NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6217 8.3649 120.3204 53.4698 40.5729 175.0250 5 L 4.4725 8.3329 118.9529 52.8917 42.1722 175.6452 6 S 4.3151 7.6794 114.2419 58.8362 64.5939 174.5926 7 G 4.0875 8.5181 105.6982 45.1391 0.0000 173.3042 8 T 3.9419 8.2602 115.0386 64.1352 68.9964 173.8163 9 W 5.0143 8.5719 125.7753 55.7010 31.4991 174.7699 10 Y 5.0664 9.1695 121.8778 56.4603 40.0639 175.3784 11 V 5.0970 9.0588 116.8434 59.6746 36.7130 174.1468 12 L 5.1785 8.6476 121.0278 53.6965 43.5414 175.6550 13 E 4.8748 9.2401 123.8917 54.3432 33.1537 173.1314 14 G 4.1083 9.1747 113.2512 44.8495 0.0000 177.3068 15 D 4.5035 9.4959 125.0241 52.7690 41.3031 173.6949 16 P 4.5065 0.0000 0.0000 65.0040 31.2170 176.1404 17 G 3.9450 9.1963 111.5753 44.9898 0.0000 173.2510 18 E 4.3012 8.3219 118.5168 55.3248 28.6820 175.2452 19 H 5.2807 8.1279 121.6952 53.6633 30.4138 175.0167 20 L 4.2482 8.5306 123.9011 55.3126 42.9444 175.6032 21 V 4.7749 8.5094 126.0369 61.0508 34.1455 174.5744 22 V 4.4600 9.5265 128.0088 61.1178 34.8302 173.9874 23 E 5.3063 9.0085 126.4996 54.5792 30.5785 175.0010 24 A 4.4503 8.4875 125.9634 51.7953 22.0765 175.3159 25 L 3.5684 9.2340 116.2991 55.7404 39.0700 175.3257 26 G 3.8806 8.7286 103.5959 46.0367 0.0000 173.3459 27 E 4.5021 7.9103 118.8703 54.9595 32.9732 173.3269 28 R 4.8058 8.3665 119.5953 54.8362 31.4451 175.8308 29 L 5.4438 9.1975 124.3613 52.3972 44.8921 176.1017 30 S 5.2928 7.6175 115.8247 56.0079 66.0654 172.3162 31 G 3.6957 8.4815 103.7535 44.8665 0.0000 172.4982 32 I 4.6815 7.1932 121.5985 58.8679 41.2669 174.2610 33 W 5.0514 9.6563 126.5337 54.9618 32.1034 176.3867 34 T 4.7514 10.1641 114.3885 61.8229 68.8897 175.1845 35 S 4.3358 7.6045 115.7874 56.3288 66.7318 175.2452 36 R 3.2431 7.1694 123.5719 59.3599 29.6739 178.7765 37 E 3.8508 7.7881 117.8123 59.4381 29.5529 179.1700 38 L 3.9689 7.8083 118.6853 57.6598 41.6419 179.5383 39 A 2.8049 7.8644 120.7681 54.8527 18.3268 179.6233 40 E 3.9080 8.5101 117.3039 59.0528 29.2046 179.4350 41 A 3.8191 7.8860 120.6633 55.1366 18.9110 179.0938 42 F 4.1558 7.8971 119.1549 61.2728 39.4066 176.9797 43 L 3.8083 8.1680 120.1880 58.1158 41.6418 178.8357 44 A 3.9400 8.0893 119.8647 54.7918 18.3007 178.2715 45 H 4.6872 7.3321 111.8248 55.6454 30.4337 175.7311 46 H 4.6274 7.5264 117.7566 53.5346 29.1435 170.5261 47 P 4.3956 0.0000 0.0000 62.5360 33.1023 177.0549 48 H 4.4478 8.5606 111.3178 56.9222 25.9011 175.5562 49 L 4.4854 7.5200 116.7224 53.7374 42.1555 176.4281 50 G 3.7218 7.6926 109.3624 45.8543 0.0000 172.7341 *52 R 4.1098 7.3565 118.0788 56.2465 31.8447 176.1868 53 V 4.3670 8.2918 113.7089 61.3346 32.6492 175.5431 54 S 4.8282 9.7592 119.6468 56.4037 65.5552 172.1941 55 A 4.6560 8.6544 128.1763 50.5428 20.6831 176.8582 56 L 4.3664 8.7875 123.7278 53.2228 41.6413 177.0589 57 E 3.8694 8.5461 123.7513 57.7989 30.3089 177.9249 58 S 4.5987 7.4424 113.3321 56.4585 66.5180 175.0643 59 R 3.6200 8.1237 120.7290 59.2713 29.8118 177.9314 60 A 3.9346 7.8615 120.1006 55.3466 18.4304 179.5074 61 L 3.9970 7.8616 117.3545 57.8050 41.6806 179.9125 62 K 3.8888 7.8076 118.5400 59.1697 31.8206 179.0487 63 E 3.8750 8.3748 119.6403 59.3425 29.5891 178.7114 64 A 4.0446 8.4512 121.2340 55.2123 18.3357 178.9639 65 Y 4.0866 8.2194 118.0492 60.9353 38.9314 178.3575 66 L 3.8281 8.0292 119.8020 57.7628 41.5060 179.6075 67 R 3.8745 7.8082 116.6631 59.3540 30.1179 178.6392 68 A 4.1140 7.8963 119.2153 55.1663 18.6544 179.3824 69 L 4.0611 7.8083 117.6563 57.4226 41.5462 180.0619 70 G 3.8812 7.7718 104.8423 44.8797 0.0000 174.9041 *72 L 4.2372 7.8423 119.3851 52.9255 43.6657 176.6559 73 Q 3.4195 7.8122 116.5475 56.9703 26.5140 173.8348 74 V 4.2158 8.1254 117.1138 61.5784 33.1256 174.6811 75 E 4.7130 8.1514 124.9917 55.9220 31.1266 175.0638 76 A 4.9364 7.3993 120.0981 50.8948 22.4535 175.7241 77 V 4.5566 8.4044 115.4866 59.2665 36.0336 175.7945 *79 V 3.6900 8.4219 126.1040 65.0146 32.4530 175.3260 80 D 4.2843 8.1661 128.0826 55.3171 38.9288 173.7167 81 Y 4.1472 7.2778 118.2182 57.6811 39.8259 174.4566 82 R 4.3708 6.9030 120.1322 54.9510 31.3552 173.1047 83 P 4.2467 0.0000 0.0000 62.8624 29.2719 175.7357 84 G 4.1546 7.8986 111.3955 43.7992 0.0000 170.2337 85 T 4.3145 8.3194 111.4045 62.3379 68.5014 174.0152 86 H 4.7421 7.9495 117.6482 53.9380 30.2216 175.0262 87 R 3.8790 8.5303 118.6973 56.1621 29.5444 176.3831 88 A 3.9616 8.5242 124.8891 52.7687 18.8816 176.7534 89 Q 4.4620 8.4491 118.9753 54.5162 29.8987 175.2713 90 V 4.4790 8.3238 124.4231 60.9036 33.4163 174.4416 91 A 4.7909 8.7309 130.1146 49.9541 21.8514 175.9242 92 R 4.3963 8.3927 120.7735 55.6726 31.2367 178.1369 93 V 3.5479 8.4139 121.7423 65.9902 31.0188 178.4750 94 K 3.9007 8.1735 118.9480 59.5408 32.0310 178.3559 95 D 4.8713 7.7841 120.1156 56.5611 40.8555 178.4948 96 L 4.1208 8.0585 119.6261 57.7870 41.3888 179.5012 97 L 4.0896 8.1247 118.3402 57.4356 41.8251 179.2071 98 E 4.1792 7.6134 119.1167 59.1752 29.6778 178.5738 99 E 4.1151 8.2002 118.5357 59.7920 29.7176 179.8917 100 V 3.8981 8.2842 112.1051 63.9797 31.3888 177.8959 101 R 4.2353 7.7678 115.9510 57.2493 30.1120 177.7604 102 R 4.2309 8.2845 118.0862 57.2138 30.5388 176.1160 103 A 4.2017 7.5689 125.8718 52.1654 18.8840 176.7784 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 4 D 8.36 4.62 0.00 2.85 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 5 L 8.33 4.47 0.00 1.90 2.21 0.38 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.68 4.32 0.00 4.03 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 7 G 8.52 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.26 3.94 4.13 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 0.63 0.00 0.00 9 W 8.57 5.01 0.00 3.09 2.85 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 10 Y 9.17 5.07 0.00 3.20 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 11 V 9.06 5.10 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 0.37 0.00 0.00 0.78 0.00 0.00 12 L 8.65 5.18 0.00 1.89 1.73 0.76 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 13 E 9.24 4.87 0.00 2.04 1.82 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 2.23 2.19 0.00 14 G 9.17 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 15 D 9.50 4.50 0.00 2.63 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 16 P 0.00 4.51 0.00 2.18 2.11 0.00 3.77 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 2.01 2.01 0.00 17 G 9.20 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 18 E 8.32 4.30 0.00 2.12 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 0.00 2.49 2.32 0.00 19 H 8.13 5.28 0.00 3.26 3.48 0.00 5.95 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.53 4.25 0.00 1.93 1.72 1.04 0.96 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 21 V 8.51 4.77 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 0.84 0.00 0.00 0.95 0.00 0.00 22 V 9.53 4.46 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 0.92 0.00 0.00 0.96 0.00 0.00 23 E 9.01 5.31 0.00 1.88 1.88 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 2.22 2.13 0.00 24 A 8.49 4.45 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 25 L 9.23 3.57 0.00 1.78 1.75 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.73 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 0.00 0.00 0.00 27 E 7.91 4.50 0.00 1.98 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 2.17 2.25 0.00 28 R 8.37 4.81 0.00 1.88 1.82 0.00 3.12 0.00 0.00 3.43 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 29 L 9.20 5.44 0.00 1.50 1.41 0.88 0.78 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 30 S 7.62 5.29 0.00 3.83 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 31 G 8.48 3.70 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 0.00 0.00 0.00 32 I 7.19 4.68 1.33 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.56 0.35 0.00 0.00 33 W 9.66 5.05 0.00 3.50 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 0.00 34 T 10.16 4.75 4.35 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 1.36 0.00 0.00 35 S 7.60 4.34 0.00 3.91 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 R 7.17 3.24 0.00 1.31 1.64 0.00 3.20 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 37 E 7.79 3.85 0.00 1.96 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 2.34 2.32 0.00 38 L 7.81 3.97 0.00 1.99 1.96 1.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.86 2.80 1.23 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 0.00 0.00 40 E 8.51 3.91 0.00 1.92 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 2.27 2.41 0.00 41 A 7.89 3.82 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 42 F 7.90 4.16 0.00 2.99 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.17 3.81 0.00 1.82 1.67 0.88 0.90 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 44 A 8.09 3.94 1.18 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 0.00 0.00 45 H 7.33 4.69 0.00 3.05 3.07 0.00 5.63 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 7.53 4.63 0.00 2.71 3.05 0.00 5.84 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.40 0.00 1.77 2.03 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.80 0.00 48 H 8.56 4.45 0.00 3.32 3.42 0.00 5.69 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.52 4.49 0.00 1.68 1.72 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.69 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 *52 R 7.36 4.11 0.00 1.95 2.13 0.00 3.00 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.06 0.00 53 V 8.29 4.37 2.18 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 0.61 0.00 0.00 0.96 0.00 0.00 54 S 9.76 4.83 0.00 3.87 3.70 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 55 A 8.65 4.66 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 56 L 8.79 4.37 0.00 1.40 1.48 0.78 0.77 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 57 E 8.55 3.87 0.00 1.86 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 2.26 2.23 0.00 58 S 7.44 4.60 0.00 3.96 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 59 R 8.12 3.62 0.00 1.85 1.87 0.00 3.29 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 60 A 7.86 3.93 1.29 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 0.00 0.00 0.00 61 L 7.86 4.00 0.00 1.63 1.68 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.81 3.89 0.00 1.46 0.74 0.00 1.01 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.30 1.09 7.81 63 E 8.37 3.87 0.00 2.16 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 0.00 2.29 2.37 0.00 64 A 8.45 4.04 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 65 Y 8.22 4.09 0.00 3.24 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.03 3.83 0.00 1.96 1.73 1.16 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 67 R 7.81 3.87 0.00 1.96 1.99 0.00 3.33 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 1.84 1.79 0.00 68 A 7.90 4.11 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 69 L 7.81 4.06 0.00 1.65 1.54 0.63 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.77 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 0.00 0.00 0.00 *72 L 7.84 4.24 0.00 1.86 1.75 0.98 1.02 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 73 Q 7.81 3.42 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.62 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 74 V 8.13 4.22 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 0.80 0.00 0.00 0.89 0.00 0.00 75 E 8.15 4.71 0.00 1.83 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 2.20 2.35 0.00 76 A 7.40 4.94 1.18 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 0.00 0.00 77 V 8.40 4.56 1.86 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 0.74 0.00 0.00 0.73 0.00 0.00 *79 V 8.42 3.69 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 0.60 0.00 0.00 0.69 0.00 0.00 80 D 8.17 4.28 0.00 2.73 2.71 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 0.00 0.00 0.00 81 Y 7.28 4.15 0.00 2.73 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 82 R 6.90 4.37 0.00 1.95 1.97 0.00 3.12 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.46 0.00 83 P 0.00 4.25 0.00 2.04 2.06 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 84 G 7.90 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 0.00 0.00 0.00 85 T 8.32 4.31 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 1.21 0.00 0.00 86 H 7.95 4.74 0.00 3.12 3.22 0.00 5.96 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.53 3.88 0.00 1.92 1.97 0.00 3.07 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 88 A 8.52 3.96 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 89 Q 8.45 4.46 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.67 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 90 V 8.32 4.48 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 0.73 0.00 0.00 0.90 0.00 0.00 91 A 8.73 4.79 1.10 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 0.00 0.00 92 R 8.39 4.40 0.00 1.93 1.82 0.00 3.26 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.53 0.00 93 V 8.41 3.55 2.18 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 1.04 0.00 0.00 0.89 0.00 0.00 94 K 8.17 3.90 0.00 1.85 1.78 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.53 7.81 95 D 7.78 4.87 0.00 2.87 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 96 L 8.06 4.12 0.00 1.88 1.88 0.68 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.12 4.09 0.00 1.78 1.76 0.92 1.18 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 98 E 7.61 4.18 0.00 2.37 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 0.00 2.33 2.52 0.00 99 E 8.20 4.12 0.00 2.30 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 2.38 2.41 0.00 100 V 8.28 3.90 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 0.61 0.00 0.00 1.09 0.00 0.00 101 R 7.77 4.24 0.00 1.93 1.97 0.00 3.16 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 102 R 8.28 4.23 0.00 1.87 1.99 0.00 3.18 0.00 0.00 3.25 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 103 A 7.57 4.20 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 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.