NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 54 G 3.9655 8.3549 109.7369 45.6001 0.0000 173.2721 55 L 4.2627 7.4827 111.9216 54.5739 42.5638 176.5721 56 G 3.9260 7.7518 107.7801 43.7356 0.0000 172.1579 57 P 4.3774 0.0000 0.0000 62.5618 31.6543 176.3475 58 L 4.2436 8.1666 119.9661 55.0362 42.6799 177.9737 59 Q 4.4783 8.3261 121.8645 54.8749 27.4371 173.4921 60 I 4.9812 7.8033 121.4540 59.0749 41.1480 174.7460 61 W 5.4922 8.8480 126.0458 55.1426 32.7245 174.7466 62 Q 5.1906 8.9784 120.6381 54.6173 31.1161 174.8830 63 T 5.2194 8.5381 120.4621 62.1836 71.9058 172.6938 64 D 4.9187 8.7018 122.6127 53.8367 45.5121 173.5527 65 F 5.5553 8.9569 119.0994 56.1157 42.1171 175.1324 66 T 4.9734 9.3340 115.4275 60.6792 71.0446 172.4186 67 L 3.9685 8.3531 129.8456 54.2247 43.6345 176.0396 68 E 4.3778 8.8227 126.5250 54.1315 31.0441 173.8993 69 P 4.2945 0.0000 0.0000 64.7096 31.9090 178.9816 70 R 4.0282 8.5350 117.3825 58.3294 30.1392 177.6368 71 M 4.3416 7.7251 115.9741 54.6484 32.2159 176.1435 72 A 4.2036 7.2765 121.8637 51.4605 18.8946 176.8781 73 P 4.3673 0.0000 0.0000 64.5410 32.2629 177.4211 74 R 4.6185 7.5783 120.3794 55.2317 28.8810 176.1508 75 S 4.4132 7.5776 113.4690 59.6908 65.3753 175.4597 76 W 4.8244 8.2966 122.4802 56.1729 30.1559 175.1311 77 L 5.2403 9.2768 125.6702 53.0066 43.8693 175.4187 78 A 4.1380 8.6787 126.4833 50.4738 20.3971 175.9287 79 V 4.7556 8.5923 123.2046 61.4945 34.7421 174.4674 80 T 5.1309 8.9044 123.9178 61.6851 72.1462 172.8531 81 V 4.5666 8.4418 125.9157 60.9930 34.2588 173.9032 82 D 5.0264 8.9357 129.2142 53.7588 41.3535 176.8140 83 T 4.1700 9.0234 117.5133 63.7963 68.7176 175.8931 84 A 4.1990 8.6606 126.0516 54.3216 18.5474 178.2258 85 S 4.5645 7.9564 106.3932 57.1779 64.4303 174.9099 86 S 3.8135 8.7425 115.9336 58.7736 61.1849 171.1799 87 A 4.3152 7.5199 122.9784 52.3173 19.2853 176.9658 88 I 4.9582 8.7019 120.8550 59.4289 40.5010 175.4837 89 V 4.3888 8.6351 125.0839 61.0989 34.5737 174.3432 90 V 5.1112 8.4505 126.7601 61.4091 34.6265 174.2917 91 T 4.8186 8.6497 115.4939 60.2465 72.6436 172.4247 92 Q 5.2988 8.4747 120.5212 54.9310 31.5535 174.7542 93 H 4.9288 9.4845 118.2984 54.6175 33.2384 174.9460 94 G 3.7733 8.9285 109.6493 47.5468 0.0000 174.1716 95 R 4.5547 7.5332 117.4345 54.3535 33.2220 174.5971 96 V 2.9866 7.5161 117.3954 60.4355 31.6414 175.9668 97 T 4.4337 7.3085 114.6737 59.1826 73.3023 174.6252 98 S 4.0099 8.2179 115.7876 61.5151 62.7751 176.9635 99 V 3.3242 7.5440 120.2922 65.8787 31.3426 177.6583 100 A 3.9711 7.7761 120.2262 55.0216 18.0687 179.5404 101 A 3.4883 7.2835 118.0867 55.2730 18.3174 179.9600 102 Q 2.8777 7.3636 116.4848 58.9111 28.4829 178.6004 103 H 4.2609 8.1760 117.6655 59.0470 28.7015 177.1523 104 H 4.0733 8.1063 119.9778 59.3555 29.6307 177.4012 105 W 4.4568 8.0024 120.2351 59.4664 28.8677 178.4087 106 A 4.2878 8.5340 121.4067 55.5569 17.8538 179.8655 107 T 3.8208 7.8759 113.8980 66.8051 68.4766 176.7271 108 A 3.8698 8.1219 122.7257 55.1545 18.2939 179.7399 109 I 4.3642 8.7286 119.7040 64.2326 37.0168 178.5035 110 A 4.2352 7.7837 119.9288 54.9513 18.1689 179.4958 111 V 3.8129 7.5732 115.8831 65.3070 31.9973 177.4282 112 L 4.6268 8.9178 116.2253 53.4932 42.3621 176.9799 113 G 4.0099 8.6499 105.9681 44.6254 0.0000 172.3537 114 R 3.9914 8.0706 118.9906 54.7877 30.5970 174.3523 115 P 4.3249 0.0000 0.0000 61.5608 33.0584 175.6976 116 K 4.1956 8.7667 117.2485 58.6537 33.2860 177.3053 117 A 5.0348 7.4030 119.0214 50.5430 23.0521 175.1369 118 I 4.7828 8.9692 120.4859 59.2344 41.0189 174.5238 119 K 5.0532 9.3028 128.3756 55.0052 34.3169 175.0426 120 T 4.8155 8.4601 116.4557 60.0415 72.9184 172.4580 121 D 5.2166 8.3730 120.3492 52.8380 41.7672 176.3608 122 N 4.9488 8.7362 119.1898 53.4684 38.7244 175.3997 123 G 3.9256 9.4391 108.9427 45.9553 0.0000 175.4942 124 S 4.6110 8.0890 115.7305 57.3687 61.4571 175.6181 *126 F 5.1000 7.7768 117.9662 58.1165 41.3235 176.4447 127 T 4.6388 7.6080 109.0027 61.0781 69.5724 174.5563 128 S 4.4938 7.7842 118.0842 58.2127 65.0876 174.8901 129 K 3.9757 8.6072 122.1020 59.6930 31.7812 179.2986 130 S 4.1597 8.0982 112.7833 62.0526 62.4142 176.3461 131 T 4.1640 7.9449 117.7297 66.5966 68.1041 176.9476 132 R 4.0555 8.2575 120.1974 59.4337 30.0918 178.7421 133 E 3.9905 8.7675 119.4753 58.8649 29.4156 178.5668 134 W 4.1634 8.5287 128.6218 60.5591 30.8279 178.0432 135 L 4.1398 8.5774 118.7966 57.6794 41.1093 179.2456 136 A 3.9712 8.3509 121.0038 55.1135 18.0958 179.4240 137 R 3.6852 7.8891 116.2640 59.4927 30.1729 178.3197 138 W 3.9312 7.5241 116.2795 57.0867 29.1542 177.3729 139 G 3.8243 7.8626 106.7267 45.5384 0.0000 172.6768 140 I 4.2920 7.3735 119.9745 59.2088 38.3577 175.9456 141 A 4.3211 8.5423 129.0350 52.3497 19.7554 175.6062 142 H 5.7180 8.3269 117.7361 55.1731 33.4082 172.5600 143 T 4.6299 8.2358 117.7616 60.7083 70.8799 173.7908 144 T 5.2062 8.0830 116.2017 60.5637 70.1496 176.3021 145 G 3.9427 7.8807 108.9387 46.2545 0.0000 173.4724 146 I 4.3320 8.0201 122.8607 58.2115 39.1901 172.0259 147 P 4.1543 0.0000 0.0000 64.7027 30.7123 176.1030 148 G 3.6578 8.2978 114.3020 48.6718 0.0000 173.3598 149 N 3.9485 7.6160 118.0432 56.3517 39.1409 174.2563 150 S 4.6875 7.8188 119.1850 56.4328 62.3031 171.4964 151 Q 4.8199 7.2793 124.8580 55.8950 31.0224 176.8813 152 G 3.9760 9.2332 113.1063 47.5489 0.0000 174.1622 153 Q 4.6105 7.8294 113.5294 54.5655 31.7738 176.5570 154 A 3.9992 8.1345 122.5687 55.4722 18.2640 180.0898 155 M 4.0189 8.0139 116.9106 58.5733 32.1633 179.2187 156 V 3.4350 8.0409 119.2663 64.8555 31.3443 178.3037 157 E 3.9894 8.4938 119.4322 59.0174 29.3267 179.2549 158 R 3.8479 8.3779 118.8718 59.5019 30.1585 178.2480 159 A 4.0289 8.7432 121.4612 55.3876 18.1960 179.3990 160 N 4.2690 8.2437 114.8637 56.3745 38.7458 177.6268 161 R 3.8550 7.7670 119.9625 59.4777 30.2466 178.3496 162 L 3.9853 7.9363 118.7681 57.7601 41.6581 179.2013 163 L 3.9361 8.1120 120.2026 58.4006 42.1790 179.3859 164 K 4.0637 8.2832 117.9876 59.0323 31.8241 178.7097 165 D 4.4065 7.8982 118.1278 56.6361 41.1559 178.2183 166 K 3.9169 8.2767 120.4670 59.2468 32.1469 178.8620 167 I 3.6881 7.8366 120.1702 64.3685 37.0715 178.2837 168 R 3.8795 7.8109 118.9121 59.7560 29.9874 179.0552 169 V 3.6688 8.4188 112.5150 64.2855 31.1007 178.6226 170 L 4.0775 8.4469 119.1597 57.3071 41.4769 179.3496 171 A 4.1605 8.5077 121.2923 55.4459 18.3818 179.5894 172 E 4.1712 8.4718 117.2750 59.4541 29.2275 179.7892 173 G 3.6398 7.8416 105.1813 47.5915 0.0000 174.4517 174 D 4.5444 7.3366 117.8410 53.7751 40.9262 177.2424 175 G 3.5965 7.9082 107.9150 45.2510 0.0000 173.6438 176 F 4.8704 7.6064 118.4299 56.2239 39.1299 175.4889 177 M 4.5992 8.6207 124.6374 55.4176 33.5196 176.3170 178 K 4.6845 7.1973 119.2542 56.0233 32.4937 179.1810 179 R 4.1497 8.7422 127.9552 57.1712 30.4059 174.3062 180 I 3.8602 8.4643 127.1821 59.6186 38.4560 174.1433 181 P 4.0647 0.0000 0.0000 63.2370 31.8685 177.5238 182 T 3.8075 8.7748 120.3001 66.7284 68.6089 176.4972 183 S 4.2835 7.8958 114.4281 60.2786 63.6116 175.5129 184 K 4.3085 7.9755 119.7234 57.0851 32.0489 178.6345 185 Q 4.0074 7.6120 118.1405 58.8527 28.6069 178.5689 186 G 3.9059 8.0960 106.0279 48.2793 0.0000 175.3273 187 E 3.9965 8.1091 121.1249 58.6349 29.5255 179.1605 188 L 4.0012 7.8998 120.6451 57.8747 42.1627 178.7359 189 L 3.9362 8.7844 121.1985 58.0486 42.0678 178.6211 190 A 3.9887 8.3143 121.1232 55.1298 18.1908 179.4700 191 K 3.9470 8.2695 117.7469 59.7070 32.2972 178.8159 192 A 3.9881 8.0934 121.0008 55.4050 18.1473 179.3134 193 M 3.9464 8.0852 116.7242 58.7567 32.2753 177.8221 194 Y 4.0355 8.1991 119.4774 60.7165 38.7994 177.8575 195 A 3.4070 7.9321 120.4974 54.9471 18.5692 179.1446 196 L 4.1634 7.6628 115.3467 56.4911 41.9049 178.1209 197 N 4.7239 7.3521 115.3554 52.5144 39.8606 174.6204 198 H 4.5486 7.0302 117.0087 53.6624 31.1340 173.7784 199 F 4.4717 8.2801 122.0692 57.7263 39.8249 174.6008 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 54 G 8.35 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.48 4.26 0.00 1.73 1.69 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.75 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 57 P 0.00 4.38 0.00 2.21 2.09 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 58 L 8.17 4.24 0.00 1.66 1.63 0.92 0.92 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 59 Q 8.33 4.48 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 60 I 7.80 4.98 1.91 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 1.31 0.74 0.96 0.00 0.00 61 W 8.85 5.49 0.00 3.24 2.86 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 62 Q 8.98 5.19 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 63 T 8.54 5.22 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 1.03 0.00 0.00 64 D 8.70 4.92 0.00 2.84 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.96 5.56 0.00 2.73 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 66 T 9.33 4.97 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 67 L 8.35 3.97 0.00 0.39 1.07 -0.37 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.82 4.38 0.00 1.97 1.83 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 2.17 2.28 0.00 69 P 0.00 4.29 0.00 2.14 1.99 0.00 3.55 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 2.00 1.93 0.00 70 R 8.54 4.03 0.00 1.92 1.95 0.00 3.10 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.67 0.00 71 M 7.73 4.34 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 72 A 7.28 4.20 1.23 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 0.00 0.00 0.00 73 P 0.00 4.37 0.00 2.19 2.17 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 74 R 7.58 4.62 0.00 1.81 1.95 0.00 3.20 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 75 S 7.58 4.41 0.00 3.66 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 76 W 8.30 4.82 0.00 3.63 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 77 L 9.28 5.24 0.00 1.65 1.60 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.68 4.14 0.38 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 79 V 8.59 4.76 2.16 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 0.94 0.00 0.00 0.96 0.00 0.00 80 T 8.90 5.13 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 0.58 0.00 0.00 81 V 8.44 4.57 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 0.92 0.00 0.00 0.90 0.00 0.00 82 D 8.94 5.03 0.00 2.52 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 83 T 9.02 4.17 4.28 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 1.36 0.00 0.00 84 A 8.66 4.20 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 85 S 7.96 4.56 0.00 3.95 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 86 S 8.74 3.81 0.00 4.03 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 87 A 7.52 4.32 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.70 4.96 1.92 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 1.07 0.84 0.86 0.00 0.00 89 V 8.64 4.39 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.74 0.00 0.00 90 V 8.45 5.11 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 0.93 0.00 0.00 0.91 0.00 0.00 91 T 8.65 4.82 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 1.21 0.00 0.00 92 Q 8.47 5.30 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.79 0.00 0.00 0.00 0.00 0.00 2.60 2.35 0.00 93 H 9.48 4.93 0.00 3.21 3.19 0.00 5.61 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 94 G 8.93 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 95 R 7.53 4.55 0.00 1.70 1.65 0.00 3.24 0.00 0.00 3.02 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 96 V 7.52 2.99 0.94 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 -1.59 0.00 0.00 -0.04 0.00 0.00 97 T 7.31 4.43 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 1.04 0.00 0.00 98 S 8.22 4.01 0.00 3.81 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.54 3.32 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 0.86 0.00 0.00 0.87 0.00 0.00 100 A 7.78 3.97 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 0.00 101 A 7.28 3.49 0.94 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 0.00 0.00 102 Q 7.36 2.88 0.00 1.78 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 1.46 2.11 0.00 103 H 8.18 4.26 0.00 3.15 3.39 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.11 4.07 0.00 3.01 3.07 0.00 5.78 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 0.00 105 W 8.00 4.46 0.00 3.27 3.21 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 0.00 106 A 8.53 4.29 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 0.00 0.00 0.00 0.00 0.00 107 T 7.88 3.82 4.36 0.00 0.00 0.00 0.00 0.00 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 0.00 108 A 8.12 3.87 1.11 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 0.00 109 I 8.73 4.36 1.90 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.50 0.55 0.00 0.00 110 A 7.78 4.24 1.44 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 0.00 0.00 0.00 111 V 7.57 3.81 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.96 0.00 0.00 112 L 8.92 4.63 0.00 1.83 1.82 0.13 0.90 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 0.00 113 G 8.65 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 0.00 114 R 8.07 3.99 0.00 1.79 1.80 0.00 3.32 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.73 0.00 115 P 0.00 4.32 0.00 1.46 0.49 0.00 3.12 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.44 0.00 116 K 8.77 4.20 0.00 1.55 1.79 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.48 7.81 117 A 7.40 5.03 1.10 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 0.00 0.00 118 I 8.97 4.78 1.49 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.39 0.96 0.00 0.00 119 K 9.30 5.05 0.00 1.84 1.76 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.35 7.81 120 T 8.46 4.82 3.40 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 0.71 0.00 0.00 121 D 8.37 5.22 0.00 2.88 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.74 4.95 0.00 2.77 2.92 0.00 0.00 6.70 7.65 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 0.00 123 G 9.44 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 0.00 124 S 8.09 4.61 0.00 3.95 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 *126 F 7.78 5.10 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 0.00 127 T 7.61 4.64 4.33 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 1.37 0.00 0.00 128 S 7.78 4.49 0.00 4.08 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.61 3.98 0.00 1.82 1.95 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.48 7.81 130 S 8.10 4.16 0.00 3.93 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 0.00 131 T 7.94 4.16 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 132 R 8.26 4.06 0.00 2.08 2.06 0.00 3.20 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.95 0.00 133 E 8.77 3.99 0.00 2.12 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 2.37 2.45 0.00 134 W 8.53 4.16 0.00 3.74 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.58 4.14 0.00 2.01 1.90 0.79 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.35 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 0.00 137 R 7.89 3.69 0.00 1.78 1.94 0.00 2.80 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.43 0.00 138 W 7.52 3.93 0.00 2.89 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 0.00 139 G 7.86 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.37 4.29 1.69 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.55 0.52 0.00 0.00 141 A 8.54 4.32 1.25 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 0.00 142 H 8.33 5.72 0.00 3.01 3.11 0.00 5.54 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.24 4.63 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 1.23 0.00 0.00 144 T 8.08 5.21 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 145 G 7.88 3.94 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 0.00 0.00 0.00 146 I 8.02 4.33 1.88 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 1.47 1.02 0.92 0.00 0.00 147 P 0.00 4.15 0.00 2.18 2.15 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 148 G 8.30 3.66 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 0.00 0.00 0.00 149 N 7.62 3.95 0.00 2.73 2.85 0.00 0.00 7.24 8.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 S 7.82 4.69 0.00 3.96 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 0.00 151 Q 7.28 4.82 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.34 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 152 G 9.23 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 0.00 153 Q 7.83 4.61 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 154 A 8.13 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 M 8.01 4.02 0.00 2.08 2.14 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 2.70 2.61 0.00 156 V 8.04 3.43 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 0.91 0.00 0.00 0.94 0.00 0.00 157 E 8.49 3.99 0.00 2.02 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 2.62 2.49 0.00 158 R 8.38 3.85 0.00 1.86 2.13 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 159 A 8.74 4.03 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 0.00 160 N 8.24 4.27 0.00 2.95 2.91 0.00 0.00 6.60 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 R 7.77 3.85 0.00 1.84 2.15 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 162 L 7.94 3.99 0.00 1.92 1.73 0.94 0.32 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 0.00 163 L 8.11 3.94 0.00 1.84 1.91 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 164 K 8.28 4.06 0.00 2.02 1.84 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.63 7.81 165 D 7.90 4.41 0.00 2.82 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 0.00 166 K 8.28 3.92 0.00 2.02 1.94 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.53 7.81 167 I 7.84 3.69 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.61 0.92 0.00 0.00 168 R 7.81 3.88 0.00 2.02 2.12 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 169 V 8.42 3.67 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 0.79 0.00 0.00 1.01 0.00 0.00 170 L 8.45 4.08 0.00 1.76 1.75 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 171 A 8.51 4.16 1.44 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 0.00 0.00 0.00 172 E 8.47 4.17 0.00 2.07 2.01 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 2.35 2.58 0.00 173 G 7.84 3.64 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 0.00 0.00 0.00 174 D 7.34 4.54 0.00 2.17 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 0.00 0.00 0.00 175 G 7.91 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 F 7.61 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 0.00 177 M 8.62 4.60 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 178 K 7.20 4.68 0.00 1.69 0.83 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.34 7.81 179 R 8.74 4.15 0.00 1.78 1.76 0.00 3.39 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 180 I 8.46 3.86 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.64 0.51 0.00 0.00 181 P 0.00 4.06 0.00 1.74 1.82 0.00 2.26 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.85 0.00 182 T 8.77 3.81 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 1.18 0.00 0.00 183 S 7.90 4.28 0.00 3.96 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 K 7.98 4.31 0.00 1.68 1.89 0.00 1.87 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.28 1.36 7.81 185 Q 7.61 4.01 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 186 G 8.10 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 E 8.11 4.00 0.00 2.04 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 2.39 2.36 0.00 188 L 7.90 4.00 0.00 1.94 1.68 1.12 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 189 L 8.78 3.94 0.00 1.83 1.78 0.92 0.10 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 0.00 190 A 8.31 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 K 8.27 3.95 0.00 2.05 1.99 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.52 7.81 192 A 8.09 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 M 8.09 3.95 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 194 Y 8.20 4.04 0.00 3.07 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 0.00 195 A 7.93 3.41 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 0.00 196 L 7.66 4.16 0.00 1.59 1.73 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 197 N 7.35 4.72 0.00 2.60 2.69 0.00 0.00 6.75 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 0.00 198 H 7.03 4.55 0.00 2.93 2.98 0.00 5.60 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 F 8.28 4.47 0.00 2.98 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 * Residues marked with a * may have inaccurate shift predictions.