NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2904 8.1744 117.3713 63.5723 70.1988 172.9832 4 R 4.4541 7.7764 120.3280 51.4222 32.5386 172.7340 5 P 4.1998 0.0000 0.0000 63.2157 32.5250 175.2681 6 R 4.3094 7.6976 117.7453 54.2194 33.5103 174.7738 7 F 4.9223 8.3964 119.6758 55.4493 41.5247 174.5426 8 L 4.7631 8.3221 126.2924 53.0379 44.7504 174.8016 9 W 5.8342 9.1469 135.0000 56.7809 31.1528 176.1421 10 Q 4.6743 9.0082 128.0218 53.3111 28.1938 173.3044 11 P 4.0529 0.0000 0.0000 62.4468 33.2414 177.4055 12 K 4.1866 8.8223 121.2091 55.7077 36.0560 175.7516 13 R 4.4135 8.5387 126.1716 54.6573 30.7332 176.2972 14 E 4.4902 7.9361 123.2235 54.3602 30.9141 175.2126 15 C 4.5222 8.7060 122.7120 56.9249 36.0497 173.0881 16 H 4.6470 8.7430 120.2885 54.1740 30.6500 173.1606 17 F 5.3930 8.5182 122.1542 56.2497 40.4537 175.6524 18 F 4.6573 8.7525 118.4551 56.4861 42.9688 174.3244 19 N 4.2382 9.8380 121.3178 54.8324 37.8215 173.1046 20 G 3.7640 7.6078 111.9595 47.1501 0.0000 173.0935 21 T 4.3157 8.0769 115.5706 61.4287 68.9325 175.6645 22 E 4.0176 7.8033 124.1730 59.0311 29.7946 177.1440 23 R 4.4819 7.6820 118.2255 55.7877 33.1665 174.4319 24 V 4.6934 8.2754 123.6419 61.7120 34.3473 175.6746 25 R 4.8900 8.4976 124.4472 55.0025 32.2819 174.1270 26 F 4.7524 8.9837 129.2899 58.4975 41.1152 173.6629 27 L 4.7703 5.6200 117.0374 54.5762 43.8379 170.9536 28 D 4.3565 8.6233 124.5814 53.1222 43.0553 174.8287 29 R 4.9259 8.7646 124.2932 54.7464 34.4098 173.7222 30 Y 4.6074 8.7352 121.0364 56.1917 41.3621 175.2334 31 F 5.8994 8.1308 119.5146 55.2928 43.2253 173.2746 32 Y 5.0350 9.2844 126.5384 58.4388 39.8273 176.2139 33 N 4.2715 9.2845 126.6197 53.5061 38.3242 175.7452 34 Q 4.3192 8.5857 118.9349 56.7253 28.4384 176.1471 35 E 4.9011 8.3736 116.0661 53.4933 32.6033 174.2077 36 E 3.8729 8.9599 126.1784 56.0482 30.5480 175.0517 37 S 5.0486 9.0381 120.1448 58.6609 65.0878 174.0668 38 V 5.1164 7.7653 120.4527 59.2337 35.3120 173.8493 39 R 5.1938 9.1510 117.7566 55.6594 33.7982 173.2436 40 F 4.5280 9.3428 121.3272 57.3040 42.7811 172.4192 41 D 5.2937 8.2723 126.5600 52.4973 42.9650 177.3278 42 S 4.7401 8.9843 120.3727 60.6572 63.3300 175.1849 43 D 4.6966 9.0723 120.1138 54.6351 41.2668 176.9934 44 V 3.9104 7.6438 118.6441 61.7329 31.7962 175.9572 45 G 4.2123 7.8988 105.1026 45.9423 0.0000 172.7163 46 E 4.6316 6.5859 113.6360 55.0924 32.2793 176.4525 47 F 4.4971 8.6293 119.7898 58.6242 39.8080 175.1755 48 R 4.8214 8.7743 120.0731 55.0854 34.8479 174.1402 49 A 4.7569 8.6686 125.3944 51.5986 19.3050 177.6076 50 V 4.1407 8.9345 115.7871 62.7558 32.9966 175.8573 51 T 4.7328 7.5606 108.8424 58.9790 72.1850 174.3186 52 E 3.9935 8.8476 119.9633 59.6162 29.2460 179.4993 53 L 3.4978 7.7953 118.4940 58.3980 40.4526 178.3745 54 G 3.9400 7.6877 103.7513 45.7776 0.0000 174.9277 55 R 3.9435 8.6573 120.6255 59.0051 29.9705 176.4324 56 P 4.0617 0.0000 0.0000 66.5072 30.9466 178.0258 57 D 3.3700 7.6618 117.8526 56.3881 40.7522 178.4550 58 A 3.9948 8.3846 122.3775 54.9892 18.3724 179.3294 59 E 3.7884 8.4598 118.1016 59.7140 29.6281 178.3176 60 Y 4.3630 7.7316 119.9102 59.8780 38.8685 178.0479 61 W 4.0412 7.4040 119.4376 59.5761 28.9372 178.1195 62 N 4.6470 7.8478 114.2119 55.2381 37.7309 176.7906 63 S 4.5188 7.6930 115.7915 59.3431 63.4935 174.1706 64 Q 4.4204 7.2856 122.8842 54.6161 29.0499 176.4635 65 K 3.9396 8.8983 124.4119 60.1888 32.1865 177.6468 66 D 4.6674 8.2652 118.1845 57.6475 40.5394 178.3907 67 I 3.6856 7.5770 120.6503 63.3800 37.8173 176.6450 68 L 4.8703 7.3116 120.6402 56.2491 43.6066 177.6188 69 E 4.0555 9.1699 118.9919 58.7817 29.7898 177.8459 70 Q 4.0335 8.4098 120.1738 58.3251 29.1188 177.0642 71 A 3.3333 7.8140 121.7822 55.0915 18.5456 179.5080 72 R 4.1231 7.8643 116.1115 59.1786 30.3926 178.5236 73 A 4.1605 7.6742 118.2006 53.6653 18.1009 178.6965 74 A 3.5406 7.5105 119.8594 54.5114 17.9992 179.8416 75 V 3.5768 7.3662 117.2835 64.9769 32.6300 176.3971 76 D 4.8100 8.7069 117.8920 56.5268 42.7661 177.4650 77 T 4.5483 8.0458 105.9446 61.8080 69.2452 173.7484 78 Y 4.6657 7.7087 121.8040 59.2498 40.7245 177.5001 79 C 4.3467 8.0814 116.8872 59.8709 40.1767 175.8860 80 R 3.9532 8.1838 119.8649 60.4528 30.0328 177.8266 81 H 4.2483 7.9363 115.9193 58.5764 29.7311 176.6569 82 N 4.2502 8.8921 118.0869 56.8756 38.8283 176.6453 83 Y 3.7712 8.5912 121.0488 60.8671 38.4372 178.6448 84 G 3.7483 8.0427 105.3298 47.1251 0.0000 175.0764 85 V 3.9946 8.2238 119.6987 63.9691 31.9464 177.2034 86 V 3.0832 7.1911 109.4367 60.4769 32.4191 176.6391 87 E 3.4887 8.0149 120.1283 59.7878 29.1568 179.6102 88 S 3.8461 6.6727 112.6162 60.7326 63.5288 174.9281 89 F 4.7741 7.0508 111.7505 56.6174 38.1061 175.0190 90 T 4.3787 7.3301 109.7548 63.1079 70.6868 176.1024 91 V 3.4645 7.5672 122.8380 64.8026 31.5027 176.8821 92 Q 4.4177 7.7348 114.9470 55.3528 29.2982 175.7106 93 R 3.9833 7.7824 119.5705 57.0125 30.5017 176.0493 94 R 5.0393 8.3586 122.9145 55.2570 34.2533 174.3988 95 V 4.5352 9.5996 124.8968 60.8616 34.4759 174.9478 96 Q 5.0592 8.7731 126.5646 55.0398 29.4679 174.2799 97 P 4.6206 0.0000 0.0000 62.4080 32.7537 175.9195 98 K 4.4693 8.7174 122.9935 55.0605 33.7042 175.3906 99 V 4.8803 8.3275 125.4280 61.5553 33.3566 175.0393 100 T 4.8285 8.7262 122.9562 61.9402 73.2715 172.9545 101 V 5.2033 8.6321 123.6999 60.2017 34.4418 174.0161 102 Y 4.9325 7.5062 124.3062 54.8359 41.8301 172.6005 103 P 4.6211 0.0000 0.0000 62.9663 32.9843 174.7651 104 S 4.5804 8.5987 114.4943 59.3774 70.0800 175.2199 *114 L 4.0551 7.6985 122.0385 54.8759 43.1585 174.7882 115 L 4.5427 9.3695 126.6608 52.9222 44.1538 175.6133 116 V 4.9040 8.1123 122.7765 61.1193 34.3753 173.1398 117 C 5.1623 9.7190 128.6715 54.6705 46.6813 172.2706 118 S 5.0514 9.2029 121.7276 56.4917 65.2227 172.9859 119 V 4.9625 8.6686 125.1214 61.0510 33.5996 174.5357 120 S 4.9257 8.7717 121.7347 57.1680 66.8894 174.5314 121 G 3.9537 8.8250 107.8999 47.2349 0.0000 173.5165 122 F 5.1091 7.4883 115.1723 56.2002 40.4196 173.9344 123 Y 4.8901 8.6614 118.3725 56.0578 42.6129 172.4153 124 P 3.1367 0.0000 0.0000 61.7584 32.2089 176.4792 125 G 2.6160 7.3663 108.0135 46.8260 0.0000 174.3201 126 S 4.0337 7.5346 114.9993 58.6030 62.8943 172.6544 127 I 4.3172 7.4633 124.3093 60.4605 40.8444 172.5327 128 E 4.6729 8.5097 126.8028 54.3809 33.1507 174.3223 129 V 4.7698 8.4050 125.4349 61.2810 34.0936 174.5262 130 R 4.8443 9.3518 126.7903 54.1662 34.1480 174.5504 131 W 5.4702 8.7148 120.6483 55.1456 32.5243 174.6899 132 F 5.1639 9.7124 122.0442 55.6282 42.5494 173.6960 133 L 4.3727 8.8567 125.9239 53.2700 43.3174 175.5467 134 N 4.1367 9.3992 126.1028 54.3116 36.1038 175.4659 135 G 4.1129 8.1814 104.1571 45.5469 0.0000 171.9103 136 Q 4.6034 7.7439 118.7820 53.5025 31.4073 174.3536 137 E 3.4946 8.3870 122.8195 56.6315 29.8045 175.8143 138 E 4.3980 8.7630 126.1244 55.1301 30.4021 176.1022 139 K 4.2515 8.5783 123.9232 56.5011 33.0303 175.8727 140 A 4.6274 7.8874 119.9296 52.2322 22.1504 175.5139 141 G 4.7416 8.7992 109.9653 46.5095 0.0000 172.4980 142 M 5.2217 7.9594 118.1189 53.1243 34.5207 175.4668 143 V 4.3284 9.1087 123.1562 61.4250 34.3345 175.0460 144 S 5.1125 8.8671 123.3191 56.5006 64.5569 172.9482 145 T 4.4689 8.2494 106.5051 59.9890 69.9473 174.6115 146 G 4.0025 8.0656 109.2462 44.5746 0.0000 172.9428 147 L 4.3841 8.1352 120.4022 55.4026 43.3135 176.5952 148 I 4.5374 8.2703 122.9540 59.9630 40.9778 174.9605 149 Q 3.7825 8.6293 126.2472 55.6690 29.2654 176.1465 150 N 4.6490 7.8378 116.7998 52.4692 39.9781 176.1070 151 G 3.8441 8.1195 106.3320 45.5592 0.0000 173.5583 152 D 4.9011 7.5747 117.1803 52.4757 40.0302 175.7916 153 W 3.3720 8.4622 115.6802 57.6719 25.3903 174.8894 154 T 4.7327 7.2348 104.1599 61.3489 71.4801 174.0912 155 F 5.3321 9.5172 126.0401 55.7712 41.1747 174.4231 156 Q 4.9438 8.1513 115.9499 55.8880 31.8569 173.3018 157 T 4.7499 9.2118 114.2726 61.1808 71.3148 172.0770 158 L 5.2932 9.0844 126.3716 52.8970 45.6089 175.5896 159 V 4.7846 8.9285 122.8686 61.3590 34.6767 173.9681 160 M 5.3160 9.5855 127.2856 53.4501 34.7434 174.2079 161 L 4.8575 9.2377 126.3039 52.9713 44.9056 174.6993 162 E 4.7417 8.5859 125.0518 55.2890 31.0512 175.3743 163 T 4.7633 8.0739 113.4914 60.6302 71.5896 174.2594 164 V 4.1038 7.9604 122.4110 59.1012 30.2570 173.2514 165 P 4.6588 0.0000 0.0000 63.8036 29.0118 176.3620 166 R 4.3121 8.9529 127.1371 55.5999 31.2827 175.9800 167 S 4.0670 8.3023 117.4091 59.6276 63.0328 173.0110 168 G 4.2426 8.8208 114.4761 45.6397 0.0000 174.3064 169 E 3.9381 7.3531 117.4688 56.5098 30.0946 176.5604 170 V 4.4334 7.9909 121.0743 61.5479 34.6751 173.6401 171 Y 5.2221 8.9117 125.6628 57.2608 40.5181 175.0778 172 T 5.2867 9.2837 118.6384 62.2624 73.1272 172.0239 173 C 4.5115 9.3059 127.3012 55.2860 43.7833 171.7765 174 Q 5.0053 9.3728 127.9667 54.1993 31.4850 173.9908 175 V 4.5909 9.1994 127.3876 61.1429 34.4919 173.7585 176 E 4.8777 9.1645 128.4210 55.0417 31.4569 174.7397 177 H 4.8937 8.6089 123.6474 54.2105 32.9225 172.4304 178 P 3.6243 0.0000 0.0000 65.5639 31.6672 177.6471 179 S 4.3715 8.3397 112.6881 59.8144 63.4352 174.1740 180 V 4.7597 8.3095 121.4423 59.3498 33.3909 175.5174 181 T 3.9933 8.8650 114.3917 63.9940 68.5896 174.4900 182 S 4.6254 7.4547 115.4855 55.4538 65.3181 171.1413 183 P 4.1530 0.0000 0.0000 59.8507 32.6124 174.9138 184 L 4.7212 8.7833 121.5865 53.9721 43.6609 175.8070 185 T 5.6895 8.0957 111.6015 59.7700 71.9056 173.3052 186 V 4.5174 8.3603 117.6711 59.6221 35.0497 174.5902 187 E 5.2053 8.8738 123.7119 54.7612 31.8931 175.3322 188 W 4.9192 9.3517 131.5763 57.1061 33.7841 175.6346 189 R 3.9188 8.5430 125.2606 56.4273 28.8979 176.1832 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 3 T 8.17 4.29 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 4 R 7.78 4.45 0.00 1.80 1.75 0.00 3.26 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.68 0.00 5 P 0.00 4.20 0.00 1.85 1.97 0.00 3.74 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 1.97 2.05 0.00 6 R 7.70 4.31 0.00 1.58 1.69 0.00 3.25 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.46 0.00 7 F 8.40 4.92 0.00 3.11 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 8 L 8.32 4.76 0.00 1.67 1.44 0.97 1.34 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 9 W 9.15 5.83 0.00 3.40 3.12 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 10 Q 9.01 4.67 0.00 2.24 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.72 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 11 P 0.00 4.05 0.00 1.62 1.39 0.00 3.65 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 12 K 8.82 4.19 0.00 1.82 1.66 0.00 1.31 0.00 0.00 1.49 0.00 0.00 2.61 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.21 1.21 7.81 13 R 8.54 4.41 0.00 1.71 2.01 0.00 2.96 0.00 0.00 3.08 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 14 E 7.94 4.49 0.00 1.80 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 2.20 2.20 0.00 15 C 8.71 4.52 0.00 2.57 2.49 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 16 H 8.74 4.65 0.00 3.32 3.27 0.00 5.60 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.52 5.39 0.00 3.08 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 18 F 8.75 4.66 0.00 3.09 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 9.84 4.24 0.00 2.93 2.83 0.00 0.00 7.10 8.09 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 20 G 7.61 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 21 T 8.08 4.32 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 0.57 0.00 0.00 22 E 7.80 4.02 0.00 1.89 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 0.00 2.33 2.33 0.00 23 R 7.68 4.48 0.00 1.91 1.74 0.00 3.27 0.00 0.00 3.17 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 24 V 8.28 4.69 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 0.79 0.00 0.00 1.19 0.00 0.00 25 R 8.50 4.89 0.00 1.99 1.95 0.00 3.39 0.00 0.00 3.25 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.48 0.00 26 F 8.98 4.75 0.00 3.13 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 27 L 5.62 4.77 0.00 1.63 1.35 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.62 4.36 0.00 2.77 2.60 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 29 R 8.76 4.93 0.00 1.98 1.77 0.00 3.14 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.57 0.00 30 Y 8.74 4.61 0.00 3.12 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 31 F 8.13 5.90 0.00 2.97 3.22 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 32 Y 9.28 5.03 0.00 3.41 3.12 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 33 N 9.28 4.27 0.00 2.73 2.78 0.00 0.00 7.02 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 34 Q 8.59 4.32 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 35 E 8.37 4.90 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 2.30 2.31 0.00 36 E 8.96 3.87 0.00 1.94 1.80 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 2.11 1.74 0.00 37 S 9.04 5.05 0.00 4.06 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 0.00 38 V 7.77 5.12 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 1.14 0.00 0.00 1.40 0.00 0.00 39 R 9.15 5.19 0.00 2.00 2.09 0.00 2.78 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 40 F 9.34 4.53 0.00 2.43 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 5.29 0.00 2.71 2.39 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 42 S 8.98 4.74 0.00 4.20 4.57 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 43 D 9.07 4.70 0.00 2.73 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 44 V 7.64 3.91 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 0.90 0.00 0.00 0.86 0.00 0.00 45 G 7.90 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 46 E 6.59 4.63 0.00 2.07 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 2.11 2.10 0.00 47 F 8.63 4.50 0.00 3.31 3.35 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.63 1.65 0.00 56 P 0.00 4.06 0.00 2.05 2.21 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 57 D 7.66 3.37 0.00 2.27 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 0.00 0.00 0.00 0.00 58 A 8.38 3.99 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 59 E 8.46 3.79 0.00 1.98 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 0.00 2.28 2.35 0.00 60 Y 7.73 4.36 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.40 4.04 0.00 2.67 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 N 7.85 4.65 0.00 3.07 2.93 0.00 0.00 7.08 6.89 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 63 S 7.69 4.52 0.00 4.10 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 0.00 64 Q 7.29 4.42 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.83 0.00 0.00 0.00 0.00 0.00 1.91 1.99 0.00 65 K 8.90 3.94 0.00 1.84 1.82 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.56 7.81 66 D 8.27 4.67 0.00 2.79 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 67 I 7.58 3.69 1.90 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.40 0.63 0.00 0.00 68 L 7.31 4.87 0.00 1.84 1.99 1.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 69 E 9.17 4.06 0.00 2.04 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 2.34 2.47 0.00 70 Q 8.41 4.03 0.00 2.14 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.45 0.00 0.00 0.00 0.00 0.00 2.11 2.25 0.00 71 A 7.81 3.33 0.62 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 72 R 7.86 4.12 0.00 1.92 2.04 0.00 3.21 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 1.96 2.13 0.00 73 A 7.67 4.16 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 74 A 7.51 3.54 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.37 3.58 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 0.91 0.00 0.00 1.07 0.00 0.00 76 D 8.71 4.81 0.00 2.69 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 77 T 8.05 4.55 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 78 Y 7.71 4.67 0.00 2.84 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 79 C 8.08 4.35 0.00 3.13 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.18 3.95 0.00 2.08 2.06 0.00 3.39 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 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4.77 0.00 2.91 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 90 T 7.33 4.38 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 0.94 0.00 0.00 91 V 7.57 3.46 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 0.79 0.00 0.00 0.27 0.00 0.00 92 Q 7.73 4.42 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 93 R 7.78 3.98 0.00 1.91 2.02 0.00 2.65 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.43 0.00 94 R 8.36 5.04 0.00 1.76 1.88 0.00 3.24 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 95 V 9.60 4.54 2.38 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 1.14 0.00 0.00 1.02 0.00 0.00 96 Q 8.77 5.06 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 97 P 0.00 4.62 0.00 1.80 1.71 0.00 3.61 0.00 0.00 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3.30 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 0.00 132 F 9.71 5.16 0.00 2.99 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.86 4.37 0.00 1.68 1.49 0.41 0.54 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 0.00 134 N 9.40 4.14 0.00 2.76 2.77 0.00 0.00 7.08 8.19 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 0.00 135 G 8.18 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 0.00 136 Q 7.74 4.60 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 137 E 8.39 3.49 0.00 1.16 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 2.09 2.10 0.00 138 E 8.76 4.40 0.00 2.02 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 2.38 2.40 0.00 139 K 8.58 4.25 0.00 1.64 1.78 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.47 7.81 140 A 7.89 4.63 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 G 8.80 4.74 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 0.00 0.00 0.00 142 M 7.96 5.22 0.00 2.03 2.04 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 2.56 2.55 0.00 143 V 9.11 4.33 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 0.96 0.00 0.00 0.93 0.00 0.00 144 S 8.87 5.11 0.00 3.95 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 0.00 145 T 8.25 4.47 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 1.32 0.00 0.00 146 G 8.07 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 0.00 147 L 8.14 4.38 0.00 1.73 1.76 1.08 0.67 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 0.00 148 I 8.27 4.54 2.13 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 1.24 0.76 0.87 0.00 0.00 149 Q 8.63 3.78 0.00 1.67 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.81 0.00 0.00 0.00 0.00 0.00 1.67 2.18 0.00 150 N 7.84 4.65 0.00 2.69 2.73 0.00 0.00 7.01 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 0.00 151 G 8.12 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 0.00 152 D 7.57 4.90 0.00 2.79 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 W 8.46 3.37 0.00 3.30 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 0.00 154 T 7.23 4.73 4.38 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 1.41 0.00 0.00 155 F 9.52 5.33 0.00 1.96 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 0.00 156 Q 8.15 4.94 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 157 T 9.21 4.75 4.52 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 1.41 0.00 0.00 158 L 9.08 5.29 0.00 1.59 1.52 0.99 1.09 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 0.00 159 V 8.93 4.78 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 1.22 0.00 0.00 0.93 0.00 0.00 160 M 9.59 5.32 0.00 1.91 1.92 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 2.52 2.44 0.00 161 L 9.24 4.86 0.00 0.27 0.16 0.62 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 162 E 8.59 4.74 0.00 2.07 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 2.17 2.40 0.00 163 T 8.07 4.76 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 1.18 0.00 0.00 164 V 7.96 4.10 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 0.83 0.00 0.00 0.97 0.00 0.00 165 P 0.00 4.66 0.00 2.39 2.42 0.00 3.78 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 2.08 0.00 166 R 8.95 4.31 0.00 1.94 1.99 0.00 3.12 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 167 S 8.30 4.07 0.00 3.86 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 0.00 168 G 8.82 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 0.00 0.00 0.00 0.00 169 E 7.35 3.94 0.00 2.19 1.79 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 2.33 2.38 0.00 170 V 7.99 4.43 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.96 0.00 0.00 171 Y 8.91 5.22 0.00 3.55 3.35 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 0.00 172 T 9.28 5.29 4.34 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 1.18 0.00 0.00 173 C 9.31 4.51 0.00 2.14 2.59 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 0.00 174 Q 9.37 5.01 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.52 0.00 0.00 0.00 0.00 0.00 2.17 2.10 0.00 175 V 9.20 4.59 1.94 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 0.72 0.00 0.00 0.74 0.00 0.00 176 E 9.16 4.88 0.00 1.84 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 2.22 2.20 0.00 177 H 8.61 4.89 0.00 2.97 2.98 0.00 5.71 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 3.62 0.00 1.91 2.08 0.00 3.07 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.00 0.00 179 S 8.34 4.37 0.00 4.14 4.38 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 0.00 180 V 8.31 4.76 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 0.78 0.00 0.00 0.99 0.00 0.00 181 T 8.86 3.99 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 1.21 0.00 0.00 182 S 7.45 4.63 0.00 3.91 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 0.00 183 P 0.00 4.15 0.00 2.14 2.04 0.00 3.72 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 1.94 2.02 0.00 184 L 8.78 4.72 0.00 1.50 1.55 0.89 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 185 T 8.10 5.69 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 1.04 0.00 0.00 186 V 8.36 4.52 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 0.72 0.00 0.00 0.89 0.00 0.00 187 E 8.87 5.21 0.00 1.91 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 2.28 2.31 0.00 188 W 9.35 4.92 0.00 3.43 3.34 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 0.00 189 R 8.54 3.92 0.00 1.57 1.58 0.00 2.21 0.00 0.00 2.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 * Residues marked with a * may have inaccurate shift predictions.