NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 E 4.3759 8.4444 116.7539 55.6456 31.4986 174.3671 12 K 4.5702 8.0886 118.4558 54.4119 35.3656 174.4456 13 L 4.1036 9.1308 125.4299 54.6969 43.0611 177.1629 14 L 4.3808 8.2682 123.0230 53.8393 40.6652 175.7022 15 T 4.6081 8.1121 116.9262 59.7556 70.3173 173.2262 16 V 4.2388 8.3382 126.9113 61.0429 33.8759 174.1790 17 D 4.6131 8.5260 127.5383 52.7254 40.8835 176.7195 18 T 2.6251 8.0626 117.8203 63.3245 68.9771 175.2905 19 T 4.2887 8.1763 111.2590 62.1739 69.3318 175.2429 20 A 4.3340 7.8178 124.4304 53.6413 19.1762 176.7360 21 H 4.9895 7.8420 111.1554 53.5085 32.8786 171.5261 22 P 4.7497 0.0000 0.0000 62.4688 32.0455 176.2114 23 F 4.4514 8.8226 118.0165 57.4844 40.0951 174.9752 24 L 4.4467 8.7061 121.8872 54.7354 42.5685 176.4359 25 K 4.8426 9.3547 123.7296 55.6460 33.4240 176.7188 26 A 4.2193 8.4764 124.8024 51.4211 16.2933 177.1786 27 L 2.0000 7.7447 123.4002 55.6549 42.7768 177.3188 28 G 3.7646 7.5079 113.9324 46.5237 0.0000 174.1630 29 G 3.8840 8.5280 105.7035 45.8259 0.0000 174.9392 30 H 4.5580 7.8646 118.4678 53.5888 27.6533 173.8453 31 E 4.0916 8.4514 124.8236 57.8015 30.1110 176.9293 32 G 4.0023 9.1944 113.5023 45.1089 0.0000 172.4663 33 T 4.5421 7.7902 116.1805 62.1519 70.2022 173.3213 34 D 5.5891 8.4811 126.7488 52.5312 44.4607 175.5965 35 I 5.2290 8.7104 113.0510 59.5674 41.7624 173.7348 36 F 4.4979 8.8220 125.6071 55.4983 41.2259 172.8808 37 P 4.4254 0.0000 0.0000 62.6076 32.4294 174.9223 38 L 4.6549 8.5290 118.1247 55.9428 43.8181 176.2214 39 F 5.4212 8.0540 116.3448 55.7572 42.9100 173.8613 *41 D 4.2665 8.2253 121.1455 53.3789 40.5178 173.6908 42 P 4.1511 0.0000 0.0000 64.0868 31.7424 177.2787 43 Y 4.4428 7.5521 114.8979 59.6102 38.4810 176.1079 44 N 4.5644 8.7035 115.1315 52.8326 39.9872 174.3902 45 G 3.6571 8.2785 106.1485 45.5885 0.0000 171.0441 46 L 5.1345 7.9815 118.0724 53.2149 46.3683 174.4417 *48 V 4.2696 7.8679 118.1619 62.7985 33.0601 174.2791 *50 R 4.5735 8.2963 123.6454 56.1110 31.8098 174.2131 51 A 5.2076 9.0499 124.4424 50.1271 22.9494 174.8422 52 S 4.9569 8.4510 114.6295 55.3587 65.7020 172.6358 53 F 5.5852 9.4053 126.1202 55.4267 41.6083 175.4041 54 A 4.7045 8.7509 125.3908 51.1286 19.1490 175.4472 55 P 4.2990 0.0000 0.0000 62.9793 32.4251 176.4938 56 G 3.8773 8.4336 108.6365 46.8174 0.0000 173.6752 57 L 4.6725 7.9676 118.8509 53.5821 44.2161 176.6217 58 T 5.0289 8.2153 117.6111 61.9526 70.7279 173.7001 59 L 4.3996 8.6053 126.6826 53.3844 42.8642 175.2402 60 P 4.4856 0.0000 0.0000 62.1318 31.6174 176.7585 61 L 4.2516 8.5241 122.2123 55.7401 42.7705 175.8334 62 H 5.2487 9.0167 120.5631 53.9140 32.7876 172.4051 63 F 4.9242 9.2282 125.7947 57.2480 40.8338 173.9151 64 H 5.3608 8.1960 123.3723 54.7059 29.6887 176.2557 65 T 3.9949 9.4850 115.0931 64.0798 70.0444 174.6972 66 G 4.4887 8.0168 107.4482 42.9547 0.0000 173.1084 67 T 4.3398 8.3787 109.2646 61.7096 70.4000 173.5095 68 V 4.6775 8.2886 122.6883 61.5605 34.6261 174.0955 69 H 5.3624 8.8866 123.7214 54.1246 32.6660 172.2532 *71 Y 5.0185 8.1534 120.5721 58.1338 40.5135 173.6817 72 T 4.6750 8.1433 123.6297 62.5363 69.6151 175.5992 73 I 3.9907 8.8850 129.0354 64.0424 37.7632 176.4207 74 S 4.4280 8.0826 114.1778 58.2932 66.4413 174.4024 75 G 3.9176 10.2104 106.1661 45.2688 0.0000 171.4393 76 C 5.0856 8.3991 120.4260 58.1418 35.1427 174.5402 77 W 5.4348 8.6310 122.3947 55.5528 32.0754 172.9260 78 Y 4.5211 8.2328 116.4387 56.0563 41.1532 173.3109 79 Y 5.0990 8.3886 118.5928 57.9356 39.2696 176.2535 80 T 4.0687 8.7389 121.2787 67.1331 68.3995 175.6052 81 E 3.9040 8.5553 119.3591 58.4316 30.6786 176.0162 82 Y 4.8511 8.0466 115.8637 56.1349 38.2142 174.5019 83 P 4.2057 0.0000 0.0000 64.8233 32.2199 178.1875 84 G 3.8428 7.9475 106.4124 46.0267 0.0000 173.7482 85 Q 4.4910 7.6030 117.1556 54.0757 29.0128 174.9867 86 K 4.0943 7.5434 117.7452 56.4921 34.0198 177.8815 87 Q 4.3424 8.4081 121.3983 54.3438 31.3171 175.1542 88 T 5.1538 8.1762 112.9767 57.9113 73.0917 172.5765 89 A 4.2085 8.5890 123.0381 54.4573 18.3223 178.1980 90 G 4.1628 8.4353 110.7189 45.3344 0.0000 173.2085 91 C 4.4317 7.7652 118.6360 58.8039 29.1054 171.9598 92 Y 5.1365 8.5479 124.7889 55.5934 40.6798 174.2222 93 L 4.5617 7.6643 127.2435 53.1826 45.1942 174.4680 94 Y 4.6795 8.4578 126.5609 55.6507 41.1788 173.9502 95 E 4.4781 8.0933 127.7488 53.3965 32.2316 173.7449 96 P 4.4406 0.0000 0.0000 62.0591 32.6996 176.0993 97 G 3.6972 7.8089 107.1296 46.2755 0.0000 174.2864 98 G 3.6965 8.6443 111.9261 45.4473 0.0000 174.2082 99 S 4.5462 6.7736 117.5556 56.9042 65.4796 177.3030 100 I 4.7630 8.0177 118.6204 60.5022 39.9234 174.0049 101 H 4.9709 8.6663 124.0931 53.7230 32.7602 172.3382 102 Q 4.6415 8.3134 118.6457 54.4423 32.1223 173.3949 103 F 4.6890 9.0160 129.5810 58.2336 40.9472 173.7098 104 N 5.3867 7.9237 122.1525 51.6119 43.0516 173.2031 105 T 4.7172 8.1720 113.1389 58.9412 70.9792 172.4488 106 P 4.4127 0.0000 0.0000 62.8126 32.0204 177.4445 107 R 3.9827 8.9249 123.4130 59.1111 30.1955 176.7794 108 D 4.8357 7.8991 114.8905 52.9038 39.6871 176.1172 109 N 4.4687 8.0046 116.5246 53.7427 39.2158 174.6608 110 E 4.2147 8.9603 122.2301 59.2034 31.0049 176.5853 111 G 4.0865 7.0268 107.4201 46.3239 0.0000 176.7914 112 Q 4.6853 9.2234 122.8321 55.7825 29.8321 174.0598 113 T 4.8559 8.8600 118.1099 62.0278 71.6321 172.7923 114 E 5.3017 9.3271 126.6965 54.7609 32.2424 175.7512 115 V 5.0621 9.1266 116.7260 59.6904 36.6504 174.2782 116 I 5.0141 9.0157 122.5322 59.3017 40.2538 174.3089 117 F 5.3930 7.9061 125.8842 54.9084 38.6438 173.4499 *119 L 4.2216 8.4274 120.3840 55.1513 42.8204 176.0886 120 S 4.9424 8.9527 122.4669 58.2375 65.1936 174.8773 121 G 4.1995 9.4219 111.0027 45.2674 0.0000 171.7415 122 C 5.0359 8.9727 116.2240 56.8305 34.3351 173.0065 123 N 5.4328 9.3417 116.9026 51.6578 40.5395 174.2190 124 V 4.5195 9.0723 124.7672 61.3768 33.6930 174.1082 125 N 5.1975 8.5397 125.8393 52.2763 40.0392 174.3230 126 F 5.4180 8.2738 122.0047 55.7659 43.2447 175.0276 127 T 4.3746 8.7036 111.6134 60.5778 70.0542 175.7329 128 Q 3.9464 8.9273 121.2731 59.7556 28.1282 178.1769 129 D 4.5561 8.1219 114.7220 52.9112 39.2493 176.5662 130 G 3.8852 8.5580 106.8135 46.7521 0.0000 174.0567 131 T 4.3743 8.0266 116.9043 62.2785 69.3182 173.8592 132 Y 4.0346 8.7332 127.1123 57.8183 39.1215 175.4396 133 L 4.2737 8.9609 126.2119 53.6218 43.9354 176.9133 134 G 3.6522 5.3800 104.7531 44.5561 0.0000 170.5812 135 L 5.0293 7.4469 120.1618 53.8260 45.4761 175.7028 136 S 4.7853 9.4598 121.0281 56.8592 66.9057 172.8825 137 D 5.1655 8.5035 122.6401 50.6605 42.9770 176.2473 138 A 4.0654 8.8316 119.3182 55.3027 18.0375 179.7929 139 G 3.5043 7.9987 103.5345 48.0078 0.0000 175.8010 140 V 3.6171 8.4966 121.6323 65.7528 31.5536 178.1967 141 I 3.7728 7.7123 119.4602 64.1244 36.7821 178.3954 142 K 3.9181 8.2913 120.7646 59.4721 32.1243 178.5985 143 N 4.3028 8.3184 116.8278 55.9948 38.4473 177.0829 144 W 3.9669 8.3238 129.6538 60.4302 30.7546 177.9613 145 V 3.3918 8.3691 118.5078 66.3195 30.7949 177.7668 146 D 4.3903 8.4074 121.0815 57.9918 40.5857 179.6827 147 R 3.8340 7.7756 120.8234 61.0178 29.3849 181.1648 148 A 3.6765 7.5316 121.3163 54.8212 18.0973 179.7030 149 I 3.5336 7.8335 121.1737 65.1285 37.1861 179.4743 150 R 3.8493 7.5325 121.2083 61.6355 29.1176 180.5471 151 E 4.0829 8.2095 118.7144 58.9897 29.5524 178.2038 152 Q 4.2214 8.4556 115.3590 54.7963 29.2470 175.0891 153 D 4.2196 7.5549 116.9215 55.3422 39.6175 173.4562 154 N 4.2979 7.8463 119.3184 54.6360 39.7947 175.4889 155 G 3.8882 8.0769 106.4304 44.8383 0.0000 172.9430 156 L 4.0080 7.8187 120.2261 54.9075 41.4380 175.7979 157 R 4.7783 8.1242 117.1271 54.8358 33.8080 173.9298 158 Y 5.0073 7.6305 115.6051 56.1925 40.9781 174.0024 159 I 4.3042 8.7011 121.2138 60.5966 38.8041 175.0335 160 A 4.5971 8.2437 126.5796 49.9432 22.1852 175.0592 161 A 4.3593 8.2630 123.6398 50.7585 20.2076 177.4577 162 A 4.4125 8.3375 126.0149 50.9191 19.6688 177.4956 163 V 2.7129 7.5540 119.4847 60.3341 31.9418 174.7841 164 P 4.2995 0.0000 0.0000 63.2804 31.7085 175.1185 165 T 4.5100 7.6924 109.1007 60.1363 71.8165 172.8924 166 Y 4.0459 8.3182 119.1726 57.6188 38.2461 176.4926 167 A 4.0448 8.6802 127.1746 52.2411 19.1667 177.1860 168 A 4.1910 8.5145 123.2138 52.5109 18.4721 177.5544 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 11 E 8.44 4.38 0.00 2.01 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 2.13 1.88 0.00 12 K 8.09 4.57 0.00 1.99 1.65 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.30 1.09 7.81 13 L 9.13 4.10 0.00 1.68 1.59 0.92 0.98 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 14 L 8.27 4.38 0.00 1.68 1.71 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.11 4.61 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 16 V 8.34 4.24 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 0.98 0.00 0.00 1.11 0.00 0.00 17 D 8.53 4.61 0.00 2.70 2.56 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 0.00 0.00 0.00 0.00 18 T 8.06 2.63 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 0.47 0.00 0.00 19 T 8.18 4.29 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 1.23 0.00 0.00 20 A 7.82 4.33 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.84 4.99 0.00 3.31 3.36 0.00 5.90 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.75 0.00 2.27 2.14 0.00 3.87 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 23 F 8.82 4.45 0.00 2.82 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 24 L 8.71 4.45 0.00 1.91 1.76 0.75 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 25 K 9.35 4.84 0.00 1.73 1.80 0.00 1.92 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.64 1.58 7.81 26 A 8.48 4.22 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 27 L 7.74 2.00 0.00 1.07 1.13 -0.39 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.51 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 29 G 8.53 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 30 H 7.86 4.56 0.00 3.28 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.45 4.09 0.00 1.92 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 2.31 2.41 0.00 32 G 9.19 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 33 T 7.79 4.54 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 0.97 0.00 0.00 34 D 8.48 5.59 0.00 2.57 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 35 I 8.71 5.23 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.67 0.79 0.00 0.00 36 F 8.82 4.50 0.00 1.51 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 0.00 0.00 0.00 37 P 0.00 4.43 0.00 1.58 1.61 0.00 3.18 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.44 0.00 38 L 8.53 4.65 0.00 1.90 1.74 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 39 F 8.05 5.42 0.00 2.95 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 *41 D 8.23 4.27 0.00 2.73 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 42 P 0.00 4.15 0.00 0.89 1.78 0.00 3.29 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 43 Y 7.55 4.44 0.00 3.17 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 44 N 8.70 4.56 0.00 3.01 2.95 0.00 0.00 7.04 7.24 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 45 G 8.28 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 0.00 0.00 0.00 46 L 7.98 5.13 0.00 1.66 1.68 0.99 1.05 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 *48 V 7.87 4.27 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 1.29 0.00 0.00 0.97 0.00 0.00 *50 R 8.30 4.57 0.00 1.76 2.10 0.00 3.21 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.65 0.00 51 A 9.05 5.21 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 52 S 8.45 4.96 0.00 3.50 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.41 5.59 0.00 3.03 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 54 A 8.75 4.70 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 55 P 0.00 4.30 0.00 1.99 2.04 0.00 3.83 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 2.06 2.34 0.00 56 G 8.43 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 57 L 7.97 4.67 0.00 1.72 1.67 1.25 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.22 5.03 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 1.22 0.00 0.00 59 L 8.61 4.40 0.00 1.58 1.62 0.78 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.49 0.00 1.84 1.96 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 61 L 8.52 4.25 0.00 1.75 1.66 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 62 H 9.02 5.25 0.00 3.07 3.13 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 63 F 9.23 4.92 0.00 3.23 3.23 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 64 H 8.20 5.36 0.00 3.20 3.37 0.00 5.31 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 65 T 9.49 3.99 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 66 G 8.02 4.49 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 0.00 67 T 8.38 4.34 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 1.27 0.00 0.00 68 V 8.29 4.68 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 0.94 0.00 0.00 0.81 0.00 0.00 69 H 8.89 5.36 0.00 3.30 3.49 0.00 5.70 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *71 Y 8.15 5.02 0.00 3.35 3.08 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 0.00 0.00 0.00 0.00 72 T 8.14 4.67 4.31 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 0.00 0.00 0.00 1.42 0.00 0.00 73 I 8.89 3.99 2.08 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.73 1.04 0.00 0.00 74 S 8.08 4.43 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 75 G 10.21 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 0.00 0.00 0.00 76 C 8.40 5.09 0.00 2.94 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 77 W 8.63 5.43 0.00 2.46 2.68 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 78 Y 8.23 4.52 0.00 2.82 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 79 Y 8.39 5.10 0.00 3.18 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 80 T 8.74 4.07 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 1.26 0.00 0.00 81 E 8.56 3.90 0.00 2.10 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 2.29 1.90 0.00 82 Y 8.05 4.85 0.00 3.08 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 83 P 0.00 4.21 0.00 1.97 2.09 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 84 G 7.95 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 85 Q 7.60 4.49 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.88 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 86 K 7.54 4.09 0.00 1.46 1.54 0.00 1.50 0.00 0.00 1.52 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.36 7.81 87 Q 8.41 4.34 0.00 0.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.52 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 88 T 8.18 5.15 4.18 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 1.15 0.00 0.00 89 A 8.59 4.21 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 90 G 8.44 4.16 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 91 C 7.77 4.43 0.00 2.96 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 92 Y 8.55 5.14 0.00 3.14 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 93 L 7.66 4.56 0.00 1.67 1.43 0.85 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.46 4.68 0.00 3.09 2.85 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 95 E 8.09 4.48 0.00 1.87 1.53 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 2.07 2.13 0.00 96 P 0.00 4.44 0.00 2.11 2.16 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.01 0.00 97 G 7.81 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 98 G 8.64 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 99 S 6.77 4.55 0.00 3.42 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 0.00 100 I 8.02 4.76 1.96 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.62 0.91 0.00 0.00 101 H 8.67 4.97 0.00 1.95 2.79 0.00 5.28 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 8.31 4.64 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.15 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 103 F 9.02 4.69 0.00 2.98 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 0.00 104 N 7.92 5.39 0.00 1.44 2.03 0.00 0.00 6.35 7.20 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 0.00 105 T 8.17 4.72 4.31 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 0.00 0.00 0.00 1.29 0.00 0.00 106 P 0.00 4.41 0.00 2.30 2.08 0.00 3.92 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 107 R 8.92 3.98 0.00 2.06 1.99 0.00 3.34 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.20 0.00 108 D 7.90 4.84 0.00 2.82 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 0.00 109 N 8.00 4.47 0.00 2.78 2.85 0.00 0.00 7.01 7.66 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 0.00 110 E 8.96 4.21 0.00 1.93 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 0.00 2.30 2.27 0.00 111 G 7.03 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 9.22 4.69 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 113 T 8.86 4.86 4.53 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 1.55 0.00 0.00 114 E 9.33 5.30 0.00 1.94 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 2.27 2.42 0.00 115 V 9.13 5.06 2.35 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 0.93 0.00 0.00 1.30 0.00 0.00 116 I 9.02 5.01 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.87 1.21 0.00 0.00 117 F 7.91 5.39 0.00 3.41 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 *119 L 8.43 4.22 0.00 2.01 1.91 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.95 4.94 0.00 4.09 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 0.00 121 G 9.42 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 0.00 0.00 0.00 0.00 122 C 8.97 5.04 0.00 3.04 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 0.00 123 N 9.34 5.43 0.00 2.56 2.63 0.00 0.00 6.95 7.54 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 0.00 124 V 9.07 4.52 2.34 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 0.78 0.00 0.00 1.06 0.00 0.00 125 N 8.54 5.20 0.00 2.44 2.64 0.00 0.00 6.33 7.70 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 0.00 126 F 8.27 5.42 0.00 3.08 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 0.00 127 T 8.70 4.37 4.31 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 0.00 0.00 0.00 1.27 0.00 0.00 128 Q 8.93 3.95 0.00 2.18 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.54 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 129 D 8.12 4.56 0.00 2.82 2.81 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 0.00 130 G 8.56 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 0.00 131 T 8.03 4.37 4.31 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 0.00 0.00 0.00 1.27 0.00 0.00 132 Y 8.73 4.03 0.00 2.82 2.85 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 0.00 133 L 8.96 4.27 0.00 1.46 1.45 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 134 G 5.38 3.65 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 0.00 0.00 0.00 135 L 7.45 5.03 0.00 1.73 1.54 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 136 S 9.46 4.79 0.00 3.61 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 0.00 137 D 8.50 5.17 0.00 2.65 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 0.00 138 A 8.83 4.07 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 0.00 139 G 8.00 3.50 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 0.00 140 V 8.50 3.62 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 1.02 0.00 0.00 0.96 0.00 0.00 141 I 7.71 3.77 1.85 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.67 0.89 0.00 0.00 142 K 8.29 3.92 0.00 1.90 1.94 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.66 1.58 7.81 143 N 8.32 4.30 0.00 2.98 2.87 0.00 0.00 6.67 7.29 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 0.00 144 W 8.32 3.97 0.00 3.41 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.37 3.39 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 0.67 0.00 0.00 1.04 0.00 0.00 146 D 8.41 4.39 0.00 2.69 2.68 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 0.00 147 R 7.78 3.83 0.00 1.86 1.93 0.00 3.27 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 148 A 7.53 3.68 0.05 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 0.00 149 I 7.83 3.53 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.54 0.83 0.00 0.00 150 R 7.53 3.85 0.00 1.76 1.93 0.00 3.27 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 1.56 1.54 0.00 151 E 8.21 4.08 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 2.35 2.16 0.00 152 Q 8.46 4.22 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.61 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 153 D 7.55 4.22 0.00 2.70 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 0.00 154 N 7.85 4.30 0.00 2.63 2.63 0.00 0.00 7.28 7.50 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 0.00 155 G 8.08 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 0.00 156 L 7.82 4.01 0.00 1.74 1.58 0.38 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 157 R 8.12 4.78 0.00 1.80 1.80 0.00 3.19 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 158 Y 7.63 5.01 0.00 2.95 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 0.00 159 I 8.70 4.30 2.20 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.33 1.09 0.00 0.00 160 A 8.24 4.60 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 0.00 161 A 8.26 4.36 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 A 8.34 4.41 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 0.00 163 V 7.55 2.71 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.45 0.00 0.00 164 P 0.00 4.30 0.00 1.94 1.96 0.00 3.40 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 165 T 7.69 4.51 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 1.14 0.00 0.00 166 Y 8.32 4.05 0.00 3.01 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 0.00 167 A 8.68 4.04 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 0.00 168 A 8.51 4.19 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 * Residues marked with a * may have inaccurate shift predictions.