NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.5231 8.4104 110.3207 62.1316 70.1938 174.0784 4 A 4.3967 7.9629 123.9639 52.5152 21.1099 175.7918 5 Y 4.9840 8.3703 112.8964 58.4764 40.7454 176.3841 6 D 4.6771 8.1665 117.9542 54.8883 40.4834 177.4532 7 V 4.1348 8.9677 120.4304 64.8697 33.0468 175.7236 8 I 4.0085 7.7125 120.1419 61.5132 37.3118 173.9805 9 L 4.7932 9.0798 124.2666 55.6138 43.5155 176.2837 10 A 4.9876 7.8669 118.7314 49.8538 22.9902 173.0383 11 P 5.0477 0.0000 0.0000 62.5470 32.3908 176.5151 12 V 4.2024 8.0982 122.4110 60.9201 33.0575 176.3564 13 L 4.1921 8.4660 121.9616 52.8622 43.1545 175.7897 14 S 4.5495 7.2451 116.5098 55.1740 66.4061 175.1321 15 E 3.9954 8.9780 121.7930 60.0059 28.9582 179.6420 16 K 3.7526 8.0761 117.0020 59.6760 32.3832 177.8927 17 A 4.0352 8.0863 121.1171 55.4867 18.2408 179.1395 18 Y 3.4692 7.5701 114.1874 61.0905 37.7733 178.7089 19 A 4.1336 8.7823 122.1544 55.4809 18.3394 179.7713 20 G 3.7277 8.2725 103.4876 48.2119 0.0000 175.7145 21 F 3.9036 9.4884 119.3339 61.0734 39.2316 177.6838 22 A 4.1776 7.4950 122.1350 54.4511 20.0070 177.1355 23 E 4.4312 8.6985 111.1360 56.0876 29.5106 177.8625 24 G 3.5841 9.5269 103.1403 45.8489 0.0000 173.2190 25 K 3.7862 7.7579 126.3901 56.4761 33.2147 174.2205 26 Y 4.4517 7.8645 118.9068 55.8606 40.9160 174.1507 27 T 4.2001 7.8527 112.7549 60.4314 69.7418 173.0807 28 F 4.9481 7.9818 122.5250 54.9739 43.7310 174.3499 29 W 4.5114 9.3156 122.2925 57.3664 29.7783 176.1372 30 V 5.2132 7.8905 126.3291 61.2971 33.7846 173.5882 31 H 4.6125 8.8777 119.7671 55.0563 30.1178 174.2308 32 P 4.0050 0.0000 0.0000 65.6209 31.9313 177.9491 33 K 4.3093 7.3942 119.0581 56.0448 35.3703 175.9448 34 A 3.7594 8.8298 119.1375 53.5763 16.7025 178.6858 35 T 3.7450 8.7469 110.9581 64.6746 67.6705 175.1479 36 K 4.6551 7.8221 117.0054 56.0776 31.4586 175.8655 37 T 3.9303 8.5917 120.9745 66.4254 68.6816 175.7498 38 E 4.4639 8.2533 120.1943 56.7987 28.6911 177.3390 39 I 4.3186 7.8309 111.6844 61.0523 37.6757 177.2872 40 K 4.1140 7.6088 121.9465 60.2301 33.4311 178.6735 41 N 4.8322 8.0297 117.9387 50.9309 36.3180 174.5290 42 A 4.6023 7.6341 120.2103 54.5787 23.1360 178.2326 43 V 3.9738 7.8609 115.2551 63.6784 31.7246 177.4426 44 E 4.3382 8.2177 116.8631 57.1869 29.8768 177.2917 45 T 4.5581 7.8856 108.2982 61.5260 69.5658 174.3710 46 A 4.2645 7.9352 124.1183 53.0821 21.0013 177.2263 47 F 4.5643 8.6078 111.3561 56.2233 39.4071 176.4941 48 K 3.8679 8.0516 114.1482 56.2279 28.4908 173.6058 49 V 4.4204 7.4157 113.8327 60.4521 36.2239 171.7775 50 K 4.6125 8.6160 122.3909 55.2371 34.1450 175.2689 51 V 4.5005 8.3171 128.6169 61.7280 32.1546 175.8121 52 V 4.1551 8.2120 126.2877 62.3946 32.4565 174.8043 53 K 4.3865 7.1367 116.9940 56.6073 35.1205 173.5538 54 V 4.9630 8.4123 124.4877 61.4855 34.8670 173.8136 55 N 5.3266 8.4816 121.1019 52.1235 42.8104 173.6702 56 T 4.8417 8.2150 108.9995 60.8043 71.5649 173.4066 57 L 4.7130 8.4477 122.9681 55.0021 46.1426 173.8696 58 H 5.4763 8.0207 117.4658 58.7655 33.5764 173.3436 59 V 4.0781 8.2701 119.4772 61.2085 36.7151 176.8576 60 R 3.2767 9.0252 124.6100 58.4469 27.6454 175.4124 61 G 4.0276 8.1196 116.0876 44.6833 0.0000 171.6296 62 K 4.8449 8.0939 119.6856 55.1494 35.3262 175.6787 63 K 4.5539 8.1152 117.6038 55.5945 36.4239 175.7585 64 K 4.4782 8.4558 124.9417 55.0914 34.8107 176.2701 65 R 4.0202 8.7143 121.1662 57.7141 28.4560 175.3909 66 L 4.1345 9.3117 128.1423 55.4941 43.2841 174.2308 67 G 4.1482 7.2708 109.1991 43.7806 0.0000 173.7934 68 R 5.0832 8.8419 121.4332 56.1262 32.2945 173.8434 69 Y 3.2303 8.6073 115.1337 58.9452 35.4281 169.9490 70 L 4.4959 8.4466 125.9230 53.6679 45.0118 178.9629 71 G 3.9402 7.6418 108.6943 46.0079 0.0000 173.3649 72 K 4.6752 8.1098 126.0146 56.6238 32.0262 178.2087 73 R 4.6542 9.0116 110.0009 56.1761 29.2935 172.6048 74 P 3.9779 0.0000 0.0000 61.3522 31.7151 174.4074 75 D 5.0467 8.9357 122.5760 53.2750 43.1757 174.8011 76 R 4.5254 7.6687 115.4904 54.7750 32.9061 173.6284 77 K 5.1441 8.3727 126.4303 55.2782 35.9215 174.5398 78 K 3.9355 8.1170 121.9004 56.9173 33.1446 174.8801 79 A 4.7309 8.1718 125.4190 50.4720 20.3593 176.7722 80 I 3.7671 8.9419 123.6584 62.2085 39.1230 175.7222 81 V 3.8641 7.9113 120.7840 60.7098 31.6016 170.9756 82 Q 4.0353 8.8925 123.3447 55.9720 29.3356 176.8448 83 V 3.6941 9.4432 113.4740 64.2715 30.7362 174.2800 84 A 4.2667 9.1464 128.8389 52.0708 16.2270 178.2794 85 P 4.1486 0.0000 0.0000 65.2535 31.4874 175.7129 86 G 4.0034 7.4410 106.9317 45.1176 0.0000 172.5696 87 Q 4.5275 7.8487 122.8441 54.0068 32.3132 171.1537 88 K 3.7200 9.4296 122.9607 57.1961 31.9921 177.2999 89 I 3.5283 8.7215 121.3195 61.6282 35.7003 173.8819 90 E 4.2282 7.4809 120.4650 59.1705 29.2093 177.4792 91 A 4.1992 8.2160 122.3191 53.6566 19.2719 177.2316 92 L 4.3555 7.4318 116.7609 55.7812 41.5321 176.7923 93 E 3.9121 8.2896 124.8590 55.5889 28.1594 173.4241 94 G 3.1603 6.5783 112.5852 46.5665 0.0000 174.2582 *95 L 4.1219 7.3531 126.1038 53.6302 41.6291 178.8152 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 3 T 8.41 4.52 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 1.18 0.00 0.00 4 A 7.96 4.40 0.96 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 0.00 0.00 5 Y 8.37 4.98 0.00 2.99 2.82 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 6 D 8.17 4.68 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.97 4.13 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 0.99 0.00 0.00 0.95 0.00 0.00 8 I 7.71 4.01 1.80 0.00 0.00 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 0.96 0.10 0.67 0.00 0.00 9 L 9.08 4.79 0.00 1.82 1.75 1.08 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.87 4.99 1.45 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 11 P 0.00 5.05 0.00 2.24 2.61 0.00 3.91 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 12 V 8.10 4.20 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 0.46 0.00 0.00 0.59 0.00 0.00 13 L 8.47 4.19 0.00 1.63 1.64 1.05 0.95 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 14 S 7.25 4.55 0.00 3.87 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 15 E 8.98 4.00 0.00 2.07 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 0.00 2.43 2.52 0.00 16 K 8.08 3.75 0.00 1.71 1.79 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.51 7.81 17 A 8.09 4.04 1.05 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 0.00 0.00 18 Y 7.57 3.47 0.00 2.92 2.40 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 19 A 8.78 4.13 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 20 G 8.27 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 0.00 0.00 0.00 21 F 9.49 3.90 0.00 2.94 3.21 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 22 A 7.50 4.18 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 23 E 8.70 4.43 0.00 1.89 1.59 0.00 0.00 0.00 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 2.25 0.00 24 G 9.53 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.76 3.79 0.00 1.60 1.63 0.00 1.48 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.18 1.15 7.81 26 Y 7.86 4.45 0.00 2.84 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 27 T 7.85 4.20 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 0.92 0.00 0.00 28 F 7.98 4.95 0.00 2.90 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 29 W 9.32 4.51 0.00 3.38 3.16 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 30 V 7.89 5.21 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 1.18 0.00 0.00 1.06 0.00 0.00 31 H 8.88 4.61 0.00 3.19 3.32 0.00 6.02 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.01 0.00 2.16 2.10 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.94 0.00 33 K 7.39 4.31 0.00 1.93 2.01 0.00 1.60 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.40 7.81 34 A 8.83 3.76 1.45 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 35 T 8.75 3.75 4.62 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 1.25 0.00 0.00 36 K 7.82 4.66 0.00 2.13 2.13 0.00 1.39 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.41 1.79 7.81 37 T 8.59 3.93 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 38 E 8.25 4.46 0.00 2.02 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 2.33 2.39 0.00 39 I 7.83 4.32 1.86 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 1.54 0.55 1.04 0.00 0.00 40 K 7.61 4.11 0.00 1.96 2.05 0.00 1.31 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.42 7.81 41 N 8.03 4.83 0.00 2.84 2.94 0.00 0.00 6.10 7.26 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 42 A 7.63 4.60 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 43 V 7.86 3.97 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 0.76 0.00 0.00 0.29 0.00 0.00 44 E 8.22 4.34 0.00 2.49 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 0.00 2.58 2.32 0.00 45 T 7.89 4.56 4.32 0.00 0.00 0.00 0.00 0.00 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 46 A 7.94 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.61 4.56 0.00 2.92 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 48 K 8.05 3.87 0.00 1.84 1.82 0.00 1.83 0.00 0.00 0.61 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.40 7.81 49 V 7.42 4.42 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 0.61 0.00 0.00 1.00 0.00 0.00 50 K 8.62 4.61 0.00 1.81 1.66 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.40 7.81 51 V 8.32 4.50 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 0.75 0.00 0.00 0.93 0.00 0.00 52 V 8.21 4.16 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 0.84 0.00 0.00 0.93 0.00 0.00 53 K 7.14 4.39 0.00 1.80 1.54 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.76 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.31 7.81 54 V 8.41 4.96 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 0.86 0.00 0.00 0.97 0.00 0.00 55 N 8.48 5.33 0.00 2.56 2.60 0.00 0.00 6.72 7.42 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 56 T 8.21 4.84 4.40 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 1.20 0.00 0.00 57 L 8.45 4.71 0.00 1.73 1.54 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.02 5.48 0.00 3.14 3.23 0.00 5.80 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 59 V 8.27 4.08 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 0.78 0.00 0.00 1.20 0.00 0.00 60 R 9.03 3.28 0.00 2.12 2.15 0.00 3.22 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 61 G 8.12 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 62 K 8.09 4.84 0.00 1.53 1.63 0.00 1.63 0.00 0.00 1.45 0.00 0.00 2.41 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.93 1.23 7.81 63 K 8.12 4.55 0.00 1.67 1.64 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.41 7.81 64 K 8.46 4.48 0.00 1.75 1.71 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.42 7.81 65 R 8.71 4.02 0.00 1.90 2.27 0.00 3.47 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.46 0.00 66 L 9.31 4.13 0.00 1.84 1.84 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.27 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 68 R 8.84 5.08 0.00 1.87 1.78 0.00 3.00 0.00 0.00 3.90 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.69 0.00 69 Y 8.61 3.23 0.00 3.03 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 70 L 8.45 4.50 0.00 1.45 1.83 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.64 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 72 K 8.11 4.68 0.00 1.82 0.89 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.22 1.38 7.81 73 R 9.01 4.65 0.00 1.97 2.02 0.00 3.09 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 74 P 0.00 3.98 0.00 2.39 2.10 0.00 3.60 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 1.99 1.62 0.00 75 D 8.94 5.05 0.00 2.73 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 76 R 7.67 4.53 0.00 1.80 2.26 0.00 2.92 0.00 0.00 2.95 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.65 0.00 77 K 8.37 5.14 0.00 1.67 2.00 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.10 0.86 7.81 78 K 8.12 3.94 0.00 1.71 1.75 0.00 1.46 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.40 1.26 7.81 79 A 8.17 4.73 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 80 I 8.94 3.77 1.83 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 1.29 0.89 0.00 0.00 81 V 7.91 3.86 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 0.68 0.00 0.00 0.90 0.00 0.00 82 Q 8.89 4.04 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.13 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 83 V 9.44 3.69 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 0.70 0.00 0.00 0.93 0.00 0.00 84 A 9.15 4.27 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 85 P 0.00 4.15 0.00 2.06 2.18 0.00 3.87 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 2.05 2.13 0.00 86 G 7.44 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 87 Q 7.85 4.53 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.02 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 88 K 9.43 3.72 0.00 2.22 2.01 0.00 1.70 0.00 0.00 1.90 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.58 7.81 89 I 8.72 3.53 2.13 0.00 0.00 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 1.64 0.42 1.06 0.00 0.00 90 E 7.48 4.23 0.00 2.13 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 2.51 2.67 0.00 91 A 8.22 4.20 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 92 L 7.43 4.36 0.00 1.84 1.67 1.02 0.74 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 93 E 8.29 3.91 0.00 1.99 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 0.00 2.27 2.04 0.00 94 G 6.58 3.16 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 0.00 *95 L 7.35 4.12 0.00 1.42 1.50 0.92 0.72 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 * Residues marked with a * may have inaccurate shift predictions.