NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6763 8.3649 120.2924 53.2343 40.6715 174.3796 6 F 4.6965 8.4899 121.4809 54.8129 42.8551 170.7980 7 E 3.9153 9.5072 122.4385 59.6229 30.3711 173.7639 8 E 3.9098 8.3486 123.3294 55.6147 30.5429 173.2856 9 K 4.5755 9.2408 125.4703 55.1870 35.6647 173.6777 10 M 4.8784 8.4808 125.1616 54.5508 33.0528 175.5097 11 I 4.1738 8.4944 126.8934 63.0004 38.4453 176.0883 12 L 4.9419 7.7652 121.9936 53.3384 45.7497 175.3788 13 I 5.8746 8.4565 123.9703 59.2230 41.2694 174.5006 14 R 4.6597 8.5812 119.8327 55.3517 32.5534 173.1968 15 R 4.5861 8.4890 121.5344 54.5659 31.3433 175.4124 16 T 4.6711 8.4269 121.2364 61.6596 70.7747 174.3267 17 A 4.9091 7.8221 127.6913 51.8235 22.8585 176.4170 18 R 4.5839 7.8019 116.1084 54.4741 32.7420 175.0014 19 M 4.4219 8.7892 122.0379 55.1284 33.3055 175.6502 20 Q 4.5502 8.8212 120.7840 56.7750 33.1417 172.7287 21 A 3.7418 7.9842 126.6313 51.3512 19.1545 176.5179 22 G 4.1164 8.7389 111.7631 43.6740 0.0000 174.1949 23 G 3.8172 6.5765 105.5700 45.7710 0.0000 170.4225 24 R 4.7223 8.0445 118.4876 54.3116 31.4873 175.4588 25 R 4.1274 8.1411 124.7170 55.2203 31.8015 175.6945 26 F 4.9943 8.4710 124.0997 56.4845 41.9380 174.1223 27 R 4.8660 8.0400 117.7311 55.7946 33.6635 173.2204 28 F 5.2418 9.0501 120.7125 55.6122 42.8780 174.4472 29 G 4.5019 9.8650 111.5438 45.0609 0.0000 172.6194 30 A 5.2777 8.6298 125.1071 50.1300 22.2293 174.5434 31 L 5.1529 9.5583 125.9608 54.3698 43.9340 175.5545 32 V 4.9537 9.0001 126.2291 61.1573 35.1702 174.2375 33 V 4.8412 9.4613 127.7564 61.3946 34.4358 174.6640 34 V 4.5931 8.4739 125.4838 61.4266 34.8607 174.2354 35 G 5.2020 8.9318 113.3575 44.8323 0.0000 172.2649 36 D 5.1083 8.9739 117.4460 52.3975 41.0768 176.6155 37 R 4.0961 8.3844 117.2601 57.7512 26.5664 176.3263 38 Q 4.5039 9.5048 113.1749 55.5622 30.6082 175.9772 39 G 3.9701 9.1492 105.7889 45.3740 0.0000 174.6320 40 R 4.7274 7.9655 118.4491 53.6053 33.7453 174.6282 41 V 5.4290 7.6652 116.4236 58.8040 36.5016 174.8826 42 G 4.9805 8.3182 109.1879 43.6224 0.0000 170.7973 43 L 5.3384 8.5725 123.7110 53.1493 44.7982 175.7833 44 G 4.4669 8.9824 111.1925 44.8918 0.0000 171.1546 45 F 5.7863 9.0828 125.8631 56.2411 42.0063 174.4993 46 G 4.2114 8.9565 112.3697 44.4573 0.0000 171.4561 47 K 5.9075 8.9969 120.9533 52.9573 35.8425 175.2142 48 A 4.6319 8.4544 125.4429 51.4162 20.8553 175.8842 49 P 4.3594 0.0000 0.0000 65.0859 31.1780 176.9627 50 E 4.4078 7.7975 116.7501 54.0830 33.6136 175.1180 51 V 3.1352 7.6586 121.7236 65.9214 30.8622 176.2094 52 P 4.1706 0.0000 0.0000 65.9047 31.6674 178.2459 53 L 3.8712 7.3167 115.1581 58.1381 41.7715 178.7717 54 A 4.1582 8.1696 120.6871 54.3707 18.6688 179.7401 55 V 3.5206 7.5371 116.3768 66.1253 31.7516 177.6583 56 Q 3.9514 9.1124 120.1145 59.2708 28.7633 178.2168 57 K 3.8137 8.1206 120.1782 59.6411 32.1551 178.4122 58 A 4.3734 8.6791 121.3745 55.2252 18.1398 179.8432 59 G 3.6215 8.3891 104.4839 47.9142 0.0000 175.0694 60 Y 4.0216 7.6670 121.0184 60.9997 39.0335 177.8749 61 Y 4.2394 7.8486 117.1184 60.8780 37.7670 177.8281 62 A 4.0855 8.3448 121.4249 55.5275 18.7649 179.3601 63 R 3.9779 7.7162 115.8558 58.4226 30.2468 178.8534 64 R 3.8847 7.7635 117.8317 57.6559 30.5061 175.7030 65 N 5.0433 7.2041 115.8029 52.5044 42.6055 173.4863 66 M 5.1183 8.4578 122.2679 56.8283 36.0844 173.4759 67 V 4.5415 7.7973 116.9516 61.3094 34.2357 174.5721 68 E 3.9265 9.2551 118.9690 58.4577 30.1058 178.1384 69 V 3.1326 7.3783 115.5320 63.5347 28.9402 172.1699 70 P 4.4784 0.0000 0.0000 62.7936 29.6317 176.5582 71 L 4.4614 7.8720 122.2440 54.3949 43.0466 177.2520 72 Q 4.1946 9.0784 116.9838 56.4347 31.8786 174.1262 73 N 3.9736 9.9240 121.1918 54.4480 37.5683 174.7637 74 G 3.9434 8.8052 102.2082 46.2023 0.0000 172.9595 75 T 4.8716 7.6705 113.4181 59.8940 70.9089 172.7118 76 I 4.3741 8.0298 123.7894 59.8719 38.0263 174.8062 77 P 4.4089 0.0000 0.0000 65.6258 31.2308 175.4585 78 H 4.9428 7.6062 111.1741 53.5550 31.5291 171.3088 79 E 5.4579 8.8219 117.7930 54.9373 31.1957 175.8004 80 I 4.6744 7.8717 114.5255 59.8552 41.2305 172.9863 81 E 5.1774 8.7177 122.3583 54.6900 32.5330 175.6298 82 V 4.4255 8.9125 123.1085 61.3004 35.3660 174.1753 83 E 4.7371 9.0172 127.1214 54.6647 29.8315 175.0413 84 F 4.5578 9.0240 127.4102 57.2383 39.3241 175.9251 85 G 3.7598 8.1350 119.4357 45.8287 0.0000 172.4574 86 A 4.3265 8.3936 126.5986 52.4945 19.0433 176.2948 87 S 5.2035 7.7610 114.9725 57.3616 64.5391 173.5140 88 K 5.2068 8.5375 125.3709 55.0288 35.5584 174.3217 89 I 4.7313 8.3116 122.4182 60.1146 41.8767 173.6251 90 V 4.9900 8.5457 119.2766 59.5628 36.0831 174.9154 91 L 4.9633 9.4026 122.7968 53.1200 45.1957 175.8764 92 K 4.8161 9.3348 124.6627 53.3895 35.2622 174.3106 93 P 4.6016 0.0000 0.0000 63.0471 31.5527 175.7229 94 A 4.8558 8.1258 125.4313 49.3873 21.7224 175.7755 95 A 4.0357 8.6295 122.2524 51.5017 18.8708 175.9546 96 P 4.5804 0.0000 0.0000 62.7580 31.7853 176.2321 97 G 4.1340 8.5614 105.8391 46.9715 0.0000 175.1573 98 T 3.9794 8.2931 117.3886 65.1238 69.0073 176.2706 99 G 4.1663 8.3579 106.0659 43.7399 0.0000 171.8367 100 V 4.3742 7.9849 119.2873 61.4689 32.5618 175.2320 101 I 4.3918 8.2933 122.5544 60.0082 38.9256 174.2494 102 A 4.6234 8.1842 128.3586 51.7169 22.1565 174.8672 103 G 4.0358 8.4914 105.2337 44.5886 0.0000 176.2391 104 A 3.6872 7.6938 123.3319 54.1927 19.2774 179.5207 105 V 3.8360 7.3046 115.6296 64.6080 31.8402 175.9257 106 P 4.2790 0.0000 0.0000 65.5195 30.9545 178.4757 107 R 3.8016 8.0150 118.8090 59.5271 30.0587 177.9571 108 A 4.0025 7.6362 119.7322 55.3093 18.0021 179.8308 109 I 3.7371 7.3007 117.3357 64.7298 37.6257 178.4848 110 L 4.1732 7.8195 119.0393 57.4544 41.2670 179.0961 111 E 3.9885 8.5716 119.6632 59.2841 29.4762 178.6631 112 L 4.2408 7.7564 115.4069 56.1292 42.4190 179.3305 113 A 3.9605 7.9475 123.6718 56.1927 18.7123 178.7245 114 G 3.8308 7.6117 103.4300 46.0965 0.0000 173.5151 115 V 4.6738 7.5129 118.8551 61.2188 34.1376 174.7897 116 T 4.6750 8.9916 109.1435 61.9000 73.2736 172.4964 117 D 5.0816 7.8704 121.9670 52.0970 42.5398 173.8419 118 I 4.5708 8.4897 121.9673 59.4266 42.4875 172.6877 119 L 5.1957 9.3479 128.8067 53.2646 44.0445 175.6444 120 T 5.3266 8.2642 112.4600 59.7978 72.3394 173.0859 121 K 4.5962 8.4991 123.1276 54.8970 36.6182 174.8148 122 E 4.4225 8.8128 125.9238 55.2204 30.9099 175.2511 123 L 4.5201 8.3091 124.9434 52.8074 44.5632 178.5880 124 G 3.7936 8.6122 108.7247 47.0932 0.0000 175.3918 125 S 4.3877 8.9437 120.6963 57.5351 62.6297 173.9301 126 R 4.4156 8.4855 124.9906 55.5344 30.1911 176.3382 127 N 4.1052 7.7415 117.2239 54.6082 39.7502 172.3057 128 P 3.9572 0.0000 0.0000 65.9899 31.4352 178.3091 129 I 3.1390 7.2732 117.5021 64.7106 37.4637 177.9253 130 N 4.6851 8.2798 116.7327 56.3991 38.4127 177.3403 131 I 3.7037 7.7728 118.5682 64.3306 38.0530 177.3158 132 A 4.0241 8.0545 121.8179 55.0098 18.3933 178.8991 133 Y 4.1433 7.7064 114.2285 61.1826 37.9191 179.3873 134 A 3.9895 8.0846 121.6456 55.2952 18.6281 179.6291 135 T 3.8522 8.0660 114.5027 67.4184 68.3441 176.1883 136 M 4.0751 7.9534 120.3123 57.9965 31.9417 177.9465 137 E 3.9676 8.0301 118.8538 58.8031 30.1953 178.9516 138 A 4.1981 7.7356 121.5510 54.3723 18.6297 179.3586 139 L 3.8849 7.9531 115.3722 57.7983 41.8586 179.8166 140 R 3.8340 7.9330 116.1753 58.1652 30.0961 176.4191 141 Q 4.5841 7.6983 114.7175 56.0624 29.9789 175.6837 142 L 4.3754 8.6120 119.6907 54.8926 42.2762 176.2987 143 R 4.7751 8.3142 118.0675 55.0710 34.4333 174.6692 144 T 4.6949 8.9258 109.7383 59.1427 71.4800 175.0699 145 K 3.8188 8.8006 123.4844 59.9513 31.9031 177.8282 146 A 4.1593 8.3570 121.0885 53.6579 17.8118 177.9104 147 D 4.4279 6.6811 123.3242 54.9067 40.3559 179.4076 148 V 3.7009 7.7323 120.2675 66.2014 31.7495 177.3489 149 E 4.2534 8.1197 116.6032 57.6425 29.3023 178.1691 150 R 4.2663 7.8287 118.0915 57.4378 30.4517 176.8312 151 L 4.5474 7.5118 116.0660 54.8941 42.8472 176.7151 152 R 4.8112 7.1657 117.0518 55.7059 31.7875 177.6944 153 K 4.6613 7.4423 129.9175 55.0670 31.5213 178.4143 154 G 3.2084 9.1265 115.0408 47.0763 0.0000 173.7891 *155 E 4.1319 7.7789 118.3325 56.1474 30.4399 177.6388 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 5 D 8.36 4.68 0.00 2.78 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 6 F 8.49 4.70 0.00 3.00 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 7 E 9.51 3.92 0.00 1.98 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 0.00 2.36 2.33 0.00 8 E 8.35 3.91 0.00 2.19 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 2.23 2.31 0.00 9 K 9.24 4.58 0.00 1.75 1.58 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.39 7.81 10 M 8.48 4.88 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.62 0.00 11 I 8.49 4.17 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.68 0.93 0.00 0.00 12 L 7.77 4.94 0.00 1.60 1.41 0.94 0.97 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 13 I 8.46 5.87 1.94 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 1.10 1.22 1.04 0.00 0.00 14 R 8.58 4.66 0.00 1.86 2.02 0.00 2.96 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 15 R 8.49 4.59 0.00 1.18 1.54 0.00 2.21 0.00 0.00 2.62 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.50 0.00 16 T 8.43 4.67 4.26 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 1.25 0.00 0.00 17 A 7.82 4.91 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 18 R 7.80 4.58 0.00 1.80 1.94 0.00 2.73 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 19 M 8.79 4.42 0.00 1.88 2.00 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 2.57 2.43 0.00 20 Q 8.82 4.55 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.56 0.00 0.00 0.00 0.00 0.00 2.08 2.20 0.00 21 A 7.98 3.74 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 22 G 8.74 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 23 G 6.58 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 0.00 0.00 0.00 24 R 8.04 4.72 0.00 1.37 1.74 0.00 3.11 0.00 0.00 3.13 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.16 0.00 25 R 8.14 4.13 0.00 1.80 1.71 0.00 3.04 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 26 F 8.47 4.99 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 27 R 8.04 4.87 0.00 1.90 1.73 0.00 3.14 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 28 F 9.05 5.24 0.00 3.08 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 29 G 9.87 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.63 5.28 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.56 5.15 0.00 1.64 1.65 0.89 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 32 V 9.00 4.95 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 0.98 0.00 0.00 1.01 0.00 0.00 33 V 9.46 4.84 2.17 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 0.90 0.00 0.00 0.92 0.00 0.00 34 V 8.47 4.59 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 0.48 0.00 0.00 0.92 0.00 0.00 35 G 8.93 5.20 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 0.00 36 D 8.97 5.11 0.00 2.84 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.38 4.10 0.00 2.04 2.18 0.00 3.17 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 38 Q 9.50 4.50 0.00 2.30 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.07 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 39 G 9.15 3.97 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 0.00 0.00 0.00 40 R 7.97 4.73 0.00 2.15 1.87 0.00 3.43 0.00 0.00 3.65 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 41 V 7.67 5.43 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 0.95 0.00 0.00 0.90 0.00 0.00 42 G 8.32 4.98 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 43 L 8.57 5.34 0.00 1.64 1.60 1.00 0.93 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 44 G 8.98 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 0.00 0.00 0.00 0.00 45 F 9.08 5.79 0.00 2.93 3.04 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 46 G 8.96 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 0.00 0.00 0.00 0.00 47 K 9.00 5.91 0.00 1.52 1.73 0.00 1.46 0.00 0.00 2.22 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 0.71 7.81 48 A 8.45 4.63 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 49 P 0.00 4.36 0.00 2.10 2.26 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 50 E 7.80 4.41 0.00 1.96 1.65 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 2.15 2.21 0.00 51 V 7.66 3.14 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 1.02 0.00 0.00 0.27 0.00 0.00 52 P 0.00 4.17 0.00 2.13 2.07 0.00 3.53 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 53 L 7.32 3.87 0.00 1.69 1.77 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.17 4.16 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 55 V 7.54 3.52 2.17 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 1.13 0.00 0.00 0.98 0.00 0.00 56 Q 9.11 3.95 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.54 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 57 K 8.12 3.81 0.00 2.04 2.04 0.00 1.72 0.00 0.00 1.91 0.00 0.00 3.24 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.75 1.45 7.81 58 A 8.68 4.37 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.39 3.62 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 0.00 0.00 0.00 60 Y 7.67 4.02 0.00 2.82 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 61 Y 7.85 4.24 0.00 3.10 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 62 A 8.34 4.09 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 63 R 7.72 3.98 0.00 1.76 1.91 0.00 3.08 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 64 R 7.76 3.88 0.00 1.72 2.19 0.00 3.29 0.00 0.00 3.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.75 0.00 65 N 7.20 5.04 0.00 2.95 2.71 0.00 0.00 6.84 7.53 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 66 M 8.46 5.12 0.00 1.80 1.86 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.19 0.00 67 V 7.80 4.54 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 0.73 0.00 0.00 0.92 0.00 0.00 68 E 9.26 3.93 0.00 2.10 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 2.27 2.30 0.00 69 V 7.38 3.13 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 0.79 0.00 0.00 0.98 0.00 0.00 70 P 0.00 4.48 0.00 2.09 2.03 0.00 3.72 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 2.06 2.20 0.00 71 L 7.87 4.46 0.00 1.64 1.60 1.03 0.97 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 72 Q 9.08 4.19 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.21 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 73 N 9.92 3.97 0.00 2.85 2.87 0.00 0.00 7.40 7.98 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 74 G 8.81 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 75 T 7.67 4.87 4.29 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 1.31 0.00 0.00 76 I 8.03 4.37 1.85 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 1.45 0.64 0.96 0.00 0.00 77 P 0.00 4.41 0.00 2.36 2.22 0.00 3.69 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 2.02 2.03 0.00 78 H 7.61 4.94 0.00 3.23 3.29 0.00 5.51 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.82 5.46 0.00 1.86 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 2.25 2.20 0.00 80 I 7.87 4.67 1.88 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 1.30 0.68 0.86 0.00 0.00 81 E 8.72 5.18 0.00 1.84 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 2.20 2.27 0.00 82 V 8.91 4.43 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 1.04 0.00 0.00 1.00 0.00 0.00 83 E 9.02 4.74 0.00 1.98 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 0.00 2.22 2.27 0.00 84 F 9.02 4.56 0.00 3.12 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 85 G 8.14 3.76 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 0.00 0.00 0.00 86 A 8.39 4.33 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 87 S 7.76 5.20 0.00 4.02 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 88 K 8.54 5.21 0.00 1.86 1.76 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.44 7.81 89 I 8.31 4.73 1.89 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 1.23 1.37 0.93 0.00 0.00 90 V 8.55 4.99 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 0.95 0.00 0.00 1.00 0.00 0.00 91 L 9.40 4.96 0.00 1.44 1.51 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.33 4.82 0.00 1.60 1.68 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.34 7.81 93 P 0.00 4.60 0.00 2.07 2.22 0.00 3.72 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 1.99 1.91 0.00 94 A 8.13 4.86 1.22 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 0.00 0.00 0.00 95 A 8.63 4.04 1.26 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 0.00 0.00 96 P 0.00 4.58 0.00 2.05 2.00 0.00 3.88 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 2.03 2.15 0.00 97 G 8.56 4.13 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 0.00 98 T 8.29 3.98 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 1.21 0.00 0.00 99 G 8.36 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 0.00 0.00 0.00 0.00 100 V 7.98 4.37 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 0.84 0.00 0.00 0.95 0.00 0.00 101 I 8.29 4.39 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 1.23 1.17 0.91 0.00 0.00 102 A 8.18 4.62 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 0.00 103 G 8.49 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 0.00 0.00 0.00 0.00 104 A 7.69 3.69 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 0.00 105 V 7.30 3.84 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 1.02 0.00 0.00 0.89 0.00 0.00 106 P 0.00 4.28 0.00 2.29 2.30 0.00 3.86 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 2.26 2.03 0.00 107 R 8.02 3.80 0.00 1.91 2.12 0.00 3.11 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 108 A 7.64 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.30 3.74 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.55 0.89 0.00 0.00 110 L 7.82 4.17 0.00 1.72 1.71 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.57 3.99 0.00 1.99 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 0.00 2.33 2.61 0.00 112 L 7.76 4.24 0.00 1.76 1.73 0.94 0.99 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 0.00 113 A 7.95 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 7.61 3.83 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 0.00 0.00 0.00 115 V 7.51 4.67 2.17 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 0.89 0.00 0.00 0.96 0.00 0.00 116 T 8.99 4.67 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 0.00 117 D 7.87 5.08 0.00 2.57 2.93 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 0.00 118 I 8.49 4.57 1.86 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 1.22 1.09 0.91 0.00 0.00 119 L 9.35 5.20 0.00 1.82 1.53 0.92 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.26 5.33 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 1.24 0.00 0.00 121 K 8.50 4.60 0.00 1.84 1.61 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.51 7.81 122 E 8.81 4.42 0.00 1.95 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 0.00 2.31 2.31 0.00 123 L 8.31 4.52 0.00 1.60 1.58 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.61 3.79 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 0.00 0.00 0.00 125 S 8.94 4.39 0.00 3.85 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 0.00 126 R 8.49 4.42 0.00 1.83 1.93 0.00 3.34 0.00 0.00 3.80 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.56 0.00 127 N 7.74 4.11 0.00 2.73 2.72 0.00 0.00 7.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 3.96 0.00 2.07 1.91 0.00 3.62 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 129 I 7.27 3.14 1.79 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.78 0.41 0.00 0.00 130 N 8.28 4.69 0.00 2.87 3.20 0.00 0.00 6.73 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.77 3.70 2.03 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 1.47 1.31 0.94 0.00 0.00 132 A 8.05 4.02 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 0.00 133 Y 7.71 4.14 0.00 2.39 1.58 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 0.00 134 A 8.08 3.99 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 8.07 3.85 4.30 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 1.19 0.00 0.00 136 M 7.95 4.08 0.00 1.97 2.19 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.73 0.00 137 E 8.03 3.97 0.00 2.03 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 2.26 2.50 0.00 138 A 7.74 4.20 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.95 3.88 0.00 1.69 1.72 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.93 3.83 0.00 1.81 2.01 0.00 3.49 0.00 0.00 3.19 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 141 Q 7.70 4.58 0.00 2.35 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 142 L 8.61 4.38 0.00 1.62 1.61 0.89 0.59 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 0.00 143 R 8.31 4.78 0.00 1.71 1.76 0.00 3.31 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.55 0.00 144 T 8.93 4.69 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 1.22 0.00 0.00 145 K 8.80 3.82 0.00 1.84 1.88 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.28 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.76 1.54 7.81 146 A 8.36 4.16 1.26 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 0.00 0.00 147 D 6.68 4.43 0.00 2.91 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 0.00 148 V 7.73 3.70 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 1.00 0.00 0.00 0.92 0.00 0.00 149 E 8.12 4.25 0.00 2.07 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 2.32 2.45 0.00 150 R 7.83 4.27 0.00 1.95 2.03 0.00 3.24 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 151 L 7.51 4.55 0.00 1.83 1.68 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.17 4.81 0.00 1.82 1.90 0.00 3.15 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 153 K 7.44 4.66 0.00 1.74 0.89 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.40 7.81 154 G 9.13 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 0.00 0.00 0.00 *155 E 7.78 4.13 0.00 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.