NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7420 8.3549 109.7352 45.2632 0.0000 174.2642 *2 F 4.6574 7.6801 116.3524 56.7133 40.1475 174.9451 3 A 4.0552 8.9811 126.4515 54.1311 18.8046 179.3588 4 G 3.9252 8.0331 103.2213 45.5969 0.0000 173.0688 5 S 4.2781 8.5161 115.5513 58.2935 63.5084 174.1057 6 I 3.9026 8.2025 125.5624 60.5782 37.3527 174.3837 7 P 4.9753 0.0000 0.0000 62.3282 32.5452 175.0988 *9 Y 4.5234 8.2429 121.4647 57.7380 40.4505 173.5748 10 I 5.0337 8.0941 126.4408 59.4189 41.3076 174.1496 11 R 4.9787 9.1090 126.9214 54.4537 32.8812 174.4803 12 V 4.7019 8.8561 126.1004 61.0768 34.3959 174.0089 13 V 4.8028 8.9300 129.0033 61.1401 33.0747 174.9811 14 S 4.6916 9.1507 124.1033 57.7090 64.8905 173.1945 15 I 4.9354 8.9831 124.6464 59.7794 40.6284 174.3797 16 T 4.8944 8.8917 123.8497 61.7778 71.0601 174.1662 17 A 5.0503 8.7959 129.1725 50.1049 20.3851 177.0552 18 Q 4.1437 8.7344 116.9246 57.8676 29.3545 176.6543 19 S 4.5853 7.4864 111.8131 55.8361 66.8802 175.0801 20 K 4.2083 8.4130 123.5003 59.3285 31.7005 178.6275 21 L 4.0436 7.8332 117.3557 57.6522 41.6853 179.0027 22 Q 4.1308 7.8140 117.0925 58.7305 28.9289 178.0634 23 F 4.3354 8.3945 121.7146 61.3644 39.3923 178.0257 24 D 4.2800 8.2131 116.5537 55.1701 40.8318 178.5990 *26 T 4.3224 7.8899 118.2214 63.7356 70.6554 176.5869 27 V 2.8884 7.2622 120.3642 66.0422 31.3057 178.1765 28 T 3.8124 7.7126 115.4809 66.7572 68.2769 176.0006 29 Y 4.1134 8.0047 120.9393 60.8398 38.8901 177.8868 30 F 3.8814 9.0671 119.1497 60.2259 38.6812 177.3979 31 E 4.0141 8.4144 118.6688 59.1644 29.6096 177.9164 32 N 4.6442 7.9650 114.4465 53.8026 39.5212 175.4888 33 V 4.0034 7.3878 117.4144 63.9347 33.7527 177.3899 34 W 3.6093 7.5685 128.3298 60.4343 30.5578 178.0393 35 S 4.5439 8.3458 116.6250 60.8689 62.3278 174.7788 36 P 4.2770 0.0000 0.0000 65.4075 30.8396 178.5864 37 K 3.8167 7.7283 117.8171 59.7389 32.1266 179.4896 38 V 3.7128 7.8957 112.5956 64.3390 31.5276 178.7638 39 I 4.0114 8.2114 121.4733 63.7595 36.7283 178.5351 40 S 4.2019 8.1649 114.2646 60.8526 62.8316 175.6410 41 L 4.4518 8.3409 120.4179 54.7173 41.9480 175.8038 42 G 3.4423 7.4990 110.2610 44.9985 0.0000 174.1512 43 A 3.6866 8.2654 124.4799 52.4672 18.9678 178.7327 44 I 3.9808 8.5229 122.8745 63.9930 38.0274 176.3954 45 S 4.7013 7.5120 113.4161 57.5135 66.0849 173.4601 46 A 5.0920 8.3722 121.6583 50.3364 22.0503 175.2737 47 E 4.8847 9.2326 119.2938 54.4637 33.6642 174.1844 48 F 5.1596 8.9992 122.7445 56.4833 42.2312 174.1380 49 V 4.6205 8.6068 124.9846 61.1354 34.6059 173.8673 50 Q 4.7618 8.8883 128.6250 55.4401 30.0650 174.7434 51 S 4.4858 8.9497 120.5915 59.7311 63.4127 172.8363 52 N 4.8836 7.1721 114.8972 51.4725 39.4880 174.1692 53 E 3.9618 8.7850 114.7661 59.1100 29.7832 177.4384 54 N 5.0065 8.2183 115.6608 51.7759 38.9976 173.9753 55 S 4.6940 6.8558 112.6442 56.9118 67.0418 174.8171 56 G 4.7010 9.0392 113.7409 47.4377 0.0000 175.3547 *58 Y 4.5330 8.4808 129.1969 56.9732 39.9756 172.0816 59 I 4.5534 8.4502 127.7925 59.5162 40.1811 174.5293 60 I 4.6775 8.8112 128.3211 59.6477 40.1461 174.2889 61 H 5.0754 8.7475 123.8258 54.4006 30.8914 173.6122 62 Y 5.2042 9.1381 120.1752 55.3963 41.4363 175.2085 63 P 4.4851 0.0000 0.0000 65.7883 32.0968 176.3188 64 D 4.5730 7.7045 116.4571 51.0610 42.7534 176.0084 65 K 2.4800 8.2211 120.6615 59.4542 31.8223 178.7376 66 Q 3.8463 7.7701 117.6241 59.0315 28.6612 178.6084 67 T 3.7598 8.6181 116.9723 66.4478 68.5291 176.3628 68 A 2.5800 7.2043 122.3607 54.8697 18.1566 179.7917 69 I 3.5901 7.6702 118.3811 64.4142 37.0697 178.3221 70 S 4.0498 8.1029 114.2633 61.5923 61.9184 176.5886 71 V 3.5757 7.6037 119.1084 65.9550 31.7210 177.3181 72 F 4.1681 8.2465 120.4025 61.4619 39.0088 176.5643 73 D 4.4066 8.2474 117.5067 57.6518 40.7288 178.9634 74 K 4.1408 7.8059 117.6059 58.1088 32.2730 177.8630 75 I 4.5707 6.9734 109.5097 59.2927 38.2677 177.0093 76 K 3.4034 7.8103 123.5414 59.5185 31.7430 176.6028 77 P 4.2372 0.0000 0.0000 65.5911 31.1219 178.4468 78 E 4.0699 8.0320 117.0503 59.2652 29.3986 179.2875 79 V 3.9526 8.0685 118.4777 66.3123 31.4049 177.7955 80 D 4.4295 8.2825 117.8444 57.3989 40.9131 178.1276 81 E 4.1150 8.1887 119.5142 59.2350 29.6078 179.0456 82 V 3.6994 8.0346 118.4101 66.0639 31.4174 178.1699 83 R 4.2505 8.1825 116.8951 58.8543 29.8934 178.6678 84 T 4.0984 7.7577 109.4218 63.8997 68.9938 175.2080 85 Q 4.5131 7.7896 117.7110 55.8811 30.1006 174.6978 86 N 5.2066 7.6156 114.2341 51.4837 43.9874 173.1894 87 R 4.4688 8.6925 121.6113 55.5637 31.3056 175.0828 88 I 5.0754 8.3915 127.0038 59.5271 40.2563 174.8681 89 Q 4.5845 8.9316 126.9339 54.3590 32.3352 173.5995 90 I 5.0354 8.4899 126.3199 59.8998 39.9394 175.1054 91 T 4.8027 8.8221 122.5250 61.8629 72.4518 172.8027 92 E 4.8411 8.1008 122.2532 55.1458 32.8677 174.7524 93 G 3.6043 7.1285 105.5889 46.4936 0.0000 172.1312 94 K 4.4732 8.3545 118.9469 55.5509 32.9210 176.8796 95 R 4.0107 8.3144 122.9222 56.0665 30.4749 176.3021 96 L 4.3085 8.4117 125.9872 57.1010 42.2976 176.8761 97 F 4.9628 7.0593 109.8191 55.7505 40.2478 173.1459 98 R 4.6596 8.5847 121.2245 54.5627 32.8129 174.4448 99 V 4.5947 8.5721 124.1264 61.1650 34.2281 174.7975 100 D 4.3183 8.4277 124.1206 53.7894 39.1926 174.9495 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 8.35 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 *2 F 7.68 4.66 0.00 3.11 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 3 A 8.98 4.06 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 4 G 8.03 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 0.00 0.00 0.00 5 S 8.52 4.28 0.00 3.91 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 6 I 8.20 3.90 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.49 0.94 0.00 0.00 7 P 0.00 4.98 0.00 2.19 2.09 0.00 3.42 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.78 0.00 *9 Y 8.24 4.52 0.00 3.10 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 10 I 8.09 5.03 1.66 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.35 0.74 0.00 0.00 11 R 9.11 4.98 0.00 2.05 1.97 0.00 3.32 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 12 V 8.86 4.70 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 0.89 0.00 0.00 0.82 0.00 0.00 13 V 8.93 4.80 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 0.84 0.00 0.00 1.09 0.00 0.00 14 S 9.15 4.69 0.00 3.86 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 15 I 8.98 4.94 1.96 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.71 0.91 0.00 0.00 16 T 8.89 4.89 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 1.17 0.00 0.00 17 A 8.80 5.05 1.38 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 0.00 0.00 18 Q 8.73 4.14 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 19 S 7.49 4.59 0.00 4.01 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 20 K 8.41 4.21 0.00 1.85 1.86 0.00 1.77 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.46 7.81 21 L 7.83 4.04 0.00 1.67 1.72 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 7.81 4.13 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 23 F 8.39 4.34 0.00 3.14 3.24 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 24 D 8.21 4.28 0.00 2.84 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 *26 T 7.89 4.32 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 1.11 0.00 0.00 27 V 7.26 2.89 1.66 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 0.63 0.00 0.00 -0.68 0.00 0.00 28 T 7.71 3.81 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 1.23 0.00 0.00 29 Y 8.00 4.11 0.00 3.08 3.28 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 0.00 0.00 0.00 30 F 9.07 3.88 0.00 3.09 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 31 E 8.41 4.01 0.00 1.99 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 2.35 2.41 0.00 32 N 7.96 4.64 0.00 2.83 2.82 0.00 0.00 6.80 7.75 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 33 V 7.39 4.00 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 0.65 0.00 0.00 0.79 0.00 0.00 34 W 7.57 3.61 0.00 2.63 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 35 S 8.35 4.54 0.00 4.08 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 36 P 0.00 4.28 0.00 2.10 2.09 0.00 3.60 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.16 0.00 37 K 7.73 3.82 0.00 1.78 1.65 0.00 1.41 0.00 0.00 1.50 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.10 1.30 7.81 38 V 7.90 3.71 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 0.89 0.00 0.00 1.22 0.00 0.00 39 I 8.21 4.01 1.96 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.73 0.92 0.00 0.00 40 S 8.16 4.20 0.00 4.01 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 0.00 41 L 8.34 4.45 0.00 1.75 1.78 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.50 3.44 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 43 A 8.27 3.69 1.01 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 0.00 0.00 44 I 8.52 3.98 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.61 0.90 0.00 0.00 45 S 7.51 4.70 0.00 3.81 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 46 A 8.37 5.09 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 47 E 9.23 4.88 0.00 2.03 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 2.29 2.21 0.00 48 F 9.00 5.16 0.00 3.25 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 49 V 8.61 4.62 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 0.98 0.00 0.00 0.98 0.00 0.00 50 Q 8.89 4.76 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.66 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 51 S 8.95 4.49 0.00 3.83 3.80 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 52 N 7.17 4.88 0.00 2.90 2.81 0.00 0.00 6.80 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 53 E 8.79 3.96 0.00 2.14 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 0.00 2.29 2.23 0.00 54 N 8.22 5.01 0.00 2.69 2.92 0.00 0.00 6.36 7.44 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 55 S 6.86 4.69 0.00 3.82 3.76 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 56 G 9.04 4.70 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 *58 Y 8.48 4.53 0.00 1.75 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.45 4.55 1.76 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.57 0.78 0.00 0.00 60 I 8.81 4.68 1.86 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.02 0.49 0.00 0.00 61 H 8.75 5.08 0.00 3.02 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 9.14 5.20 0.00 3.20 2.96 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 63 P 0.00 4.49 0.00 2.23 2.25 0.00 4.10 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 64 D 7.70 4.57 0.00 3.00 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 65 K 8.22 2.48 0.00 1.44 1.59 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.16 0.79 7.81 66 Q 7.77 3.85 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 67 T 8.62 3.76 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 1.41 0.00 0.00 68 A 7.20 2.58 0.81 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 0.00 0.00 69 I 7.67 3.59 1.89 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.58 0.93 0.00 0.00 70 S 8.10 4.05 0.00 3.91 4.02 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 71 V 7.60 3.58 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 1.02 0.00 0.00 1.18 0.00 0.00 72 F 8.25 4.17 0.00 3.36 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 73 D 8.25 4.41 0.00 2.91 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 74 K 7.81 4.14 0.00 1.79 1.80 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.58 7.81 75 I 6.97 4.57 1.52 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.62 0.69 0.00 0.00 76 K 7.81 3.40 0.00 1.69 1.74 0.00 1.82 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.46 1.37 7.81 77 P 0.00 4.24 0.00 2.15 2.06 0.00 3.47 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 2.06 2.14 0.00 78 E 8.03 4.07 0.00 2.02 1.97 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 2.18 2.38 0.00 79 V 8.07 3.95 2.25 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 1.30 0.00 0.00 1.20 0.00 0.00 80 D 8.28 4.43 0.00 2.86 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 81 E 8.19 4.12 0.00 2.12 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 2.35 2.41 0.00 82 V 8.03 3.70 2.35 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 1.01 0.00 0.00 1.21 0.00 0.00 83 R 8.18 4.25 0.00 2.06 2.03 0.00 3.29 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 84 T 7.76 4.10 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 85 Q 7.79 4.51 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.74 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 86 N 7.62 5.21 0.00 2.71 2.75 0.00 0.00 6.72 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 87 R 8.69 4.47 0.00 1.91 1.81 0.00 3.03 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 88 I 8.39 5.08 1.92 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 1.26 1.11 0.97 0.00 0.00 89 Q 8.93 4.58 0.00 2.13 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 90 I 8.49 5.04 1.84 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.84 0.87 0.00 0.00 91 T 8.82 4.80 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 92 E 8.10 4.84 0.00 1.91 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 2.14 2.36 0.00 93 G 7.13 3.60 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 0.00 0.00 0.00 94 K 8.35 4.47 0.00 1.77 1.79 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.69 1.57 7.81 95 R 8.31 4.01 0.00 1.74 1.83 0.00 3.20 0.00 0.00 3.42 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 96 L 8.41 4.31 0.00 1.63 1.80 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 97 F 7.06 4.96 0.00 3.03 2.98 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 98 R 8.58 4.66 0.00 1.74 1.84 0.00 3.19 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 99 V 8.57 4.59 2.19 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 0.94 0.00 0.00 1.00 0.00 0.00 100 D 8.43 4.32 0.00 2.76 2.57 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 * Residues marked with a * may have inaccurate shift predictions.