NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 5.0611 8.0600 119.4835 56.3795 33.1999 175.0087 3 F 2.6276 7.6665 120.5703 56.5530 39.2966 172.6387 4 K 4.1263 7.3923 128.6555 57.2632 34.3752 175.0827 5 A 4.1422 6.0053 118.0610 51.0272 22.5962 174.3549 6 E 4.7686 8.7645 120.7486 55.3532 30.0344 176.0847 7 L 4.3012 9.1006 127.6334 56.2036 42.3573 176.4954 *9 N 4.4878 7.9934 115.2991 51.9603 38.4991 174.1440 10 A 4.2053 8.8460 121.0792 55.2001 18.6184 177.3522 11 P 4.4272 0.0000 0.0000 65.9811 31.6655 179.6435 12 E 4.0849 8.7621 115.1877 57.0121 28.9636 178.8898 *14 R 4.4113 8.1499 120.9303 56.5579 32.0685 177.3643 15 R 3.8707 8.2167 117.1505 59.4359 29.9129 178.3346 16 A 4.0349 8.0882 120.4327 55.3334 18.3775 179.6213 17 L 4.0746 8.1275 116.9589 58.1329 41.6137 179.3565 18 Y 3.8245 8.3066 116.9284 60.8819 37.8382 178.1859 19 R 3.9421 8.1465 119.6783 59.4325 30.1595 178.3494 20 I 3.5575 8.1836 119.7213 64.4522 37.1592 177.7302 21 A 3.8977 8.1333 121.4207 55.8500 18.1872 179.1925 22 H 4.0886 8.4073 114.0792 59.3136 28.8591 177.6652 23 E 4.1722 8.6443 120.3802 59.7037 29.1920 179.8051 24 I 2.8191 7.5167 119.7855 64.0202 37.1267 178.6067 25 V 3.5147 7.5900 118.9208 66.1244 31.3667 177.6785 26 E 3.9712 8.7064 118.4180 59.5038 29.0651 179.3819 27 A 4.1199 7.8456 119.6728 55.0195 18.6087 178.3538 28 N 4.6974 8.1379 112.3853 52.6939 39.0469 174.6361 29 K 3.8565 8.2236 116.0873 55.6264 30.7334 175.9426 30 G 3.7669 6.5830 105.9663 45.3699 0.0000 173.6369 31 T 4.2774 8.0699 115.4871 62.9625 69.5850 173.9798 32 E 3.9989 8.2681 122.8663 57.7090 29.8822 176.1291 33 G 3.9778 8.8189 112.7400 46.2092 0.0000 171.7773 34 L 4.8652 7.7010 120.5159 54.3925 43.0310 175.9377 35 A 4.6103 8.6906 125.3316 50.8249 22.9694 175.0215 36 L 5.2347 8.7988 120.2699 52.9760 45.4742 175.9644 37 V 5.0252 8.9913 121.7409 61.2697 34.6565 174.4902 38 G 4.3772 9.1485 116.4017 45.4285 0.0000 172.4780 39 I 5.4606 8.1621 116.1829 57.8342 41.9099 174.0065 40 H 4.4738 9.6379 117.4382 56.3562 28.0337 174.0861 41 T 3.6713 7.4204 113.0422 64.8938 67.1223 173.6478 42 R 4.3081 7.9004 122.9591 58.0080 30.7077 178.6361 43 G 3.9012 7.8712 107.8378 46.9136 0.0000 175.6673 44 I 3.6529 7.6301 121.8120 64.0938 37.2170 176.4921 45 P 4.3156 0.0000 0.0000 65.8047 31.1555 178.7338 46 L 3.9894 7.7546 117.3816 57.4171 41.3986 179.4776 47 A 3.8731 8.1071 121.0662 55.4893 18.3650 179.1160 48 H 4.0256 7.9807 114.6716 59.3140 28.7189 178.2065 49 R 3.4268 7.8550 119.4205 59.1417 29.8539 179.1943 50 I 3.4120 7.5845 119.4121 64.0909 36.9890 178.4320 51 A 3.8060 8.0515 122.1073 54.8885 18.2930 179.4789 52 R 3.6960 7.9010 117.6465 59.7856 29.6436 178.8195 53 F 4.3864 7.7148 117.6860 60.3918 38.7580 177.8172 54 I 2.3983 7.5342 119.2359 63.9966 36.8654 178.3523 55 A 4.2370 7.7269 122.7764 54.5100 17.8796 179.2731 56 E 3.9984 7.7646 117.2242 58.2721 29.7418 177.3478 57 F 5.0308 6.9432 109.8943 56.0663 38.7548 174.8625 58 E 4.4217 8.4244 121.6694 55.6493 30.8743 175.7915 59 G 4.2979 7.5967 115.0971 45.0562 0.0000 173.8201 60 K 4.0578 7.5601 117.3468 55.8697 33.6381 175.5856 61 E 4.4356 8.3355 120.7380 54.8367 30.9852 175.0783 62 V 4.2652 7.8254 124.8127 60.4489 33.2350 173.6593 63 P 4.4108 0.0000 0.0000 62.5645 32.7126 175.3836 64 V 4.6865 8.4437 122.8203 61.3087 33.5875 175.2520 65 G 4.2008 9.9905 116.9137 45.1775 0.0000 171.8735 66 V 4.8339 8.8405 119.6033 60.7614 34.6800 174.8869 67 L 4.7076 8.7052 128.8245 53.7254 41.9844 174.8224 68 D 4.9225 8.8597 122.6221 53.5708 39.4975 173.6821 69 I 4.8071 7.8137 122.4932 59.2444 41.0772 173.8225 70 T 4.8561 9.5022 124.6099 62.2103 73.4490 172.4575 71 L 4.7816 8.4116 124.3475 52.2638 43.4016 175.6082 *83 P 4.2209 0.0000 0.0000 62.4428 32.1820 175.3900 84 Q 4.6384 9.3187 121.6635 54.0130 32.6715 174.1831 85 V 5.4965 7.9006 120.9270 60.5764 34.3462 175.5543 86 R 4.1241 8.7470 126.3301 58.9423 30.7914 176.5245 87 E 4.6902 7.5915 115.4380 55.4815 33.1294 174.2944 88 T 4.9607 8.6598 123.2026 61.8882 71.4288 173.8199 89 R 4.3275 9.2821 125.6339 54.7974 33.8583 174.0676 90 I 4.2435 7.9662 125.5633 57.6775 38.5070 175.5038 91 P 4.5823 0.0000 0.0000 61.7136 30.6662 175.9893 92 F 4.7667 7.3355 112.6956 55.9830 40.7469 172.6745 93 D 4.6873 8.6825 120.9077 53.0523 41.5080 176.1832 94 L 4.3322 8.5778 127.3351 57.6329 42.0994 177.7022 95 T 4.1214 7.9085 115.6949 65.0217 68.6213 175.1705 96 G 3.9898 9.0195 113.6455 45.9963 0.0000 173.9418 97 K 4.4468 7.6938 118.8491 55.9369 34.2751 176.1824 98 A 5.0525 9.0467 124.4823 51.0735 20.1348 175.9938 99 I 4.9159 8.8392 123.5669 60.6173 39.7215 175.3955 100 V 4.9364 8.8884 127.4918 61.0612 33.6707 174.5159 101 L 4.7368 9.0970 129.7998 54.5817 43.0863 176.2411 102 V 4.8990 9.1753 124.2206 61.1903 33.8681 173.7917 103 D 5.3267 9.2392 127.5910 52.5210 44.4909 176.0162 104 D 4.4570 8.9273 124.1577 55.9902 40.8802 176.2667 105 V 4.8831 7.6349 117.6992 60.6139 34.7418 174.0757 106 L 4.4145 9.0549 130.8201 55.2832 42.0842 174.5265 107 Y 4.6608 8.9280 126.1735 58.0995 38.9726 177.5545 108 T 4.3089 8.2151 114.2723 62.3599 69.9326 176.7843 109 G 3.9904 7.7619 110.8805 45.6340 0.0000 175.5901 110 R 3.9060 7.7411 118.9747 59.3146 29.9551 179.0635 111 T 3.8272 7.8061 114.9993 66.4343 68.5330 176.4086 112 A 3.9888 7.9305 122.1899 55.2305 18.3883 179.3781 113 R 3.7995 8.3227 117.2746 59.6139 30.1442 178.4974 114 A 3.9655 8.2270 120.3474 55.1138 18.2597 179.5295 115 A 3.9372 8.0577 119.2848 55.1517 18.5000 179.5451 116 L 3.8727 8.2374 119.3569 58.2007 41.8902 178.6644 117 D 4.2445 8.2196 117.0695 57.3083 41.6117 177.6949 118 A 4.1320 7.9426 121.1107 55.2020 18.4038 179.2774 119 L 3.9035 8.0536 117.4590 58.4010 41.6882 179.9832 120 I 4.2181 7.6294 120.4659 63.6881 36.8004 177.5761 121 D 4.4625 7.7564 117.1317 55.4612 40.9172 177.2322 122 L 4.6998 8.2700 118.5174 53.2744 43.0263 175.7127 123 G 3.9101 6.3800 105.4057 46.6382 0.0000 172.4195 124 R 4.8738 7.5470 117.5947 53.0438 30.6408 174.0340 125 P 4.8053 0.0000 0.0000 62.3744 31.8468 176.2959 126 R 4.0851 8.9267 123.7985 59.6324 30.6168 176.4412 127 R 4.5666 7.6005 116.2461 55.3945 33.8064 173.8745 128 I 5.0648 7.8924 122.8072 60.1010 40.3750 174.6168 129 Y 4.8430 9.5423 125.2450 56.5286 41.1218 174.5727 130 L 5.1876 9.4854 122.6548 53.4513 45.0340 174.8018 131 A 5.4761 9.5276 128.6938 50.3649 21.8004 175.3312 132 V 5.5674 8.9678 115.1236 58.5802 35.9471 176.4051 133 L 4.0710 8.9215 126.9471 57.9430 42.9814 176.9265 134 V 5.0391 8.3910 111.4986 59.5002 36.2715 174.0324 135 D 5.2054 8.8698 124.4435 52.4144 42.9772 175.6550 136 R 5.3146 8.0668 122.6964 55.1448 30.3331 178.5426 137 G 3.8377 8.7512 110.2152 46.7061 0.0000 172.5832 138 H 4.0424 8.5051 110.0976 56.8291 25.2363 175.4612 139 R 4.4316 7.9505 116.7503 56.7692 30.6652 176.9626 140 E 4.6768 8.9341 118.2775 55.8320 31.4574 175.6992 141 L 4.8210 7.2523 118.0010 52.6010 45.7910 174.7286 142 P 4.7620 0.0000 0.0000 62.9605 30.9551 176.8081 143 I 4.3493 7.5859 118.8047 60.6215 38.4147 175.7348 144 R 4.6159 7.9890 120.0798 54.8902 34.0581 174.4250 145 A 4.5230 8.2552 123.1616 51.4140 20.0659 177.5448 146 D 4.3500 8.6624 122.8520 56.2610 41.7526 177.2061 147 F 5.1042 7.8023 116.4567 55.5303 42.6505 174.4913 148 V 4.8340 8.5690 122.6383 61.2587 33.7008 175.3017 149 G 3.8683 9.3882 116.5504 48.9157 0.0000 173.7164 150 K 4.7667 8.3604 121.9612 54.6506 36.2477 173.9905 151 N 5.1132 8.7832 124.4271 52.2673 40.0240 174.6949 152 V 4.2674 8.6316 124.3855 60.1743 33.7456 172.7008 153 P 4.7877 0.0000 0.0000 62.8180 31.7016 176.1020 154 T 4.8893 8.5256 113.6738 59.8298 72.2969 172.7039 155 S 4.9192 8.5858 115.4332 56.1349 65.2953 175.2555 156 R 3.8368 8.7649 120.9705 59.6126 29.6294 178.4607 157 S 4.3060 7.6780 112.1283 60.4755 63.5294 174.1470 158 E 4.6946 7.7020 120.2211 56.3665 30.3359 176.5462 159 V 4.3832 8.8234 120.4396 61.3330 35.4725 173.8632 160 V 4.8407 8.3072 126.5650 61.1666 33.4107 174.5988 161 K 4.5615 9.1902 127.6881 54.6336 34.5448 175.0797 162 V 4.7426 8.4596 125.1849 61.1515 33.1897 174.7314 163 K 5.0232 9.6259 127.9821 54.9191 34.9946 175.6913 164 V 4.8280 9.3541 116.7826 58.9839 35.6809 175.9479 165 E 4.1248 9.8379 124.8746 60.2580 29.1993 179.8775 166 E 3.9489 8.2003 117.6171 59.0018 29.5718 178.7130 167 V 4.2558 7.7395 115.5232 63.2094 33.3495 176.0396 168 D 4.8751 9.1229 117.1225 53.1600 41.5349 177.8425 169 G 3.9983 9.5625 108.0031 45.3644 0.0000 173.0794 170 E 4.9312 7.3912 118.2512 55.6136 33.1937 174.3555 171 D 5.0083 8.6578 126.5034 53.8474 41.5602 175.6492 172 R 4.6075 8.8369 122.7560 55.2852 34.5584 173.5749 173 V 4.8309 8.4369 124.2290 61.3403 34.1375 173.8526 174 E 5.2819 9.5716 127.9086 54.5776 32.8751 174.6124 175 L 5.0876 8.7698 125.2760 53.3266 44.3496 175.3393 176 W 5.1837 9.3708 125.2553 55.3220 33.6966 173.5862 177 E 4.9665 9.4436 120.4939 55.2984 33.1289 175.1124 178 R 4.2535 7.9809 123.3956 56.4710 30.2700 175.4692 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 2 R 8.06 5.06 0.00 2.16 2.90 0.00 4.00 0.00 0.00 3.43 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.66 0.00 3 F 7.67 2.63 0.00 1.62 2.41 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 4 K 7.39 4.13 0.00 1.49 1.56 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.15 1.19 7.81 5 A 6.01 4.14 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.76 4.77 0.00 2.18 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 2.30 2.42 0.00 7 L 9.10 4.30 0.00 1.68 1.72 0.94 0.99 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 *9 N 7.99 4.49 0.00 2.87 3.15 0.00 0.00 6.00 7.26 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 10 A 8.85 4.21 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 11 P 0.00 4.43 0.00 2.30 2.11 0.00 3.90 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 12 E 8.76 4.08 0.00 2.18 1.99 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 2.35 2.60 0.00 *14 R 8.15 4.41 0.00 1.98 2.16 0.00 3.25 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.81 0.00 15 R 8.22 3.87 0.00 2.07 2.12 0.00 3.15 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 16 A 8.09 4.03 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.13 4.07 0.00 2.20 2.00 1.04 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.31 3.82 0.00 3.26 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 19 R 8.15 3.94 0.00 1.96 2.13 0.00 3.15 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 20 I 8.18 3.56 2.06 0.00 0.00 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 1.75 0.78 0.82 0.00 0.00 21 A 8.13 3.90 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.41 4.09 0.00 3.27 3.40 0.00 5.65 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 23 E 8.64 4.17 0.00 1.87 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 2.62 0.00 24 I 7.52 2.82 1.72 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 -0.04 0.62 0.00 0.00 25 V 7.59 3.51 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 1.22 0.00 0.00 1.02 0.00 0.00 26 E 8.71 3.97 0.00 2.17 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 0.00 2.34 2.52 0.00 27 A 7.85 4.12 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.14 4.70 0.00 2.70 2.97 0.00 0.00 7.42 7.47 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 29 K 8.22 3.86 0.00 1.92 1.87 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.44 1.55 7.81 30 G 6.58 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 0.00 0.00 0.00 31 T 8.07 4.28 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 32 E 8.27 4.00 0.00 1.92 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 2.28 0.00 33 G 8.82 3.98 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 0.00 34 L 7.70 4.87 0.00 1.81 1.62 0.96 0.67 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 35 A 8.69 4.61 0.68 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 36 L 8.80 5.23 0.00 1.55 1.54 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.99 5.03 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 0.82 0.00 0.00 1.09 0.00 0.00 38 G 9.15 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 0.00 0.00 0.00 39 I 8.16 5.46 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 1.36 1.85 0.94 0.00 0.00 40 H 9.64 4.47 0.00 3.22 3.46 0.00 5.69 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 41 T 7.42 3.67 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 1.18 0.00 0.00 42 R 7.90 4.31 0.00 1.85 1.97 0.00 3.10 0.00 0.00 3.37 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 43 G 7.87 3.90 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 0.00 0.00 0.00 44 I 7.63 3.65 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.76 0.93 0.00 0.00 45 P 0.00 4.32 0.00 2.16 2.11 0.00 3.74 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 46 L 7.75 3.99 0.00 1.83 1.72 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.11 3.87 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 48 H 7.98 4.03 0.00 3.32 3.27 0.00 5.63 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 49 R 7.86 3.43 0.00 1.73 1.28 0.00 3.11 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.82 0.00 50 I 7.58 3.41 1.89 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 1.40 1.02 0.79 0.00 0.00 51 A 8.05 3.81 1.26 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 0.00 0.00 52 R 7.90 3.70 0.00 1.74 1.62 0.00 3.23 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 53 F 7.71 4.39 0.00 2.67 2.25 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 54 I 7.53 2.40 1.72 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 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1.58 0.94 1.06 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 *83 P 0.00 4.22 0.00 2.06 2.06 0.00 3.61 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.07 0.00 84 Q 9.32 4.64 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 85 V 7.90 5.50 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 1.05 0.00 0.00 0.93 0.00 0.00 86 R 8.75 4.12 0.00 1.84 1.96 0.00 3.29 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 87 E 7.59 4.69 0.00 1.99 1.72 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 2.22 2.28 0.00 88 T 8.66 4.96 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 1.16 0.00 0.00 89 R 9.28 4.33 0.00 1.63 1.77 0.00 3.05 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 90 I 7.97 4.24 1.57 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 1.13 0.68 -0.05 0.00 0.00 91 P 0.00 4.58 0.00 2.19 2.11 0.00 3.67 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 2.08 2.06 0.00 92 F 7.34 4.77 0.00 3.06 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.68 4.69 0.00 2.72 2.70 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 94 L 8.58 4.33 0.00 1.79 1.77 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.91 4.12 4.40 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 1.23 0.00 0.00 96 G 9.02 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 97 K 7.69 4.45 0.00 1.97 1.90 0.00 1.79 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.69 7.81 98 A 9.05 5.05 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 99 I 8.84 4.92 1.97 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.09 1.03 0.00 0.00 100 V 8.89 4.94 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 1.16 0.00 0.00 0.98 0.00 0.00 101 L 9.10 4.74 0.00 1.84 1.63 0.95 0.78 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 0.00 102 V 9.18 4.90 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 0.99 0.00 0.00 1.00 0.00 0.00 103 D 9.24 5.33 0.00 2.81 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.93 4.46 0.00 2.80 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 0.00 105 V 7.63 4.88 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 0.85 0.00 0.00 0.96 0.00 0.00 106 L 9.05 4.41 0.00 1.84 1.58 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.93 4.66 0.00 2.99 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.22 4.31 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 0.47 0.00 0.00 109 G 7.76 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 0.00 110 R 7.74 3.91 0.00 1.82 1.95 0.00 3.04 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 111 T 7.81 3.83 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 112 A 7.93 3.99 1.32 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 0.00 0.00 0.00 113 R 8.32 3.80 0.00 1.92 2.08 0.00 3.25 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 114 A 8.23 3.97 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 0.00 115 A 8.06 3.94 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 0.00 116 L 8.24 3.87 0.00 1.89 1.88 0.92 0.99 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 0.00 117 D 8.22 4.24 0.00 2.91 2.67 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 0.00 118 A 7.94 4.13 1.38 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 0.00 0.00 119 L 8.05 3.90 0.00 1.88 1.76 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 120 I 7.63 4.22 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.91 0.00 0.00 121 D 7.76 4.46 0.00 2.82 2.70 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 0.00 122 L 8.27 4.70 0.00 1.67 1.65 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 123 G 6.38 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 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0.00 0.00 0.00 132 V 8.97 5.57 2.14 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 0.91 0.00 0.00 1.00 0.00 0.00 133 L 8.92 4.07 0.00 1.82 1.97 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 134 V 8.39 5.04 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 0.77 0.00 0.00 0.95 0.00 0.00 135 D 8.87 5.21 0.00 2.83 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 0.00 136 R 8.07 5.31 0.00 1.83 1.95 0.00 2.87 0.00 0.00 2.25 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.41 0.00 137 G 8.75 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 0.00 138 H 8.51 4.04 0.00 3.73 3.56 0.00 5.63 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 7.95 4.43 0.00 1.80 2.05 0.00 3.44 0.00 0.00 3.41 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 140 E 8.93 4.68 0.00 1.92 1.85 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 2.17 2.15 0.00 141 L 7.25 4.82 0.00 1.62 1.47 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 142 P 0.00 4.76 0.00 2.02 2.05 0.00 3.65 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 2.01 2.09 0.00 143 I 7.59 4.35 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.93 0.91 0.00 0.00 144 R 7.99 4.62 0.00 1.72 1.75 0.00 3.36 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 145 A 8.26 4.52 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 0.00 146 D 8.66 4.35 0.00 1.89 1.85 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 0.00 147 F 7.80 5.10 0.00 3.00 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 0.00 148 V 8.57 4.83 2.14 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 0.87 0.00 0.00 0.97 0.00 0.00 149 G 9.39 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 0.00 0.00 0.00 150 K 8.36 4.77 0.00 1.85 1.63 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.45 7.81 151 N 8.78 5.11 0.00 2.66 2.75 0.00 0.00 6.71 7.68 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 0.00 152 V 8.63 4.27 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 0.98 0.00 0.00 0.95 0.00 0.00 153 P 0.00 4.79 0.00 1.98 1.99 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 154 T 8.53 4.89 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 155 S 8.59 4.92 0.00 4.03 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 0.00 156 R 8.76 3.84 0.00 1.83 2.07 0.00 3.22 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 157 S 7.68 4.31 0.00 4.16 4.13 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 0.00 158 E 7.70 4.69 0.00 1.99 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 2.34 2.32 0.00 159 V 8.82 4.38 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 0.80 0.00 0.00 0.92 0.00 0.00 160 V 8.31 4.84 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 0.89 0.00 0.00 0.88 0.00 0.00 161 K 9.19 4.56 0.00 1.80 1.67 0.00 0.61 0.00 0.00 1.13 0.00 0.00 2.27 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.02 7.81 162 V 8.46 4.74 2.25 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 0.84 0.00 0.00 0.97 0.00 0.00 163 K 9.63 5.02 0.00 1.88 1.85 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.45 7.81 164 V 9.35 4.83 2.25 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 0.84 0.00 0.00 0.94 0.00 0.00 165 E 9.84 4.12 0.00 1.95 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 0.00 2.38 2.58 0.00 166 E 8.20 3.95 0.00 1.92 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 2.32 2.45 0.00 167 V 7.74 4.26 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 0.91 0.00 0.00 0.93 0.00 0.00 168 D 9.12 4.88 0.00 2.60 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 G 9.56 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 0.00 170 E 7.39 4.93 0.00 1.83 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 2.27 2.16 0.00 171 D 8.66 5.01 0.00 2.64 2.67 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 0.00 172 R 8.84 4.61 0.00 1.88 1.78 0.00 3.50 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 173 V 8.44 4.83 2.14 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 1.00 0.00 0.00 0.99 0.00 0.00 174 E 9.57 5.28 0.00 2.47 2.27 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 2.60 2.48 0.00 175 L 8.77 5.09 0.00 1.63 1.41 0.96 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 0.00 176 W 9.37 5.18 0.00 3.18 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 0.00 177 E 9.44 4.97 0.00 1.96 1.72 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 2.22 2.27 0.00 178 R 7.98 4.25 0.00 1.75 1.77 0.00 3.55 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 * Residues marked with a * may have inaccurate shift predictions.