NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7518 8.3393 109.7347 45.4156 0.0000 174.3774 *2 S 4.1317 7.5229 114.1111 57.6214 65.2844 174.2720 3 N 3.5500 8.0070 118.7281 55.8039 38.0319 177.3932 4 L 3.7593 7.7679 121.8228 58.2409 42.1204 178.9963 5 E 3.8879 7.9750 118.4435 59.4616 29.0923 179.5162 6 T 3.4254 7.6945 114.8916 66.4791 68.6341 176.1254 7 A 3.7434 7.7683 121.3835 55.0783 18.5572 179.5182 8 K 4.0045 7.9446 116.6298 59.1957 32.0361 179.7098 9 A 4.1596 7.6903 119.4054 52.5784 18.1078 179.2977 *11 I 4.2148 7.8185 123.6195 63.0107 39.5483 178.0365 12 A 4.0435 8.3009 121.7874 55.3599 18.1308 179.6150 13 A 4.0875 8.3017 119.1902 55.3296 18.4574 179.2689 14 Y 4.1944 8.2777 117.6513 61.2220 38.8814 177.9751 15 N 4.3501 8.7048 116.0422 55.7178 38.7098 176.3897 16 A 4.1987 7.9847 119.8410 51.3796 19.1956 176.7635 17 Q 2.5200 7.4746 116.2682 56.4878 27.0888 174.1070 18 D 4.9453 8.3292 117.8911 52.3492 40.9236 175.0822 19 V 3.7914 8.1909 124.8257 65.9061 32.0301 177.0164 20 D 4.4492 8.2341 118.0835 57.5809 40.5407 178.6911 21 T 3.8809 8.3094 115.4281 66.7034 68.4445 175.5129 22 Y 4.4366 8.2399 121.4386 61.2483 38.6678 178.8414 23 V 3.9388 8.0961 111.1814 63.6310 31.8078 178.3212 24 S 4.1389 7.7816 113.0201 60.3934 63.3543 173.9593 25 Y 4.4861 7.4147 121.7689 57.8173 37.9719 175.1192 *27 T 4.3851 7.5115 108.7202 61.2860 70.4457 174.6661 28 D 4.3257 8.5897 122.2119 57.2040 41.0002 177.7632 29 D 4.8826 7.8803 115.3801 53.6625 41.6707 176.1534 30 A 4.7207 7.6009 122.5024 52.1330 19.5624 176.9267 31 C 5.3404 8.6617 117.3918 57.9734 32.7724 172.5311 32 E 5.2858 9.0126 120.2668 54.7995 31.6431 175.2114 33 A 5.1572 8.7375 124.7555 50.4003 23.5462 174.7591 34 N 5.0566 9.1683 117.6058 52.7742 40.0483 174.4976 35 Y 4.3717 8.8315 124.8675 59.1476 39.4057 176.0527 36 R 3.6182 8.3045 124.0525 56.6015 28.5205 176.1715 37 G 3.9132 7.9156 107.3957 44.8921 0.0000 172.7442 38 D 4.6067 8.5153 119.7917 53.3167 41.9432 175.9723 39 V 4.0457 8.2367 122.1482 63.4733 32.0797 175.9959 40 V 4.3157 8.9341 120.0840 62.1278 33.6596 176.5627 41 R 4.5564 7.8354 118.8952 54.3368 34.2599 173.9403 42 E 4.5278 9.0159 125.7846 55.7617 31.1840 176.4773 43 G 4.6786 8.8580 111.7290 45.4642 0.0000 173.3492 44 K 3.8220 8.7192 120.4364 59.9668 32.0126 178.9305 45 E 4.1416 8.2215 118.0707 59.2688 29.4049 179.3863 46 G 4.0339 7.9554 106.7136 47.5107 0.0000 175.8223 47 T 3.9551 8.2272 118.2473 66.2175 68.5712 176.8829 48 R 3.8906 8.0344 120.9548 59.5577 30.1925 178.8381 49 S 4.2265 8.2420 114.2150 61.2152 63.1433 176.5836 50 G 3.4972 8.3462 109.6882 47.5693 0.0000 175.6951 51 L 3.4548 8.0046 121.8220 57.0858 41.4970 179.5323 52 A 3.8563 7.6783 120.2369 54.9737 18.2733 179.5995 53 A 3.8498 7.9017 119.1598 55.0450 18.3643 179.7220 54 A 3.8620 7.8778 119.3035 55.4477 18.2799 179.9456 55 F 4.5011 8.1447 115.3246 60.6650 38.9846 177.4904 56 A 4.1427 7.8260 119.7615 55.0891 18.3920 179.4011 57 R 3.9198 7.8144 118.5983 57.1218 31.2256 175.6907 58 W 4.9725 8.2054 119.5065 53.7696 29.2712 173.9939 59 P 4.6611 0.0000 0.0000 64.4324 31.2922 177.4801 60 Q 4.3074 7.9875 114.6019 55.5191 29.1254 175.1313 61 N 4.5634 7.9032 118.4518 54.8970 39.9932 173.0365 62 H 5.1661 9.3717 124.5281 54.6225 34.0095 171.4466 63 A 5.0498 9.3371 127.6909 50.1811 20.9574 175.2259 64 E 4.4577 9.1474 125.0643 54.8045 31.4234 175.0219 65 I 4.4326 8.4111 128.5369 61.3158 37.1775 175.8329 66 K 4.4135 9.3043 127.2293 57.5128 33.5306 176.6400 67 D 4.6624 7.7216 116.3809 53.1265 44.1696 174.6374 68 A 4.9259 8.5954 126.5123 50.4887 21.9287 175.1469 69 Q 4.5553 9.2795 121.4197 54.1396 33.2180 174.3093 70 Q 4.7295 8.7016 123.9859 54.3518 30.5728 174.8110 71 V 4.2918 8.8398 125.5214 61.5775 33.9504 175.9417 72 G 3.8336 8.2882 119.2577 47.3392 0.0000 175.1187 73 T 4.1393 8.5727 114.8717 62.0403 69.5747 174.2556 74 Y 4.7973 7.8821 121.2096 57.8001 39.6569 174.5011 75 V 4.9521 9.0629 122.0845 61.3172 34.6724 174.6082 76 L 5.6010 8.7876 126.7170 51.9378 45.9787 174.9649 *78 R 4.5018 8.2205 118.5658 56.6297 31.4489 173.8514 79 E 5.1618 9.3403 125.5403 54.7820 33.7421 174.1531 80 H 5.2212 9.3788 124.0819 54.5186 32.1181 173.0186 81 V 4.5304 8.1803 126.5008 61.2290 33.8158 174.3382 82 T 4.5165 8.5770 124.5611 61.7645 70.6120 175.2306 83 R 3.5590 8.0440 126.1003 57.2278 30.2129 178.5269 84 G 3.9353 7.8695 105.1650 43.5626 0.0000 170.8605 85 P 4.3538 0.0000 0.0000 62.3207 31.6097 176.9233 86 A 4.5726 8.6877 126.1401 52.4864 18.8803 177.1494 87 T 4.3953 8.6733 109.3325 61.7010 69.4885 175.6604 88 D 4.7205 7.8807 120.6417 53.0357 39.5946 177.2870 89 G 3.9512 8.2755 107.1727 45.8557 0.0000 174.5281 90 S 4.3844 8.1515 114.5606 57.0681 63.8038 172.4690 91 P 4.4851 0.0000 0.0000 61.8060 32.0092 175.7891 92 L 3.9591 8.4076 121.4491 55.3806 42.1077 176.8121 93 V 3.8578 8.3699 126.9147 62.2037 32.0981 175.3891 94 E 4.2461 8.5948 125.4238 55.1696 30.4719 174.7154 95 P 4.5968 0.0000 0.0000 63.3947 32.2499 175.2537 96 F 5.0753 8.4150 116.6882 55.6632 41.9658 172.6935 97 D 5.5488 8.8807 118.3244 52.9084 43.4530 176.0653 98 V 4.8464 8.7314 113.6607 59.9623 37.1710 174.1574 99 V 4.6699 9.1239 122.1171 61.2104 33.8735 174.1205 100 A 4.8940 8.7183 129.9094 50.8024 20.7556 175.5669 101 V 4.6163 8.6555 123.9674 61.6794 33.7331 174.1085 102 Y 4.8660 9.6796 127.1663 56.8630 39.4397 175.4623 103 S 5.1719 9.1173 121.2578 57.6451 65.1941 173.3983 104 F 5.0441 8.4530 119.6799 55.7512 42.8765 174.4277 105 E 4.4236 9.2563 122.2471 54.0400 31.8650 176.3732 106 G 3.7434 8.8696 116.7473 47.1856 0.0000 173.0839 107 D 4.8350 8.9259 124.2554 52.6285 39.8534 175.9116 108 K 4.8220 7.7479 119.8205 54.7236 34.1794 174.9163 109 C 3.8500 8.8059 124.7625 59.4809 31.4985 173.3270 110 S 4.5632 8.4689 121.2065 58.4968 64.5568 173.8053 111 R 4.8018 7.1432 118.1581 55.5142 33.3769 173.1730 112 V 4.4135 8.2548 124.3814 60.9879 34.5734 174.0504 113 E 4.8606 8.8098 127.0248 54.3661 33.3843 174.7533 114 F 5.3836 8.8239 121.3735 55.8667 42.0722 174.3788 115 I 4.6920 9.1004 125.1276 59.5139 39.2250 176.1404 116 R 4.1889 8.4181 126.3242 56.6175 30.2030 174.2882 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 0 G 8.34 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 *2 S 7.52 4.13 0.00 3.94 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 3 N 8.01 3.55 0.00 2.31 1.42 0.00 0.00 6.43 6.74 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 4 L 7.77 3.76 0.00 1.80 1.53 0.84 0.93 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 5 E 7.98 3.89 0.00 2.17 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 2.25 2.26 0.00 6 T 7.69 3.43 4.36 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 1.18 0.00 0.00 7 A 7.77 3.74 0.66 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 0.00 0.00 8 K 7.94 4.00 0.00 1.93 1.79 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.47 7.81 9 A 7.69 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *11 I 7.82 4.21 1.88 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 1.45 1.00 0.95 0.00 0.00 12 A 8.30 4.04 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 13 A 8.30 4.09 1.72 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 14 Y 8.28 4.19 0.00 3.40 3.25 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 0.00 15 N 8.70 4.35 0.00 2.97 2.91 0.00 0.00 7.07 6.92 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 16 A 7.98 4.20 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 17 Q 7.47 2.52 0.00 1.94 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.75 0.00 0.00 0.00 0.00 0.00 1.16 1.79 0.00 18 D 8.33 4.95 0.00 2.70 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 19 V 8.19 3.79 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 1.08 0.00 0.00 1.09 0.00 0.00 20 D 8.23 4.45 0.00 2.78 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 21 T 8.31 3.88 4.66 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 1.44 0.00 0.00 22 Y 8.24 4.44 0.00 3.39 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 23 V 8.10 3.94 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 1.07 0.00 0.00 1.07 0.00 0.00 24 S 7.78 4.14 0.00 3.77 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 25 Y 7.41 4.49 0.00 3.04 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 *27 T 7.51 4.39 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 1.20 0.00 0.00 28 D 8.59 4.33 0.00 2.73 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 29 D 7.88 4.88 0.00 2.65 2.68 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 30 A 7.60 4.72 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 31 C 8.66 5.34 0.00 2.84 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 32 E 9.01 5.29 0.00 2.05 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 2.35 0.00 33 A 8.74 5.16 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 34 N 9.17 5.06 0.00 2.70 2.82 0.00 0.00 6.93 7.78 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 35 Y 8.83 4.37 0.00 2.88 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 36 R 8.30 3.62 0.00 1.55 1.66 0.00 3.01 0.00 0.00 2.85 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.59 0.00 37 G 7.92 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 38 D 8.52 4.61 0.00 2.73 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 39 V 8.24 4.05 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 0.97 0.00 0.00 0.93 0.00 0.00 40 V 8.93 4.32 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 0.80 0.00 0.00 1.16 0.00 0.00 41 R 7.84 4.56 0.00 1.78 1.82 0.00 3.12 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 42 E 9.02 4.53 0.00 2.10 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 2.30 2.36 0.00 43 G 8.86 4.68 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 44 K 8.72 3.82 0.00 2.12 1.87 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.54 7.81 45 E 8.22 4.14 0.00 2.03 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 0.00 2.41 2.32 0.00 46 G 7.96 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 0.00 0.00 0.00 47 T 8.23 3.96 4.50 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 1.40 0.00 0.00 48 R 8.03 3.89 0.00 2.07 2.07 0.00 3.10 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 49 S 8.24 4.23 0.00 4.07 4.08 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 50 G 8.35 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 51 L 8.00 3.45 0.00 1.36 0.58 0.25 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.68 3.86 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 53 A 7.90 3.85 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 54 A 7.88 3.86 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.14 4.50 0.00 3.07 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 56 A 7.83 4.14 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 57 R 7.81 3.92 0.00 1.44 1.33 0.00 2.43 0.00 0.00 2.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.86 0.00 58 W 8.21 4.97 0.00 3.53 3.10 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 59 P 0.00 4.66 0.00 2.06 2.13 0.00 3.81 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 60 Q 7.99 4.31 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 61 N 7.90 4.56 0.00 3.14 2.70 0.00 0.00 6.52 7.47 0.00 0.00 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 H 9.37 5.17 0.00 3.35 3.04 0.00 5.79 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 63 A 9.34 5.05 1.20 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 0.00 0.00 64 E 9.15 4.46 0.00 2.10 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 2.25 2.31 0.00 65 I 8.41 4.43 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.65 0.91 0.00 0.00 66 K 9.30 4.41 0.00 1.60 1.85 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.51 7.81 67 D 7.72 4.66 0.00 2.62 2.49 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 68 A 8.60 4.93 1.16 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 0.00 0.00 69 Q 9.28 4.56 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 70 Q 8.70 4.73 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 71 V 8.84 4.29 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 0.97 0.00 0.00 0.95 0.00 0.00 72 G 8.29 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 73 T 8.57 4.14 4.12 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 1.13 0.00 0.00 74 Y 7.88 4.80 0.00 3.14 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 75 V 9.06 4.95 2.27 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 0.90 0.00 0.00 0.86 0.00 0.00 76 L 8.79 5.60 0.00 1.67 1.58 0.97 0.82 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 *78 R 8.22 4.50 0.00 1.94 1.87 0.00 3.13 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 79 E 9.34 5.16 0.00 1.90 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 2.24 2.28 0.00 80 H 9.38 5.22 0.00 3.18 3.12 0.00 5.74 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.18 4.53 0.67 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 0.60 0.00 0.00 0.64 0.00 0.00 82 T 8.58 4.52 4.18 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 1.15 0.00 0.00 83 R 8.04 3.56 0.00 1.40 0.92 0.00 2.21 0.00 0.00 2.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.50 0.00 84 G 7.87 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 0.00 0.00 0.00 85 P 0.00 4.35 0.00 2.11 2.06 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 86 A 8.69 4.57 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 87 T 8.67 4.40 4.21 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 1.25 0.00 0.00 88 D 7.88 4.72 0.00 2.68 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 89 G 8.28 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 0.00 0.00 0.00 90 S 8.15 4.38 0.00 4.05 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 91 P 0.00 4.49 0.00 2.25 2.12 0.00 3.84 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 92 L 8.41 3.96 0.00 1.65 1.68 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.37 3.86 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 0.86 0.00 0.00 1.07 0.00 0.00 94 E 8.59 4.25 0.00 2.14 1.96 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 2.30 2.38 0.00 95 P 0.00 4.60 0.00 1.95 1.87 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 96 F 8.41 5.08 0.00 3.04 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.88 5.55 0.00 2.63 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 98 V 8.73 4.85 2.33 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 1.02 0.00 0.00 1.05 0.00 0.00 99 V 9.12 4.67 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 0.77 0.00 0.00 0.94 0.00 0.00 100 A 8.72 4.89 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 0.00 101 V 8.66 4.62 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 0.99 0.00 0.00 0.83 0.00 0.00 102 Y 9.68 4.87 0.00 3.22 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 0.00 103 S 9.12 5.17 0.00 3.72 3.81 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 0.00 104 F 8.45 5.04 0.00 2.87 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 0.00 105 E 9.26 4.42 0.00 1.85 1.85 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 2.20 2.21 0.00 106 G 8.87 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 0.00 0.00 0.00 107 D 8.93 4.84 0.00 2.82 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 0.00 108 K 7.75 4.82 0.00 1.84 1.83 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.41 7.81 109 C 8.81 3.85 0.00 2.43 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 0.00 110 S 8.47 4.56 0.00 3.89 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 0.00 111 R 7.14 4.80 0.00 1.81 1.69 0.00 3.10 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.60 0.00 112 V 8.25 4.41 1.78 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 0.07 0.00 0.00 0.75 0.00 0.00 113 E 8.81 4.86 0.00 1.78 1.76 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 2.10 2.15 0.00 114 F 8.82 5.38 0.00 2.97 2.92 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 0.00 115 I 9.10 4.69 1.80 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.56 0.80 0.00 0.00 116 R 8.42 4.19 0.00 1.76 1.72 0.00 3.03 0.00 0.00 2.96 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.77 0.00 * Residues marked with a * may have inaccurate shift predictions.