0.00 0.00 33 G 8.20 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 0.00 0.00 0.00 34 K 8.30 4.33 0.00 1.93 1.81 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.44 7.81 35 G 8.60 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 36 T 8.07 4.46 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 1.14 0.00 0.00 37 P 0.00 4.56 0.00 1.88 2.12 0.00 3.43 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 1.38 1.58 0.00 38 K 9.86 3.80 0.00 0.79 0.74 0.00 1.39 0.00 0.00 1.33 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.22 0.61 7.81 39 D 7.50 4.50 0.00 2.79 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 40 A 8.65 3.96 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 41 T 7.94 4.02 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 1.21 0.00 0.00 42 D 8.39 4.57 0.00 3.06 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 43 R 8.33 4.00 0.00 2.03 1.95 0.00 3.13 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 44 C 8.01 4.20 0.00 2.89 2.56 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 0.00 0.00 0.00 0.00 45 C 8.05 4.35 0.00 3.38 3.51 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 46 F 8.32 3.67 0.00 2.38 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 47 V 8.02 3.25 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 0.82 0.00 0.00 1.05 0.00 0.00 48 H 8.23 3.86 0.00 3.08 3.26 0.00 5.64 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 49 D 8.50 4.08 0.00 2.70 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 50 C 7.63 4.12 0.00 2.75 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 51 C 7.76 4.26 0.00 2.94 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 52 Y 7.72 4.28 0.00 3.01 2.80 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 53 G 7.88 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.65 4.76 0.00 2.87 2.83 0.00 0.00 6.75 7.13 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 55 L 7.45 4.73 0.00 1.62 1.52 0.89 0.82 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 56 P 0.00 4.25 0.00 2.15 2.11 0.00 3.62 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 *59 D 7.77 4.78 0.00 2.74 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 *61 C 7.75 4.88 0.00 2.91 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 *67 N 7.96 5.48 0.00 2.73 2.77 0.00 0.00 7.58 8.03 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 68 P 0.00 3.81 0.00 1.46 0.49 0.00 3.39 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 69 K 8.05 4.03 0.00 1.80 1.89 0.00 1.65 0.00 0.00 1.93 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.62 1.46 7.81 70 S 7.82 4.56 0.00 3.93 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 71 D 8.46 4.55 0.00 2.63 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 72 R 8.66 4.79 0.00 1.82 1.77 0.00 3.23 0.00 0.00 4.01 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.54 0.00 73 Y 7.76 5.01 0.00 3.01 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 74 K 8.70 4.95 0.00 1.79 1.86 0.00 1.62 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.38 7.81 75 Y 8.42 5.53 0.00 3.10 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 76 K 9.51 4.71 0.00 1.75 2.03 0.00 1.27 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.44 7.81 77 R 8.51 5.62 0.00 1.72 1.91 0.00 3.46 0.00 0.00 4.01 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.46 0.00 78 V 8.53 4.03 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 1.04 0.00 0.00 0.95 0.00 0.00 79 N 9.74 4.07 0.00 2.88 2.84 0.00 0.00 7.44 7.65 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 80 G 8.35 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 0.00 0.00 0.00 81 A 7.77 4.31 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 82 I 8.28 4.65 1.85 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 1.28 0.64 0.81 0.00 0.00 83 V 9.26 4.35 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 1.03 0.00 0.00 0.96 0.00 0.00 84 C 8.87 4.88 0.00 2.86 2.94 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 85 E 8.95 4.66 0.00 2.17 1.91 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 2.32 2.29 0.00 86 K 8.57 3.81 0.00 1.79 1.70 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.45 7.81 *88 G 8.29 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 0.00 0.00 0.00 0.00 89 T 8.66 4.18 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 1.27 0.00 0.00 90 S 8.49 4.19 0.00 4.05 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 91 C 8.08 4.29 0.00 2.98 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 92 E 8.18 3.92 0.00 2.34 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 0.00 2.61 2.67 0.00 93 N 8.26 4.24 0.00 2.86 2.81 0.00 0.00 7.00 7.21 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 94 R 7.79 3.95 0.00 1.80 1.93 0.00 3.09 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 95 I 7.97 3.66 1.86 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 1.14 0.51 1.03 0.00 0.00 96 C 7.49 2.98 0.00 1.84 2.82 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 97 E 7.81 3.79 0.00 2.10 1.90 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 2.38 2.43 0.00 98 C 7.90 4.22 0.00 3.30 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 99 D 8.01 4.09 0.00 2.78 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 0.00 100 K 8.09 3.77 0.00 1.80 1.91 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.41 7.81 101 A 7.89 3.84 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 0.00 102 A 7.52 3.39 1.04 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 0.00 0.00 0.00 0.00 0.00 103 A 8.47 4.13 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 0.00 104 I 7.87 3.59 2.01 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 1.38 0.42 0.87 0.00 0.00 105 C 8.53 4.11 0.00 2.78 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 0.00 106 F 8.37 4.55 0.00 3.08 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 0.00 107 R 8.21 3.95 0.00 1.78 2.18 0.00 3.34 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 108 Q 8.20 4.22 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.20 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 109 N 8.19 5.18 0.00 2.86 2.81 0.00 0.00 6.83 6.80 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 0.00 110 L 8.36 4.12 0.00 1.76 1.75 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.34 4.63 0.00 2.75 2.94 0.00 0.00 6.67 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.52 4.59 4.33 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 1.27 0.00 0.00 113 Y 8.76 4.06 0.00 2.98 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 0.00 114 S 8.88 5.02 0.00 3.96 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.85 4.18 0.00 1.89 1.89 0.00 1.76 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.69 1.60 7.81 116 K 7.38 4.07 0.00 1.64 1.72 0.00 1.28 0.00 0.00 1.46 0.00 0.00 2.33 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.79 0.21 7.81 117 Y 7.18 4.43 0.00 1.83 1.90 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 0.00 118 M 7.52 4.42 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.62 0.00 119 L 8.54 3.67 0.00 1.80 1.73 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.26 3.99 0.00 3.09 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 0.00 121 P 0.00 4.35 0.00 2.44 2.16 0.00 2.35 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.67 0.00 122 D 8.81 4.33 0.00 2.66 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 *124 F 7.87 4.61 0.00 3.25 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 0.00 125 L 6.32 3.72 0.00 1.26 1.58 0.39 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.41 4.95 0.00 3.09 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 0.00 127 K 8.64 4.71 0.00 1.81 1.78 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.55 7.81 128 G 7.69 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 0.00 0.00 0.00 129 E 8.21 4.62 0.00 1.92 1.83 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 2.21 2.25 0.00 130 L 8.29 4.32 0.00 1.47 1.21 -0.09 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.52 4.31 0.00 1.82 1.70 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.49 7.81 *133 C 8.53 4.86 0.00 2.98 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.