NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.4052 0.0000 0.0000 61.8267 33.5752 177.2612 4 P 4.2919 0.0000 0.0000 61.2654 32.7428 175.6749 5 K 4.2375 8.2824 120.9468 55.9448 32.6825 177.8693 *7 N 4.4807 8.7093 114.5714 52.3022 39.7461 172.9474 8 P 4.3060 0.0000 0.0000 65.6798 31.1254 178.8392 9 V 3.6639 8.0935 116.4764 65.3201 31.5934 177.4057 10 V 4.1378 7.6163 110.0638 60.9626 31.8122 176.9937 11 E 3.9160 7.8718 120.9884 59.0566 29.1842 176.9137 12 P 4.5366 0.0000 0.0000 64.4889 31.2971 176.6701 13 L 4.2602 8.0741 118.4527 54.0546 42.2148 178.5615 14 S 3.8590 8.1611 116.5653 60.7979 63.1136 175.9720 15 W 4.5512 7.1223 119.9861 55.8256 26.8646 176.2668 *17 L 4.2064 7.7879 117.3122 54.7683 42.5963 177.5841 18 G 3.9335 7.5928 110.0881 44.5205 0.0000 170.8699 19 T 5.1388 8.1210 117.0807 61.6485 70.5105 174.4828 20 W 5.4715 9.6440 125.8298 54.7511 33.5896 174.0493 21 L 5.4977 9.1187 124.6818 52.8772 44.8112 175.7160 22 S 4.4893 9.1111 121.6044 59.2793 63.3525 173.7525 23 D 4.5372 8.8111 125.2901 52.4369 43.6160 173.2155 24 P 4.5233 0.0000 0.0000 61.2497 32.5607 173.8468 25 P 4.2483 0.0000 0.0000 62.6691 31.8989 177.1117 26 G 2.9076 8.2976 109.3841 46.1252 0.0000 172.0474 27 A 5.0681 8.8012 123.5622 49.7363 21.4804 175.7771 28 G 3.2503 8.3608 110.6916 44.3689 0.0000 172.3717 29 T 5.0722 8.3585 112.4380 60.9430 72.8685 171.8314 30 Y 4.8664 8.2427 119.7885 56.5270 41.2515 172.7809 31 P 4.1865 0.0000 0.0000 65.1630 31.4574 177.3797 32 T 4.4366 7.8666 105.7570 61.3747 69.5351 174.3134 33 L 4.9540 7.7519 122.0379 52.7827 44.9059 176.4500 34 Q 4.2612 8.5683 120.5894 55.1578 29.4098 174.6299 35 P 4.7851 0.0000 0.0000 63.0797 32.3018 175.3420 36 F 5.1542 8.7221 116.6325 55.7310 41.9245 173.0184 37 Q 5.3519 8.8345 117.4499 54.6374 32.1342 174.4200 38 Y 5.0520 8.3461 117.3200 56.1335 41.8444 173.7792 39 L 4.9548 9.0523 120.8406 53.9162 44.2901 175.3683 40 E 5.4747 9.3320 121.9992 55.0414 33.7506 173.4822 41 E 5.2635 9.8707 126.6014 54.7663 32.2936 174.9064 42 V 4.9932 9.1218 124.9144 61.3463 34.5614 173.5381 43 H 5.5104 9.7754 128.1675 54.6946 32.4036 172.1770 44 I 5.2049 9.0762 127.9505 59.6320 40.0937 175.2778 45 S 5.1822 9.0893 121.2427 57.8221 67.0249 172.0266 46 H 5.0911 8.3199 113.6908 54.4682 31.2152 173.4195 47 V 4.3260 8.4081 110.4966 61.1689 32.6181 177.2093 48 G 4.0082 8.9198 109.3880 45.3555 0.0000 174.5613 49 Q 4.2944 7.5470 118.0210 54.5798 30.1919 174.6361 50 P 4.4580 0.0000 0.0000 61.9365 30.2028 175.6150 *52 L 4.3616 7.3041 120.0788 55.4430 44.1994 176.9056 53 N 5.2962 9.1422 119.0501 51.4706 41.4315 173.9267 54 F 5.4287 8.0061 116.9140 55.2289 42.0434 173.8022 55 S 4.8527 9.0622 115.7277 56.9388 67.0089 172.8546 56 F 5.7004 9.3106 123.8058 55.9828 41.6980 174.1169 57 N 5.2263 9.5104 121.6648 51.5928 41.4480 174.1486 58 S 5.4514 8.7652 120.2312 57.2101 65.6039 173.6276 59 F 5.1641 9.3330 119.5559 55.8954 43.9997 173.6749 60 H 4.5461 9.4731 122.3007 55.9638 30.1194 174.9170 61 P 4.4043 0.0000 0.0000 65.3322 31.7302 177.3981 62 D 4.6682 8.2658 117.0654 56.7480 41.4154 177.8763 63 T 4.0725 8.1301 106.4758 62.1525 69.3847 175.4475 64 R 4.1379 8.2607 119.2195 56.6124 28.4209 175.9032 65 K 4.3007 7.8326 120.1186 55.7750 33.1024 174.9441 66 P 4.5335 0.0000 0.0000 63.0554 32.3592 175.0560 *68 H 4.6909 8.5278 120.1143 56.4563 31.4275 172.1310 69 R 5.2759 8.1598 121.7786 54.7974 34.7095 173.6845 70 E 5.2559 9.2585 119.7561 55.7182 33.7052 173.4091 71 C 4.2103 8.0388 113.7652 56.9686 33.2122 174.0376 72 G 3.5942 5.3800 106.0788 45.6641 0.0000 171.7508 73 F 5.1394 7.2593 118.4459 55.8540 43.9931 174.0645 74 I 4.9675 8.8047 122.2082 59.9964 39.5570 175.2549 75 R 4.8185 9.2784 126.5153 54.5002 33.2597 175.3513 76 L 5.2697 8.1242 119.0644 52.7728 46.2212 176.1640 77 K 4.2017 8.6802 123.7044 55.3181 33.2285 174.7556 78 P 4.4035 0.0000 0.0000 64.4907 31.6960 175.7143 79 D 4.4717 8.9890 120.3853 55.0391 38.3092 172.8928 80 T 4.7068 7.7762 109.0134 60.0456 71.6938 173.0795 81 N 4.9695 8.4984 115.2688 52.7069 38.9145 173.9745 82 K 4.8492 8.2528 120.3145 56.1769 33.6642 176.0396 83 V 5.0474 8.8856 124.3378 61.0106 35.1959 173.9971 84 A 5.3444 9.2638 127.6674 50.1422 22.6217 174.5934 85 F 5.4044 9.8303 123.9332 56.4751 42.7122 174.1665 86 V 5.0425 8.6674 118.8774 59.6874 35.2600 174.6428 87 S 4.9712 8.9461 117.8997 56.5704 66.3964 172.1707 88 A 5.2236 8.8289 128.3171 50.3114 21.3858 175.4981 89 Q 5.2187 9.0043 120.9750 53.8150 32.3436 176.5634 90 N 4.4864 8.8778 119.1448 54.5256 37.6072 176.2189 91 T 3.9656 7.6720 108.7692 62.8412 69.4006 174.6273 92 G 3.6977 8.5077 111.3846 46.3008 0.0000 172.7604 93 V 4.8092 7.6685 117.8199 60.6959 34.9103 174.4502 94 V 5.1676 8.7308 120.0525 59.7952 35.5178 174.3495 95 E 5.1837 8.9920 119.5812 55.1742 33.6136 173.9359 96 V 4.9347 8.8915 121.0719 61.2966 34.5156 174.0714 97 E 5.2170 9.5951 127.1971 54.7310 33.0922 174.8748 98 E 5.1594 9.4059 121.6854 54.1160 34.3775 175.6918 99 G 4.3815 8.2854 109.6111 46.1285 0.0000 172.2125 100 E 5.3175 8.4130 121.0083 55.1700 33.4598 174.6866 101 V 5.0785 8.4546 120.9304 60.2673 33.8203 174.9755 102 N 4.8219 8.9535 121.5702 51.1171 41.9569 174.2914 103 G 3.7752 9.0382 114.0929 47.3400 0.0000 174.4807 104 Q 3.4337 8.0567 118.3512 54.7850 29.0726 173.8781 105 E 4.9433 7.9902 119.2190 54.3339 33.3478 173.7337 106 L 5.2688 9.6922 129.4660 53.6244 44.9002 174.6032 107 C 5.4769 9.1044 123.7192 58.0080 31.3198 173.1453 108 I 5.2174 8.8946 116.6947 59.1480 41.3274 174.1732 109 A 5.1502 8.9379 124.2604 49.9845 22.6756 175.8832 110 S 4.7892 9.2413 117.4552 58.9404 63.3017 173.8526 111 H 5.0209 8.9438 116.6784 55.6327 30.5253 174.1416 112 S 4.7922 7.8231 115.1768 57.0852 67.1416 172.9948 113 I 5.1725 8.4272 123.8049 59.7331 40.9191 174.2297 114 A 4.9636 9.0989 127.1059 50.5260 23.1034 174.6094 115 R 5.1333 8.1450 114.3021 54.6050 32.9363 174.7997 116 I 3.9746 8.3729 113.8438 60.4683 38.3470 177.5171 117 S 4.1961 8.6824 118.2905 60.5533 63.0849 174.8725 118 F 4.9163 7.2677 114.6200 56.0638 38.0483 175.4103 119 A 3.9859 7.4482 123.9061 52.4922 18.6553 178.4581 120 K 4.0762 8.4606 123.1799 56.4783 32.8500 176.7274 121 E 4.2642 8.4430 125.3149 54.8416 30.5850 174.6280 122 P 4.3801 0.0000 0.0000 62.7027 32.3725 176.1349 123 H 4.7594 8.3614 118.8874 55.4163 30.0398 175.1492 124 V 4.1229 8.4272 122.6866 62.0518 31.6116 175.5267 125 E 4.6644 9.4027 122.6937 57.2875 31.8702 176.5606 126 Q 4.6980 7.9129 115.9757 54.3834 33.1847 174.5652 127 I 4.9159 9.0670 123.3499 59.8971 41.5021 174.5868 128 T 5.0695 9.0849 121.7868 61.9076 72.5850 173.2259 129 R 4.9819 8.8829 122.9482 54.1892 34.8028 174.1302 130 K 4.9343 8.6784 122.9305 54.7028 35.3462 174.6951 131 F 5.5208 9.5197 126.5338 55.9146 42.0546 174.7672 132 R 4.8297 9.1691 118.0092 54.8955 33.2565 173.3847 133 L 5.0274 7.6161 123.6091 53.7276 43.2517 176.3459 134 N 4.7294 9.0580 125.2147 51.4416 38.8425 175.9807 135 S 4.1759 8.4800 112.0797 60.6516 62.9462 174.6985 136 E 4.2964 8.4137 119.4004 56.2323 29.5954 176.8335 137 G 4.0522 8.4745 107.5786 45.1734 0.0000 173.4546 138 K 4.9423 7.9936 118.6498 54.9933 34.4132 175.4013 139 L 4.7305 8.6154 125.7006 54.3993 43.6246 175.1297 140 E 5.0752 9.4910 125.0883 54.5193 33.0542 174.6203 141 Q 4.6767 8.9013 124.8301 54.4245 32.4428 173.9770 142 T 5.0014 8.6002 122.5052 61.6525 72.1536 172.9364 143 V 4.6639 8.7691 126.2073 61.2411 34.4583 174.6162 144 S 5.4076 9.2173 122.6938 55.5125 67.3206 172.4383 *146 A 4.5160 8.2789 120.8869 52.5470 19.9713 176.4968 147 T 4.8729 8.6214 111.3797 59.6197 71.6381 174.9934 148 T 4.0185 8.1740 117.6804 66.5496 68.3199 175.3368 149 T 4.5388 7.7139 107.3977 61.0141 69.6623 173.5390 150 Q 4.4222 7.8963 123.9814 54.1184 31.9403 173.6403 151 P 4.0236 0.0000 0.0000 65.6547 31.5359 176.4754 *153 T 4.0847 7.4882 110.9391 61.2008 68.1551 172.3203 154 Q 4.3965 8.4365 124.9732 56.1194 29.9040 174.8211 155 H 5.7655 9.4725 124.0156 56.3782 32.7070 173.7822 156 L 5.2763 7.6657 116.1004 53.2598 46.3845 175.2090 157 H 5.3092 9.1877 122.0089 54.6506 33.4887 172.3913 158 V 4.4943 8.3553 124.2966 60.2138 35.0972 173.5792 159 T 4.7721 7.9901 112.1894 60.0484 72.0015 172.1667 160 Y 5.3157 9.2087 121.5499 56.2084 41.8290 174.3686 161 K 4.9175 9.1747 125.2639 55.0109 33.9620 175.6048 162 K 3.8752 8.9311 129.4142 56.7827 31.9463 176.5157 163 V 4.2314 8.6018 120.6705 62.2016 33.9043 176.3195 164 T 4.0898 7.2241 121.4487 63.7322 69.5227 173.4106 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 P 0.00 4.41 0.00 2.05 2.17 0.00 3.62 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 1.91 2.10 0.00 4 P 0.00 4.29 0.00 2.15 2.00 0.00 3.62 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 1.98 2.11 0.00 5 K 8.28 4.24 0.00 1.73 1.15 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.45 7.81 *7 N 8.71 4.48 0.00 2.98 2.76 0.00 0.00 6.91 7.71 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 8 P 0.00 4.31 0.00 2.20 2.10 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 2.12 2.15 0.00 9 V 8.09 3.66 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 0.84 0.00 0.00 0.94 0.00 0.00 10 V 7.62 4.14 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 0.71 0.00 0.00 0.93 0.00 0.00 11 E 7.87 3.92 0.00 2.11 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 2.35 2.55 0.00 12 P 0.00 4.54 0.00 2.15 2.19 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 13 L 8.07 4.26 0.00 1.58 1.18 0.81 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.16 3.86 0.00 4.03 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 15 W 7.12 4.55 0.00 3.50 3.28 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 *17 L 7.79 4.21 0.00 1.90 1.74 0.94 1.03 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 18 G 7.59 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 0.00 0.00 0.00 19 T 8.12 5.14 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 1.25 0.00 0.00 20 W 9.64 5.47 0.00 2.93 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 L 9.12 5.50 0.00 1.83 1.59 1.08 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.11 4.49 0.00 3.81 3.87 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 23 D 8.81 4.54 0.00 2.68 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 24 P 0.00 4.52 0.00 2.14 2.03 0.00 3.74 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 1.88 1.92 0.00 25 P 0.00 4.25 0.00 1.84 2.05 0.00 3.62 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 1.99 2.08 0.00 26 G 8.30 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 0.00 0.00 0.00 27 A 8.80 5.07 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.36 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 0.00 0.00 0.00 29 T 8.36 5.07 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 1.13 0.00 0.00 30 Y 8.24 4.87 0.00 3.04 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 31 P 0.00 4.19 0.00 1.85 1.97 0.00 2.26 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.83 0.00 32 T 7.87 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 1.26 0.00 0.00 33 L 7.75 4.95 0.00 1.84 1.78 1.15 0.84 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 34 Q 8.57 4.26 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.98 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 35 P 0.00 4.79 0.00 1.95 1.96 0.00 3.68 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 2.04 2.10 0.00 36 F 8.72 5.15 0.00 3.04 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 37 Q 8.83 5.35 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 38 Y 8.35 5.05 0.00 3.23 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 39 L 9.05 4.95 0.00 1.88 1.77 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 40 E 9.33 5.47 0.00 2.45 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 0.00 2.50 2.61 0.00 41 E 9.87 5.26 0.00 2.22 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 2.37 2.49 0.00 42 V 9.12 4.99 1.71 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 0.78 0.00 0.00 0.47 0.00 0.00 43 H 9.78 5.51 0.00 3.29 3.22 0.00 5.59 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 9.08 5.20 2.04 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 1.45 0.81 0.89 0.00 0.00 45 S 9.09 5.18 0.00 3.76 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 46 H 8.32 5.09 0.00 3.11 3.28 0.00 5.66 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.41 4.33 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 0.74 0.00 0.00 0.95 0.00 0.00 48 G 8.92 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 0.00 0.00 0.00 49 Q 7.55 4.29 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.60 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 50 P 0.00 4.46 0.00 2.17 2.09 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 *52 L 7.30 4.36 0.00 1.67 1.67 0.76 0.59 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 53 N 9.14 5.30 0.00 2.51 2.51 0.00 0.00 6.68 8.11 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 54 F 8.01 5.43 0.00 2.76 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 55 S 9.06 4.85 0.00 3.81 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 56 F 9.31 5.70 0.00 3.09 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 9.51 5.23 0.00 2.77 2.50 0.00 0.00 6.46 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 58 S 8.77 5.45 0.00 3.74 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 59 F 9.33 5.16 0.00 3.08 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 60 H 9.47 4.55 0.00 3.27 3.35 0.00 5.59 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 61 P 0.00 4.40 0.00 2.10 2.13 0.00 3.34 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 2.04 2.25 0.00 62 D 8.27 4.67 0.00 2.85 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.13 4.07 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 1.13 0.00 0.00 64 R 8.26 4.14 0.00 2.04 2.05 0.00 3.10 0.00 0.00 3.05 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 65 K 7.83 4.30 0.00 1.90 1.74 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.47 7.81 66 P 0.00 4.53 0.00 1.96 1.89 0.00 3.85 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.31 0.00 *68 H 8.53 4.69 0.00 3.12 3.12 0.00 5.63 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 69 R 8.16 5.28 0.00 1.65 1.74 0.00 3.08 0.00 0.00 3.32 7.19 0.00 0.00 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1.43 7.81 78 P 0.00 4.40 0.00 2.08 2.00 0.00 3.87 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 79 D 8.99 4.47 0.00 2.84 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.78 4.71 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 81 N 8.50 4.97 0.00 3.04 3.09 0.00 0.00 5.92 7.14 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 82 K 8.25 4.85 0.00 1.74 1.81 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.55 7.81 83 V 8.89 5.05 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 1.09 0.00 0.00 1.05 0.00 0.00 84 A 9.26 5.34 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 85 F 9.83 5.40 0.00 3.02 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 86 V 8.67 5.04 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 0.79 0.00 0.00 1.01 0.00 0.00 87 S 8.95 4.97 0.00 3.98 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 88 A 8.83 5.22 1.14 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 89 Q 9.00 5.22 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 90 N 8.88 4.49 0.00 2.77 2.86 0.00 0.00 6.96 7.99 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 91 T 7.67 3.97 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 1.22 0.00 0.00 92 G 8.51 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 93 V 7.67 4.81 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.90 0.00 0.00 94 V 8.73 5.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 3.10 3.46 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 S 7.82 4.79 0.00 3.78 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 I 8.43 5.17 1.89 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 1.31 0.62 0.92 0.00 0.00 114 A 9.10 4.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.15 5.13 0.00 1.66 1.79 0.00 2.70 0.00 0.00 2.93 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.49 0.00 116 I 8.37 3.97 1.32 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.12 0.74 0.00 0.00 117 S 8.68 4.20 0.00 4.07 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 0.00 118 F 7.27 4.92 0.00 3.16 3.11 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 0.00 119 A 7.45 3.99 1.24 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 136 E 8.41 4.30 0.00 2.13 2.06 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 2.30 2.25 0.00 137 G 8.47 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 0.00 138 K 7.99 4.94 0.00 1.91 1.98 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.53 7.81 139 L 8.62 4.73 0.00 0.32 0.70 0.92 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 140 E 9.49 5.08 0.00 1.85 1.73 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 2.13 2.19 0.00 141 Q 8.90 4.68 0.00 1.97 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 1.73 1.16 0.00 142 T 8.60 5.00 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 1.16 0.00 0.00 143 V 8.77 4.66 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 0.90 0.00 0.00 0.80 0.00 0.00 144 S 9.22 5.41 0.00 3.74 3.86 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 0.00 0.00 0.00 *146 A 8.28 4.52 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 0.00 147 T 8.62 4.87 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 1.22 0.00 0.00 148 T 8.17 4.02 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 1.23 0.00 0.00 149 T 7.71 4.54 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 150 Q 7.90 4.42 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.86 0.00 0.00 0.00 0.00 0.00 1.58 2.08 0.00 151 P 0.00 4.02 0.00 2.06 2.08 0.00 3.70 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 *153 T 7.49 4.08 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 0.93 0.00 0.00 154 Q 8.44 4.40 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.62 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 155 H 9.47 5.77 0.00 3.15 3.21 0.00 5.82 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 L 7.67 5.28 0.00 1.53 1.50 0.82 0.64 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 0.00 157 H 9.19 5.31 0.00 3.12 3.01 0.00 5.76 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 0.00 158 V 8.36 4.49 1.66 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 0.46 0.00 0.00 0.20 0.00 0.00 159 T 7.99 4.77 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 1.06 0.00 0.00 160 Y 9.21 5.32 0.00 2.92 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 0.00 161 K 9.17 4.92 0.00 1.98 1.80 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.48 7.81 162 K 8.93 3.88 0.00 0.90 1.38 0.00 1.48 0.00 0.00 1.33 0.00 0.00 2.63 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.89 0.21 7.81 163 V 8.60 4.23 2.06 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 0.81 0.00 0.00 0.96 0.00 0.00 164 T 7.22 4.09 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 1.17 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.