NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 C 4.5458 8.3293 118.3658 59.0857 28.6016 173.1913 11 P 4.3968 0.0000 0.0000 63.6196 32.6153 174.2897 12 L 5.0160 7.6854 122.0524 53.5887 45.0721 176.1239 13 M 4.9463 9.1143 125.4194 53.6962 36.3479 173.8332 14 V 4.8252 8.3696 123.2391 60.9052 35.0581 174.0782 15 K 4.9714 8.9523 128.1121 54.5651 35.5985 174.7420 16 V 4.8002 8.8737 126.6691 61.0911 34.5659 174.1560 17 L 5.1367 8.8937 127.0085 52.9110 45.9780 174.8032 18 D 5.1921 9.1432 121.4102 52.8301 42.4844 176.5824 19 A 4.3425 9.3730 128.5540 53.6940 18.8303 178.7074 20 V 3.8507 8.5757 114.7422 65.3465 31.9288 176.9931 21 R 4.3647 8.8014 115.9681 55.3527 31.0367 175.9675 22 G 3.8563 8.3385 105.6338 46.0226 0.0000 172.8765 23 S 4.7703 7.4541 111.3871 55.6738 67.3115 172.4894 24 P 4.5603 0.0000 0.0000 62.8375 31.7025 176.2754 25 A 4.3136 8.7658 125.6627 50.9777 19.5764 176.4111 26 I 4.2071 8.3546 122.5965 61.1622 39.1179 175.4453 27 N 4.2081 8.5597 122.0503 54.5976 37.8941 173.8089 28 V 4.0876 7.7143 116.6576 61.3553 32.9409 175.0063 29 A 4.5819 8.5702 129.8407 51.9452 20.0293 176.1525 30 V 4.7855 8.7648 121.2505 61.4220 35.0210 173.8409 31 H 5.1322 9.3403 124.9625 53.8353 32.0027 172.9093 32 V 4.8001 8.8401 123.1960 61.1539 34.0809 174.3805 33 F 5.6417 9.4791 125.2941 55.7741 43.4872 173.6899 34 R 4.7077 9.0623 120.9837 54.1432 33.1089 174.5977 35 K 4.0764 8.5687 127.4589 56.0428 32.8076 176.7915 36 A 4.2644 8.4828 130.4592 50.7516 19.8057 177.6172 37 A 4.0875 8.3939 120.7035 53.8019 18.1728 177.8560 38 D 4.7039 7.7237 114.3152 52.7078 39.7713 176.9672 39 D 4.4014 8.0948 118.1264 54.6175 38.6357 173.8407 40 T 4.2588 7.1781 109.2677 60.0438 71.6547 173.6122 41 W 5.2888 8.3902 122.4088 55.4017 30.3594 175.5289 42 E 4.8812 9.1551 123.8138 53.7491 31.4462 173.8309 43 P 4.5733 0.0000 0.0000 63.8764 31.5747 175.2656 44 F 4.8731 8.7010 123.3107 59.5059 41.8839 174.7150 45 A 4.4561 7.6932 116.4632 51.4946 22.0585 175.1041 46 S 4.6590 7.8505 113.3272 57.7550 66.1649 173.4435 47 G 3.9439 7.8251 106.1468 46.2864 0.0000 171.8858 48 K 5.2300 8.5013 118.6777 54.1842 34.9204 176.9905 49 T 4.2204 8.6570 115.0602 61.9562 70.1658 174.7320 50 S 4.6768 8.8871 118.9054 57.3312 64.7385 174.6157 51 E 3.9324 8.7191 119.0570 58.9785 29.1059 178.1634 52 S 4.5086 7.9364 111.8340 57.5764 63.3358 174.7527 53 G 3.8550 8.4711 108.9701 45.6655 0.0000 172.9836 54 E 5.1429 7.7568 118.0913 54.1614 33.2969 174.9233 55 L 4.8968 8.7240 123.5267 54.0418 45.1148 175.0862 56 H 4.8360 8.8220 122.5386 54.0802 32.3749 174.0064 57 G 3.8782 8.6910 104.2973 46.7639 0.0000 175.2175 58 L 3.9762 7.9501 121.6928 57.3544 41.7803 176.6315 59 T 4.4204 7.3043 109.9584 61.2964 70.5867 171.6844 60 T 4.7420 8.0208 112.3194 59.2454 71.4372 174.9454 61 E 4.1090 8.8734 121.8426 59.6945 29.7779 178.4708 62 E 4.1176 8.3377 118.2800 59.1389 29.8153 177.3579 63 E 4.2552 8.0448 117.6541 58.2051 30.4730 176.7533 64 F 4.9165 7.9691 123.1718 57.0544 37.7969 174.6211 65 V 3.9599 7.3096 116.4116 60.3132 33.0172 176.2496 66 E 4.4231 8.0798 120.2046 55.7980 30.5476 177.2809 67 G 3.7273 7.9172 108.9648 46.6838 0.0000 170.5130 68 I 4.8339 7.1816 120.0450 59.9425 39.0374 175.0296 69 Y 5.0961 8.7376 124.4195 55.8595 41.8921 174.4936 70 K 4.7618 8.9451 122.9620 54.5974 35.3718 174.8121 71 V 4.7152 9.2144 128.1879 61.3911 33.4267 173.6889 72 E 4.9839 9.6585 130.6574 54.6187 31.7167 174.3541 73 I 4.6130 8.7540 128.2704 59.3334 39.7890 175.7723 74 D 4.9172 8.8770 129.6160 53.6609 37.3920 176.5963 75 T 3.9844 7.7256 114.4802 64.1000 69.3616 176.6351 76 K 4.1153 8.0725 122.1340 59.6706 32.3785 178.7047 77 S 4.1461 8.3631 115.4473 61.6633 62.4695 176.0720 78 Y 3.8898 7.3491 119.8327 60.6424 38.8685 178.0739 79 W 4.3607 8.0181 119.7498 59.6663 29.1070 178.7390 80 K 4.1534 8.4731 118.4188 59.4541 31.2810 179.1710 81 A 4.0257 7.8251 119.7693 54.1669 18.3211 178.5439 82 L 4.3931 7.6053 115.7035 54.1372 42.0037 177.1334 83 G 3.8870 8.1327 107.1571 46.0351 0.0000 173.3251 84 I 4.3628 7.6875 119.5456 58.9377 39.2940 175.3370 85 S 4.3148 8.7360 120.9958 56.9877 61.8444 171.6726 86 P 4.3534 0.0000 0.0000 61.1748 33.1376 175.9332 87 F 3.9629 8.2578 120.8945 61.0675 39.3433 175.6485 88 H 4.5480 7.8566 115.7516 54.8614 29.6068 175.4763 89 E 4.0325 8.6403 122.3801 59.6599 29.5525 176.0824 90 H 4.7029 7.4893 110.9349 55.8525 31.3641 172.9348 91 A 4.4107 8.5165 120.1205 49.8482 21.2257 174.9938 92 E 5.0116 8.8465 122.8998 54.2214 32.6533 175.1252 93 V 4.5115 9.0596 126.5044 61.1928 34.3928 174.0789 94 V 5.1314 8.5950 127.9123 61.1584 33.8289 174.3582 95 F 5.1124 8.8888 121.1846 56.3092 41.6882 172.8775 96 T 4.9365 8.7050 116.6330 62.4828 70.0069 174.1916 97 A 4.4472 8.9992 129.1830 51.2321 20.0835 175.9107 98 N 4.9871 8.4122 119.8894 50.9757 41.0380 174.2065 99 D 4.2146 8.2357 122.9807 51.4457 40.1729 177.1007 *104 R 4.3604 8.4810 123.3004 56.2415 32.1174 174.0897 105 Y 4.9704 9.1831 121.6271 56.5178 40.6474 174.6850 106 T 4.8818 8.9182 121.6944 61.8341 71.4368 173.3624 107 I 4.6628 8.6993 128.0824 59.8094 38.9783 174.5297 108 A 5.2778 8.8470 129.4912 50.1525 21.7731 175.2089 109 A 5.1963 8.9849 121.9895 50.1064 23.2280 174.7507 110 L 5.0458 9.2477 124.0918 53.2540 44.8225 175.0226 111 L 5.4251 9.0027 126.2666 53.3525 44.5848 175.7821 112 S 5.1069 9.4956 118.0463 56.1067 67.3820 173.3902 113 P 3.1165 0.0000 0.0000 65.0714 31.0628 177.7942 114 Y 4.6212 7.7985 111.9779 57.3365 38.6893 174.9578 115 S 4.7668 7.9852 114.2216 57.3102 65.7263 172.2966 116 Y 5.5175 7.7525 122.2074 55.7799 41.0625 173.7974 117 S 4.8729 9.2366 114.8262 56.9310 66.0644 172.5918 118 T 5.2510 8.4735 118.6933 60.8393 70.5112 172.4978 119 T 4.8293 8.9451 120.7897 60.3253 71.6491 171.8582 120 A 5.0458 8.5405 126.7532 50.0652 21.4422 176.0955 121 V 4.1288 8.7898 122.8975 61.1495 33.8785 174.6956 122 V 4.5817 8.3487 128.9913 61.2148 33.0377 175.3253 123 T 4.2359 8.2996 117.9730 61.8003 68.4090 173.8364 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 10 C 8.33 4.55 0.00 2.99 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 11 P 0.00 4.40 0.00 2.30 2.46 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.22 0.00 12 L 7.69 5.02 0.00 0.66 1.08 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.11 4.95 0.00 1.95 1.71 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.45 0.00 14 V 8.37 4.83 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 0.95 0.00 0.00 0.89 0.00 0.00 15 K 8.95 4.97 0.00 1.78 1.54 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.43 7.81 16 V 8.87 4.80 1.89 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 0.73 0.00 0.00 0.81 0.00 0.00 17 L 8.89 5.14 0.00 1.59 1.51 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.14 5.19 0.00 2.64 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 19 A 9.37 4.34 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.58 3.85 2.59 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 0.95 0.00 0.00 1.00 0.00 0.00 21 R 8.80 4.36 0.00 1.92 2.03 0.00 3.39 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 22 G 8.34 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 0.00 0.00 0.00 23 S 7.45 4.77 0.00 3.88 3.96 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 24 P 0.00 4.56 0.00 1.94 2.13 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 25 A 8.77 4.31 0.46 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 0.00 0.00 26 I 8.35 4.21 1.90 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 1.39 0.78 0.92 0.00 0.00 27 N 8.56 4.21 0.00 2.87 2.92 0.00 0.00 7.08 7.08 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 28 V 7.71 4.09 1.91 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 0.86 0.00 0.00 0.57 0.00 0.00 29 A 8.57 4.58 1.27 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 30 V 8.76 4.79 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 0.91 0.00 0.00 0.86 0.00 0.00 31 H 9.34 5.13 0.00 3.21 2.56 0.00 5.82 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.84 4.80 2.30 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 1.23 0.00 0.00 0.93 0.00 0.00 33 F 9.48 5.64 0.00 2.92 3.20 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 34 R 9.06 4.71 0.00 1.45 1.61 0.00 2.65 0.00 0.00 2.89 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.00 35 K 8.57 4.08 0.00 1.43 1.34 0.00 1.46 0.00 0.00 1.37 0.00 0.00 2.38 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.88 0.21 7.81 36 A 8.48 4.26 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 37 A 8.39 4.09 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 38 D 7.72 4.70 0.00 2.71 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 39 D 8.09 4.40 0.00 2.75 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 40 T 7.18 4.26 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 1.19 0.00 0.00 41 W 8.39 5.29 0.00 2.94 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 42 E 9.16 4.88 0.00 2.15 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 0.00 2.47 2.42 0.00 43 P 0.00 4.57 0.00 2.06 2.13 0.00 3.79 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 2.19 2.45 0.00 44 F 8.70 4.87 0.00 3.07 3.15 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 45 A 7.69 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 7.85 4.66 0.00 3.58 3.52 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 47 G 7.83 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 48 K 8.50 5.23 0.00 1.57 1.66 0.00 1.78 0.00 0.00 1.80 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.31 7.81 49 T 8.66 4.22 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 1.16 0.00 0.00 50 S 8.89 4.68 0.00 3.98 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 51 E 8.72 3.93 0.00 1.97 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 0.00 2.31 2.24 0.00 52 S 7.94 4.51 0.00 3.99 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 53 G 8.47 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 54 E 7.76 5.14 0.00 1.94 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 0.00 2.26 2.42 0.00 55 L 8.72 4.90 0.00 1.63 1.39 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.82 4.84 0.00 2.99 3.16 0.00 5.85 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 57 G 8.69 3.88 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 0.00 0.00 0.00 58 L 7.95 3.98 0.00 1.54 1.66 0.85 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.30 4.42 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 1.03 0.00 0.00 60 T 8.02 4.74 4.28 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 1.20 0.00 0.00 61 E 8.87 4.11 0.00 2.05 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 2.40 2.36 0.00 62 E 8.34 4.12 0.00 1.95 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 2.33 2.41 0.00 63 E 8.04 4.26 0.00 2.06 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 0.00 2.73 2.39 0.00 64 F 7.97 4.92 0.00 3.15 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 65 V 7.31 3.96 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 0.81 0.00 0.00 0.94 0.00 0.00 66 E 8.08 4.42 0.00 1.88 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 2.54 2.29 0.00 67 G 7.92 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 0.00 0.00 0.00 68 I 7.18 4.83 1.73 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 1.33 0.69 1.06 0.00 0.00 69 Y 8.74 5.10 0.00 1.68 2.51 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 70 K 8.95 4.76 0.00 0.79 0.86 0.00 1.41 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.07 1.01 7.81 71 V 9.21 4.72 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 0.93 0.00 0.00 1.15 0.00 0.00 72 E 9.66 4.98 0.00 2.05 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 2.02 2.19 0.00 73 I 8.75 4.61 1.74 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 1.04 0.48 0.78 0.00 0.00 74 D 8.88 4.92 0.00 2.74 2.66 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 75 T 7.73 3.98 4.46 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 1.15 0.00 0.00 76 K 8.07 4.12 0.00 2.17 1.90 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.58 7.81 77 S 8.36 4.15 0.00 4.02 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 78 Y 7.35 3.89 0.00 2.76 2.83 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 79 W 8.02 4.36 0.00 3.53 3.33 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 80 K 8.47 4.15 0.00 1.83 1.89 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.75 7.81 81 A 7.83 4.03 1.27 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 82 L 7.61 4.39 0.00 1.83 1.74 0.49 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.13 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 84 I 7.69 4.36 2.28 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.81 0.80 0.00 0.00 85 S 8.74 4.31 0.00 3.86 3.84 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 86 P 0.00 4.35 0.00 2.24 2.03 0.00 3.83 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.16 0.00 87 F 8.26 3.96 0.00 1.91 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 88 H 7.86 4.55 0.00 3.30 3.48 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.64 4.03 0.00 1.78 1.94 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 2.18 2.16 0.00 90 H 7.49 4.70 0.00 3.26 3.28 0.00 5.08 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 91 A 8.52 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.85 5.01 0.00 2.02 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 2.05 2.14 0.00 93 V 9.06 4.51 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 0.82 0.00 0.00 0.99 0.00 0.00 94 V 8.60 5.13 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 1.16 0.00 0.00 0.89 0.00 0.00 95 F 8.89 5.11 0.00 3.19 3.13 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 0.00 0.00 0.00 0.00 96 T 8.71 4.94 4.34 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 1.26 0.00 0.00 97 A 9.00 4.45 0.68 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 98 N 8.41 4.99 0.00 2.69 2.81 0.00 0.00 6.99 8.11 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 99 D 8.24 4.21 0.00 2.69 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 *104 R 8.48 4.36 0.00 1.86 1.90 0.00 3.07 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 105 Y 9.18 4.97 0.00 2.93 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 0.00 106 T 8.92 4.88 4.20 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 1.16 0.00 0.00 107 I 8.70 4.66 1.83 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.91 0.89 0.00 0.00 108 A 8.85 5.28 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 0.00 109 A 8.98 5.20 1.17 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 0.00 110 L 9.25 5.05 0.00 1.76 1.57 0.98 0.44 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 0.00 111 L 9.00 5.43 0.00 1.85 2.00 0.57 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 112 S 9.50 5.11 0.00 3.75 3.67 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 0.00 113 P 0.00 3.12 0.00 2.04 1.61 0.00 3.22 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.50 0.00 114 Y 7.80 4.62 0.00 2.77 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 0.00 115 S 7.99 4.77 0.00 3.78 3.69 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 0.00 116 Y 7.75 5.52 0.00 3.11 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 0.00 117 S 9.24 4.87 0.00 3.91 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 0.00 118 T 8.47 5.25 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 1.33 0.00 0.00 119 T 8.95 4.83 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 1.20 0.00 0.00 120 A 8.54 5.05 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.79 4.13 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 0.97 0.00 0.00 0.90 0.00 0.00 122 V 8.35 4.58 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 0.21 0.00 0.00 0.69 0.00 0.00 123 T 8.30 4.24 4.20 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 1.16 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.