NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4635 8.3044 120.2889 54.3710 32.3456 172.0567 2 K 3.9619 8.3705 119.9188 56.2399 33.0443 171.7764 3 E 4.7831 9.7667 129.4361 54.1630 33.5792 174.2650 4 V 4.3299 8.4279 126.0046 62.3050 32.4118 174.9755 5 I 4.4389 8.5313 129.8927 60.1605 38.1041 175.4455 6 F 5.0523 8.6606 128.0686 56.8218 42.4296 173.1746 7 T 4.1745 7.5970 120.4839 60.9011 70.3167 173.1291 8 E 4.2423 8.1866 122.8568 56.4201 29.9606 176.6540 9 N 4.5523 7.5521 115.0467 53.5601 38.9936 174.6098 10 A 4.7964 7.2179 120.1273 48.9479 22.2609 174.1158 11 P 4.3062 0.0000 0.0000 62.7271 31.8316 176.7896 12 K 4.3342 8.6000 123.1558 55.1259 32.6755 175.0256 13 P 4.2541 0.0000 0.0000 62.4145 31.6764 177.2076 14 I 4.2709 8.1023 121.0112 58.9660 37.3335 173.8477 15 G 4.2662 6.9445 107.5627 45.4212 0.0000 170.6950 16 P 4.5899 0.0000 0.0000 63.2925 31.2921 175.1143 17 Y 4.9532 7.6149 115.6079 56.3360 41.2770 173.7534 18 S 4.7637 8.3698 114.5893 56.3672 66.4872 174.4833 19 Q 4.3846 8.8768 121.3481 59.3118 29.5949 176.4279 20 A 4.8826 7.4513 116.7030 51.4968 22.5929 175.3551 21 I 5.0039 8.4706 120.0622 59.4362 41.5883 174.4576 22 K 4.9297 9.2754 128.4414 55.2013 33.6841 174.9424 23 A 4.8958 9.2122 130.0869 49.9850 19.8718 176.9406 24 G 4.0946 9.0117 113.1903 47.1790 0.0000 173.3363 25 N 4.5584 8.8576 121.1817 53.4086 39.2161 174.2373 26 F 5.1732 8.0397 117.7655 56.2810 41.5568 174.3408 27 L 4.9363 8.7489 123.7319 53.3300 44.8176 175.0465 28 F 4.8437 9.4458 126.1767 56.0575 40.6450 174.7406 29 I 4.8215 8.4419 125.4321 59.6563 38.8614 175.8298 30 A 4.4435 9.2187 128.9956 51.3263 19.3128 177.5707 31 G 3.9156 8.6448 106.8578 46.5579 0.0000 172.6843 32 Q 5.0018 9.4125 124.8783 54.1166 31.1983 174.8895 33 I 4.8606 8.1728 116.1224 57.4056 41.0050 174.1874 34 P 4.6875 0.0000 0.0000 63.5779 28.2958 174.9392 35 I 4.9294 7.3836 121.1311 60.0849 40.4995 175.9972 36 D 4.6782 8.9818 127.5312 52.4156 40.2687 175.2049 37 P 4.0197 0.0000 0.0000 65.7589 31.3192 178.2097 38 K 4.0597 8.1746 118.3702 57.9740 32.4280 177.0197 39 T 4.3843 7.3760 106.6044 60.7352 70.4864 175.4236 40 G 3.9517 9.3289 110.1089 45.1133 0.0000 173.0536 41 E 4.5452 7.7077 119.1141 55.2451 31.7643 175.4324 42 I 4.4860 8.0861 122.1909 60.6474 38.1488 176.2886 43 V 3.8426 8.2233 126.8039 62.2973 32.3193 175.4526 44 K 3.9539 8.7582 122.1506 56.6887 32.5215 177.4972 45 G 3.9082 8.3603 108.9281 46.0142 0.0000 174.1742 46 D 4.7995 7.7325 117.8918 51.3824 44.4916 173.9832 47 I 3.6380 8.5607 126.8986 64.5667 37.4118 177.3556 48 K 3.9236 8.4972 120.0789 59.5598 31.9766 178.5434 49 D 4.3741 8.0978 118.6882 57.1835 40.9714 178.5070 50 Q 3.9477 8.0811 118.4532 59.3209 28.6980 178.7735 51 T 3.6900 7.8480 116.6364 66.8050 68.5027 176.4054 52 R 3.6165 7.4410 119.1108 59.4186 29.9713 178.3378 53 Q 3.8979 8.0189 119.2945 59.0618 29.0706 178.2652 54 V 3.5199 8.2112 119.6097 66.0952 31.5019 178.0900 55 L 3.7454 7.8200 118.8400 57.4059 41.1122 179.3662 56 E 4.0322 7.8753 118.7341 59.4922 29.5439 179.1106 57 N 4.3450 8.3338 116.6686 56.4663 38.6028 177.6312 58 I 3.7961 7.9045 121.2179 64.0057 37.1310 178.4596 59 K 3.9952 8.4291 120.8750 59.5243 32.0876 178.7570 60 A 4.0319 8.4096 121.4716 55.2622 18.3833 179.7361 61 I 3.7119 7.7451 118.0433 64.1789 37.1073 178.5407 62 L 3.9849 8.0884 119.9333 57.9494 41.5283 179.3108 63 E 4.1932 8.4927 119.4060 58.8498 29.2135 179.1959 64 A 3.9897 7.7635 119.1492 55.2559 18.5684 179.0389 65 A 4.3071 7.7779 115.8671 53.0377 18.6284 178.3597 66 G 3.8877 8.2588 105.7498 45.4545 0.0000 173.0635 67 Y 4.5143 8.5345 118.3127 56.1439 40.2271 174.3625 68 S 4.8089 8.0912 114.2894 56.1210 66.6165 175.0443 69 L 4.1966 8.4917 119.9580 57.8591 41.3933 178.8292 70 N 4.7342 8.2130 112.9734 53.8971 37.5656 174.9615 71 D 4.7288 8.0685 118.7377 54.5011 41.7804 176.2690 72 V 4.1296 7.7381 120.7820 62.7543 31.8594 175.3385 73 I 4.3799 8.5909 120.4285 61.2955 39.9874 175.4183 74 K 4.8434 7.7020 124.0877 55.3115 35.6914 174.1998 75 V 4.6987 8.9353 127.9846 61.3144 34.4703 174.1753 76 T 4.6293 9.0676 124.5070 61.8667 71.2178 173.0275 77 V 4.6323 8.8845 127.7832 61.3452 33.8773 173.9419 78 Y 5.0501 9.1406 126.1110 56.5365 40.1727 175.1381 79 L 4.9906 9.1926 126.9649 55.1035 45.3949 177.7172 80 K 4.1383 8.9259 125.7459 56.0127 30.8754 176.9359 81 D 5.5858 8.3597 112.5219 55.2137 43.8464 173.6796 *89 N 4.6624 7.5747 119.5201 52.7407 40.4861 175.6559 90 E 4.0079 8.5900 118.9363 59.2575 30.3690 179.0022 91 V 3.7239 8.1662 112.2821 64.8425 31.9482 177.6732 92 Y 4.0240 7.8057 116.9222 61.2208 37.4623 178.8081 93 A 4.1931 7.8647 120.2286 54.8420 18.4692 179.1028 94 E 4.0468 8.0953 116.8189 59.0698 29.6619 178.0211 95 Y 4.1420 7.9320 114.8631 58.5120 38.7646 176.2546 96 F 5.2337 8.1741 118.0707 57.1204 39.1183 177.5406 97 G 3.6985 8.0831 111.8520 49.8586 0.0000 175.1823 98 E 4.3593 7.9724 115.6415 55.5252 30.5531 179.4509 99 S 4.4040 8.1838 113.1376 61.2234 63.4775 174.3842 100 K 3.7795 7.9149 115.5590 57.1024 29.3009 171.8254 101 P 4.6835 0.0000 0.0000 61.1446 33.6323 176.8002 102 A 4.1491 8.7746 123.2883 52.1891 19.1546 176.8159 103 R 5.0270 8.4482 121.5189 54.5320 33.5350 174.9187 104 V 4.5247 8.3805 122.9405 61.2738 35.1761 173.7923 105 A 5.0970 8.3981 127.9585 50.6861 22.2179 175.3665 106 V 4.5211 8.4798 113.1615 60.2235 37.0884 173.2407 107 E 5.1926 8.7812 121.4801 54.9522 32.1481 175.5135 108 V 4.8181 8.9534 116.7217 59.3231 35.3195 176.3508 109 S 4.2774 8.9304 116.1994 60.8854 62.8812 174.6709 110 R 4.6866 7.5194 115.8076 53.6527 32.4046 173.7460 111 L 4.7178 8.0617 118.1791 51.7296 44.8091 174.1331 112 P 4.2650 0.0000 0.0000 65.0758 31.3484 177.6291 113 K 4.1478 8.8396 123.7862 55.5654 29.1619 171.9483 114 D 4.4107 8.2663 116.4972 56.2502 38.7704 173.9574 115 V 4.1005 7.0132 111.0783 60.5685 33.1176 176.9934 116 L 4.3196 8.6688 120.4608 56.8864 41.9169 177.3330 117 I 4.8498 7.2252 116.1657 59.7974 41.0399 173.4208 118 E 4.9803 9.4221 128.3069 54.5955 33.2800 174.0060 119 I 4.8975 8.9207 127.0541 59.5274 40.7030 174.0027 120 E 5.1462 9.4153 127.5547 54.6567 32.4913 174.3951 121 A 5.2044 8.2850 125.7778 50.7816 23.4973 174.9843 122 I 4.9246 8.7687 119.8397 59.3951 40.8393 174.7633 123 A 5.3028 8.7767 127.1424 50.3401 22.9269 174.1693 124 Y 4.9356 9.4721 120.2379 55.7904 41.7431 174.2878 125 K 4.2184 7.7022 127.9397 53.9601 34.1982 175.8363 126 E 3.9380 8.4046 125.1743 56.7271 29.3648 176.7425 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 1 M 8.30 4.46 0.00 1.96 2.16 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 2 K 8.37 3.96 0.00 1.88 1.83 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.54 7.81 3 E 9.77 4.78 0.00 2.19 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 2.23 2.25 0.00 4 V 8.43 4.33 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 0.89 0.00 0.00 0.96 0.00 0.00 5 I 8.53 4.44 2.06 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 1.13 0.61 0.93 0.00 0.00 6 F 8.66 5.05 0.00 2.91 2.91 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 7 T 7.60 4.17 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 1.14 0.00 0.00 8 E 8.19 4.24 0.00 1.91 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 2.24 2.25 0.00 9 N 7.55 4.55 0.00 2.67 2.82 0.00 0.00 6.63 7.23 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 10 A 7.22 4.80 1.15 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 11 P 0.00 4.31 0.00 2.11 2.06 0.00 3.86 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.28 0.00 12 K 8.60 4.33 0.00 1.82 1.84 0.00 1.90 0.00 0.00 2.00 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.92 1.57 7.81 13 P 0.00 4.25 0.00 1.14 1.37 0.00 3.49 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 14 I 8.10 4.27 1.90 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 1.44 0.77 0.93 0.00 0.00 15 G 6.94 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 16 P 0.00 4.59 0.00 2.23 2.17 0.00 3.86 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 17 Y 7.61 4.95 0.00 3.21 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 18 S 8.37 4.76 0.00 3.90 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 19 Q 8.88 4.38 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.91 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 20 A 7.45 4.88 1.25 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 0.00 0.00 21 I 8.47 5.00 1.97 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 1.18 0.79 1.03 0.00 0.00 22 K 9.28 4.93 0.00 1.87 1.76 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.58 1.68 7.81 23 A 9.21 4.90 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 24 G 9.01 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 25 N 8.86 4.56 0.00 2.49 2.30 0.00 0.00 6.81 8.13 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 26 F 8.04 5.17 0.00 3.36 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 27 L 8.75 4.94 0.00 0.57 0.91 0.77 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 28 F 9.45 4.84 0.00 3.12 3.03 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 29 I 8.44 4.82 2.03 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 1.14 0.86 1.01 0.00 0.00 30 A 9.22 4.44 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 31 G 8.64 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 32 Q 9.41 5.00 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.61 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 33 I 8.17 4.86 1.88 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 1.43 0.69 0.92 0.00 0.00 34 P 0.00 4.69 0.00 2.13 2.40 0.00 3.64 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 35 I 7.38 4.93 1.89 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 1.25 0.70 1.01 0.00 0.00 36 D 8.98 4.68 0.00 2.79 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.02 0.00 2.40 2.31 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 38 K 8.17 4.06 0.00 1.72 1.87 0.00 1.60 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.49 7.81 39 T 7.38 4.38 4.25 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 1.24 0.00 0.00 40 G 9.33 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 41 E 7.71 4.55 0.00 1.95 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 2.45 2.43 0.00 42 I 8.09 4.49 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.49 0.98 0.00 0.00 43 V 8.22 3.84 2.07 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 0.72 0.00 0.00 0.99 0.00 0.00 44 K 8.76 3.95 0.00 1.76 1.77 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.46 1.54 7.81 45 G 8.36 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 46 D 7.73 4.80 0.00 2.67 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 47 I 8.56 3.64 1.89 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 1.57 1.09 0.93 0.00 0.00 48 K 8.50 3.92 0.00 1.87 2.00 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.48 7.81 49 D 8.10 4.37 0.00 2.84 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 50 Q 8.08 3.95 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 51 T 7.85 3.69 4.04 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 0.00 0.00 0.52 0.00 0.00 52 R 7.44 3.62 0.00 1.99 2.07 0.00 3.20 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 53 Q 8.02 3.90 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 54 V 8.21 3.52 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 1.02 0.00 0.00 0.98 0.00 0.00 55 L 7.82 3.75 0.00 0.48 0.13 0.06 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.88 4.03 0.00 2.19 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 2.57 2.51 0.00 57 N 8.33 4.35 0.00 2.86 3.02 0.00 0.00 7.08 7.74 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 58 I 7.90 3.80 2.02 0.00 0.00 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 1.45 0.88 1.01 0.00 0.00 59 K 8.43 4.00 0.00 2.11 2.11 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.65 1.54 7.81 60 A 8.41 4.03 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 61 I 7.75 3.71 2.01 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 1.50 1.23 0.91 0.00 0.00 62 L 8.09 3.98 0.00 1.96 1.82 1.11 0.83 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 63 E 8.49 4.19 0.00 2.20 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 0.00 2.36 2.38 0.00 64 A 7.76 3.99 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 65 A 7.78 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 66 G 8.26 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 0.00 0.00 0.00 67 Y 8.53 4.51 0.00 3.09 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 68 S 8.09 4.81 0.00 3.98 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 69 L 8.49 4.20 0.00 1.81 2.06 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.21 4.73 0.00 2.86 2.98 0.00 0.00 5.96 8.06 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 71 D 8.07 4.73 0.00 3.20 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 72 V 7.74 4.13 2.21 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 0.70 0.00 0.00 1.12 0.00 0.00 73 I 8.59 4.38 1.89 0.00 0.00 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 1.32 0.85 0.98 0.00 0.00 74 K 7.70 4.84 0.00 1.78 1.61 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.47 7.81 75 V 8.94 4.70 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 0.93 0.00 0.00 0.42 0.00 0.00 76 T 9.07 4.63 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 0.63 0.00 0.00 77 V 8.88 4.63 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 1.08 0.00 0.00 0.99 0.00 0.00 78 Y 9.14 5.05 0.00 3.11 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 79 L 9.19 4.99 0.00 1.58 1.61 0.95 0.82 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 80 K 8.93 4.14 0.00 1.54 1.44 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.32 1.03 7.81 81 D 8.36 5.59 0.00 2.60 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 *89 N 7.57 4.66 0.00 3.12 2.94 0.00 0.00 6.63 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 90 E 8.59 4.01 0.00 2.05 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 2.42 2.37 0.00 91 V 8.17 3.72 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 0.71 0.00 0.00 0.56 0.00 0.00 92 Y 7.81 4.02 0.00 2.91 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 93 A 7.86 4.19 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 94 E 8.10 4.05 0.00 2.10 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 2.34 2.71 0.00 95 Y 7.93 4.14 0.00 1.97 2.41 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 96 F 8.17 5.23 0.00 3.25 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 97 G 8.08 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 98 E 7.97 4.36 0.00 2.00 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 2.21 1.86 0.00 99 S 8.18 4.40 0.00 4.03 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 0.00 100 K 7.91 3.78 0.00 1.89 1.78 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.65 7.81 101 P 0.00 4.68 0.00 1.69 2.02 0.00 3.45 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.08 0.00 102 A 8.77 4.15 1.24 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 0.00 0.00 103 R 8.45 5.03 0.00 1.69 1.69 0.00 3.05 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 104 V 8.38 4.52 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 0.79 0.00 0.00 0.87 0.00 0.00 105 A 8.40 5.10 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 0.00 106 V 8.48 4.52 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 0.62 0.00 0.00 1.00 0.00 0.00 107 E 8.78 5.19 0.00 1.92 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 2.32 2.31 0.00 108 V 8.95 4.82 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 0.82 0.00 0.00 1.00 0.00 0.00 109 S 8.93 4.28 0.00 3.97 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 0.00 110 R 7.52 4.69 0.00 1.85 1.87 0.00 3.00 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.68 0.00 111 L 8.06 4.72 0.00 1.84 1.56 1.07 1.03 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 0.00 112 P 0.00 4.26 0.00 2.14 1.98 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 113 K 8.84 4.15 0.00 1.95 1.80 0.00 1.95 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.24 1.02 7.81 114 D 8.27 4.41 0.00 2.68 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 0.00 115 V 7.01 4.10 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 0.76 0.00 0.00 0.98 0.00 0.00 116 L 8.67 4.32 0.00 1.77 1.74 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.23 4.85 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.80 0.92 0.00 0.00 118 E 9.42 4.98 0.00 2.07 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 2.26 2.28 0.00 119 I 8.92 4.90 1.94 0.00 0.00 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 1.23 0.63 1.02 0.00 0.00 120 E 9.42 5.15 0.00 2.20 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 2.28 2.34 0.00 121 A 8.28 5.20 1.21 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 0.00 0.00 0.00 122 I 8.77 4.92 1.81 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 0.98 0.69 0.68 0.00 0.00 123 A 8.78 5.30 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 0.00 124 Y 9.47 4.94 0.00 2.69 2.74 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 0.00 125 K 7.70 4.22 0.00 0.79 1.03 0.00 0.62 0.00 0.00 1.15 0.00 0.00 2.47 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.91 0.99 7.81 126 E 8.40 3.94 0.00 1.87 1.80 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 2.30 2.40 0.00 * Residues marked with a * may have inaccurate shift predictions.