NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.6273 8.0544 120.2747 61.2698 32.5030 174.2002 2 V 3.8838 7.8790 124.2372 60.1898 32.2872 173.2818 3 W 4.9052 8.3510 128.2506 56.1664 31.2121 176.8334 4 T 4.4228 9.0180 113.5966 61.1207 70.6223 175.8051 5 D 4.3870 8.6680 121.6880 57.6079 40.8323 178.6084 6 F 4.0806 8.4412 120.5487 61.5124 39.2270 176.8542 7 E 3.9373 8.3244 117.5550 59.5614 29.5061 179.5005 8 R 3.5969 8.0080 117.6934 59.1761 30.0656 179.0255 9 A 3.8998 8.0347 120.5264 55.4385 18.3014 179.8799 10 T 3.5829 7.7657 114.5396 66.5582 68.4385 177.1452 11 I 3.6726 7.6960 121.4570 64.3523 37.1680 178.2099 12 A 3.9367 7.5885 121.2153 55.1696 17.9141 179.0294 13 D 4.2423 8.1049 115.6670 57.5832 41.5926 178.2251 14 I 3.7517 8.0121 120.4564 64.6939 37.2967 178.6103 15 F 4.1511 8.3549 118.4675 60.2301 38.5213 177.7151 16 S 4.3124 8.2419 112.8467 60.2332 62.9452 175.5153 17 K 4.3682 7.7182 120.3815 55.2425 32.6215 175.8267 18 L 4.4373 7.0448 120.1590 53.0299 42.9660 176.2189 19 D 4.4484 8.5444 123.1624 53.9974 41.8648 176.3469 20 Y 4.3762 8.4969 125.9983 61.0340 37.9586 178.1458 21 E 4.2897 8.5958 120.9563 58.7361 29.8683 178.4180 22 A 3.9710 8.3424 120.6792 55.2640 18.4448 179.8031 23 V 3.5884 8.1493 116.8773 66.0126 31.5767 178.3946 24 G 4.1382 7.9295 107.2857 47.2143 0.0000 175.8075 25 G 3.5965 8.2422 108.2580 47.4691 0.0000 175.5893 26 A 4.0016 8.1808 123.9477 54.9942 17.9201 179.9490 27 T 3.8028 8.2503 114.5654 66.6544 68.5979 176.8395 28 L 3.9276 8.1899 122.2799 58.0238 42.1325 178.6279 29 A 3.9182 8.0391 120.7951 55.1643 18.2066 179.4641 30 R 3.7279 8.0599 117.0622 59.7443 30.0953 178.1240 31 C 4.1395 8.1696 118.3858 62.7505 31.6034 175.6345 32 L 3.9441 7.9885 119.9684 57.0940 40.8908 179.3358 33 I 3.8061 7.3680 119.2939 63.7975 37.4910 177.9701 34 V 3.5455 7.7251 118.3169 64.1998 32.8841 175.7336 35 Y 3.7674 7.3211 115.9914 54.6362 37.7925 174.3348 36 P 5.0461 0.0000 0.0000 63.9394 31.9220 177.8507 37 W 4.3621 7.7682 115.4343 59.4375 27.9700 178.0378 38 T 4.2059 7.4212 116.7534 66.4506 67.7074 176.1247 39 Q 4.1771 8.0893 120.3280 58.8499 28.4162 178.5616 40 R 3.8141 7.8571 119.1237 59.4649 30.0918 177.7143 41 Y 4.1615 7.3851 114.9980 59.1757 38.0379 176.1408 42 F 4.5971 7.9982 119.7702 56.6921 39.5917 177.5400 43 G 3.9074 8.3615 110.5772 47.7479 0.0000 174.4670 44 N 5.1310 8.2332 116.9535 53.5378 39.1920 175.0560 45 F 4.7195 8.5517 114.3375 56.8956 41.0227 177.1271 46 G 3.8524 8.2242 106.7290 44.3182 0.0000 173.5645 47 N 4.3155 8.7314 122.8246 54.1288 38.8941 174.6107 48 L 4.6903 8.1293 125.0961 52.5374 45.2055 176.2626 *50 N 4.4379 8.4181 117.9536 53.3321 40.5111 175.2464 51 A 3.9378 8.4656 129.1821 55.2572 18.6840 179.4117 52 A 3.9367 8.0950 118.6307 55.1701 18.2501 179.5073 53 A 3.9429 8.1113 118.4209 55.3895 18.6315 179.6563 54 I 3.8048 7.7079 118.1612 64.8640 36.9793 178.6115 55 M 4.1527 8.3879 118.8789 57.5579 31.8434 178.0194 56 G 4.0809 7.6267 103.0496 43.5306 0.0000 173.6267 57 N 4.5342 7.5496 121.5791 52.6129 39.9388 173.6674 58 P 4.3251 0.0000 0.0000 66.2127 31.5301 178.4269 59 M 4.0709 8.3155 118.6176 58.1332 31.6895 178.7631 60 I 3.8558 8.0117 119.5449 64.0405 37.5537 177.8920 61 A 3.9951 7.9175 121.4433 55.1512 18.2354 179.6023 62 K 3.9260 7.9881 117.7908 60.0605 32.3031 178.5507 63 H 4.4802 8.7177 118.6966 58.9249 29.9150 177.3199 64 G 3.6752 8.5209 108.2348 48.0761 0.0000 175.7616 65 T 3.9406 7.8631 117.6030 66.7954 68.4844 176.5927 66 T 3.9693 8.0259 117.5851 66.9939 68.3981 176.5282 67 I 3.6832 7.7214 121.3180 64.4422 37.1233 178.5376 68 L 3.8935 7.8127 119.2856 58.0814 41.3146 179.1796 69 H 4.3434 8.5914 116.5774 58.4977 28.3015 178.1418 70 G 3.5694 8.2337 107.9104 47.8101 0.0000 175.7594 71 L 4.1647 8.2248 123.4491 56.9479 41.5476 178.8655 72 D 4.1204 8.1138 118.0160 57.5724 40.8176 178.6286 73 R 3.9303 7.6592 117.2534 59.4014 30.4849 178.5864 74 A 4.0578 7.7714 120.1289 55.0400 18.1299 179.8186 75 V 3.2455 7.5545 115.9559 65.6074 31.5790 177.5131 76 K 4.3390 7.9580 115.4802 56.4971 33.0611 177.0501 77 N 5.0468 7.9116 118.0061 52.2319 39.7495 176.2385 78 M 4.1940 8.0275 118.1279 57.8766 32.4958 177.5373 79 D 5.0062 8.0375 116.3590 54.4205 41.7365 175.8461 80 N 5.1040 8.2952 119.2156 52.1484 39.7040 176.7005 81 I 3.5522 8.0699 119.8850 63.7829 37.1441 177.3348 82 K 3.7935 7.9336 118.7267 59.5576 32.4738 178.0456 83 A 4.1550 7.9573 120.2950 55.6387 18.1387 179.4574 84 T 3.9431 7.7122 112.9231 66.6127 68.6848 175.4290 85 Y 4.5094 8.1994 116.2159 57.7025 38.1251 176.9813 86 A 4.0357 7.7589 124.3074 55.7237 18.3514 180.1643 87 E 3.9908 8.0998 116.1565 59.2354 29.7223 179.2255 88 L 3.9316 7.7691 118.6961 57.6955 41.5332 179.2758 89 S 4.6446 8.4041 114.7755 60.8645 62.3753 176.2721 90 V 3.5147 7.5265 120.3842 65.9160 31.1609 177.5643 91 L 3.9008 8.1505 120.2473 58.6275 41.9822 178.3404 92 H 4.4062 8.4440 114.3083 57.7475 28.7995 175.9769 93 S 4.5415 7.8132 115.9629 60.1880 63.9328 176.0408 94 E 3.8398 8.4272 123.2362 59.0630 29.9160 178.7614 95 K 4.1224 7.9673 118.4363 58.5985 32.6255 177.3676 96 L 4.2999 8.0005 115.8660 54.6535 42.2822 176.2047 97 H 4.0684 7.7050 115.2468 56.4415 26.8790 175.4502 98 V 2.9402 7.6180 118.4727 61.8981 32.0808 175.0162 99 D 4.3777 8.2623 128.1616 53.5033 41.7555 175.3559 100 P 3.8771 0.0000 0.0000 65.8496 31.1180 178.1892 101 D 4.3953 8.3804 118.8716 57.5607 40.6309 178.5182 102 N 4.3242 7.8213 116.3050 56.0575 38.3110 177.3808 103 F 4.4930 7.5466 119.4975 60.5838 38.9263 177.8054 104 K 4.0430 8.0969 117.6883 59.2468 31.9261 179.3053 105 L 3.7302 7.7808 119.3543 57.6195 41.4524 179.2785 106 L 4.0368 8.3393 120.6504 58.2709 41.9643 179.0443 107 S 4.1779 8.3808 115.2605 61.8735 62.7939 176.4969 108 D 4.4583 8.4021 121.5168 57.5296 40.4798 178.5632 109 C 4.1505 8.3142 117.2061 62.8109 28.1620 175.8555 110 L 4.0632 8.0996 123.1996 57.9815 41.6970 179.0773 111 T 4.1071 8.3448 115.7274 66.8960 68.4245 176.6979 112 I 3.7259 7.8793 121.6645 64.1304 37.1157 178.4911 113 V 3.4960 8.0247 119.5005 66.0773 31.3634 178.2794 114 V 3.2106 7.9410 117.8960 65.7679 31.2946 177.6021 115 A 3.3947 7.7286 120.5607 55.0436 17.8964 179.5094 116 A 3.8810 7.7021 118.0914 55.1172 18.4978 179.4798 117 Q 3.9452 7.6393 117.0299 59.4578 29.0984 178.1640 118 L 4.1181 8.3888 119.8153 55.2840 42.0809 178.3222 119 G 3.8866 8.6728 108.0538 45.9634 0.0000 176.7329 120 K 3.8232 8.9735 123.0663 59.1414 32.0984 177.7333 121 A 4.1111 7.5832 119.8139 54.4958 18.7047 177.8809 122 F 4.5499 7.9027 120.6047 56.9885 37.7394 175.2454 123 S 4.5499 7.5893 120.9754 56.9792 65.7210 175.2315 124 G 3.6849 8.5333 107.9006 48.1740 0.0000 175.3570 125 E 3.9709 8.1220 120.7662 59.0800 29.5047 179.5881 126 V 3.6622 7.6887 117.8242 66.1380 31.5354 177.8539 127 Q 3.5330 7.8156 119.3074 58.7794 28.7692 177.9384 128 A 4.0340 8.4236 122.1556 55.2174 18.4463 179.5372 129 A 4.1751 8.0766 118.8086 55.3145 18.4156 179.6169 130 F 4.4372 8.5796 119.3372 61.6908 39.4117 177.1953 131 Q 4.0089 8.7623 119.5589 58.7094 28.8314 177.8261 132 K 3.9342 8.3166 120.9053 59.4939 32.2791 178.2140 133 F 4.5346 8.5462 120.8260 61.8252 39.2421 177.2273 134 L 3.6999 8.2472 118.5128 57.6516 41.3248 179.7337 135 S 4.1302 8.3155 115.7483 61.3760 62.6688 176.8936 136 V 3.4786 7.7316 121.0667 65.7975 31.2994 178.2247 137 V 3.1081 7.4077 117.9916 65.9623 31.3024 178.2381 138 V 3.3549 7.9708 118.3517 65.8423 31.1083 177.8795 139 S 4.0491 7.8822 111.9255 61.3296 62.2958 175.7858 140 A 4.0704 7.8940 122.4697 54.4428 18.4819 178.7763 141 L 4.1179 7.7262 119.0608 56.3129 42.0799 177.1736 142 G 4.1869 7.1373 107.0692 44.3194 0.0000 172.9026 143 K 3.7069 8.4793 120.4306 56.7115 32.4167 175.7034 144 Q 4.3922 8.2357 124.6818 54.8345 29.8237 175.0628 145 Y 4.5283 8.3558 119.2741 58.1962 39.2246 175.4932 146 H 4.5363 7.7375 121.9489 56.0093 29.9462 172.9934 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 1 V 8.05 3.63 1.68 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 0.60 0.00 0.00 -0.55 0.00 0.00 2 V 7.88 3.88 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 0.82 0.00 0.00 0.85 0.00 0.00 3 W 8.35 4.91 0.00 3.35 3.09 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 4 T 9.02 4.42 4.37 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 0.00 0.00 0.00 1.31 0.00 0.00 5 D 8.67 4.39 0.00 2.87 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 6 F 8.44 4.08 0.00 3.11 3.16 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 7 E 8.32 3.94 0.00 2.56 2.33 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 2.62 2.68 0.00 8 R 8.01 3.60 0.00 1.79 1.83 0.00 3.14 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.90 0.00 9 A 8.03 3.90 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 10 T 7.77 3.58 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 1.07 0.00 0.00 11 I 7.70 3.67 1.47 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.68 0.08 0.00 0.00 12 A 7.59 3.94 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 13 D 8.10 4.24 0.00 2.91 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 14 I 8.01 3.75 1.98 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 1.44 0.47 0.37 0.00 0.00 15 F 8.35 4.15 0.00 3.20 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.24 4.31 0.00 4.03 4.14 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 17 K 7.72 4.37 0.00 1.85 1.82 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.43 7.81 18 L 7.04 4.44 0.00 1.85 1.65 0.33 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.54 4.45 0.00 2.69 2.57 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 20 Y 8.50 4.38 0.00 2.94 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.60 4.29 0.00 2.10 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 2.40 2.27 0.00 22 A 8.34 3.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.15 3.59 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 1.04 0.00 0.00 0.93 0.00 0.00 24 G 7.93 4.14 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 0.00 0.00 0.00 25 G 8.24 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.18 4.00 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.25 3.80 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 1.28 0.00 0.00 28 L 8.19 3.93 0.00 1.69 1.59 0.72 1.17 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 29 A 8.04 3.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.06 3.73 0.00 2.05 2.09 0.00 3.10 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 31 C 8.17 4.14 0.00 3.08 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.99 3.94 0.00 1.66 1.63 0.67 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.37 3.81 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.43 0.83 0.00 0.00 34 V 7.73 3.55 1.54 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 -0.15 0.00 0.00 0.77 0.00 0.00 35 Y 7.32 3.77 0.00 2.65 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 36 P 0.00 5.05 0.00 2.19 2.05 0.00 3.65 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.05 0.00 37 W 7.77 4.36 0.00 3.57 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 38 T 7.42 4.21 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 1.25 0.00 0.00 39 Q 8.09 4.18 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 40 R 7.86 3.81 0.00 1.70 1.55 0.00 3.11 0.00 0.00 2.86 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 41 Y 7.39 4.16 0.00 2.40 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 42 F 8.00 4.60 0.00 2.81 2.15 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 43 G 8.36 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 44 N 8.23 5.13 0.00 2.91 2.91 0.00 0.00 6.75 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.55 4.72 0.00 3.09 3.09 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 46 G 8.22 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.73 4.32 0.00 2.71 2.80 0.00 0.00 6.61 7.78 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 48 L 8.13 4.69 0.00 1.65 1.53 0.97 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 *50 N 8.42 4.44 0.00 2.78 2.73 0.00 0.00 6.92 8.65 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 51 A 8.47 3.94 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 52 A 8.09 3.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.11 3.94 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 54 I 7.71 3.80 1.98 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 1.51 0.96 0.86 0.00 0.00 55 M 8.39 4.15 0.00 1.94 2.28 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 3.04 0.00 56 G 7.63 4.08 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 0.00 0.00 0.00 57 N 7.55 4.53 0.00 2.96 2.74 0.00 0.00 6.87 7.57 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 58 P 0.00 4.33 0.00 2.29 2.29 0.00 3.76 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 59 M 8.32 4.07 0.00 1.64 2.31 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.66 0.00 60 I 8.01 3.86 2.02 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 1.46 0.81 0.83 0.00 0.00 61 A 7.92 4.00 1.39 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 0.00 0.00 62 K 7.99 3.93 0.00 1.90 2.03 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.47 7.81 63 H 8.72 4.48 0.00 3.83 3.44 0.00 5.85 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.52 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.86 3.94 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 1.37 0.00 0.00 66 T 8.03 3.97 4.39 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 1.26 0.00 0.00 67 I 7.72 3.68 2.02 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 1.54 0.75 0.94 0.00 0.00 68 L 7.81 3.89 0.00 1.66 1.06 0.83 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.59 4.34 0.00 3.42 3.42 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.23 3.57 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 0.00 71 L 8.22 4.16 0.00 1.93 1.87 1.15 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.11 4.12 0.00 2.91 2.94 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 73 R 7.66 3.93 0.00 2.10 2.16 0.00 3.30 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 74 A 7.77 4.06 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 75 V 7.55 3.25 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 0.56 0.00 0.00 -0.32 0.00 0.00 76 K 7.96 4.34 0.00 1.74 1.81 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.52 1.62 7.81 77 N 7.91 5.05 0.00 2.85 2.72 0.00 0.00 6.97 7.35 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 78 M 8.03 4.19 0.00 1.34 1.81 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.15 0.00 79 D 8.04 5.01 0.00 2.73 2.78 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 80 N 8.30 5.10 0.00 2.75 2.68 0.00 0.00 7.18 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.07 3.55 1.75 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 1.34 0.56 0.28 0.00 0.00 82 K 7.93 3.79 0.00 1.70 1.82 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.62 7.81 83 A 7.96 4.16 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.71 3.94 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 85 Y 8.20 4.51 0.00 3.03 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 86 A 7.76 4.04 1.40 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 0.00 0.00 0.00 87 E 8.10 3.99 0.00 1.97 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 2.39 2.33 0.00 88 L 7.77 3.93 0.00 1.51 1.45 0.16 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.40 4.64 0.00 4.03 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 90 V 7.53 3.51 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 0.91 0.00 0.00 0.95 0.00 0.00 91 L 8.15 3.90 0.00 1.73 1.85 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.44 4.41 0.00 3.35 3.55 0.00 5.83 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 7.81 4.54 0.00 3.85 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 94 E 8.43 3.84 0.00 1.92 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 2.29 2.35 0.00 95 K 7.97 4.12 0.00 1.67 1.95 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.44 7.81 96 L 8.00 4.30 0.00 1.55 1.60 0.70 1.25 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 97 H 7.71 4.07 0.00 3.33 3.37 0.00 5.65 0.00 0.00 0.00 0.00 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.62 2.94 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 -0.17 0.00 0.00 0.40 0.00 0.00 99 D 8.26 4.38 0.00 2.71 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 0.00 100 P 0.00 3.88 0.00 2.38 2.46 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 101 D 8.38 4.40 0.00 2.74 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 0.00 102 N 7.82 4.32 0.00 2.40 2.71 0.00 0.00 6.93 7.95 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 0.00 103 F 7.55 4.49 0.00 3.20 2.94 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 0.00 104 K 8.10 4.04 0.00 2.02 1.86 0.00 1.63 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.63 7.81 105 L 7.78 3.73 0.00 1.65 1.05 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.34 4.04 0.00 1.84 1.91 1.00 0.99 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 0.00 107 S 8.38 4.18 0.00 4.13 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 0.00 108 D 8.40 4.46 0.00 2.93 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 0.00 109 C 8.31 4.15 0.00 3.25 3.03 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 0.00 110 L 8.10 4.06 0.00 1.84 1.99 0.96 0.89 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 0.00 111 T 8.34 4.11 4.58 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 1.52 0.00 0.00 112 I 7.88 3.73 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.78 0.90 0.00 0.00 113 V 8.02 3.50 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 0.93 0.00 0.00 0.93 0.00 0.00 114 V 7.94 3.21 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 -0.04 0.00 0.00 0.63 0.00 0.00 115 A 7.73 3.39 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 0.00 116 A 7.70 3.88 1.31 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 0.00 0.00 0.00 117 Q 7.64 3.95 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 118 L 8.39 4.12 0.00 1.59 1.70 0.88 0.93 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 0.00 119 G 8.67 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 0.00 120 K 8.97 3.82 0.00 1.72 1.89 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.53 7.81 121 A 7.58 4.11 1.39 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 0.00 0.00 122 F 7.90 4.55 0.00 2.84 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 0.00 123 S 7.59 4.55 0.00 4.07 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.53 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.12 3.97 0.00 2.01 1.95 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 2.26 2.27 0.00 126 V 7.69 3.66 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 0.86 0.00 0.00 1.08 0.00 0.00 127 Q 7.82 3.53 0.00 1.39 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 128 A 8.42 4.03 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.08 4.18 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 F 8.58 4.44 0.00 3.35 3.43 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 0.00 131 Q 8.76 4.01 0.00 2.41 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 132 K 8.32 3.93 0.00 2.10 2.26 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.19 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.43 1.39 7.81 133 F 8.55 4.53 0.00 3.19 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 0.00 134 L 8.25 3.70 0.00 1.62 1.59 0.67 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.32 4.13 0.00 4.00 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 0.00 136 V 7.73 3.48 2.23 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 0.97 0.00 0.00 0.83 0.00 0.00 137 V 7.41 3.11 1.76 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 0.87 0.00 0.00 -0.04 0.00 0.00 138 V 7.97 3.35 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 0.99 0.00 0.00 0.95 0.00 0.00 139 S 7.88 4.05 0.00 3.95 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 0.00 140 A 7.89 4.07 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 0.00 141 L 7.73 4.12 0.00 1.70 0.76 0.56 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.14 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 0.00 0.00 0.00 0.00 143 K 8.48 3.71 0.00 1.63 1.54 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.56 1.19 7.81 144 Q 8.24 4.39 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 145 Y 8.36 4.53 0.00 2.69 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 0.00 146 H 7.74 4.54 0.00 3.10 3.14 0.00 5.73 0.00 0.00 0.00 0.00 6.91 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.