NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 C 4.5779 8.3293 117.6282 57.5091 28.6626 172.9888 11 P 4.5712 0.0000 0.0000 62.6266 32.8434 174.2589 12 L 5.1301 7.7723 122.5802 53.8330 45.2095 175.9878 13 M 4.9679 9.2356 125.6875 53.7034 36.2469 173.8709 14 V 4.8726 8.3718 123.8182 60.9114 35.0625 174.0100 15 K 4.9586 9.1346 128.6306 54.5738 35.4530 174.7596 16 V 4.8481 8.8812 126.7773 61.1234 34.6200 174.1262 17 L 5.0977 8.8715 127.2072 52.9459 45.7620 174.8124 18 D 5.1317 9.2448 121.6428 52.8938 42.3503 176.6149 19 A 4.3699 9.4006 128.3271 53.3533 18.6420 178.3202 20 V 3.9662 9.0213 115.5570 64.8373 32.0924 177.2402 21 R 4.2372 8.5559 116.4039 55.9787 31.0151 175.9524 22 G 3.8131 8.5222 105.1418 45.7255 0.0000 172.4216 23 S 4.8159 7.4350 111.7391 55.7266 67.1834 172.6315 24 P 4.5930 0.0000 0.0000 63.1942 31.8868 175.8606 25 A 4.3703 8.7678 124.2829 51.0524 19.6283 176.2863 26 I 4.3138 8.3901 122.7032 61.1978 39.1023 175.7345 27 N 4.2621 8.5575 121.4441 54.3364 36.5699 174.3453 28 V 4.0028 7.7472 118.8865 62.1936 32.8112 175.0787 29 A 4.6794 8.6077 130.0063 51.9022 20.0095 176.0670 30 V 4.7882 8.8205 121.3715 61.3857 35.0745 173.8831 31 H 5.1307 9.2708 124.7836 53.8486 31.9765 172.9143 32 V 4.8276 8.8838 122.9300 61.1270 34.1197 174.3637 33 F 5.5913 9.4700 125.7402 55.7272 43.2055 173.9727 34 R 4.8419 9.4061 121.1521 54.0714 33.1136 174.4657 35 K 4.0245 8.7091 128.4780 56.3447 32.7389 176.6129 36 A 4.3669 8.7332 130.8008 50.3108 20.5009 177.5401 37 A 3.8968 8.5527 122.2441 55.6445 18.1710 178.7392 38 D 4.3424 7.9818 114.0460 54.5929 39.6248 177.2499 *39 D 4.5978 8.5613 120.7085 54.4671 38.2882 179.8015 40 T 4.3200 7.1591 113.3317 61.2818 70.8659 178.5273 41 W 4.9982 8.4459 121.1998 56.6275 29.4593 175.9269 42 E 4.6012 9.1260 125.7238 54.6937 30.6074 174.8051 43 P 4.5166 0.0000 0.0000 63.6775 31.5165 175.0389 44 F 4.8402 8.8923 125.0602 59.3680 41.5248 174.6908 45 A 4.5031 7.7306 117.0940 51.5814 22.2256 174.7810 46 S 4.6921 7.9347 112.7112 57.8630 66.2209 173.7582 47 G 4.0176 7.9952 105.3331 46.2720 0.0000 172.1171 48 K 5.3241 8.5429 118.1121 54.4475 36.0239 176.9542 49 T 4.3026 8.5726 114.3434 61.8216 70.3867 174.9117 50 S 4.6731 8.6800 118.5368 57.2288 65.0329 174.5598 51 E 3.9607 8.6844 118.9501 58.9477 29.0983 178.0131 52 S 4.4131 7.9057 111.7165 57.7561 63.6596 175.1263 53 G 3.9458 8.4323 110.2838 45.0819 0.0000 172.5990 54 E 5.0299 7.5496 117.9422 54.2960 32.6905 175.0758 55 L 4.7903 8.7417 124.5232 53.9571 44.6480 175.1558 56 H 4.8691 8.8627 122.8516 54.4747 31.8116 174.8158 57 G 3.8905 8.7424 105.1793 46.4115 0.0000 174.9513 58 L 3.9787 7.8653 121.4574 57.5018 41.7109 176.5021 59 T 4.4417 7.2359 109.9795 61.2896 70.4477 171.5274 60 T 4.7550 8.1899 113.6822 59.8112 71.7648 175.1774 61 E 4.1850 8.9748 118.0841 59.3339 29.9205 179.1965 62 E 4.2271 8.4596 120.1300 60.0320 29.7182 178.8440 63 E 4.2881 8.1000 113.3843 58.3261 30.4275 179.1954 64 F 5.2413 8.1997 121.9260 57.5745 37.6182 174.5751 65 V 3.9992 7.6104 117.4617 59.8506 33.3182 175.6328 66 E 4.5031 8.0959 121.1532 55.7391 30.5586 176.4846 67 G 4.0348 7.9278 111.4431 46.6471 0.0000 170.2741 68 I 4.8356 7.1555 120.0595 59.8538 39.1401 174.9995 69 Y 5.1520 8.7737 124.4849 55.8929 41.8433 174.5609 70 K 4.8381 9.2217 123.3220 54.6564 35.3342 174.8371 71 V 4.6863 9.1205 128.5172 61.4472 33.3243 173.8315 72 E 4.9456 9.4704 130.4046 54.6467 31.6291 174.3551 73 I 4.4236 8.8204 128.7163 59.6948 39.1978 176.1006 74 D 4.8093 8.8787 130.7283 53.3670 37.8370 177.1968 75 T 3.8518 7.6979 114.0269 64.3746 69.2985 176.5577 76 K 4.0868 7.8103 121.1662 59.6919 32.3561 178.9607 77 S 4.1425 8.1595 114.8309 61.5784 62.5556 175.9922 78 Y 3.9148 7.6966 122.3553 60.5868 38.5100 178.1755 79 W 4.3528 8.3016 119.9537 59.8124 29.1782 178.7943 80 K 4.2446 8.8505 119.7735 58.7324 31.2340 179.2112 81 A 4.1055 7.7957 120.0949 54.1593 18.3234 178.5364 82 L 4.3780 7.0974 114.3644 54.0106 41.9566 176.8148 83 G 3.9055 8.0090 106.8679 46.6659 0.0000 173.7835 84 I 4.4993 8.0722 119.4785 59.1271 40.1639 175.4598 85 S 4.5866 8.5959 120.9713 56.6211 62.3936 172.2645 86 P 4.3882 0.0000 0.0000 61.1198 33.1616 175.9372 87 F 3.9435 8.2873 120.3127 60.7552 39.3752 175.6487 88 H 4.5860 7.8561 115.7241 54.7773 30.1189 175.3452 89 E 3.9999 8.6599 122.6910 59.6212 29.5338 176.0987 90 H 5.0950 7.6396 110.3130 56.0013 31.5069 172.4673 91 A 4.1131 8.5811 120.1297 49.9188 21.0380 175.5206 92 E 5.0407 8.7630 121.2033 54.3962 32.8557 175.7327 93 V 4.4327 9.0285 123.8197 61.2408 34.3869 174.1552 94 V 5.2046 8.5999 128.2547 61.1095 33.6180 174.5008 95 F 5.1240 8.7803 121.4996 55.9142 41.5736 173.4818 96 T 4.6767 8.7354 117.6686 63.4874 69.3913 173.8463 97 A 4.6714 8.8903 127.7108 50.7009 22.4547 176.0211 98 N 5.1423 9.8684 116.4655 53.9513 36.6821 176.6034 99 D 5.2096 8.2301 119.1342 55.2004 39.7139 176.7956 100 S 4.6324 8.0945 115.6102 58.3417 63.8736 173.9042 101 G 3.9776 7.8465 106.3352 43.6366 0.0000 172.1675 102 P 4.8322 0.0000 0.0000 62.9438 31.6608 175.8082 103 R 4.7260 8.9138 119.8714 54.4648 34.4677 174.6036 104 R 4.8484 8.5738 119.6622 55.0073 32.3015 175.0869 105 Y 5.0410 9.3378 122.0169 56.4544 40.9577 174.7056 106 T 4.8977 9.0003 121.2950 61.8885 71.3089 173.2904 107 I 4.6987 8.9240 128.2245 59.6928 39.2252 174.4865 108 A 5.2832 8.8400 129.3566 50.0984 21.7783 175.0900 109 A 5.2058 9.1060 122.4381 50.1341 23.2978 174.6906 110 L 5.0743 9.2619 123.6889 53.2036 45.0293 174.9974 111 L 5.3950 8.9699 126.0242 53.2821 44.7340 175.7633 112 S 5.2451 9.5035 118.6703 56.0386 67.0873 173.3963 113 P 3.1460 0.0000 0.0000 65.1292 31.1003 177.7673 114 Y 4.6282 7.7705 112.1391 57.2388 38.5888 174.9510 115 S 4.7861 7.9716 113.5238 57.4631 65.7090 172.6531 116 Y 5.5707 7.9236 122.5365 55.7994 41.2968 174.2345 117 S 4.8027 9.1513 115.7825 57.2329 67.2285 173.0892 118 T 5.2080 8.5409 116.9693 60.9005 70.6536 172.3789 119 T 4.8514 8.9449 120.1838 60.4919 71.7188 171.9301 120 A 5.1362 8.5323 125.8430 50.0001 21.9083 175.6021 121 V 4.2563 8.7306 122.0881 61.0166 33.9016 174.4858 122 V 4.6801 8.4008 127.8350 61.2186 33.4375 174.4759 123 T 4.6461 8.5569 117.5592 59.7735 72.4757 173.8974 124 N 4.4374 8.5205 119.5608 53.7850 39.0622 174.6361 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 4.58 0.00 2.75 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 11 P 0.00 4.57 0.00 2.66 2.53 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 12 L 7.77 5.13 0.00 0.89 1.14 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.24 4.97 0.00 1.97 1.76 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 2.18 2.46 0.00 14 V 8.37 4.87 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 0.88 0.00 0.00 15 K 9.13 4.96 0.00 1.75 1.54 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.30 7.81 16 V 8.88 4.85 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 0.76 0.00 0.00 0.80 0.00 0.00 17 L 8.87 5.10 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 1.31 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.24 5.13 0.00 2.67 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 19 A 9.40 4.37 1.42 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 0.00 0.00 0.00 20 V 9.02 3.97 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 0.93 0.00 0.00 1.04 0.00 0.00 21 R 8.56 4.24 0.00 1.94 2.03 0.00 3.44 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 22 G 8.52 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 0.00 0.00 0.00 23 S 7.43 4.82 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 4.59 0.00 2.11 2.19 0.00 3.76 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 2.02 1.98 0.00 25 A 8.77 4.37 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 4.31 1.91 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 1.59 0.79 0.94 0.00 0.00 27 N 8.56 4.26 0.00 2.93 2.95 0.00 0.00 6.92 7.40 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 28 V 7.75 4.00 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 0.75 0.00 0.00 0.51 0.00 0.00 29 A 8.61 4.68 1.28 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 0.00 0.00 30 V 8.82 4.79 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 0.96 0.00 0.00 0.91 0.00 0.00 31 H 9.27 5.13 0.00 3.05 2.64 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.88 4.83 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 1.25 0.00 0.00 0.93 0.00 0.00 33 F 9.47 5.59 0.00 2.94 3.26 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 34 R 9.41 4.84 0.00 1.31 1.70 0.00 2.77 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.50 0.00 35 K 8.71 4.02 0.00 1.27 1.27 0.00 1.19 0.00 0.00 1.27 0.00 0.00 2.23 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.78 0.21 7.81 36 A 8.73 4.37 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 37 A 8.55 3.90 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 38 D 7.98 4.34 0.00 3.01 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 *39 D 8.56 4.60 0.00 2.86 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 40 T 7.16 4.32 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 41 W 8.45 5.00 0.00 2.98 2.97 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 42 E 9.13 4.60 0.00 2.27 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 2.30 2.16 0.00 43 P 0.00 4.52 0.00 2.00 2.05 0.00 3.76 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 2.15 2.36 0.00 44 F 8.89 4.84 0.00 3.04 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 7.73 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 7.93 4.69 0.00 3.63 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 47 G 8.00 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 0.00 0.00 0.00 48 K 8.54 5.32 0.00 1.55 1.63 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.36 7.81 49 T 8.57 4.30 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 1.15 0.00 0.00 50 S 8.68 4.67 0.00 4.00 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 51 E 8.68 3.96 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 7.91 4.41 0.00 4.01 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 53 G 8.43 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 54 E 7.55 5.03 0.00 2.04 1.77 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 2.20 2.38 0.00 55 L 8.74 4.79 0.00 1.63 1.53 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.86 4.87 0.00 3.02 3.18 0.00 5.83 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 8.74 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 58 L 7.87 3.98 0.00 1.55 1.67 0.85 0.72 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 59 T 7.24 4.44 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 0.92 0.00 0.00 60 T 8.19 4.75 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 1.21 0.00 0.00 61 E 8.97 4.19 0.00 2.01 1.93 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 2.23 1.92 0.00 62 E 8.46 4.23 0.00 2.00 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 0.00 2.36 2.35 0.00 63 E 8.10 4.29 0.00 2.03 1.86 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 2.26 2.11 0.00 64 F 8.20 5.24 0.00 3.11 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 65 V 7.61 4.00 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 0.86 0.00 0.00 1.03 0.00 0.00 66 E 8.10 4.50 0.00 2.02 1.81 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 2.35 2.16 0.00 67 G 7.93 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 68 I 7.16 4.84 1.68 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 1.30 0.63 1.04 0.00 0.00 69 Y 8.77 5.15 0.00 1.87 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 9.22 4.84 0.00 0.79 0.82 0.00 0.80 0.00 0.00 1.10 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 0.96 7.81 71 V 9.12 4.69 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 1.13 0.00 0.00 72 E 9.47 4.95 0.00 2.01 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 2.24 1.91 0.00 73 I 8.82 4.42 1.71 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.53 0.77 0.00 0.00 74 D 8.88 4.81 0.00 2.78 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 7.70 3.85 4.47 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 1.15 0.00 0.00 76 K 7.81 4.09 0.00 2.25 1.94 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.54 7.81 77 S 8.16 4.14 0.00 3.95 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 78 Y 7.70 3.91 0.00 2.83 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 79 W 8.30 4.35 0.00 3.49 3.27 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 80 K 8.85 4.24 0.00 1.88 1.89 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.54 7.81 81 A 7.80 4.11 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 82 L 7.10 4.38 0.00 1.84 1.70 0.29 0.71 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 83 G 8.01 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 84 I 8.07 4.50 2.26 0.00 0.00 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 1.35 1.44 0.82 0.00 0.00 85 S 8.60 4.59 0.00 3.88 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 86 P 0.00 4.39 0.00 2.18 1.93 0.00 3.77 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.18 0.00 87 F 8.29 3.94 0.00 1.69 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 88 H 7.86 4.59 0.00 3.31 3.49 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 8.66 4.00 0.00 1.68 1.70 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 2.24 2.11 0.00 90 H 7.64 5.09 0.00 3.06 3.30 0.00 5.28 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 8.58 4.11 0.15 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 92 E 8.76 5.04 0.00 1.84 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 2.17 2.28 0.00 93 V 9.03 4.43 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 0.97 0.00 0.00 0.98 0.00 0.00 94 V 8.60 5.20 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 1.11 0.00 0.00 0.90 0.00 0.00 95 F 8.78 5.12 0.00 3.18 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 96 T 8.74 4.68 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 1.28 0.00 0.00 97 A 8.89 4.67 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.87 5.14 0.00 2.75 2.87 0.00 0.00 6.66 7.93 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 99 D 8.23 5.21 0.00 3.06 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 0.00 100 S 8.09 4.63 0.00 3.86 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 0.00 101 G 7.85 3.98 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 0.00 0.00 0.00 102 P 0.00 4.83 0.00 2.24 2.12 0.00 3.73 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 2.01 2.02 0.00 103 R 8.91 4.73 0.00 1.23 1.44 0.00 3.18 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 104 R 8.57 4.85 0.00 1.78 1.83 0.00 3.19 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.46 0.00 105 Y 9.34 5.04 0.00 2.93 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 0.00 106 T 9.00 4.90 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 1.18 0.00 0.00 107 I 8.92 4.70 1.82 0.00 0.00 0.49 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 1.00 0.87 0.00 0.00 108 A 8.84 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 9.11 5.21 1.16 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 0.00 110 L 9.26 5.07 0.00 1.74 1.56 1.03 0.53 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 8.97 5.40 0.00 1.75 1.97 0.45 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 112 S 9.50 5.25 0.00 3.79 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 0.00 113 P 0.00 3.15 0.00 2.08 1.62 0.00 3.33 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.65 0.00 114 Y 7.77 4.63 0.00 2.80 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 0.00 115 S 7.97 4.79 0.00 3.90 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 5.57 0.00 3.04 2.90 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 0.00 117 S 9.15 4.80 0.00 3.81 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 0.00 118 T 8.54 5.21 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 1.33 0.00 0.00 119 T 8.94 4.85 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 1.21 0.00 0.00 120 A 8.53 5.14 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 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.73 4.26 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 0.95 0.00 0.00 0.91 0.00 0.00 122 V 8.40 4.68 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 0.48 0.00 0.00 0.89 0.00 0.00 123 T 8.56 4.65 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 1.16 0.00 0.00 124 N 8.52 4.44 0.00 2.66 2.69 0.00 0.00 6.86 7.56 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 * Residues marked with a * may have inaccurate shift predictions.