NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4359 8.0333 115.5166 61.8908 69.2007 172.3390 3 K 5.2357 8.5315 126.3218 54.2572 36.2988 173.4586 4 A 5.3410 9.2557 124.9318 50.4226 23.6216 174.9536 5 V 4.9886 9.0421 118.0826 60.3902 35.6435 174.0633 6 C 4.9105 9.1051 121.5560 58.0106 35.5020 172.5640 7 V 4.6291 8.4816 125.8367 61.3019 33.3558 173.9993 8 L 4.9400 8.7645 128.9560 53.8021 43.2738 176.1387 9 K 4.9450 9.1910 122.1574 55.5396 37.0420 175.9936 10 G 4.3513 7.9832 109.1878 45.0807 0.0000 172.2697 11 D 4.5497 8.8667 118.5516 55.5440 42.1994 176.3054 12 G 4.4463 7.4950 109.2677 43.6033 0.0000 171.7751 13 P 4.3091 0.0000 0.0000 64.5368 31.6260 175.8370 14 V 4.8731 7.4042 119.9746 62.2550 31.7956 175.1810 15 Q 4.8179 8.4436 124.6382 55.6216 32.1082 173.6769 16 G 4.5317 8.4540 106.9120 46.2009 0.0000 171.6402 17 I 5.1583 8.3189 119.5387 59.6730 41.5484 174.8789 18 I 4.7207 8.8640 127.3659 59.4941 40.4315 174.3297 19 N 5.0716 8.5457 124.1621 51.3979 41.3396 173.8653 20 F 5.2171 9.2332 120.0383 55.7831 43.2125 173.8750 21 E 5.1680 9.6257 123.5218 54.8098 32.7535 172.3218 22 Q 4.7950 8.8053 130.7976 54.5197 32.3171 173.0214 *25 S 4.5222 8.7336 111.0792 58.4961 63.0051 174.4685 26 N 4.8794 8.8608 115.1043 52.4387 38.7181 174.7530 27 G 3.8169 7.7819 107.7235 44.4044 0.0000 171.8758 28 P 4.5963 0.0000 0.0000 62.9646 32.3540 175.4353 29 V 4.5547 8.7766 121.3556 61.3299 33.6133 174.6203 30 K 4.8653 9.5125 128.3697 55.6948 33.7488 175.8718 31 V 4.7794 9.4771 126.1586 60.7560 34.1444 174.2629 32 W 5.4910 8.2319 123.8544 55.0605 31.9441 175.3829 33 G 3.9958 7.4465 105.9864 46.0190 0.0000 171.0129 34 S 5.1261 7.6766 112.8753 56.8486 66.7223 174.2979 35 I 5.0088 8.7856 125.4672 59.5163 40.8430 174.9852 36 K 4.6927 9.0489 126.4372 55.8424 35.6885 177.2854 37 G 3.8193 8.6782 105.9532 46.5139 0.0000 173.3689 38 L 4.4278 7.5816 120.1231 53.0645 42.9351 176.5865 39 T 4.2401 8.1640 112.2820 61.0506 69.2897 173.9581 40 E 4.0038 8.6254 124.4580 57.7208 30.4825 175.1315 41 G 3.9654 8.3980 109.8736 43.8869 0.0000 172.6323 42 L 4.7920 8.1228 118.3556 54.8970 42.8978 176.7008 43 H 4.9952 8.9095 118.6721 53.8304 33.2868 173.3298 44 G 4.1134 9.1839 111.2507 47.1083 0.0000 172.5307 45 F 5.6339 8.3660 124.8500 57.5006 42.3348 172.5990 46 H 5.1871 8.8387 122.1329 54.3391 34.0509 172.6001 47 V 4.4593 8.6405 121.2148 62.3691 32.8042 175.2366 48 H 5.0781 9.4506 125.5265 54.4129 30.7312 175.8480 49 E 3.6691 9.0585 121.8729 58.9854 29.5952 177.0835 50 F 4.9970 8.2083 116.7220 54.9711 41.3748 176.7301 51 G 4.5118 8.3322 109.8711 44.2064 0.0000 174.2386 52 D 4.7724 7.9622 117.9318 52.6237 42.5189 174.5104 53 N 5.4199 8.7456 125.5797 52.7318 39.3478 175.7608 54 T 4.0157 8.5519 109.2075 63.0522 69.1238 174.1683 55 A 4.6966 7.9203 126.1956 51.5083 20.0576 176.2813 56 G 4.1404 7.9723 111.1897 47.4666 0.0000 176.1519 57 C 4.4244 8.6009 115.4822 59.7109 40.0716 175.6195 58 T 3.8103 7.4446 117.1310 66.1173 67.9744 175.4865 59 S 4.5601 7.8568 113.5900 58.6427 63.5205 175.4521 60 A 4.3116 8.0954 125.7659 54.0810 18.1456 178.5652 61 G 3.8493 7.7730 105.5855 43.7935 0.0000 170.4376 62 P 4.7038 0.0000 0.0000 62.0536 33.8793 175.0569 63 H 4.4991 8.3440 116.4503 55.6521 29.4756 175.5055 64 F 4.2456 9.2656 125.3485 58.4492 40.2876 174.9549 65 N 4.9170 8.0458 125.6561 51.3767 38.7740 172.9494 66 P 4.0947 0.0000 0.0000 65.5521 31.9567 177.8926 67 L 4.1932 7.6123 116.1377 53.8725 42.1589 176.6285 68 S 3.5982 7.5318 113.9216 60.0405 60.3877 170.2592 69 R 4.6378 8.6274 118.3235 54.0332 33.2607 176.0738 70 K 4.4421 9.2779 118.7290 55.7683 33.8659 176.4631 71 H 4.0112 8.8181 122.5322 56.7938 30.5316 174.6429 72 G 4.3054 7.3138 109.4707 46.0489 0.0000 172.4932 73 G 4.0730 9.2542 109.7998 43.6653 0.0000 173.2654 74 P 4.2546 0.0000 0.0000 65.1349 31.2258 177.3996 75 K 4.4365 7.9123 115.6680 56.0568 32.2330 175.8191 76 D 4.7745 7.6053 119.2598 53.1542 42.0536 176.7345 77 E 3.9678 8.8411 121.6989 59.2316 29.6183 177.1604 78 E 4.3980 7.9470 121.2723 54.6250 30.2072 174.7645 79 R 4.6248 7.8355 120.4585 56.0335 32.4682 173.9009 80 H 4.6503 9.0968 116.0492 54.7260 29.7080 177.0840 81 V 3.4690 8.2794 122.2087 66.2583 31.4561 176.9364 82 G 4.0568 8.4268 105.4357 46.5568 0.0000 173.3594 83 D 5.1139 8.1760 121.3325 53.6206 40.6874 176.2064 84 L 4.7951 8.1462 124.1483 52.7194 44.0057 176.9174 85 R 4.3054 8.4828 116.4357 55.5601 30.4198 176.0759 86 N 4.6199 8.6080 116.3778 54.3148 39.2915 174.9596 87 V 4.1905 8.7318 115.5046 60.4803 34.6299 175.0699 88 T 4.9053 8.2391 118.8601 61.8974 71.0918 172.9921 89 A 4.9335 8.7819 129.3269 50.6334 21.1851 177.0609 90 D 4.9803 8.8495 122.3963 51.8268 41.6163 177.0600 91 K 4.1102 8.5701 116.9257 59.3404 31.8666 177.8893 92 D 4.4556 8.5981 116.2112 54.7340 41.0828 177.0287 93 G 4.2689 8.9862 108.6225 44.8601 0.0000 172.5399 94 V 4.7911 7.8621 118.8855 60.6228 34.1916 174.1469 95 A 5.3851 8.9791 129.8191 49.6745 21.0490 175.1309 96 D 4.9491 8.6504 123.0795 53.7263 41.9224 176.4931 97 V 4.1086 8.7154 125.1792 61.9614 33.4922 175.3956 98 S 5.2596 8.5340 121.8568 57.4358 63.4383 172.5153 99 I 4.7814 9.7395 126.9770 58.8831 41.2059 173.7881 100 E 5.2089 8.7845 124.7851 54.5339 32.2263 174.4115 101 D 4.8887 9.3267 126.2080 52.7252 44.5109 175.7754 102 S 4.6284 8.9380 120.2588 58.6358 63.5305 174.7794 103 V 3.9943 8.2528 121.6721 64.6098 31.8885 176.3674 104 I 4.1977 7.7592 111.1313 60.9344 38.6238 174.3228 105 S 4.6136 8.1677 112.3270 57.7739 64.6990 174.2866 106 L 4.6838 8.9134 125.0790 54.4518 41.6904 176.3708 107 S 4.5922 8.1708 112.2827 58.1136 66.3663 174.8442 108 G 4.0656 8.6189 110.6027 45.5667 0.0000 174.6405 109 D 4.5866 8.7421 119.9539 57.3372 41.3462 178.3701 110 H 4.7447 8.0414 112.2617 56.1996 28.3318 175.0468 111 C 4.8831 8.3356 120.4588 59.3627 31.7110 173.4855 112 I 3.8738 8.0599 118.5424 60.4402 38.2279 175.4370 113 I 3.6527 7.2470 123.2621 62.8846 37.4269 176.2163 114 G 3.8486 9.0924 113.8106 44.8856 0.0000 172.9033 115 R 4.6904 7.7846 118.8922 54.8931 33.6231 174.7369 116 T 4.9244 7.7887 115.7699 62.1068 70.9573 173.9273 117 L 4.8764 8.7859 128.3787 53.7407 44.2538 175.2753 118 V 5.0191 8.7263 125.5170 60.9843 35.0928 174.2358 119 V 5.0959 8.8946 126.9084 60.4660 33.9044 174.8073 120 H 5.3289 9.1990 121.6172 54.2460 30.5343 174.9016 121 E 4.1794 9.3480 121.6743 58.8676 30.1395 176.2891 122 K 4.8028 8.3602 117.4857 53.9100 36.1906 175.5193 123 A 4.6036 8.3316 121.7632 52.1368 19.8097 176.1640 124 D 4.7409 10.3162 121.3467 53.4627 42.0730 176.0774 125 D 4.5914 9.4304 125.0824 53.0620 40.0824 177.1567 126 L 3.4358 10.0882 119.1312 55.7546 39.7300 175.9382 127 G 4.3918 9.3421 105.9098 45.9131 0.0000 174.5149 128 K 4.3521 8.0596 117.3262 55.8906 32.0684 176.9715 129 G 3.9249 8.0095 109.8064 45.4033 0.0000 173.8659 130 G 4.1458 8.2460 106.2690 44.5343 0.0000 172.7876 131 N 4.8363 7.6461 115.8302 50.1734 40.4394 174.4783 132 E 3.9559 8.7754 117.7928 59.6520 29.6058 178.0499 133 E 3.9578 8.2601 118.6628 59.2918 29.5266 178.6117 134 S 4.2191 7.7439 112.1665 61.3853 62.3709 175.5293 135 T 4.2346 8.0523 110.7357 62.7592 68.5495 175.7697 136 K 4.2900 7.7306 119.9862 57.6769 34.3997 176.6742 137 T 4.1134 8.1456 106.4693 60.0682 70.3141 175.3565 138 G 3.8958 8.2560 110.1721 45.3311 0.0000 173.3310 139 N 4.2840 8.0006 114.7488 53.9954 36.7551 175.7716 140 A 4.4094 7.0573 118.2402 52.1729 19.0108 180.1066 141 G 4.1743 7.4568 104.3401 44.5549 0.0000 173.6547 142 S 4.3944 7.8292 112.7751 58.6978 64.5684 173.7947 143 R 4.5335 8.3313 119.8804 55.2421 30.0573 176.5925 144 L 4.3224 8.9893 125.4462 57.3278 43.0536 176.8297 145 A 4.7796 7.6994 117.4838 51.7196 22.5986 173.9368 146 C 5.1763 8.6128 113.4650 55.2348 44.7067 172.7274 147 G 4.6481 8.2527 103.2163 46.1174 0.0000 173.0197 148 V 4.3835 8.4007 122.2176 62.1521 32.7556 175.6644 149 I 3.9413 9.0642 129.6962 61.3871 37.9271 175.5002 150 G 4.4403 9.3219 114.7625 43.9229 0.0000 172.1991 151 I 4.3383 8.2443 120.9615 60.9728 38.0184 176.2857 152 A 4.3776 8.6772 127.2290 52.1029 18.7225 175.8770 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 2 T 8.03 4.44 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 1.31 0.00 0.00 3 K 8.53 5.24 0.00 1.83 1.72 0.00 1.73 0.00 0.00 1.93 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.58 7.81 4 A 9.26 5.34 1.08 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 0.00 0.00 5 V 9.04 4.99 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 0.75 0.00 0.00 0.93 0.00 0.00 6 C 9.11 4.91 0.00 3.11 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 7 V 8.48 4.63 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 0.95 0.00 0.00 0.92 0.00 0.00 8 L 8.76 4.94 0.00 1.73 1.60 1.06 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.19 4.94 0.00 1.64 1.63 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.39 7.81 10 G 7.98 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 0.00 0.00 0.00 0.00 11 D 8.87 4.55 0.00 2.68 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 12 G 7.49 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 2.22 2.31 0.00 3.69 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 2.17 1.94 0.00 14 V 7.40 4.87 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 0.46 0.00 0.00 0.93 0.00 0.00 15 Q 8.44 4.82 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.38 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 16 G 8.45 4.53 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 0.00 0.00 0.00 17 I 8.32 5.16 1.83 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 1.20 0.88 0.83 0.00 0.00 18 I 8.86 4.72 1.87 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 1.29 1.23 0.46 0.00 0.00 19 N 8.55 5.07 0.00 1.44 1.68 0.00 0.00 6.41 8.79 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 20 F 9.23 5.22 0.00 2.85 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 21 E 9.63 5.17 0.00 2.45 2.24 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 2.33 2.40 0.00 22 Q 8.81 4.79 0.00 2.16 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.26 0.00 0.00 0.00 0.00 0.00 2.30 2.60 0.00 *25 S 8.73 4.52 0.00 3.91 3.18 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 26 N 8.86 4.88 0.00 2.73 2.80 0.00 0.00 6.72 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 27 G 7.78 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 0.00 0.00 0.00 28 P 0.00 4.60 0.00 2.13 2.11 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 29 V 8.78 4.55 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 1.03 0.00 0.00 30 K 9.51 4.87 0.00 2.00 1.85 0.00 1.88 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.44 7.81 31 V 9.48 4.78 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 0.55 0.00 0.00 0.94 0.00 0.00 32 W 8.23 5.49 0.00 3.54 3.22 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 33 G 7.45 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 0.00 0.00 0.00 34 S 7.68 5.13 0.00 3.95 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 35 I 8.79 5.01 1.76 0.00 0.00 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 1.24 0.41 0.86 0.00 0.00 36 K 9.05 4.69 0.00 1.79 1.90 0.00 1.35 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.35 7.81 37 G 8.68 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 0.00 0.00 0.00 38 L 7.58 4.43 0.00 1.83 1.45 0.80 0.40 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 39 T 8.16 4.24 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 1.23 0.00 0.00 40 E 8.63 4.00 0.00 2.02 1.87 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 2.38 2.50 0.00 41 G 8.40 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 0.00 0.00 0.00 42 L 8.12 4.79 0.00 1.48 1.56 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.91 5.00 0.00 3.01 3.27 0.00 5.63 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 44 G 9.18 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 45 F 8.37 5.63 0.00 2.87 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 46 H 8.84 5.19 0.00 3.05 3.09 0.00 5.85 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 47 V 8.64 4.46 2.13 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 0.79 0.00 0.00 0.89 0.00 0.00 48 H 9.45 5.08 0.00 3.07 3.43 0.00 5.70 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.06 3.67 0.00 1.62 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 0.00 0.00 0.00 1.56 2.16 0.00 50 F 8.21 5.00 0.00 3.05 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 51 G 8.33 4.51 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 0.00 0.00 0.00 52 D 7.96 4.77 0.00 2.60 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 53 N 8.75 5.42 0.00 2.67 2.74 0.00 0.00 7.37 7.70 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 54 T 8.55 4.02 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 1.22 0.00 0.00 55 A 7.92 4.70 1.26 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 56 G 7.97 4.14 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 0.00 57 C 8.60 4.42 0.00 2.96 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 58 T 7.44 3.81 4.42 0.00 0.00 0.00 0.00 0.00 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 59 S 7.86 4.56 0.00 4.04 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 60 A 8.10 4.31 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 61 G 7.77 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 62 P 0.00 4.70 0.00 2.02 2.20 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 63 H 8.34 4.50 0.00 2.82 3.17 0.00 5.74 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 64 F 9.27 4.25 0.00 2.90 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 65 N 8.05 4.92 0.00 2.62 2.46 0.00 0.00 6.92 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 66 P 0.00 4.09 0.00 2.02 1.82 0.00 3.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.96 0.00 67 L 7.61 4.19 0.00 1.56 1.68 0.89 0.92 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 68 S 7.53 3.60 0.00 3.98 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 69 R 8.63 4.64 0.00 1.82 1.92 0.00 3.11 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 70 K 9.28 4.44 0.00 1.73 1.69 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.59 1.51 7.81 71 H 8.82 4.01 0.00 3.19 3.17 0.00 5.98 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 72 G 7.31 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.25 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 74 P 0.00 4.25 0.00 2.22 2.37 0.00 3.77 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 2.01 2.10 0.00 75 K 7.91 4.44 0.00 1.76 1.86 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.39 7.81 76 D 7.61 4.77 0.00 2.83 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 77 E 8.84 3.97 0.00 1.94 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 2.31 2.24 0.00 78 E 7.95 4.40 0.00 1.96 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 0.00 2.27 2.25 0.00 79 R 7.84 4.62 0.00 1.85 1.91 0.00 2.93 0.00 0.00 3.89 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 80 H 9.10 4.65 0.00 3.51 3.39 0.00 5.65 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.28 3.47 1.53 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 0.74 0.00 0.00 0.44 0.00 0.00 82 G 8.43 4.06 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 0.00 0.00 0.00 83 D 8.18 5.11 0.00 2.72 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 84 L 8.15 4.80 0.00 1.76 1.76 0.62 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.48 4.31 0.00 1.96 1.98 0.00 3.09 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 86 N 8.61 4.62 0.00 2.64 2.81 0.00 0.00 6.91 7.68 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 87 V 8.73 4.19 1.79 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 -0.28 0.00 0.00 0.68 0.00 0.00 88 T 8.24 4.91 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 1.20 0.00 0.00 89 A 8.78 4.93 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 90 D 8.85 4.98 0.00 2.86 2.84 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 91 K 8.57 4.11 0.00 1.76 1.93 0.00 1.81 0.00 0.00 2.61 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.39 7.81 92 D 8.60 4.46 0.00 2.73 2.70 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 93 G 8.99 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 0.00 0.00 0.00 0.00 94 V 7.86 4.79 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 0.92 0.00 0.00 95 A 8.98 5.39 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 96 D 8.65 4.95 0.00 2.56 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 97 V 8.72 4.11 2.02 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 0.90 0.00 0.00 0.72 0.00 0.00 98 S 8.53 5.26 0.00 3.92 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 99 I 9.74 4.78 1.98 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.98 0.99 0.00 0.00 100 E 8.78 5.21 0.00 1.96 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 2.21 2.31 0.00 101 D 9.33 4.89 0.00 2.84 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 0.00 102 S 8.94 4.63 0.00 3.92 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 0.00 103 V 8.25 3.99 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 0.78 0.00 0.00 0.94 0.00 0.00 104 I 7.76 4.20 1.96 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.82 1.04 0.00 0.00 105 S 8.17 4.61 0.00 3.89 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 0.00 106 L 8.91 4.68 0.00 1.79 1.65 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.17 4.59 0.00 3.81 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 0.00 108 G 8.62 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 0.00 109 D 8.74 4.59 0.00 2.68 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 0.00 110 H 8.04 4.74 0.00 3.17 3.37 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.34 4.88 0.00 3.08 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 0.00 112 I 8.06 3.87 1.59 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.16 0.98 0.00 0.00 113 I 7.25 3.65 1.78 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 1.19 0.39 0.83 0.00 0.00 114 G 9.09 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 0.00 115 R 7.78 4.69 0.00 1.56 1.78 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.23 0.00 116 T 7.79 4.92 4.30 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 1.24 0.00 0.00 117 L 8.79 4.88 0.00 1.77 1.56 0.45 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.73 5.02 2.13 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 0.82 0.00 0.00 0.73 0.00 0.00 119 V 8.89 5.10 2.24 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 0.76 0.00 0.00 0.98 0.00 0.00 120 H 9.20 5.33 0.00 3.16 3.64 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.35 4.18 0.00 1.99 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 2.37 2.34 0.00 122 K 8.36 4.80 0.00 1.74 1.70 0.00 1.91 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.39 7.81 123 A 8.33 4.60 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 0.00 124 D 10.32 4.74 0.00 2.80 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 0.00 125 D 9.43 4.59 0.00 2.91 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 0.00 126 L 10.09 3.44 0.00 1.87 1.79 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 127 G 9.34 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 0.00 0.00 0.00 0.00 128 K 8.06 4.35 0.00 1.87 1.84 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.37 7.81 129 G 8.01 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 0.00 0.00 0.00 130 G 8.25 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 0.00 131 N 7.65 4.84 0.00 2.83 2.91 0.00 0.00 5.74 7.66 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 0.00 132 E 8.78 3.96 0.00 2.10 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 0.00 2.38 2.43 0.00 133 E 8.26 3.96 0.00 2.11 1.95 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 2.51 2.43 0.00 134 S 7.74 4.22 0.00 3.99 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 0.00 135 T 8.05 4.23 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 0.00 136 K 7.73 4.29 0.00 1.81 1.82 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.44 7.81 137 T 8.15 4.11 4.19 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 1.17 0.00 0.00 138 G 8.26 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 0.00 139 N 8.00 4.28 0.00 3.06 2.89 0.00 0.00 6.90 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 7.06 4.41 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 0.00 141 G 7.46 4.17 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 0.00 142 S 7.83 4.39 0.00 4.05 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 0.00 143 R 8.33 4.53 0.00 1.68 1.84 0.00 3.18 0.00 0.00 3.13 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.65 0.00 144 L 8.99 4.32 0.00 1.71 1.69 0.93 0.60 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 0.00 145 A 7.70 4.78 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 0.00 146 C 8.61 5.18 0.00 3.05 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 0.00 147 G 8.25 4.65 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 0.00 0.00 0.00 148 V 8.40 4.38 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 0.81 0.00 0.00 0.97 0.00 0.00 149 I 9.06 3.94 1.76 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.53 0.31 0.00 0.00 150 G 9.32 4.44 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 0.00 151 I 8.24 4.34 1.85 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 1.25 0.54 0.91 0.00 0.00 152 A 8.68 4.38 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 * Residues marked with a * may have inaccurate shift predictions.