NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.3553 8.0433 120.7569 54.4029 43.6259 178.9630 6 V 3.5238 7.5497 113.0279 63.6111 31.1917 175.1482 7 E 3.9231 8.2473 117.4567 59.2494 29.8574 178.2139 8 R 4.1812 7.4456 116.1246 57.3757 30.4414 176.9573 9 E 4.2459 7.9928 116.4348 55.4380 30.1625 174.8422 10 Q 3.0101 7.3187 119.8121 55.9117 28.2412 173.1114 *12 R 4.3505 8.1946 116.7139 56.4181 31.6399 174.5401 13 Y 4.6595 8.7783 121.3138 55.3253 40.6562 173.6620 14 P 4.8935 0.0000 0.0000 63.1176 32.2848 176.3561 15 V 4.6736 8.1316 120.4441 60.3382 34.6257 174.0859 16 D 4.9059 8.9469 122.9823 52.9363 43.3562 175.4407 17 V 4.9650 7.9530 121.0809 61.3333 34.2846 173.6760 18 Y 5.3751 9.2930 125.1174 56.4891 41.6439 174.6891 19 T 4.9074 8.8726 112.4699 59.0516 72.9933 175.1139 20 G 3.9303 9.1158 116.1503 46.6279 0.0000 174.7850 *34 A 4.1617 8.3646 126.7155 51.1446 20.3932 177.4433 35 K 4.4266 7.7704 115.8078 55.0595 34.1973 176.6584 36 I 4.8392 8.1814 121.5574 59.2306 40.8757 174.9488 37 Q 4.1288 8.9747 126.9384 56.2727 29.6335 175.2164 38 V 4.3680 8.1949 125.9974 61.4799 32.8838 174.9601 39 D 4.8437 8.7225 125.8161 55.1212 43.4842 178.6201 40 G 3.9270 7.7995 109.7138 44.9590 0.0000 171.1469 41 E 4.9906 8.7108 120.4479 53.6214 31.9400 175.1627 42 L 5.0093 8.4008 122.4862 54.8331 43.1712 179.0232 *44 L 4.2870 8.7689 124.8490 55.1323 43.2237 174.7215 45 T 4.5819 8.3908 117.2350 59.6860 70.9292 175.2918 46 E 4.0003 8.6552 121.4159 58.7641 29.6342 177.0508 47 L 4.4117 7.9147 116.1746 54.0022 42.2007 174.9250 48 G 3.8326 7.4338 105.6822 43.6440 0.0000 173.3035 49 L 4.4869 8.4918 119.1989 53.7775 42.4907 176.6381 50 E 4.1693 8.6007 120.9235 57.8770 30.0651 176.0935 51 G 4.0780 9.2345 112.4902 46.0683 0.0000 173.6763 52 D 4.4132 7.3623 117.1647 53.4334 41.6883 175.4108 53 E 3.8792 8.7388 123.5424 57.0952 29.7381 176.0061 54 Q 4.7488 7.7802 125.9234 54.9844 31.9207 174.1627 55 A 3.5966 7.7362 120.0181 51.6178 18.2139 177.2777 *62 G 4.0683 8.8538 112.0290 45.5143 0.0000 172.6653 63 P 4.2453 0.0000 0.0000 65.4643 31.2863 177.9482 64 D 4.7349 8.1033 114.3478 55.3767 41.3079 176.4052 65 R 4.7356 7.7003 115.9295 55.4531 29.6520 176.6780 66 A 4.3009 7.9289 121.9166 55.4901 19.4118 179.2972 67 L 5.0942 8.0383 114.0323 53.2408 46.5061 175.1673 68 C 5.0285 9.5838 123.2895 57.8033 34.2705 171.8326 69 H 5.1874 8.7045 125.2920 54.4190 33.0462 171.9138 70 Y 4.4801 8.5209 125.6339 55.0647 41.8460 172.7021 71 P 4.3144 0.0000 0.0000 62.4888 32.2128 177.9245 72 R 4.1285 8.7107 122.0627 59.1185 29.8875 179.0397 73 E 3.9411 8.1362 118.2827 60.0673 29.4351 178.9175 74 H 4.0242 7.3984 115.5811 59.0712 28.6056 177.3794 75 Y 4.7630 8.0582 118.5156 60.8804 37.5728 178.6087 76 L 4.0383 8.0936 120.3310 57.8586 41.7976 178.7290 77 Y 3.7569 7.7812 118.8396 60.4328 38.7577 177.8731 78 W 4.2601 7.5559 119.5239 59.8254 28.9209 178.4132 79 A 4.2067 8.0248 120.5619 55.0894 17.5530 179.4957 80 R 3.8758 7.4865 116.0144 58.9908 30.2654 178.0302 81 E 3.7880 7.5770 117.3737 57.3631 31.0151 177.0534 82 F 5.0103 8.0281 117.3207 54.0450 40.0523 173.2022 83 P 4.6443 0.0000 0.0000 65.5828 31.2333 178.5252 84 E 4.1684 8.3345 116.4632 58.2077 29.7030 177.9936 85 Q 4.5234 8.0162 116.6893 55.5245 29.0607 176.7876 86 A 4.3335 7.9313 125.0322 55.6978 18.1551 180.1016 87 E 4.1112 8.2082 114.2286 58.6189 29.7039 177.9112 88 L 4.0397 7.7904 117.8215 55.9685 42.4581 177.6524 89 F 5.0023 7.7553 120.0673 56.0734 37.6063 175.3233 90 V 3.9876 6.7074 114.7279 58.5582 36.0524 175.5239 91 A 4.3090 8.2401 125.2907 51.9985 19.3039 176.5369 92 P 4.8986 0.0000 0.0000 60.5364 30.7104 175.2730 93 A 3.8713 8.5864 126.4226 55.8441 18.8850 179.0205 94 F 4.2237 8.4661 112.1607 57.7079 39.0948 176.7220 95 G 3.8990 8.1828 109.5230 45.1460 0.0000 173.8911 96 E 4.1659 7.8475 116.9930 56.3120 30.5302 176.6827 97 N 4.9469 8.6476 118.3261 54.7345 40.3010 174.9056 98 L 5.1620 8.5581 118.7613 52.7473 44.9366 175.8105 99 S 5.2411 8.9147 117.8484 56.9768 65.5180 172.9345 100 T 5.1600 8.0871 115.7580 60.5793 72.5585 172.1084 101 D 5.3422 8.9177 119.5420 54.3484 44.2145 176.1654 102 G 4.1927 10.0038 111.7466 45.0641 0.0000 173.2750 103 L 4.7151 7.5367 119.1494 52.9752 44.4268 175.5963 104 T 4.8777 9.5170 113.5354 59.5764 72.2553 174.5044 105 E 3.7406 8.7583 119.7418 58.8839 29.4228 179.0453 106 S 4.2965 7.4607 111.7461 58.8187 63.6495 174.3568 107 N 4.9217 8.1180 117.1525 52.0263 37.9826 173.7342 108 V 4.3367 7.2339 118.6783 61.7090 35.0407 173.2743 109 Y 4.2060 8.9797 122.3040 58.2309 36.8270 178.5583 *111 G 4.0992 8.8679 117.6538 46.3370 0.0000 171.9142 112 D 4.6439 8.0621 121.3787 55.0869 42.2758 175.5458 113 I 5.0474 8.2180 123.1279 59.6112 39.8714 174.5275 114 F 5.3297 9.6120 125.7649 55.6304 42.2119 174.4447 115 R 4.8149 9.5374 124.6586 55.3610 31.8663 175.0938 116 W 5.3740 8.9847 135.0000 56.5480 33.5212 177.0197 117 G 3.7475 9.3617 120.9840 46.8758 0.0000 173.3860 118 E 4.6280 7.0396 123.3886 55.8358 31.2224 175.5594 119 A 4.7499 7.9657 122.2653 50.9641 21.2178 176.1284 120 L 5.4604 8.8311 119.4534 52.9390 45.0792 176.0623 121 I 5.2144 9.0011 116.2040 59.2143 41.6624 173.8967 122 Q 5.2744 9.1897 124.3689 54.0721 32.3480 174.5561 123 V 4.0564 8.8800 127.1249 63.6140 31.5401 175.5595 124 S 5.0686 9.1356 122.0984 57.3555 65.5843 173.5774 125 Q 4.1744 7.1304 117.5608 54.7539 30.6061 171.2016 126 P 4.6262 0.0000 0.0000 62.0688 32.0902 176.6876 127 R 4.0620 8.8339 125.0862 56.3663 30.6264 176.0065 128 S 4.8460 8.7241 121.5998 56.4932 63.7415 172.3650 129 P 4.3027 0.0000 0.0000 62.6765 31.9457 175.1910 130 C 5.0119 8.2091 121.2034 57.0337 34.3537 174.2063 131 Y 4.2109 8.5510 124.3511 60.0009 37.2443 178.9001 132 K 3.6279 7.0288 119.6263 58.7888 32.0348 178.8007 133 L 3.9903 7.7486 119.4525 57.3179 41.4119 179.0952 134 N 4.7280 8.1472 118.4150 55.9820 38.6238 176.7735 135 Y 3.8796 7.9460 120.4490 60.7319 38.7931 176.8020 136 H 3.8420 7.7344 118.2449 59.0635 30.0189 176.4222 137 F 4.0188 7.7902 115.7336 56.1151 40.0534 174.8818 138 D 4.1532 7.4969 117.2933 55.0023 39.8901 174.2836 139 I 4.4210 7.6849 119.1117 59.6353 40.4016 176.9783 140 S 4.6075 8.8277 120.1852 59.7671 63.4837 174.2239 141 D 4.6650 7.6884 121.2791 53.0597 39.6866 177.3354 142 I 3.5945 8.0287 122.1208 64.7150 38.4572 176.8649 143 A 3.9685 7.9817 123.0351 55.0868 18.5413 178.3531 144 Q 3.8697 7.6840 116.5447 59.3311 29.4694 179.0272 145 L 4.4117 7.8484 114.3401 55.7033 41.4683 178.5885 *147 Q 3.9571 8.1751 122.1842 56.1683 30.5896 177.0001 148 N 4.4702 8.4242 114.6290 56.4212 38.6312 176.4714 149 T 3.9520 7.8357 106.6040 62.2234 69.3118 175.8995 150 G 4.0325 7.7295 108.0214 46.0212 0.0000 174.9774 151 K 4.1007 7.6666 120.5965 54.9936 30.1858 177.1356 152 V 4.2123 7.7208 110.6230 60.0613 33.7937 177.3460 153 G 3.7965 9.5419 109.8414 44.5132 0.0000 171.7854 154 W 5.6288 6.9917 114.7389 55.0899 32.1584 173.8466 155 L 5.2313 8.5344 119.3868 53.2831 44.4524 175.4078 156 Y 5.4015 8.8939 117.8928 56.3601 41.9884 174.8480 157 S 5.1196 9.1823 116.1979 55.9532 66.1637 173.3572 158 V 4.2370 8.3415 122.2862 62.6711 31.3417 175.6459 159 I 4.1178 8.7409 129.1843 63.7362 37.9632 176.3994 160 A 4.6528 8.3383 124.5802 49.3852 21.6174 174.0226 161 P 4.6704 0.0000 0.0000 62.5696 32.5721 176.4416 162 G 3.8980 7.5224 107.1734 46.5985 0.0000 171.6692 163 K 4.5413 7.7169 119.5125 55.7902 33.5486 177.1853 164 V 4.3207 8.0286 116.9968 59.7068 36.3462 174.1197 165 S 4.7476 7.4510 114.0439 57.5917 65.6235 175.4992 166 A 4.3641 8.2434 122.7419 54.1578 18.2133 178.4126 167 D 4.5549 7.8801 114.3276 54.9658 41.4982 176.3628 168 A 4.7250 7.7824 122.7990 49.9367 20.4013 174.7329 169 P 4.9799 0.0000 0.0000 61.5036 33.6485 175.5550 170 L 4.4547 8.5311 121.5996 54.9170 42.9104 175.8802 171 E 5.1544 9.7026 123.1597 54.3152 32.8210 174.9184 172 L 4.1172 8.9114 127.1744 55.1140 42.1266 176.4580 173 V 4.3811 8.3393 119.0737 61.7228 34.5509 176.4738 174 S 4.7685 7.6950 115.4580 56.6003 67.1916 173.1272 175 R 4.3402 9.7800 125.7849 54.6074 31.1184 175.3224 176 V 4.3549 8.1187 119.1688 60.5666 32.3027 175.4530 177 S 4.6008 7.6145 113.2094 57.7625 65.3419 173.3345 178 D 4.9794 8.6757 118.1440 52.7644 39.4140 175.7831 179 V 4.5806 7.5088 119.9230 60.2900 32.6485 176.4472 180 T 3.5973 8.6200 116.5978 60.6507 70.7389 175.6138 181 V 3.3321 7.7782 120.4149 65.8089 31.2690 177.6595 182 Q 3.9042 7.9534 119.6852 59.2202 28.8074 178.3435 183 E 3.8640 7.9118 117.8756 59.2272 29.5303 178.8754 184 A 3.9136 7.9364 121.5416 54.9336 18.5009 179.4955 185 A 3.3658 8.3132 119.4742 55.0288 18.4213 179.7726 186 A 3.7993 8.1125 119.5648 55.1600 18.1929 179.9070 187 I 3.7754 7.8397 117.7552 63.9832 37.2457 177.9128 188 A 4.0266 7.3709 120.6350 53.3735 18.5325 178.0574 189 W 4.9730 7.7569 114.2759 56.9252 31.7035 175.8204 190 H 5.0355 8.0362 116.2965 54.5735 28.4673 172.4238 *192 P 4.2622 0.0000 0.0000 61.8976 32.4901 175.6765 193 F 3.6917 8.5459 119.0367 58.4953 39.5901 175.4183 194 D 4.2454 6.7874 126.5143 51.6453 42.0028 174.2429 195 D 4.2588 8.4544 124.9133 57.4524 41.2933 177.6819 196 D 4.3002 7.9874 118.3840 57.2738 40.7327 178.4588 197 Q 3.8778 7.7920 119.7343 59.2130 28.6746 177.4996 198 Y 4.3897 7.3200 117.8188 61.4452 37.6514 178.1042 199 H 4.1519 8.3629 118.4028 59.1967 30.3631 177.0141 200 R 4.0090 7.9025 120.3662 59.3004 29.9439 178.2272 201 L 3.9823 8.1624 120.3023 58.2208 41.9419 178.8543 202 L 4.1751 8.0366 117.2371 56.9027 41.6188 178.5598 203 S 4.5119 7.5575 112.9507 57.6009 63.3692 174.0096 204 A 4.0782 7.6095 126.9549 51.2987 18.6788 177.1707 205 A 4.0637 8.4468 126.4200 53.5186 19.1140 178.4458 206 G 3.9679 8.8347 108.4437 44.9669 0.0000 173.2877 207 L 4.0370 7.2488 120.4475 55.1483 42.5841 177.1678 208 S 4.3450 8.6412 120.5081 58.2017 63.8405 175.2971 209 K 3.9259 9.0268 122.4380 60.0911 31.8717 179.9073 210 S 4.2071 8.1662 113.6633 61.3087 62.7764 176.3149 211 W 4.0966 8.3244 121.8170 59.4206 28.8292 178.5266 212 T 4.0605 7.9503 115.3748 66.5865 68.2277 176.2018 213 R 4.1124 8.6522 120.9285 59.7733 30.0632 179.2498 214 T 4.0004 7.6766 111.7362 64.4806 68.0897 175.7840 *216 Q 4.2657 8.0502 124.7105 56.1002 31.0532 177.4393 217 K 4.0794 8.0372 117.3673 59.1556 31.9003 179.6749 218 R 4.3098 7.7278 119.9097 58.7903 29.7408 179.0285 219 R 4.1834 7.9520 116.1444 59.5471 30.2178 178.5740 220 L 4.2754 7.8884 117.1889 56.7121 41.8397 178.6727 221 S 4.5057 8.2462 113.1724 58.1668 63.6657 175.5145 222 G 3.6912 8.2178 109.2682 45.0551 0.0000 173.0695 223 K 4.5682 8.4914 118.8767 54.2787 35.2599 175.2425 224 I 4.4038 8.2399 122.9593 59.4668 37.9593 175.9111 225 E 4.0451 8.5671 123.9061 55.9988 30.0545 176.4091 226 D 4.2129 8.3536 120.1093 54.4669 42.0350 176.4909 227 F 5.1134 8.2467 121.0143 57.5478 40.3125 177.4066 228 S 4.3344 8.5077 115.1527 62.7220 62.7222 176.6658 229 R 4.1513 8.1933 119.5853 59.4146 29.9890 179.2252 230 R 3.9792 8.0041 117.9029 59.5715 30.0669 178.5005 231 L 3.7882 7.9767 117.4370 56.6130 41.7180 177.9800 232 W 4.6114 8.3150 115.5538 55.3016 30.2448 176.1422 233 G 2.8735 7.6462 112.7649 45.4694 0.0000 173.6960 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 5 L 8.04 4.36 0.00 1.59 1.74 0.92 0.56 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 6 V 7.55 3.52 2.04 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 0.78 0.00 0.00 0.81 0.00 0.00 7 E 8.25 3.92 0.00 1.88 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 2.25 2.28 0.00 8 R 7.45 4.18 0.00 1.73 1.92 0.00 3.40 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 9 E 7.99 4.25 0.00 2.10 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 2.29 2.47 0.00 10 Q 7.32 3.01 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.50 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 *12 R 8.19 4.35 0.00 1.63 1.90 0.00 3.16 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 13 Y 8.78 4.66 0.00 2.94 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 14 P 0.00 4.89 0.00 1.98 2.04 0.00 3.70 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 15 V 8.13 4.67 1.88 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 0.62 0.00 0.00 0.70 0.00 0.00 16 D 8.95 4.91 0.00 2.69 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 17 V 7.95 4.96 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 1.18 0.00 0.00 1.15 0.00 0.00 18 Y 9.29 5.38 0.00 3.09 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 19 T 8.87 4.91 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 1.27 0.00 0.00 20 G 9.12 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 *34 A 8.36 4.16 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 35 K 7.77 4.43 0.00 1.76 1.88 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.41 7.81 36 I 8.18 4.84 1.92 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 1.15 1.13 0.95 0.00 0.00 37 Q 8.97 4.13 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.71 0.00 0.00 0.00 0.00 0.00 2.14 1.87 0.00 38 V 8.19 4.37 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 0.84 0.00 0.00 0.93 0.00 0.00 39 D 8.72 4.84 0.00 2.64 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 40 G 7.80 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 41 E 8.71 4.99 0.00 1.97 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 2.19 0.00 42 L 8.40 5.01 0.00 1.83 0.86 0.97 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 *44 L 8.77 4.29 0.00 1.65 1.68 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.39 4.58 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 1.21 0.00 0.00 46 E 8.66 4.00 0.00 1.98 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 2.37 0.00 47 L 7.91 4.41 0.00 1.72 1.70 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.43 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 0.00 0.00 0.00 49 L 8.49 4.49 0.00 1.78 1.63 1.08 0.86 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 50 E 8.60 4.17 0.00 2.14 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 0.00 2.33 2.30 0.00 51 G 9.23 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 0.00 0.00 0.00 52 D 7.36 4.41 0.00 2.76 2.64 0.00 0.00 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0.00 0.00 0.00 1.93 1.91 0.00 126 P 0.00 4.63 0.00 1.88 2.00 0.00 2.20 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.68 0.00 127 R 8.83 4.06 0.00 1.76 2.18 0.00 3.59 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 128 S 8.72 4.85 0.00 4.12 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.30 0.00 2.08 1.91 0.00 3.15 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 1.41 1.50 0.00 130 C 8.21 5.01 0.00 2.89 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 0.00 131 Y 8.55 4.21 0.00 3.23 3.31 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 0.00 132 K 7.03 3.63 0.00 1.48 1.61 0.00 1.39 0.00 0.00 1.17 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.49 1.08 7.81 133 L 7.75 3.99 0.00 1.96 1.75 0.83 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.15 4.73 0.00 2.91 3.02 0.00 0.00 6.69 7.09 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 0.00 135 Y 7.95 3.88 0.00 3.09 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 0.00 136 H 7.73 3.84 0.00 2.98 3.16 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 F 7.79 4.02 0.00 2.95 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 0.00 138 D 7.50 4.15 0.00 2.49 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 0.00 139 I 7.68 4.42 1.62 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.27 0.58 0.00 0.00 140 S 8.83 4.61 0.00 4.16 4.07 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 0.00 141 D 7.69 4.67 0.00 3.02 3.29 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 0.00 142 I 8.03 3.59 1.58 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.09 0.89 0.00 0.00 143 A 7.98 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 0.00 144 Q 7.68 3.87 0.00 1.65 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 7.11 0.00 0.00 0.00 0.00 0.00 2.65 2.52 0.00 145 L 7.85 4.41 0.00 2.10 1.99 1.18 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 *147 Q 8.18 3.96 0.00 1.65 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.91 0.00 0.00 0.00 0.00 0.00 1.90 1.16 0.00 148 N 8.42 4.47 0.00 2.97 2.90 0.00 0.00 7.09 7.83 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 0.00 149 T 7.84 3.95 3.95 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 1.19 0.00 0.00 150 G 7.73 4.03 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 0.00 151 K 7.67 4.10 0.00 1.69 1.05 0.00 0.74 0.00 0.00 0.70 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.83 1.00 7.81 152 V 7.72 4.21 2.45 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 0.80 0.00 0.00 1.27 0.00 0.00 153 G 9.54 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 W 6.99 5.63 0.00 3.17 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 0.00 155 L 8.53 5.23 0.00 1.58 1.60 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 156 Y 8.89 5.40 0.00 3.02 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 0.00 157 S 9.18 5.12 0.00 3.91 4.02 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 0.00 158 V 8.34 4.24 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 0.90 0.00 0.00 1.06 0.00 0.00 159 I 8.74 4.12 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.99 0.95 0.00 0.00 160 A 8.34 4.65 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 P 0.00 4.67 0.00 1.95 2.10 0.00 3.82 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 2.03 2.11 0.00 162 G 7.52 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 0.00 163 K 7.72 4.54 0.00 1.75 1.62 0.00 1.56 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.34 7.81 164 V 8.03 4.32 0.67 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 -0.16 0.00 0.00 0.29 0.00 0.00 165 S 7.45 4.75 0.00 4.04 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 0.00 166 A 8.24 4.36 1.29 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 0.00 0.00 167 D 7.88 4.55 0.00 2.67 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 A 7.78 4.72 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 0.00 169 P 0.00 4.98 0.00 2.16 2.12 0.00 3.89 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 170 L 8.53 4.45 0.00 1.72 1.61 0.42 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 171 E 9.70 5.15 0.00 1.93 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 2.61 0.00 172 L 8.91 4.12 0.00 1.57 1.57 0.28 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 173 V 8.34 4.38 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 0.76 0.00 0.00 0.98 0.00 0.00 174 S 7.69 4.77 0.00 3.64 3.62 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 0.00 175 R 9.78 4.34 0.00 1.52 1.66 0.00 2.26 0.00 0.00 2.81 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.34 0.00 176 V 8.12 4.35 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 0.78 0.00 0.00 0.91 0.00 0.00 177 S 7.61 4.60 0.00 3.93 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 0.00 178 D 8.68 4.98 0.00 2.82 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 V 7.51 4.58 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 0.76 0.00 0.00 0.85 0.00 0.00 180 T 8.62 3.60 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 0.23 0.00 0.00 181 V 7.78 3.33 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 0.99 0.00 0.00 0.46 0.00 0.00 182 Q 7.95 3.90 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 183 E 7.91 3.86 0.00 2.20 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 0.00 2.17 2.29 0.00 184 A 7.94 3.91 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 0.00 185 A 8.31 3.37 1.47 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 0.00 0.00 186 A 8.11 3.80 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 0.00 187 I 7.84 3.78 1.88 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 1.42 0.78 1.02 0.00 0.00 188 A 7.37 4.03 0.16 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 0.00 189 W 7.76 4.97 0.00 3.42 2.97 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 0.00 190 H 8.04 5.04 0.00 3.30 3.34 0.00 5.70 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *192 P 0.00 4.26 0.00 2.28 2.17 0.00 3.85 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.01 0.00 193 F 8.55 3.69 0.00 3.14 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 0.00 194 D 6.79 4.25 0.00 2.57 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 0.00 0.00 0.00 195 D 8.45 4.26 0.00 2.91 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 0.00 196 D 7.99 4.30 0.00 2.64 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 0.00 197 Q 7.79 3.88 0.00 2.06 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 198 Y 7.32 4.39 0.00 3.12 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 0.00 199 H 8.36 4.15 0.00 3.24 3.52 0.00 5.76 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 R 7.90 4.01 0.00 2.12 2.03 0.00 3.14 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 201 L 8.16 3.98 0.00 1.85 1.86 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 202 L 8.04 4.18 0.00 1.63 1.71 0.95 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 0.00 203 S 7.56 4.51 0.00 3.97 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 0.00 204 A 7.61 4.08 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 0.00 205 A 8.45 4.06 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 0.00 206 G 8.83 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 0.00 207 L 7.25 4.04 0.00 1.80 1.64 1.00 1.04 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 0.00 208 S 8.64 4.34 0.00 4.09 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 0.00 209 K 9.03 3.93 0.00 2.05 1.98 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.51 7.81 210 S 8.17 4.21 0.00 4.14 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 0.00 211 W 8.32 4.10 0.00 3.22 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 0.00 212 T 7.95 4.06 4.47 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 1.24 0.00 0.00 213 R 8.65 4.11 0.00 1.85 2.19 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 214 T 7.68 4.00 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 0.99 0.00 0.00 *216 Q 8.05 4.27 0.00 2.21 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 217 K 8.04 4.08 0.00 1.99 1.83 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.56 7.81 218 R 7.73 4.31 0.00 1.28 1.83 0.00 2.21 0.00 0.00 2.65 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.48 0.00 219 R 7.95 4.18 0.00 1.97 2.12 0.00 3.31 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 220 L 7.89 4.28 0.00 1.67 1.75 0.96 0.95 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 0.00 221 S 8.25 4.51 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 0.00 222 G 8.22 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 K 8.49 4.57 0.00 1.72 1.66 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.27 7.81 224 I 8.24 4.40 1.93 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.95 0.85 0.00 0.00 225 E 8.57 4.05 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 226 D 8.35 4.21 0.00 2.57 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 F 8.25 5.11 0.00 3.09 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 0.00 228 S 8.51 4.33 0.00 4.27 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 0.00 229 R 8.19 4.15 0.00 1.85 2.00 0.00 3.27 0.00 0.00 3.45 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 230 R 8.00 3.98 0.00 1.96 1.99 0.00 3.28 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 231 L 7.98 3.79 0.00 1.50 0.89 0.92 0.47 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 0.00 232 W 8.32 4.61 0.00 3.21 3.20 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 0.00 233 G 7.65 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.