NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6797 8.1933 115.4104 57.6657 64.5595 174.3952 2 L 4.0469 8.2203 121.3988 57.6568 41.1528 178.6961 3 I 3.7756 8.5857 120.8237 64.4989 37.5172 178.0255 4 Q 4.0102 7.7584 117.8753 58.7656 28.5453 178.4130 5 F 4.5463 8.6634 122.0191 61.5307 39.4591 176.8424 6 E 3.7588 8.5334 118.9995 59.5796 29.4650 178.8885 7 T 3.9271 8.2292 116.0044 66.6521 68.5076 176.6844 8 L 4.0184 8.4059 121.3113 57.5087 41.5831 179.6537 9 I 3.7429 7.5375 119.9941 64.4968 37.1678 178.2334 10 M 4.1056 8.1283 119.5536 58.5045 31.5864 179.0614 11 K 4.1465 8.0105 117.4467 58.8548 32.6288 179.3083 12 V 3.8498 7.8118 118.4506 65.6027 31.8444 178.0613 13 V 3.7640 7.9263 116.5984 63.4335 31.0847 175.9459 14 K 4.1410 7.3310 112.7591 56.4529 30.4466 175.7603 15 K 4.5988 7.9654 120.5119 55.7053 33.3704 178.2853 *16 S 4.3754 8.2657 115.3016 59.8323 63.0103 177.8406 17 G 3.9164 8.2338 107.1660 48.7732 0.0000 174.2939 18 M 4.1366 8.1204 116.1842 54.6509 33.3096 175.5295 19 F 3.7459 7.7672 117.0665 55.1811 39.7153 174.6978 20 W 4.9386 7.6514 125.2263 55.6007 30.5154 176.0715 21 Y 4.9285 8.4688 118.1102 58.0098 38.5525 176.8123 22 S 4.5813 8.8226 115.6798 59.5387 64.9230 174.3434 23 A 4.7772 7.5665 124.0703 51.2545 19.3254 174.8123 24 Y 5.0237 8.7648 124.5006 56.4440 42.2203 175.1423 25 G 3.5481 8.0845 115.7414 47.2944 0.0000 174.0934 26 C 4.7813 9.1975 116.8587 57.1119 41.7099 174.3119 27 Y 4.4161 8.6677 114.6943 57.4782 39.6384 175.4757 28 C 4.7154 9.1103 118.7354 56.2894 39.0742 173.7810 29 G 4.0600 7.9954 110.8323 44.1788 0.0000 169.7260 30 W 4.1588 8.2217 120.7325 57.9091 29.9720 177.3787 31 G 3.9896 8.4966 111.1601 45.8812 0.0000 171.6702 32 G 4.2242 7.8839 114.0102 42.9238 0.0000 170.9129 33 H 4.4688 7.2659 120.8195 56.4343 33.4182 175.4098 34 G 4.5500 8.4038 110.0480 45.9876 0.0000 173.4726 35 R 4.6541 8.2894 119.3032 53.1549 32.6036 173.4259 36 P 4.5238 0.0000 0.0000 63.6868 31.5990 176.7225 37 Q 4.1402 9.3007 122.4845 57.6236 29.5865 175.0872 38 D 4.4529 7.1504 114.9340 51.7174 41.4684 175.0392 39 A 3.9716 8.8260 119.9115 56.1871 18.7359 179.7280 40 T 4.1266 7.9636 113.7651 67.0502 68.7660 176.2525 41 D 4.6087 9.2061 120.0718 57.3362 41.1622 178.2095 42 R 4.0396 8.0147 119.2059 59.1451 30.1559 177.6880 43 C 4.3145 8.2686 116.7295 60.3364 40.7353 175.4543 44 C 4.3850 8.4280 117.5429 59.6795 36.1896 175.7875 45 F 3.7785 8.1178 122.3069 61.1845 38.9098 177.4390 46 V 3.3041 7.9436 117.9291 65.9724 31.2825 177.5161 47 H 3.8607 7.9915 117.8249 59.2749 29.8168 177.0683 48 D 4.2200 8.1607 120.8476 57.4409 40.5252 178.1760 49 C 4.1602 7.6449 117.1835 59.8250 39.8744 175.2720 50 C 4.1427 7.7966 119.5769 59.8360 41.7522 174.9795 51 Y 4.2162 8.1179 118.5305 60.7632 37.1848 178.3323 52 G 3.8056 7.8101 105.7318 46.9519 0.0000 174.9199 53 K 4.3967 7.5033 118.5877 55.4772 32.5393 176.5858 54 V 4.4643 6.8214 111.9624 59.7071 33.6940 175.4897 55 T 4.5979 8.3940 112.6423 61.2095 71.5812 173.3424 56 G 4.1079 9.2998 111.9391 46.1329 0.0000 172.2282 57 C 4.7778 7.6234 111.6626 54.1869 42.6432 172.2984 58 D 4.7973 8.7883 120.1841 51.8478 41.5291 175.4230 59 P 4.1285 0.0000 0.0000 64.7999 31.9124 177.8521 60 K 4.1706 8.3444 121.4559 59.5286 32.3102 178.8237 *61 M 4.5200 7.4956 112.9105 54.4288 33.4176 177.6522 62 D 4.6310 7.8967 117.2900 54.7123 41.6337 175.9125 63 S 4.6700 8.4501 119.6671 57.1282 64.3812 173.0685 64 Y 4.8633 8.0104 122.3998 55.5151 40.6596 174.6305 65 T 4.8693 8.1587 115.9546 62.5543 70.9824 173.5713 66 Y 5.1530 7.8180 120.0771 56.6144 40.7568 173.0392 67 S 4.7509 9.2026 116.7639 56.5456 67.2285 173.6598 68 E 5.6576 8.0962 117.0485 53.9452 29.3586 176.3756 69 E 4.1095 8.0410 119.7489 58.0738 29.9040 177.6867 *70 N 4.5664 9.9542 126.9257 51.4361 34.4386 173.1679 71 G 4.1549 8.8626 106.9115 45.9356 0.0000 172.9573 *72 D 4.8547 7.8771 118.7633 51.6718 41.9399 180.1354 73 I 4.9305 8.0923 119.6727 60.5509 38.7973 175.3260 74 V 4.3637 8.5134 127.7469 61.2969 33.4970 173.8397 75 C 4.9699 8.8946 125.8168 55.5681 40.9951 172.2376 76 G 3.7968 8.5232 112.8505 46.7369 0.0000 174.4998 77 G 4.0493 9.2705 116.3192 44.6974 0.0000 171.4995 78 D 4.9029 8.1935 114.5228 51.6182 39.4864 177.1266 79 D 4.5072 7.7615 118.6332 52.2825 44.1757 172.0768 80 P 4.2146 0.0000 0.0000 66.1533 31.0620 178.9024 81 C 4.2399 8.4734 118.2239 59.4655 41.2574 175.6531 82 K 3.8880 8.1172 119.5005 59.0297 31.9675 179.0353 83 R 3.9796 8.2615 118.8951 58.6523 29.9112 178.4653 84 E 3.8872 7.7553 118.9862 59.4419 29.4935 179.0130 85 I 3.5571 7.3296 119.9744 64.5538 37.1467 177.6782 86 C 2.9072 7.6243 119.1341 59.2137 43.6440 175.5249 87 E 3.8320 7.7838 119.8750 59.3771 28.7107 178.6096 88 C 4.2254 8.0475 116.7432 59.9888 41.1998 175.9118 89 D 4.1237 7.7931 120.0668 56.9846 40.5845 178.7151 90 R 3.7870 8.2045 119.6446 59.3859 30.0814 178.7101 91 V 3.4506 7.7017 117.6468 65.9457 31.4499 177.7756 92 A 3.5425 7.5024 119.9852 54.8906 18.1205 179.4037 93 A 3.6076 7.8160 119.1558 55.4020 18.3727 179.6755 94 D 4.2498 7.7934 116.8790 57.3598 40.5973 178.1377 95 C 4.1768 7.7589 118.3289 59.6322 38.1734 175.3187 96 F 4.5665 7.9198 119.6195 60.8297 38.2638 177.7339 97 R 3.9016 7.7944 116.8683 59.2725 29.9837 177.5562 98 D 4.6622 8.3461 116.6273 55.2177 41.3004 176.4972 99 N 5.0963 7.6238 116.6249 52.8822 39.2959 176.5406 100 L 4.0948 7.9298 121.8305 57.6087 41.8090 178.9503 101 D 4.4872 8.1389 116.7791 55.3077 39.5494 176.5238 102 T 4.4356 7.6513 112.4550 61.6511 68.6490 173.3930 103 Y 4.1066 7.5660 121.7276 59.0754 39.3961 176.1313 104 N 5.1251 9.4001 126.1227 51.2915 39.0213 174.7094 105 S 4.2826 8.0292 117.0098 61.1674 63.4322 176.1747 106 D 4.3873 8.1661 121.4647 56.8623 40.5496 177.5746 107 T 4.1895 7.4940 114.0782 63.9441 70.2141 174.6193 108 Y 4.3005 7.5984 116.1660 57.0092 38.8489 175.0132 109 W 4.6067 8.1126 131.5904 58.0026 30.9454 175.8316 110 R 3.5430 8.1483 126.5076 56.7427 27.2756 176.2612 111 Y 4.2805 8.1015 117.7682 57.2336 39.6289 173.9101 112 P 4.1136 0.0000 0.0000 63.5870 32.1308 178.2417 113 R 3.9590 8.5789 120.9154 59.0762 29.5495 176.4238 114 Q 4.1840 7.8942 114.1660 58.6217 28.5182 176.6772 115 D 4.6360 7.5259 116.7969 54.9925 41.0220 175.8622 116 C 5.1028 8.3350 116.7128 56.9477 41.2930 173.8696 117 E 4.5720 8.3560 117.0665 56.5007 29.4023 175.9969 118 E 4.5249 7.8716 118.8075 54.9513 30.9172 175.9877 119 S 4.4595 8.4895 119.0469 57.5574 63.4499 172.8212 120 P 4.7321 0.0000 0.0000 62.3478 31.6331 175.9061 121 E 4.3586 8.3215 119.1378 54.9004 30.4818 174.9870 122 P 4.4785 0.0000 0.0000 63.0964 32.0726 177.4861 123 C 4.4687 8.6227 116.4375 57.4315 41.2499 173.8737 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 S 8.19 4.68 0.00 4.05 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.22 4.05 0.00 1.85 1.92 1.15 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.59 3.78 1.90 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 1.68 0.69 0.94 0.00 0.00 4 Q 7.76 4.01 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 5 F 8.66 4.55 0.00 3.31 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 6 E 8.53 3.76 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 7 T 8.23 3.93 4.44 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 1.31 0.00 0.00 8 L 8.41 4.02 0.00 2.01 1.71 0.46 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.54 3.74 1.95 0.00 0.00 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 1.39 0.71 1.01 0.00 0.00 10 M 8.13 4.11 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.61 0.00 11 K 8.01 4.15 0.00 1.75 1.90 0.00 1.81 0.00 0.00 2.03 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.70 7.81 12 V 7.81 3.85 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 1.02 0.00 0.00 0.95 0.00 0.00 13 V 7.93 3.76 2.28 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 0.89 0.00 0.00 1.00 0.00 0.00 14 K 7.33 4.14 0.00 1.91 1.81 0.00 1.76 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.62 1.48 7.81 15 K 7.97 4.60 0.00 1.72 1.84 0.00 1.49 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.51 7.81 *16 S 8.27 4.38 0.00 3.63 3.77 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 17 G 8.23 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 18 M 8.12 4.14 0.00 1.58 2.01 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.29 0.00 19 F 7.77 3.75 0.00 2.90 2.30 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 20 W 7.65 4.94 0.00 2.98 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 21 Y 8.47 4.93 0.00 2.81 2.69 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 22 S 8.82 4.58 0.00 4.17 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 0.00 23 A 7.57 4.78 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.76 5.02 0.00 3.29 2.91 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 25 G 8.08 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.20 4.78 0.00 3.20 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 27 Y 8.67 4.42 0.00 3.37 3.13 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 28 C 9.11 4.72 0.00 3.53 3.49 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 29 G 8.00 4.06 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 0.00 0.00 0.00 30 W 8.22 4.16 0.00 3.36 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.50 3.99 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 0.00 0.00 0.00 32 G 7.88 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 7.27 4.47 0.00 3.02 3.14 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.40 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.29 4.65 0.00 1.79 1.74 0.00 3.04 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 36 P 0.00 4.52 0.00 1.91 1.99 0.00 3.28 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.62 0.00 37 Q 9.30 4.14 0.00 1.06 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.52 0.00 0.00 0.00 0.00 0.00 2.49 1.99 0.00 38 D 7.15 4.45 0.00 2.84 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 39 A 8.83 3.97 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.96 4.13 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 1.03 0.00 0.00 41 D 9.21 4.61 0.00 2.92 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 42 R 8.01 4.04 0.00 2.06 2.09 0.00 3.15 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 43 C 8.27 4.31 0.00 3.55 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 44 C 8.43 4.38 0.00 3.39 3.53 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 45 F 8.12 3.78 0.00 2.36 2.98 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 46 V 7.94 3.30 2.02 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 0.85 0.00 0.00 1.04 0.00 0.00 47 H 7.99 3.86 0.00 3.20 3.30 0.00 5.64 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 48 D 8.16 4.22 0.00 2.86 2.69 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 49 C 7.64 4.16 0.00 2.85 2.89 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 50 C 7.80 4.14 0.00 3.00 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 51 Y 8.12 4.22 0.00 2.96 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 52 G 7.81 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.50 4.40 0.00 1.68 1.80 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.50 7.81 54 V 6.82 4.46 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 0.75 0.00 0.00 0.86 0.00 0.00 55 T 8.39 4.60 4.23 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 1.20 0.00 0.00 56 G 9.30 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 C 7.62 4.78 0.00 3.02 3.01 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 58 D 8.79 4.80 0.00 2.72 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 59 P 0.00 4.13 0.00 0.49 1.43 0.00 3.68 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 60 K 8.34 4.17 0.00 2.02 2.01 0.00 1.95 0.00 0.00 2.04 0.00 0.00 3.02 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.59 1.51 7.81 *61 M 7.50 4.52 0.00 2.14 1.93 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 62 D 7.90 4.63 0.00 2.96 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 63 S 8.45 4.67 0.00 3.80 3.67 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 64 Y 8.01 4.86 0.00 3.06 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 65 T 8.16 4.87 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 66 Y 7.82 5.15 0.00 3.15 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 67 S 9.20 4.75 0.00 3.78 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.10 5.66 0.00 1.96 1.90 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 2.31 2.48 0.00 69 E 8.04 4.11 0.00 1.97 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 2.34 2.33 0.00 *70 N 9.95 4.57 0.00 2.86 2.78 0.00 0.00 6.62 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.86 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *72 D 7.88 4.85 0.00 2.61 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 0.00 0.00 0.00 0.00 73 I 8.09 4.93 1.85 0.00 0.00 0.80 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 1.04 0.86 0.00 0.00 74 V 8.51 4.36 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 1.08 0.00 0.00 1.02 0.00 0.00 75 C 8.89 4.97 0.00 3.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.52 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.27 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 0.00 0.00 0.00 78 D 8.19 4.90 0.00 2.74 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 79 D 7.76 4.51 0.00 2.72 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 0.00 0.00 0.00 0.00 80 P 0.00 4.21 0.00 2.28 2.29 0.00 3.74 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 2.06 2.02 0.00 81 C 8.47 4.24 0.00 3.02 3.17 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 82 K 8.12 3.89 0.00 1.90 1.97 0.00 1.76 0.00 0.00 2.07 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.67 7.81 83 R 8.26 3.98 0.00 1.98 1.89 0.00 3.07 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 84 E 7.76 3.89 0.00 2.15 1.90 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 2.27 2.39 0.00 85 I 7.33 3.56 2.05 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 1.21 1.24 0.98 0.00 0.00 86 C 7.62 2.91 0.00 1.92 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 87 E 7.78 3.83 0.00 2.11 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 2.45 2.42 0.00 88 C 8.05 4.23 0.00 3.21 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 89 D 7.79 4.12 0.00 2.78 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 90 R 8.20 3.79 0.00 1.91 1.82 0.00 3.36 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 91 V 7.70 3.45 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 0.85 0.00 0.00 0.86 0.00 0.00 92 A 7.50 3.54 0.98 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 93 A 7.82 3.61 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 94 D 7.79 4.25 0.00 2.77 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 95 C 7.76 4.18 0.00 2.98 3.01 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 96 F 7.92 4.57 0.00 3.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 7.79 3.90 0.00 1.79 2.07 0.00 3.39 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 98 D 8.35 4.66 0.00 2.66 2.69 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 99 N 7.62 5.10 0.00 2.90 2.85 0.00 0.00 6.90 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 0.00 100 L 7.93 4.09 0.00 1.59 1.53 0.43 -0.12 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 0.00 101 D 8.14 4.49 0.00 2.80 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 0.00 102 T 7.65 4.44 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 103 Y 7.57 4.11 0.00 3.12 3.25 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 0.00 104 N 9.40 5.13 0.00 3.01 2.83 0.00 0.00 6.51 7.52 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 0.00 105 S 8.03 4.28 0.00 4.12 4.35 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 0.00 106 D 8.17 4.39 0.00 2.62 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 0.00 107 T 7.49 4.19 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 0.26 0.00 0.00 108 Y 7.60 4.30 0.00 1.81 1.90 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 0.00 109 W 8.11 4.61 0.00 3.44 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 0.00 110 R 8.15 3.54 0.00 1.89 1.94 0.00 3.36 0.00 0.00 3.03 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.52 0.00 111 Y 8.10 4.28 0.00 3.00 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 0.00 112 P 0.00 4.11 0.00 2.15 1.82 0.00 3.16 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 1.94 1.99 0.00 113 R 8.58 3.96 0.00 1.73 1.94 0.00 3.25 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 114 Q 7.89 4.18 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.98 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 115 D 7.53 4.64 0.00 2.31 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 C 8.34 5.10 0.00 2.94 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.36 4.57 0.00 1.96 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 2.24 2.42 0.00 118 E 7.87 4.52 0.00 2.05 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 2.37 2.35 0.00 119 S 8.49 4.46 0.00 3.88 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 0.00 120 P 0.00 4.73 0.00 2.43 2.29 0.00 3.35 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 121 E 8.32 4.36 0.00 1.88 1.90 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 2.27 2.28 0.00 122 P 0.00 4.48 0.00 2.07 2.03 0.00 3.70 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 2.05 2.15 0.00 123 C 8.62 4.47 0.00 2.92 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 * Residues marked with a * may have inaccurate shift predictions.