NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.3202 8.3349 115.4171 58.1414 64.2737 172.6979 9 K 4.0977 8.3058 120.5026 53.1595 31.3112 174.3099 *11 P 4.2487 0.0000 0.0000 61.9446 34.9294 175.5813 12 L 5.0225 7.6822 122.1097 54.0965 44.0536 174.5412 13 M 4.9969 9.1231 124.1578 53.3134 34.9998 174.6797 14 V 4.8780 8.2084 119.1777 61.1191 35.0118 174.3854 15 K 5.0495 8.9290 125.9960 54.6273 36.0614 175.3907 16 V 4.8212 8.9406 124.0274 61.1378 34.9817 174.0858 17 L 5.0526 8.9656 126.8749 52.9130 45.9067 174.7889 18 D 5.1664 8.9734 121.6555 52.8188 42.3764 176.6883 19 A 4.3015 9.2774 128.5490 53.8218 18.6689 178.6618 20 V 3.8812 8.7211 115.3661 65.2658 31.8806 177.2361 21 R 4.2581 8.4843 116.1297 55.7211 31.1578 175.9272 22 G 3.8614 8.2955 105.2625 45.5983 0.0000 172.2459 23 S 4.6864 7.2984 111.5042 56.1937 67.0420 173.1573 24 P 4.6096 0.0000 0.0000 62.7821 31.7278 176.6317 25 A 4.3899 8.6168 124.9226 50.3820 19.1538 176.6732 26 V 4.0796 8.4569 121.4320 63.0576 33.2725 175.1261 27 D 4.3815 8.5083 124.1148 55.3076 39.1036 174.0625 28 V 3.9655 7.7654 119.1723 62.3183 32.7702 174.8502 29 A 4.6673 8.6358 130.2599 51.7855 19.9286 175.9426 30 V 4.7677 9.0292 122.5867 60.9078 34.8117 174.3104 31 K 4.8152 8.9020 126.9905 54.4382 35.2139 175.1210 32 V 4.8262 8.8050 124.7762 61.1066 34.2358 174.3470 33 F 5.5404 9.4634 125.4948 55.5772 43.4633 173.6688 34 K 4.6704 9.0755 121.8890 54.1835 34.9867 175.1496 35 K 4.0118 8.6796 130.0283 56.3698 32.6498 176.9601 36 T 4.2737 8.5290 118.3527 60.3122 70.4250 175.9094 37 S 4.0301 8.5538 117.6528 61.6747 62.7409 176.3411 38 E 3.9230 7.9202 116.2348 57.7754 29.5130 177.4772 39 G 3.8701 7.6532 108.4726 45.0937 0.0000 172.9822 40 S 4.5649 7.7133 113.3405 55.7479 66.6067 172.6826 41 W 5.2851 8.4465 120.5452 55.5371 29.8705 175.7316 42 E 4.9584 8.9773 123.5167 53.6755 31.9447 173.8386 43 P 4.4996 0.0000 0.0000 63.5027 31.5228 175.0358 44 F 4.8122 8.9529 125.5500 59.4026 41.3980 174.8720 45 A 4.5471 7.6472 117.2771 51.4583 22.2737 174.8596 46 S 4.8675 8.0088 112.5075 57.7188 66.2717 173.6865 47 G 4.0390 8.2124 106.8460 46.2284 0.0000 172.0079 48 K 5.3429 8.5097 118.0011 54.2993 36.0896 176.8788 49 T 4.2039 8.4768 113.4033 61.7934 70.2304 174.8182 50 A 4.6256 8.8422 127.8622 51.1554 20.1501 177.7582 51 E 3.9524 8.7662 116.8359 59.7794 29.4011 179.0396 52 S 4.1632 7.9620 111.3391 59.1979 63.5513 175.1242 53 G 3.9000 8.6143 110.4636 44.7167 0.0000 172.4053 54 E 5.1220 7.8495 118.4062 54.1763 33.3444 174.8625 55 L 4.8875 8.8872 123.9713 53.8466 44.8522 175.2495 56 H 5.0119 8.8209 122.5636 54.0030 32.1618 173.9140 57 G 3.9121 8.7063 104.7381 46.7618 0.0000 175.3939 58 L 3.9916 8.0219 121.5694 57.4331 41.7744 176.6340 59 T 4.4304 7.1949 109.6579 61.3224 70.2118 171.2045 60 T 4.8126 8.0566 110.8926 59.4914 71.8595 174.4186 61 D 4.6193 8.6651 120.7242 57.1860 41.1803 178.2412 62 E 4.1450 8.4006 118.1703 59.1634 29.6111 177.9339 63 K 4.3299 7.6422 116.8819 58.2885 32.8768 177.0339 64 F 4.9853 8.5790 122.7283 57.2061 37.4437 174.6118 65 V 4.1293 7.5767 118.2375 58.9560 33.6118 175.3806 66 E 4.3186 8.0662 121.6789 55.8417 29.8051 176.4243 67 G 3.7678 8.0656 112.7218 46.4663 0.0000 170.7502 68 V 4.6142 7.2183 119.4404 61.6562 33.1379 174.2843 69 Y 5.1781 8.8052 125.3062 56.0769 41.7627 174.5492 70 R 4.7837 8.8056 121.8460 54.4939 33.1401 174.0894 71 V 4.7802 9.0837 127.0784 61.1557 33.9644 173.6303 72 E 4.9451 9.3341 129.7469 54.3861 32.1610 174.3096 73 L 4.7430 8.8457 127.8941 53.4083 43.4825 176.8058 74 D 5.2530 8.8231 125.7248 53.6571 37.8553 176.6974 75 T 3.9059 7.8381 114.5719 64.0886 69.3449 176.5878 76 K 4.1383 8.1230 122.0535 59.7682 32.4240 178.8719 77 S 4.2089 8.3314 115.0968 61.5088 62.3860 176.1276 78 Y 3.8690 7.7943 122.4578 60.5505 38.4786 178.3165 79 W 4.1487 8.1403 119.8097 59.7989 29.2868 178.8353 80 K 4.2542 8.2325 119.7727 59.1615 31.2054 179.5671 81 T 3.9365 7.7254 115.4389 65.8739 68.3276 175.5722 82 L 4.4657 7.0332 118.3678 54.0597 41.8204 177.2688 83 G 3.9362 7.8252 106.6699 45.7331 0.0000 173.3897 84 I 4.4206 8.0289 120.6609 59.1898 39.2301 175.1259 85 S 4.6782 8.6229 121.7057 56.7979 62.7258 172.3223 86 P 4.3844 0.0000 0.0000 61.1597 33.0459 176.1021 87 F 3.9005 8.2591 120.8889 61.1484 39.3376 175.7066 88 H 4.4077 7.8503 115.8860 54.9658 29.4737 175.5102 89 E 3.9528 8.4013 122.4185 59.3439 29.4534 176.4596 90 F 4.8595 6.8625 110.2898 57.0295 40.7414 173.0562 91 A 4.6241 8.6679 120.5512 50.0683 20.9089 175.0923 92 D 5.4719 9.0180 121.5429 51.7064 42.9783 175.6483 93 V 4.5448 8.8543 119.5658 61.2079 34.5781 174.2304 94 V 5.1578 8.5735 127.5433 61.1706 33.8986 174.3373 95 F 5.0821 8.6667 120.9325 56.1554 41.5109 173.2380 96 T 4.7674 8.7486 117.3402 63.2855 69.3930 173.9726 97 A 4.6532 8.7317 127.2960 50.5638 22.4688 175.8338 98 N 5.1992 9.4097 116.8063 54.0470 36.4824 175.0938 99 D 4.7369 8.3254 116.0914 53.7857 40.2454 176.1135 100 S 4.5976 7.9471 114.7644 58.1240 63.6597 174.2854 101 G 3.9569 8.2729 105.7018 46.0131 0.0000 173.0428 102 H 4.7859 8.3890 116.0530 55.8725 29.1435 175.2719 103 R 4.7955 9.1543 122.0183 54.7846 34.2675 174.1428 104 H 5.3296 8.7864 117.1807 54.6146 31.2795 173.8439 105 Y 5.1041 9.2472 119.9315 56.4623 41.6680 174.6047 106 T 4.9648 8.9592 119.9346 61.8509 72.0967 173.0412 107 I 4.6641 8.8173 127.7656 59.8770 38.8075 174.5107 108 A 5.2472 8.8839 129.7773 50.4430 21.3953 175.5020 109 A 5.1274 8.9685 121.7410 50.1909 23.4399 174.7957 110 L 5.0520 9.0618 123.3645 53.2647 44.8731 174.9673 111 L 5.4122 9.0557 126.6238 53.3133 44.1788 175.8485 112 S 5.2430 9.5159 118.9706 55.9774 66.9211 173.4512 113 P 3.0720 0.0000 0.0000 65.0742 31.0734 177.7649 114 Y 4.6549 7.8215 111.9033 57.3491 38.7292 175.0191 115 S 4.7194 7.8831 114.4913 57.2642 65.7333 172.3802 116 Y 5.5942 7.7742 123.1130 55.6410 41.0917 173.9882 117 S 4.9586 9.1348 114.7719 56.9682 66.5290 172.7484 118 T 5.1745 8.4834 115.0101 60.9667 70.4339 172.9139 119 T 4.8368 9.0302 123.4129 61.7286 73.0580 172.4157 120 A 5.0496 8.6045 125.9643 50.2354 21.3383 176.0426 121 V 4.2232 8.7530 123.0282 61.1058 33.6882 174.4575 122 V 4.6384 8.3883 128.1636 61.0214 33.3744 174.6025 123 S 4.7325 8.7071 121.6446 56.4058 66.9986 173.8785 124 N 4.4034 8.5225 117.7139 53.7951 38.7658 174.6934 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 S 8.33 4.32 0.00 3.99 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 9 K 8.31 4.10 0.00 1.85 1.85 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.51 7.81 *11 P 0.00 4.25 0.00 2.46 2.63 0.00 3.58 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.95 0.00 12 L 7.68 5.02 0.00 0.78 1.16 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.12 5.00 0.00 2.01 2.04 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 2.45 2.42 0.00 14 V 8.21 4.88 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 0.82 0.00 0.00 0.88 0.00 0.00 15 K 8.93 5.05 0.00 1.67 1.60 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.30 7.81 16 V 8.94 4.82 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 0.76 0.00 0.00 0.82 0.00 0.00 17 L 8.97 5.05 0.00 1.59 1.52 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.97 5.17 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 19 A 9.28 4.30 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 20 V 8.72 3.88 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 0.94 0.00 0.00 1.04 0.00 0.00 21 R 8.48 4.26 0.00 1.93 2.03 0.00 3.43 0.00 0.00 3.43 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 22 G 8.30 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 0.00 0.00 0.00 23 S 7.30 4.69 0.00 3.89 3.97 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 24 P 0.00 4.61 0.00 2.05 2.17 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 25 A 8.62 4.39 0.73 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 0.00 0.00 26 V 8.46 4.08 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 0.89 0.00 0.00 0.97 0.00 0.00 27 D 8.51 4.38 0.00 2.90 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 28 V 7.77 3.97 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 0.76 0.00 0.00 0.50 0.00 0.00 29 A 8.64 4.67 1.24 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 0.00 0.00 30 V 9.03 4.77 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 0.91 0.00 0.00 0.86 0.00 0.00 31 K 8.90 4.82 0.00 1.69 1.17 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.23 1.29 7.81 32 V 8.81 4.83 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 1.18 0.00 0.00 0.91 0.00 0.00 33 F 9.46 5.54 0.00 2.82 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 34 K 9.08 4.67 0.00 1.59 1.61 0.00 1.52 0.00 0.00 1.53 0.00 0.00 2.53 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.90 0.21 7.81 35 K 8.68 4.01 0.00 0.94 1.25 0.00 1.27 0.00 0.00 1.41 0.00 0.00 2.54 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.95 0.33 7.81 36 T 8.53 4.27 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 1.16 0.00 0.00 37 S 8.55 4.03 0.00 3.82 3.92 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 38 E 7.92 3.92 0.00 2.01 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 2.21 2.21 0.00 39 G 7.65 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 40 S 7.71 4.56 0.00 3.85 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 41 W 8.45 5.29 0.00 2.97 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 42 E 8.98 4.96 0.00 2.15 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 0.00 2.40 2.40 0.00 43 P 0.00 4.50 0.00 1.98 2.02 0.00 3.74 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 2.11 2.27 0.00 44 F 8.95 4.81 0.00 3.06 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 45 A 7.65 4.55 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 46 S 8.01 4.87 0.00 3.74 3.65 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 47 G 8.21 4.04 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 0.00 48 K 8.51 5.34 0.00 1.57 1.65 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.37 7.81 49 T 8.48 4.20 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 1.18 0.00 0.00 50 A 8.84 4.63 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 51 E 8.77 3.95 0.00 1.97 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 2.32 2.26 0.00 52 S 7.96 4.16 0.00 3.98 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 53 G 8.61 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 0.00 0.00 0.00 54 E 7.85 5.12 0.00 1.94 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 2.18 2.37 0.00 55 L 8.89 4.89 0.00 1.59 1.39 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.82 5.01 0.00 3.00 3.17 0.00 6.07 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.71 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 0.00 0.00 0.00 58 L 8.02 3.99 0.00 1.55 1.67 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.19 4.43 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 0.94 0.00 0.00 60 T 8.06 4.81 4.43 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 1.21 0.00 0.00 61 D 8.67 4.62 0.00 2.71 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 62 E 8.40 4.14 0.00 1.99 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 2.34 2.39 0.00 63 K 7.64 4.33 0.00 1.87 1.97 0.00 1.53 0.00 0.00 1.51 0.00 0.00 2.68 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.51 1.42 7.81 64 F 8.58 4.99 0.00 3.11 3.16 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 0.00 65 V 7.58 4.13 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 0.86 0.00 0.00 1.01 0.00 0.00 66 E 8.07 4.32 0.00 2.00 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 2.25 2.14 0.00 67 G 8.07 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 68 V 7.22 4.61 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 1.23 0.00 0.00 0.86 0.00 0.00 69 Y 8.81 5.18 0.00 1.93 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 70 R 8.81 4.78 0.00 0.67 1.04 0.00 2.21 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.99 0.00 71 V 9.08 4.78 2.21 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 0.97 0.00 0.00 1.12 0.00 0.00 72 E 9.33 4.95 0.00 1.84 1.73 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 2.02 1.74 0.00 73 L 8.85 4.74 0.00 1.49 1.46 0.80 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.82 5.25 0.00 2.79 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.84 3.91 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 1.13 0.00 0.00 76 K 8.12 4.14 0.00 2.19 1.93 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.57 7.81 77 S 8.33 4.21 0.00 4.05 3.93 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 78 Y 7.79 3.87 0.00 2.86 2.89 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 79 W 8.14 4.15 0.00 3.55 3.34 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 80 K 8.23 4.25 0.00 1.93 1.89 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.52 7.81 81 T 7.73 3.94 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 1.13 0.00 0.00 82 L 7.03 4.47 0.00 1.84 1.70 0.37 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.83 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 0.00 0.00 0.00 84 I 8.03 4.42 2.30 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.43 0.77 0.00 0.00 85 S 8.62 4.68 0.00 3.87 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 86 P 0.00 4.38 0.00 2.19 2.00 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.17 0.00 87 F 8.26 3.90 0.00 1.98 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 88 H 7.85 4.41 0.00 3.27 3.39 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.40 3.95 0.00 1.22 1.77 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 2.06 2.04 0.00 90 F 6.86 4.86 0.00 3.03 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 91 A 8.67 4.62 0.36 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 92 D 9.02 5.47 0.00 2.61 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 93 V 8.85 4.54 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 0.98 0.00 0.00 0.98 0.00 0.00 94 V 8.57 5.16 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 1.16 0.00 0.00 0.88 0.00 0.00 95 F 8.67 5.08 0.00 3.16 3.11 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 0.00 0.00 0.00 0.00 96 T 8.75 4.77 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 1.24 0.00 0.00 97 A 8.73 4.65 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 98 N 9.41 5.20 0.00 2.66 2.73 0.00 0.00 6.94 8.51 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 99 D 8.33 4.74 0.00 2.78 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 0.00 100 S 7.95 4.60 0.00 3.95 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 0.00 101 G 8.27 3.96 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 0.00 0.00 0.00 102 H 8.39 4.79 0.00 3.22 3.35 0.00 5.65 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 0.00 103 R 9.15 4.80 0.00 1.24 1.55 0.00 3.29 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 104 H 8.79 5.33 0.00 3.01 3.17 0.00 5.57 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 9.25 5.10 0.00 2.94 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 0.00 106 T 8.96 4.96 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 1.19 0.00 0.00 107 I 8.82 4.66 1.84 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 1.09 1.05 0.89 0.00 0.00 108 A 8.88 5.25 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 0.00 109 A 8.97 5.13 1.17 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 0.00 0.00 110 L 9.06 5.05 0.00 1.78 1.57 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 111 L 9.06 5.41 0.00 1.76 1.99 0.48 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 112 S 9.52 5.24 0.00 3.87 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 0.00 113 P 0.00 3.07 0.00 2.05 1.51 0.00 3.31 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.62 0.00 114 Y 7.82 4.65 0.00 2.76 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 0.00 115 S 7.88 4.72 0.00 3.76 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 0.00 116 Y 7.77 5.59 0.00 3.09 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 0.00 117 S 9.13 4.96 0.00 3.92 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 0.00 118 T 8.48 5.17 4.39 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 1.34 0.00 0.00 119 T 9.03 4.84 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 1.21 0.00 0.00 120 A 8.60 5.05 1.13 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 0.00 0.00 121 V 8.75 4.22 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 0.99 0.00 0.00 0.92 0.00 0.00 122 V 8.39 4.64 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 0.48 0.00 0.00 0.93 0.00 0.00 123 S 8.71 4.73 0.00 3.82 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 N 8.52 4.40 0.00 2.65 2.68 0.00 0.00 6.86 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 * Residues marked with a * may have inaccurate shift predictions.