NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 C 4.5229 8.3293 120.8406 58.7773 31.6805 173.0043 11 P 4.4318 0.0000 0.0000 63.4748 32.7499 174.3441 12 L 5.0677 8.4387 123.0587 53.9734 44.8945 176.1470 13 M 5.0350 9.1462 125.8880 53.4421 36.2585 174.9365 14 V 4.8569 8.2193 120.1848 60.9927 35.2070 174.1367 15 K 4.9916 9.0977 128.3600 54.5592 35.5420 174.7211 16 V 4.8226 8.9253 126.9200 61.0887 34.5165 174.1815 17 L 5.0383 8.9148 127.1923 52.8931 45.8120 174.7396 18 D 5.2911 9.0432 121.2328 52.8148 42.7492 176.4193 19 A 4.4133 9.3228 128.0818 53.2966 18.9312 178.4896 20 V 3.8701 8.8137 115.4605 64.9035 31.8458 176.9745 21 R 4.3875 8.4832 115.4250 55.0168 31.7198 175.6681 22 G 3.9953 7.9872 106.0512 45.7336 0.0000 172.3977 23 S 4.8142 7.2283 112.0457 56.0464 67.0943 173.6918 24 P 4.5946 0.0000 0.0000 63.2214 32.2564 175.8343 25 A 4.4179 8.9452 123.7972 50.7849 19.6804 176.4334 26 I 4.3384 8.3935 122.3162 61.5645 38.8729 175.6808 27 N 4.1076 8.2126 120.1711 54.3024 36.8561 174.5188 28 V 4.1238 7.6167 117.5370 61.6992 33.1110 175.0272 29 A 4.5809 8.5539 129.9201 52.0117 19.8811 176.1599 30 V 4.7761 8.8898 121.3329 61.4618 35.2236 173.8207 31 H 5.0410 9.1603 124.4821 53.8236 32.1126 172.7289 32 V 4.8329 8.9759 123.3689 61.1089 34.2540 174.3152 33 F 5.6017 9.4166 125.5832 55.7455 43.1713 173.8456 34 R 4.8128 9.3360 121.6247 54.0300 33.0074 174.6544 35 K 3.7495 8.6677 128.1395 56.3446 32.8400 176.4378 36 A 4.4698 8.8235 129.4934 49.9534 21.4627 177.6215 37 A 3.9430 8.5423 119.9538 54.1984 17.8723 178.3534 *38 D 4.7636 7.4192 115.4491 53.2325 41.9315 180.0855 39 D 4.2011 7.9240 116.4892 55.8222 37.5883 176.8422 40 T 4.5701 7.2740 109.0292 60.1051 73.0064 173.3418 41 W 4.9196 8.5132 121.6569 55.2767 30.2779 175.5495 42 E 4.6457 9.2465 127.5568 54.2271 30.7335 173.7256 43 P 4.5939 0.0000 0.0000 63.9123 31.5711 175.0662 44 F 4.8366 8.7744 123.8917 59.3716 41.6334 174.6593 45 A 4.4579 7.6883 116.7521 51.4732 22.0652 175.0065 46 S 4.7666 8.0456 112.8996 57.6805 66.3124 173.7539 47 G 4.0021 8.1384 106.4137 46.2272 0.0000 171.9840 48 K 5.3481 8.5153 118.1855 54.3160 35.9071 176.9254 49 T 4.2264 8.5749 114.4021 61.9110 70.3049 174.9588 50 S 4.9133 8.8030 118.9417 57.1341 65.2207 174.2579 51 E 3.8901 8.7969 118.9498 59.6901 29.0543 178.2708 52 S 4.3663 7.8013 111.0748 57.8787 63.5685 174.8558 53 G 3.8360 8.2930 109.6844 45.5241 0.0000 172.6921 54 E 4.9363 7.4235 118.7390 54.3503 32.2952 174.9947 55 L 4.8689 8.7366 125.0596 53.8651 44.5445 175.0723 56 H 5.0038 8.7455 122.7085 54.3904 32.0239 174.4344 57 G 3.8889 8.7601 105.4556 46.5156 0.0000 175.0234 58 L 3.9699 7.9442 121.4333 57.3771 41.7080 176.5387 59 T 4.4710 7.2760 109.6868 61.0402 70.5822 171.6650 60 T 4.7689 8.1879 113.0133 59.9361 71.7736 175.2653 61 E 4.2463 8.8815 118.1551 59.1702 29.9780 179.2908 62 E 4.2445 8.2514 117.5189 59.2289 29.7377 177.7904 63 E 4.2640 7.8989 118.7702 58.1436 30.1886 176.8242 64 F 5.1218 8.0127 122.6367 57.0405 37.6263 174.8659 65 V 4.0816 7.6157 118.0270 59.1430 33.3247 175.6247 66 E 4.6282 8.0370 120.9404 55.3920 29.8434 176.3801 67 G 3.6863 7.6394 112.0519 45.8376 0.0000 170.3190 68 I 4.6905 7.0204 119.3691 59.6974 39.2561 174.9203 69 Y 5.0849 8.6605 124.5455 55.8634 41.6094 174.4915 70 K 4.8563 9.3480 123.7911 54.6026 35.3621 174.7286 71 V 4.6896 9.0141 128.1347 61.3365 33.6216 173.6758 72 E 5.0261 9.5043 130.1557 54.5453 31.8560 174.3232 73 I 4.5169 9.0215 129.0430 59.6559 39.1241 175.9585 74 D 4.9535 8.7518 130.5915 53.3482 37.6964 177.3417 75 T 3.8893 7.6816 113.7198 64.2438 69.4044 176.7608 76 K 4.0772 8.0451 122.1581 59.7801 32.4820 178.9494 77 S 4.2200 8.1125 114.8554 61.4141 62.8074 175.6639 78 Y 3.9804 7.7042 122.0390 60.7432 38.4237 178.4254 79 W 4.3442 8.2669 119.5800 59.7335 29.3089 178.8312 80 K 4.1272 8.4289 118.2575 59.1902 31.2575 178.7558 81 A 4.2136 7.7014 119.2106 53.4598 18.5839 178.3442 82 L 4.4235 7.2298 114.5692 54.0612 42.2662 177.2196 83 G 3.9083 8.0482 109.3360 46.0039 0.0000 173.8618 84 I 4.4597 7.9106 116.4885 57.5794 38.3790 179.1673 85 S 4.5033 8.5565 119.3652 55.9632 61.5428 171.9083 86 P 4.3874 0.0000 0.0000 61.0922 33.0723 176.1961 87 F 3.8777 8.3056 121.0649 61.1035 39.3037 175.5245 88 H 4.5813 7.8072 115.6116 54.6368 29.7939 175.3809 89 E 4.0418 8.6145 122.3170 59.7299 29.5106 176.2112 90 H 4.9601 7.6982 110.6806 55.9232 31.4040 172.7323 91 A 4.0826 8.4976 120.2884 49.9284 20.9582 175.7216 92 E 5.1271 8.6308 120.4385 54.5396 33.3588 175.8420 93 V 4.4985 8.7722 122.1404 61.4424 34.9109 173.9554 94 V 5.1665 8.6028 127.8732 61.2097 33.7750 174.3919 95 F 5.0841 8.7621 120.8989 56.2096 41.4822 173.1571 96 T 4.8593 8.7185 117.1086 63.0753 69.6245 174.0565 97 A 4.6624 8.5932 126.7034 50.7875 22.5171 176.0765 98 N 4.8056 9.3762 116.7707 54.5540 36.5027 175.6143 99 D 4.4313 8.4931 122.6234 57.0078 41.8288 177.3523 *100 S 4.6949 8.1225 115.0109 57.1260 63.2591 177.7409 101 G 4.1211 8.0333 107.3212 44.5742 0.0000 171.1167 102 P 4.5579 0.0000 0.0000 63.1698 31.5146 175.7751 103 R 4.7940 8.4791 121.6164 55.2367 34.8202 174.8467 104 R 4.8671 8.7406 121.1960 55.5982 31.7748 175.1835 105 Y 5.0672 9.3374 122.3762 55.4836 41.1484 174.8044 106 T 4.9328 9.0214 121.0797 61.8933 71.4158 173.1564 107 I 4.6908 9.0337 128.1548 59.6751 39.1597 174.5251 108 A 5.2480 9.1091 129.5311 50.0013 21.7482 174.9266 109 A 5.2218 9.1215 122.9921 49.9445 23.2120 174.6867 110 L 5.0071 9.0630 123.0237 53.3368 44.8230 174.9984 111 L 5.4038 9.1670 127.0688 53.4051 44.0126 175.9452 112 S 5.2445 9.3703 118.8037 55.9835 66.9303 173.5601 113 P 3.2251 0.0000 0.0000 64.9479 31.1316 177.7602 114 Y 4.5907 7.7800 112.5246 57.2288 38.7621 174.8171 115 S 4.7327 8.1520 113.6904 57.6871 65.6744 172.5233 116 Y 5.4785 7.6237 121.5711 56.1328 40.8557 173.8331 117 S 4.9210 9.1776 115.7059 57.1090 66.8988 173.1743 118 T 5.2143 8.5204 116.0082 60.9426 70.5973 172.8660 119 T 4.8962 9.2007 122.4160 61.8420 73.5447 172.4744 120 A 5.1215 8.5653 124.5724 50.1291 21.8278 175.6085 121 V 4.2833 8.7509 122.4553 60.9439 34.1655 174.3571 122 V 4.5805 8.4026 127.5729 61.3959 33.4774 174.5519 123 T 4.6184 8.5276 124.6380 61.3445 71.8569 174.3044 124 N 4.4044 8.5293 121.2780 53.9773 39.0566 174.7880 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 4.52 0.00 2.95 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 11 P 0.00 4.43 0.00 2.71 2.53 0.00 3.71 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 1.98 2.14 0.00 12 L 8.44 5.07 0.00 0.74 1.07 0.96 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.15 5.03 0.00 1.90 1.88 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 14 V 8.22 4.86 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 1.01 0.00 0.00 0.89 0.00 0.00 15 K 9.10 4.99 0.00 1.76 1.54 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.29 7.81 16 V 8.93 4.82 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 0.66 0.00 0.00 0.80 0.00 0.00 17 L 8.91 5.04 0.00 1.59 1.52 0.93 0.93 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 9.04 5.29 0.00 2.67 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 19 A 9.32 4.41 1.44 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 20 V 8.81 3.87 2.54 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 0.90 0.00 0.00 1.02 0.00 0.00 21 R 8.48 4.39 0.00 1.93 2.01 0.00 3.48 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 22 G 7.99 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 23 S 7.23 4.81 0.00 3.89 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 2.10 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 1.99 1.98 0.00 25 A 8.95 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.39 4.34 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 1.59 0.61 0.95 0.00 0.00 27 N 8.21 4.11 0.00 2.92 2.89 0.00 0.00 6.87 6.96 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 28 V 7.62 4.12 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 0.75 0.00 0.00 0.44 0.00 0.00 29 A 8.55 4.58 1.32 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 0.00 0.00 0.00 30 V 8.89 4.78 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 1.00 0.00 0.00 0.84 0.00 0.00 31 H 9.16 5.04 0.00 3.07 2.54 0.00 5.81 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 8.98 4.83 2.32 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 1.25 0.00 0.00 0.94 0.00 0.00 33 F 9.42 5.60 0.00 3.01 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 34 R 9.34 4.81 0.00 1.42 1.66 0.00 2.84 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 35 K 8.67 3.75 0.00 0.79 1.21 0.00 0.73 0.00 0.00 1.27 0.00 0.00 2.61 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.01 0.64 7.81 36 A 8.82 4.47 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 8.54 3.94 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 7.42 4.76 0.00 2.65 2.47 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 39 D 7.92 4.20 0.00 2.86 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 40 T 7.27 4.57 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 1.16 0.00 0.00 41 W 8.51 4.92 0.00 3.01 3.05 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 42 E 9.25 4.65 0.00 2.11 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 2.39 2.39 0.00 43 P 0.00 4.59 0.00 2.05 2.05 0.00 3.83 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.38 0.00 44 F 8.77 4.84 0.00 3.11 3.19 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 45 A 7.69 4.46 1.04 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 0.00 0.00 0.00 46 S 8.05 4.77 0.00 3.62 3.54 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 0.00 0.00 0.00 0.00 47 G 8.14 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 48 K 8.52 5.35 0.00 1.55 1.63 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.35 7.81 49 T 8.57 4.23 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 1.09 0.00 0.00 50 S 8.80 4.91 0.00 3.97 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 0.00 51 E 8.80 3.89 0.00 1.97 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 0.00 2.31 2.26 0.00 52 S 7.80 4.37 0.00 3.92 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 8.29 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 0.00 0.00 0.00 54 E 7.42 4.94 0.00 1.72 1.61 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 2.17 2.19 0.00 55 L 8.74 4.87 0.00 1.60 1.40 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.75 5.00 0.00 3.00 3.15 0.00 6.04 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 8.76 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 7.94 3.97 0.00 1.55 1.66 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.28 4.47 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 0.99 0.00 0.00 60 T 8.19 4.77 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 8.88 4.25 0.00 2.01 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 0.00 2.23 1.91 0.00 62 E 8.25 4.24 0.00 2.00 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 2.36 2.34 0.00 63 E 7.90 4.26 0.00 1.96 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 2.24 2.34 0.00 64 F 8.01 5.12 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 65 V 7.62 4.08 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 0.87 0.00 0.00 1.02 0.00 0.00 66 E 8.04 4.63 0.00 1.89 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 2.40 2.21 0.00 67 G 7.64 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 0.00 0.00 0.00 68 I 7.02 4.69 1.64 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.45 0.98 0.00 0.00 69 Y 8.66 5.08 0.00 1.90 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 70 K 9.35 4.86 0.00 0.79 1.03 0.00 0.75 0.00 0.00 1.27 0.00 0.00 2.17 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.05 7.81 71 V 9.01 4.69 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 0.90 0.00 0.00 1.15 0.00 0.00 72 E 9.50 5.03 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 2.26 1.89 0.00 73 I 9.02 4.52 1.72 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 1.14 0.45 0.76 0.00 0.00 74 D 8.75 4.95 0.00 2.81 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 75 T 7.68 3.89 4.48 0.00 0.00 0.00 0.00 0.00 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 76 K 8.05 4.08 0.00 2.00 1.89 0.00 1.95 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.57 7.81 77 S 8.11 4.22 0.00 3.94 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 7.70 3.98 0.00 2.85 2.87 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 79 W 8.27 4.34 0.00 3.49 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 80 K 8.43 4.13 0.00 1.91 1.89 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.64 7.81 81 A 7.70 4.21 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 82 L 7.23 4.42 0.00 1.82 1.70 0.45 0.73 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 83 G 8.05 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 7.91 4.46 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.88 0.91 0.00 0.00 85 S 8.56 4.50 0.00 3.84 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 86 P 0.00 4.39 0.00 2.24 1.92 0.00 3.83 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.19 0.00 87 F 8.31 3.88 0.00 1.86 2.72 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 88 H 7.81 4.58 0.00 3.31 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 8.61 4.04 0.00 1.75 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 2.19 2.15 0.00 90 H 7.70 4.96 0.00 3.23 3.23 0.00 5.10 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 8.50 4.08 0.27 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 92 E 8.63 5.13 0.00 1.89 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 2.10 2.26 0.00 93 V 8.77 4.50 2.26 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 1.13 0.00 0.00 1.00 0.00 0.00 94 V 8.60 5.17 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 1.18 0.00 0.00 0.90 0.00 0.00 95 F 8.76 5.08 0.00 3.15 3.11 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 96 T 8.72 4.86 4.33 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 1.28 0.00 0.00 97 A 8.59 4.66 0.67 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 0.00 0.00 98 N 9.38 4.81 0.00 2.73 2.90 0.00 0.00 6.91 7.60 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 99 D 8.49 4.43 0.00 2.66 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 *100 S 8.12 4.69 0.00 3.63 3.66 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 0.00 101 G 8.03 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 0.00 0.00 0.00 102 P 0.00 4.56 0.00 2.23 2.12 0.00 3.72 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 2.00 2.02 0.00 103 R 8.48 4.79 0.00 1.18 1.48 0.00 3.22 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.47 0.00 104 R 8.74 4.87 0.00 1.45 1.79 0.00 3.21 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 105 Y 9.34 5.07 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 0.00 106 T 9.02 4.93 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 1.19 0.00 0.00 107 I 9.03 4.69 1.85 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.01 0.90 0.00 0.00 108 A 9.11 5.25 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 0.00 109 A 9.12 5.22 1.18 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 0.00 0.00 0.00 110 L 9.06 5.01 0.00 1.78 1.58 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 111 L 9.17 5.40 0.00 1.84 2.05 0.45 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 112 S 9.37 5.24 0.00 3.93 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 0.00 113 P 0.00 3.23 0.00 2.04 1.49 0.00 3.32 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.44 0.00 114 Y 7.78 4.59 0.00 2.77 2.79 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 0.00 0.00 0.00 115 S 8.15 4.73 0.00 3.81 3.71 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 0.00 116 Y 7.62 5.48 0.00 3.12 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 0.00 117 S 9.18 4.92 0.00 3.83 3.78 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 0.00 118 T 8.52 5.21 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 9.20 4.90 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 0.00 120 A 8.57 5.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.75 4.28 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 0.97 0.00 0.00 0.91 0.00 0.00 122 V 8.40 4.58 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 0.37 0.00 0.00 0.91 0.00 0.00 123 T 8.53 4.62 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 1.17 0.00 0.00 124 N 8.53 4.40 0.00 2.63 2.67 0.00 0.00 6.88 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.