NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3720 8.3344 115.4043 57.3822 64.8836 173.3518 4 I 3.5192 7.5613 121.9621 59.5011 38.2120 174.2256 5 S 4.4475 9.1743 123.2984 57.6633 65.1015 173.5358 6 E 4.0397 8.7707 121.1802 59.7063 29.5479 180.0377 7 K 4.2370 7.5201 117.0560 57.1197 31.7720 178.3956 *9 V 3.9921 7.9174 118.6513 62.4174 33.2953 177.0642 10 E 3.9727 8.4482 119.8046 59.2888 29.4278 178.6035 11 A 4.0241 8.1671 120.8099 55.1900 18.3293 179.6607 12 L 4.0230 7.9007 117.0549 57.9718 41.6906 179.2192 13 N 4.4111 8.6048 116.8820 56.4533 38.4428 177.7032 14 R 4.0225 8.3186 119.5979 59.2841 30.1211 178.8904 15 Q 4.0344 8.3345 119.3736 58.8365 28.9036 178.1701 16 I 3.7908 8.2118 121.6064 64.4082 37.1025 177.7111 17 N 4.3870 8.4969 117.6220 56.8302 38.7038 176.7401 18 A 4.1360 8.2828 122.1416 55.1576 18.3784 179.5010 19 E 4.1100 8.5147 117.3785 59.4811 29.5506 179.4524 20 I 3.7496 8.2313 120.3037 64.5105 37.0332 177.8355 21 Y 4.0659 8.5068 120.6956 60.6963 38.6389 177.8836 22 S 3.8559 8.5813 116.3197 61.7659 62.9944 176.5309 23 A 4.2624 8.2059 123.0341 55.7551 18.1219 179.1199 24 Y 4.3620 8.2674 118.0051 60.5634 38.5975 177.6511 25 L 3.6440 7.6742 120.8379 58.4554 42.1856 178.4228 26 Y 4.5014 7.1745 115.0560 60.9459 38.1284 177.8523 27 L 3.9284 8.2320 121.5506 57.8404 41.8874 179.4717 28 S 4.0550 7.8138 111.1941 58.4518 62.1639 175.6656 *30 A 4.4646 7.9587 123.9423 51.8492 20.3645 179.8731 31 S 4.0934 7.9677 109.7491 61.4605 61.9927 175.6640 32 Y 4.0752 8.2109 122.2334 60.9152 38.5933 178.2226 33 F 3.7916 7.9012 118.1037 60.1754 39.0684 176.7116 34 D 4.3986 8.5328 118.4757 57.7112 40.7462 178.9077 35 S 4.2177 8.0366 113.2778 60.3362 62.9195 175.3963 36 I 4.2930 7.0470 114.6798 60.2582 37.6888 176.3220 37 G 3.8431 7.7694 107.0791 46.3129 0.0000 175.2035 38 L 4.5628 7.8754 121.5545 53.3791 41.1815 176.8374 39 K 4.2894 8.3688 123.8893 58.1830 32.4488 179.1080 40 G 4.1093 8.4081 108.0672 47.3706 0.0000 175.7914 41 F 3.8160 8.5498 118.8743 60.1075 38.8838 177.3738 42 S 4.4723 8.1563 113.7301 61.7992 62.9612 175.7391 43 N 4.5189 8.2956 119.5218 56.6059 38.4929 177.3075 44 W 4.2089 8.0020 126.4685 58.4207 30.7532 177.4604 *46 R 4.4246 7.9657 118.3622 55.8586 31.7891 178.0653 47 V 3.5507 8.2549 117.4722 66.0034 31.3507 177.9161 48 Q 3.6750 8.1085 119.5061 58.6530 28.8072 177.8211 49 W 4.4527 8.3653 128.9645 60.8544 30.5637 177.7282 50 Q 3.5574 8.1006 116.5144 58.9464 28.1918 178.4706 51 E 4.0295 8.1501 118.7728 59.3936 29.7729 178.9467 52 E 4.0743 8.5825 119.0907 59.0255 29.2393 179.9475 53 L 4.0992 7.3111 116.7371 55.2008 41.5979 178.0964 *55 H 4.9367 8.1454 116.8657 56.2150 30.4537 175.6332 56 A 4.1475 8.0406 116.4009 53.3931 17.6698 177.6451 *58 K 4.1357 7.9863 117.8913 57.5587 33.8793 177.0856 *60 F 4.6081 8.0100 120.4971 58.0576 41.0453 176.7835 61 D 4.4960 8.3592 119.8313 57.1879 40.5984 178.2998 62 F 3.7629 8.2343 121.1512 61.2263 39.2205 177.2145 63 V 3.2703 7.6628 117.2376 65.9746 31.2343 177.7600 64 S 4.0965 7.5539 113.5374 60.8476 62.0531 175.7051 65 E 3.8873 8.0518 120.9909 58.9448 29.3195 178.0404 66 R 4.0937 7.3319 115.6931 55.6985 30.1945 177.2620 67 G 3.7515 7.6789 107.1917 45.5245 0.0000 174.2011 68 G 3.7769 7.8820 109.6843 44.2665 0.0000 172.8818 69 R 4.5815 8.0234 119.2412 53.9874 31.6051 175.2946 70 V 4.1184 7.9262 124.9214 61.3024 32.1747 174.6488 71 K 4.3420 8.4825 127.9346 54.3471 33.9928 174.7710 72 L 4.4415 8.1326 126.0040 53.5230 43.0547 175.5516 73 Y 4.7018 8.1460 119.6681 55.3908 40.6309 175.1867 74 A 3.9734 8.5930 123.5048 53.0767 18.7245 177.2897 75 V 4.3247 8.1588 121.2482 61.0235 32.5948 175.7749 76 E 4.2629 8.7789 126.8953 55.6934 30.0865 176.3312 77 E 4.0831 8.6623 123.1253 56.1919 29.8891 175.3889 78 P 5.0157 0.0000 0.0000 60.4328 32.7216 174.0412 79 P 4.3146 0.0000 0.0000 62.8868 31.6094 176.5782 80 S 4.7795 7.8498 111.6618 56.7513 64.6728 173.9300 81 E 4.4909 6.8475 119.0304 54.1721 32.8491 174.6026 82 W 4.5688 7.3360 119.8640 54.5416 33.1338 176.2921 83 D 4.4166 8.8126 120.4439 57.4045 40.6870 176.9429 84 S 4.7970 7.3529 110.5467 56.7024 67.2343 174.7364 85 P 4.6286 0.0000 0.0000 65.6893 30.9652 178.4780 86 L 4.0511 8.1361 118.3639 58.4646 42.0266 178.8807 87 A 4.1177 8.2779 120.2432 55.0016 18.2466 179.3674 88 A 3.2139 8.3221 119.5146 55.3025 18.3911 179.9058 89 F 3.6316 8.5182 116.0998 60.2235 38.9037 177.9591 90 E 4.2001 8.5552 118.6169 59.6802 29.2284 178.8008 91 H 4.2970 8.4265 118.3923 59.1389 29.9344 177.4433 92 V 3.7439 7.8878 120.1453 66.2166 31.4054 177.1092 93 Y 4.2133 8.5565 119.5636 61.1912 38.6731 178.2609 94 E 3.9557 8.7402 119.4614 59.3040 29.4675 178.6579 95 H 4.1825 8.8716 118.9754 59.5934 29.8942 177.2160 96 E 4.0075 8.4810 120.2440 59.2098 29.2522 179.4941 97 V 3.6073 7.6054 118.4481 66.0239 31.5635 177.7742 98 N 4.3132 8.2049 116.2359 56.2935 38.3027 177.5341 99 V 3.5768 7.9065 119.7351 66.1958 31.5662 178.0484 100 T 3.7470 8.1921 115.9040 66.5919 68.3183 176.2348 101 K 3.9065 7.9969 121.2505 59.7567 32.1994 178.9466 102 R 3.9454 8.1041 118.1609 59.2504 29.8830 179.1351 103 I 3.6786 8.1416 120.0254 64.7957 37.1026 178.2389 104 H 4.2999 8.5001 117.3565 58.9353 28.2343 177.7729 105 E 4.0474 8.1007 119.8503 59.1693 29.3164 179.0056 106 L 4.1569 7.7372 118.5410 57.6103 41.7511 179.2794 107 V 3.8729 7.7929 117.2659 65.9606 31.6369 179.7234 108 E 4.2873 8.1106 116.5631 56.1606 29.5098 177.4044 *110 A 4.2072 7.8520 119.2243 52.3393 20.3289 179.2999 *112 Q 4.2293 8.1611 118.9505 57.4967 30.4341 176.3360 113 E 4.2264 8.1910 113.2703 55.6865 29.7265 176.1914 114 K 3.2756 7.6604 116.7434 57.1760 29.9034 176.2686 115 D 4.5069 7.6754 118.9424 53.2395 39.1772 175.3135 116 F 4.6478 7.8988 123.0652 59.8004 39.3285 176.6787 117 A 4.2801 8.2152 120.4261 55.5015 18.2371 179.6789 118 T 3.9951 8.5153 114.4122 66.7228 68.3409 176.2394 119 Y 4.0414 8.2145 120.7376 61.0134 39.0539 177.8714 120 N 4.5574 8.9432 117.5831 56.3320 38.5631 177.1231 121 F 4.1350 8.4548 122.1746 61.3658 39.3971 177.0606 122 L 3.9907 8.1356 117.9097 57.0687 41.3609 179.2893 123 Q 3.8829 7.6021 118.2726 58.2367 28.4247 178.1870 124 W 3.8012 7.7924 129.8907 60.6862 30.5831 177.6462 125 Y 3.7580 7.9035 116.0987 60.5316 37.2877 177.7844 126 V 3.4854 7.8639 119.1461 66.2277 31.4499 178.0834 127 A 3.8372 7.8048 120.1629 54.9453 18.1448 179.1667 128 E 3.4100 7.7372 118.1962 59.3352 29.4249 179.1497 129 Q 4.0264 8.2890 118.5680 58.5525 28.6801 178.6882 130 V 3.5573 7.4479 119.4341 66.1831 31.4734 178.0168 131 E 3.9519 7.8273 118.0701 59.2594 29.2584 179.0887 132 E 4.0208 8.5243 119.0428 59.5837 29.5679 179.2600 133 E 4.0640 8.4461 118.3370 59.5320 29.5359 179.4178 134 A 4.1154 8.0864 120.7124 55.2214 18.5366 179.9126 135 S 4.1295 8.5711 113.8113 61.7232 62.9231 176.8315 136 A 4.2490 8.3165 123.4982 55.0609 18.1643 179.4058 137 L 3.6513 8.6536 119.2990 58.3068 42.1827 178.3566 138 D 4.3305 8.1349 118.1743 57.8742 41.0645 178.9896 139 I 3.4099 7.4975 119.3827 63.9728 36.9056 178.6159 140 V 3.5597 7.8611 119.3538 66.0923 31.4745 178.0289 141 E 3.9484 8.3916 118.7098 59.2671 29.2074 179.4906 142 K 3.9715 8.1091 118.6285 59.4627 32.1844 179.4725 143 L 4.0280 8.0943 119.1513 57.5098 41.2310 179.7747 144 R 3.9879 7.8465 117.7929 59.0887 30.0776 178.5994 145 L 4.1309 7.6285 117.6613 57.6330 41.8439 179.3152 146 I 3.8355 8.1399 120.2111 62.7321 37.2664 177.5518 147 G 3.7466 8.1998 106.5819 47.2545 0.0000 174.3940 148 E 4.3318 8.8123 123.8654 55.7713 29.7033 175.4563 149 D 4.3671 7.9996 119.9576 54.2586 41.8029 176.6214 150 K 4.0161 8.6344 128.2124 59.5207 32.1966 179.4752 151 R 4.0122 8.0734 115.7653 59.1393 29.6511 178.5134 152 A 4.0224 8.6067 121.6277 54.7994 18.2792 179.3686 153 L 4.0758 7.7478 119.1163 58.2490 42.1128 179.1259 154 L 4.2604 7.9706 119.0062 57.4023 41.5107 179.2430 155 F 4.0319 8.4128 121.0834 61.1193 39.3479 177.0659 156 L 3.9096 8.2817 120.1206 57.9292 41.8859 178.3012 157 D 4.2228 8.6748 118.5574 57.3661 41.0930 178.2737 158 K 3.8704 8.1674 120.2076 59.3691 32.1056 178.3739 159 E 3.7321 7.8374 119.7344 59.1110 29.6577 178.7647 160 L 4.0817 7.8887 118.8147 57.3066 41.3507 179.2385 161 S 4.1544 7.3588 114.9737 61.6424 62.8394 176.1292 162 L 4.1931 7.6961 119.3691 54.9395 41.9427 177.4409 163 R 3.9487 7.3395 119.7987 56.4345 30.6064 176.2408 164 Q 4.2132 8.4660 122.5352 56.0987 29.2784 175.3339 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 4.37 0.00 3.96 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 4 I 7.56 3.52 1.79 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.12 0.83 0.00 0.00 5 S 9.17 4.45 0.00 4.00 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 6 E 8.77 4.04 0.00 2.01 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 2.38 2.24 0.00 7 K 7.52 4.24 0.00 1.98 1.76 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.38 7.81 *9 V 7.92 3.99 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 0.95 0.00 0.00 0.87 0.00 0.00 10 E 8.45 3.97 0.00 2.16 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 2.32 2.39 0.00 11 A 8.17 4.02 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 12 L 7.90 4.02 0.00 1.88 1.79 1.10 0.79 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 13 N 8.60 4.41 0.00 3.00 3.15 0.00 0.00 7.02 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 14 R 8.32 4.02 0.00 2.00 1.94 0.00 2.98 0.00 0.00 2.68 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.71 0.00 15 Q 8.33 4.03 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 16 I 8.21 3.79 2.14 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 1.72 0.77 1.07 0.00 0.00 17 N 8.50 4.39 0.00 3.09 3.05 0.00 0.00 7.15 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 18 A 8.28 4.14 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 19 E 8.51 4.11 0.00 2.25 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 2.71 2.65 0.00 20 I 8.23 3.75 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.79 0.92 0.00 0.00 21 Y 8.51 4.07 0.00 3.18 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 22 S 8.58 3.86 0.00 4.19 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 23 A 8.21 4.26 1.57 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 24 Y 8.27 4.36 0.00 3.07 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 25 L 7.67 3.64 0.00 0.91 1.15 0.97 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.17 4.50 0.00 3.23 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 L 8.23 3.93 0.00 1.02 1.45 0.09 -0.27 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 28 S 7.81 4.05 0.00 3.85 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 *30 A 7.96 4.46 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 31 S 7.97 4.09 0.00 3.91 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 32 Y 8.21 4.08 0.00 3.46 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 33 F 7.90 3.79 0.00 3.23 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 34 D 8.53 4.40 0.00 2.97 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 35 S 8.04 4.22 0.00 4.01 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 36 I 7.05 4.29 1.73 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.51 0.66 0.00 0.00 37 G 7.77 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 0.00 0.00 0.00 38 L 7.88 4.56 0.00 1.74 1.84 0.54 0.79 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 39 K 8.37 4.29 0.00 1.80 1.88 0.00 1.70 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.55 1.47 7.81 40 G 8.41 4.11 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 0.00 0.00 0.00 41 F 8.55 3.82 0.00 2.66 1.74 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 42 S 8.16 4.47 0.00 4.17 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 43 N 8.30 4.52 0.00 2.81 3.11 0.00 0.00 6.93 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 44 W 8.00 4.21 0.00 3.40 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 *46 R 7.97 4.42 0.00 2.15 2.16 0.00 3.28 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.64 0.00 47 V 8.25 3.55 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 0.93 0.00 0.00 1.02 0.00 0.00 48 Q 8.11 3.68 0.00 1.64 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 1.54 2.29 0.00 49 W 8.37 4.45 0.00 3.68 3.05 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 50 Q 8.10 3.56 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.57 0.00 51 E 8.15 4.03 0.00 1.80 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 2.27 2.48 0.00 52 E 8.58 4.07 0.00 2.03 2.28 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 2.80 2.86 0.00 53 L 7.31 4.10 0.00 1.54 1.41 0.64 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 *55 H 8.15 4.94 0.00 3.54 3.80 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.04 4.15 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 *58 K 7.99 4.14 0.00 1.72 2.06 0.00 0.66 0.00 0.00 0.85 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.64 1.31 7.81 *60 F 8.01 4.61 0.00 3.33 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 61 D 8.36 4.50 0.00 3.00 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 62 F 8.23 3.76 0.00 2.45 2.54 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 0.00 0.00 0.00 0.00 63 V 7.66 3.27 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 0.90 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.05 0.00 0.00 141 E 8.39 3.95 0.00 2.18 1.93 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 2.27 2.26 0.00 142 K 8.11 3.97 0.00 1.82 1.80 0.00 1.52 0.00 0.00 1.56 0.00 0.00 3.37 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.53 7.81 143 L 8.09 4.03 0.00 1.82 1.75 1.02 0.89 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 0.00 144 R 7.85 3.99 0.00 1.90 1.98 0.00 3.16 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 145 L 7.63 4.13 0.00 1.80 1.70 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 146 I 8.14 3.84 2.08 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.72 0.94 0.00 0.00 147 G 8.20 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 0.00 0.00 0.00 0.00 148 E 8.81 4.33 0.00 1.97 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 0.00 2.25 2.22 0.00 149 D 8.00 4.37 0.00 2.76 2.65 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 0.00 150 K 8.63 4.02 0.00 1.85 1.86 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.69 7.81 151 R 8.07 4.01 0.00 2.11 2.20 0.00 2.99 0.00 0.00 3.39 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 152 A 8.61 4.02 1.35 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 0.00 153 L 7.75 4.08 0.00 1.76 1.91 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 154 L 7.97 4.26 0.00 1.96 1.75 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 155 F 8.41 4.03 0.00 3.18 3.23 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 0.00 156 L 8.28 3.91 0.00 1.89 1.89 0.69 0.86 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 0.00 157 D 8.67 4.22 0.00 3.15 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 0.00 158 K 8.17 3.87 0.00 1.79 1.68 0.00 1.51 0.00 0.00 1.52 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.33 7.81 159 E 7.84 3.73 0.00 1.68 1.84 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 2.17 2.22 0.00 160 L 7.89 4.08 0.00 1.48 1.56 -0.62 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 161 S 7.36 4.15 0.00 3.95 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 0.00 162 L 7.70 4.19 0.00 1.78 1.68 0.90 0.83 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 0.00 163 R 7.34 3.95 0.00 1.82 1.79 0.00 2.49 0.00 0.00 2.67 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 164 Q 8.47 4.21 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.42 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.