NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 N 4.7617 8.2827 117.7921 51.7658 39.7339 174.7769 8 K 3.8154 8.7265 124.1662 57.9369 32.2687 177.1175 9 Q 4.1133 8.3297 119.6052 59.3772 29.3686 177.9971 10 V 3.7633 7.8051 118.4705 66.0849 31.6537 177.7031 11 K 3.9281 8.2211 118.2244 59.6791 31.8696 179.3660 12 I 3.6826 8.2725 120.2016 64.5177 37.0675 178.4791 13 Q 3.8950 8.5200 119.2747 59.0434 28.5381 178.6551 14 D 4.3325 8.5876 120.0559 57.2467 40.8462 178.6958 15 A 3.9406 7.9790 121.1689 55.1731 18.3435 179.6803 16 V 3.4311 7.8209 116.5115 66.2316 31.5294 178.1161 17 A 3.9477 8.1714 120.1591 54.9561 18.2103 179.4290 18 A 3.9172 8.0385 119.2943 55.3515 18.3377 179.8832 19 I 3.6233 7.6925 118.2411 64.6033 37.1471 178.4646 20 I 3.8464 7.8836 120.7113 64.7114 36.7534 178.4713 21 L 3.9740 7.7639 118.0031 57.5756 41.4829 179.1106 22 A 4.2540 7.9246 119.7913 54.1326 18.7283 177.9625 23 E 4.3986 8.7579 113.6459 55.1253 31.2604 176.8738 24 G 4.0273 8.3186 109.0811 43.9466 0.0000 173.2572 25 P 4.2098 0.0000 0.0000 65.2923 31.4091 179.1003 26 A 4.0503 8.0629 120.1040 54.8299 18.3523 178.5676 27 G 3.7077 7.8649 103.6440 47.2211 0.0000 174.4136 28 V 3.7461 7.5309 121.2113 62.7195 32.1802 175.8117 29 S 4.7060 8.1890 120.4467 56.0467 67.2402 175.0701 30 T 3.6970 8.4754 119.9809 67.1082 68.1775 176.9051 31 T 3.8066 7.7838 116.9590 66.5968 68.6206 176.3432 32 K 3.8979 8.1006 121.4320 59.4397 32.2027 178.9547 33 V 3.5008 7.9299 118.2884 65.9258 31.4694 177.8240 34 A 4.0329 8.3505 123.3095 55.7164 17.9742 180.3856 35 K 3.9485 7.9227 121.1020 59.9682 31.8486 181.0976 36 R 4.2443 7.7645 118.4311 59.2182 30.0948 179.1403 37 V 3.8128 7.7086 116.8234 63.6422 31.5393 176.5361 38 G 3.8491 8.4044 106.1017 45.8562 0.0000 172.5978 39 I 4.5704 7.3524 110.6270 57.7623 41.0130 174.6874 40 A 4.2151 8.1882 122.9611 52.0355 18.9745 178.7828 41 Q 3.9636 8.7368 119.7174 58.9511 28.5416 179.3197 42 S 4.3371 8.2100 114.1731 61.7925 62.5576 175.7610 43 N 4.4546 8.0330 119.9757 56.3940 38.6617 177.1077 44 V 3.7085 7.5424 119.3302 66.0167 31.5618 177.1313 45 Y 5.1542 7.8820 116.2308 59.5005 37.7831 177.6270 46 L 4.2579 7.8319 121.4330 57.5242 41.7631 177.7892 *47 Y 4.2290 7.7190 115.8586 56.8722 39.3097 180.7676 48 F 4.9668 7.6981 117.3862 55.7034 42.6598 175.6095 49 K 4.3191 9.0095 124.6246 59.0679 33.3894 176.3001 50 N 4.6993 7.7798 116.0313 50.9363 40.6707 174.7280 51 K 3.8147 8.4421 120.2972 59.8576 31.9992 177.9792 52 Q 3.9210 8.1755 118.8862 59.3212 28.9730 178.0060 53 A 4.0886 8.5296 121.6286 55.1922 18.2704 179.5920 54 L 3.3260 7.8494 117.1154 57.8218 41.6761 179.8584 55 I 3.6718 7.6280 119.5643 64.5994 37.0823 178.2627 56 D 4.5091 8.4021 119.9979 57.3450 40.5644 178.9054 57 S 4.1941 8.1375 113.6768 61.4811 62.4425 176.4525 58 V 3.5878 7.6136 120.7729 65.9077 31.2267 177.0485 59 Y 4.0910 8.5267 119.6270 61.0059 38.5413 178.3460 60 A 4.0003 8.2510 122.7532 54.3249 18.2198 179.3997 61 R 3.8134 7.9308 116.5139 59.7040 30.5936 178.2490 62 E 4.1674 8.2603 118.3634 59.7503 29.5953 179.5583 63 T 3.7999 7.6625 109.6754 64.9058 68.5088 176.0531 64 N 4.4737 8.0680 117.8582 55.2570 38.6224 176.9326 65 R 4.0880 7.3781 117.8310 57.6739 30.3065 178.0023 66 I 2.7058 6.8708 119.1685 63.2716 37.2474 176.1916 67 L 4.9097 7.4096 118.1247 52.4816 44.4340 177.2980 68 S 4.5304 8.9990 118.6866 57.6250 65.6402 175.7455 69 T 3.8215 8.2733 117.9568 67.0369 68.0341 176.6019 70 T 3.8832 7.9982 117.1391 66.9624 68.4901 175.7365 71 D 4.3573 8.2819 120.4473 57.6885 40.9530 179.1060 72 L 4.0493 8.1105 119.2094 57.8149 41.3072 179.5265 73 D 4.3139 7.9708 118.2624 57.2802 41.1394 178.3366 74 R 4.0271 7.7752 118.9883 59.5407 29.8853 178.6221 75 L 4.1329 7.9506 117.7444 56.8930 41.6650 178.4897 76 S 4.7810 7.6590 111.9704 57.3011 63.7429 173.6370 77 D 4.5635 7.6305 123.7689 53.4172 40.2608 176.9120 78 S 4.3462 8.5250 122.3560 60.4605 63.4150 175.5506 79 T 4.0625 7.8826 110.6856 63.4019 68.9530 174.6809 80 I 4.2196 7.3515 124.0171 59.9309 38.4767 176.0497 81 D 4.5670 8.4247 124.7573 53.4654 41.3043 178.1073 82 V 3.7273 8.3615 114.5111 64.7037 31.7000 179.1391 83 T 3.8621 8.0119 115.3929 66.7648 68.3537 176.6120 84 T 3.7663 7.8214 117.5172 66.8258 68.4649 176.9789 85 R 3.9345 7.8819 119.6235 59.1527 29.9523 179.1379 86 I 3.8523 8.1129 120.0241 64.4611 37.0793 178.3812 87 R 3.4626 7.7285 119.0592 59.2785 29.8611 178.3829 88 L 3.8124 7.9330 118.7974 57.8891 41.6312 178.9128 89 Y 4.1277 8.2050 119.3699 60.9365 38.8411 178.4109 90 V 3.3268 8.0726 119.3438 65.7835 31.5325 177.7512 91 Q 2.9587 8.0820 119.8260 58.5916 28.7169 177.9271 92 Q 3.8372 7.8014 120.6199 59.1726 29.0801 178.3114 93 V 3.4886 7.4175 119.1558 66.1090 31.3975 177.1318 94 Y 4.0407 8.0343 118.9983 60.9435 38.8205 177.8912 95 D 4.2634 8.4218 119.7760 57.4635 41.0173 177.9650 96 Y 4.0434 8.4370 120.2877 60.9098 38.5172 178.3422 97 S 3.7833 8.1166 112.6074 61.4044 62.6152 175.9133 98 L 3.9060 7.4123 119.9914 57.2927 41.3237 178.8044 99 A 4.2237 7.4513 119.1546 52.8474 20.1828 177.2546 100 N 4.7901 7.2232 114.3731 50.7264 38.6413 173.4648 101 P 4.3142 0.0000 0.0000 64.4314 32.2712 177.1559 102 D 4.8009 7.7559 116.6271 54.2526 42.2754 178.1915 103 S 4.3095 8.2894 116.3031 61.0438 62.3547 175.9798 104 L 4.0880 7.9142 121.1787 57.9603 41.3553 179.4558 105 T 3.8808 7.8397 115.2980 66.6272 68.4682 176.5042 106 I 3.7239 7.8633 121.5281 64.4317 37.1643 178.3234 107 I 3.8586 7.8805 120.6285 64.6900 36.9295 178.1598 108 Q 4.0323 8.3830 120.3313 59.3531 28.5986 178.4008 109 Q 4.0141 8.2973 118.9774 59.0341 28.8954 178.9048 110 I 3.7273 7.9420 120.6902 64.3338 37.1753 178.4922 111 K 3.7832 8.5328 119.4908 59.5761 31.6922 179.0229 112 A 3.9966 8.0941 119.9814 55.2275 18.2950 179.0640 113 L 4.1044 7.4550 117.5316 58.2508 42.2433 178.2619 114 N 4.4961 8.0507 116.2358 53.2097 39.8342 174.9707 115 G 3.8611 8.2123 114.6402 46.5983 0.0000 174.0148 116 Q 3.8358 8.3830 124.9106 57.7330 28.0287 178.6703 *124 D 4.6319 9.1273 114.8524 53.9088 42.7734 180.0622 125 A 4.2355 8.1700 120.3323 51.6841 17.3389 179.2883 126 D 3.9695 8.3814 121.8661 56.6976 40.9529 174.7534 127 P 4.2233 0.0000 0.0000 65.4076 30.5284 175.3577 128 N 4.7795 8.2891 116.3639 51.8647 37.8248 177.2612 129 N 4.5972 8.0331 114.2887 54.2440 36.0432 180.4253 130 I 3.6999 7.2572 121.7554 65.6177 37.1109 178.2485 131 V 3.3140 7.6996 117.8409 65.8280 31.3360 177.6510 132 A 3.9588 8.1879 120.9274 55.3336 18.2352 179.3244 133 N 4.2471 8.7562 115.2794 56.2696 38.5910 177.4079 134 L 3.9491 7.9565 121.7512 58.1317 42.1522 179.1306 135 L 4.0325 8.1228 119.3040 57.9631 41.6012 179.5197 136 T 3.8680 8.2336 109.8627 64.8071 68.5811 176.2743 137 A 3.9869 8.2052 123.4068 54.8609 18.3889 179.4985 138 A 4.0205 8.1822 119.2620 55.1691 18.4277 179.9980 139 I 3.7881 8.0913 118.7947 64.7413 37.0441 178.0755 140 D 4.3585 8.4972 117.4294 57.1736 41.0779 177.3966 141 A 4.2565 7.8972 118.4239 51.4738 18.7768 177.1728 142 K 3.8362 7.8063 115.5262 57.3429 30.5909 177.3628 143 V 3.8435 8.1080 120.8363 64.7113 31.7880 175.7074 144 I 4.7672 7.2394 110.1146 57.9770 40.2559 175.0033 145 K 3.9596 8.4073 120.0850 57.0605 32.6896 178.3986 146 Q 4.4029 8.3543 121.7325 55.5530 26.6342 174.8646 147 L 4.9129 7.2620 118.1228 51.6124 46.4713 175.1911 148 P 4.4035 0.0000 0.0000 62.5886 31.5880 177.9280 149 V 3.7343 8.6299 120.9964 66.4575 31.0346 178.6775 150 S 3.9598 8.0086 112.5631 61.1479 63.2141 176.0751 151 L 4.2238 7.9207 122.9356 57.7989 41.3485 179.2588 152 H 4.0968 7.6071 111.7570 56.9909 28.5218 177.2699 *154 G 4.0028 8.2199 110.9085 45.6699 0.0000 176.2078 155 V 3.6979 7.9533 120.9066 64.3690 31.3236 178.4155 156 V 3.6634 7.8482 118.5078 66.0453 31.3924 178.1340 157 F 3.9551 8.4385 116.8630 60.4311 38.8844 177.6811 158 S 4.2405 8.7977 113.3204 61.6559 62.2117 176.3594 159 T 3.9053 7.9036 118.0084 66.8314 68.2164 176.8088 160 I 3.8649 7.6935 121.2650 64.4915 37.0768 178.0341 161 H 4.2622 8.7398 119.5273 59.6474 29.7114 177.3399 162 T 3.8141 8.1230 117.6458 66.9939 68.4110 175.9609 163 H 4.4101 8.2048 121.3011 59.0348 29.8685 177.4305 164 T 3.7428 8.1118 117.7635 66.9043 68.3303 176.8799 165 T 3.8951 8.0146 111.6460 64.6075 68.7350 176.2867 166 N 4.1420 8.4209 119.8420 56.3040 38.5516 177.3666 167 I 3.5497 7.3400 120.7428 64.3945 36.9461 178.7445 168 S 4.1459 7.7396 114.9860 61.0092 62.6974 175.9295 169 K 4.2963 7.9089 118.8126 55.8207 31.9858 177.2855 170 G 3.8770 7.5992 106.7672 46.4865 0.0000 175.6121 171 R 4.0527 7.9725 121.7438 58.7290 30.3465 176.1439 172 Y 4.6828 6.7683 113.1666 55.8095 40.6297 173.3620 173 A 4.3458 8.3610 123.1146 51.5945 19.2152 178.4059 174 Q 4.0520 8.7395 120.9493 58.6912 29.1142 177.0819 175 D 4.8700 7.9089 114.1634 52.8756 40.1654 176.7273 176 Q 3.9150 8.0488 122.0567 58.8347 29.1216 176.0500 177 Y 4.8711 7.7616 112.9279 56.1939 41.1023 175.6388 178 T 4.6490 8.7293 113.6224 60.2160 72.2742 175.7346 179 F 3.4652 8.7096 122.6326 61.1701 39.1962 177.0370 180 G 3.5762 8.0904 104.7259 47.9071 0.0000 175.1139 181 D 4.3311 7.7282 120.1196 57.2509 40.9756 178.7685 182 I 3.7562 7.1940 118.3843 64.2472 37.4319 178.0733 183 F 4.2074 8.1081 121.7402 60.7470 38.9122 177.1891 184 Q 3.9104 7.6026 116.3233 56.8726 28.1611 177.7775 *186 I 4.0627 7.6789 120.6064 60.7032 39.1864 177.9037 187 W 3.9876 7.9654 128.9735 60.4196 30.6419 176.6531 188 D 4.1630 7.8884 116.9353 57.4856 40.1968 178.2146 189 A 3.8373 7.1079 116.8623 53.4007 18.2671 177.1260 *191 K 3.5405 7.6629 115.1669 56.4623 33.4293 175.4281 192 Q 3.8565 8.1353 122.6096 57.3585 29.5022 175.9132 193 D 4.8589 8.6993 123.8860 54.6090 40.2370 174.3878 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 7 N 8.28 4.76 0.00 2.67 2.77 0.00 0.00 6.40 6.77 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 8 K 8.73 3.82 0.00 1.96 1.86 0.00 1.60 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.65 7.81 9 Q 8.33 4.11 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.60 2.61 0.00 10 V 7.81 3.76 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 1.05 0.00 0.00 0.96 0.00 0.00 11 K 8.22 3.93 0.00 2.01 1.87 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.61 1.65 7.81 12 I 8.27 3.68 2.18 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.74 0.73 0.00 0.00 13 Q 8.52 3.89 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.70 0.00 14 D 8.59 4.33 0.00 2.79 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.98 3.94 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 16 V 7.82 3.43 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 0.79 0.00 0.00 17 A 8.17 3.95 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 18 A 8.04 3.92 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 19 I 7.69 3.62 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.91 0.92 0.00 0.00 20 I 7.88 3.85 2.03 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 1.52 0.75 0.93 0.00 0.00 21 L 7.76 3.97 0.00 1.79 1.73 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.92 4.25 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 23 E 8.76 4.40 0.00 1.79 1.92 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 2.22 2.20 0.00 24 G 8.32 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 25 P 0.00 4.21 0.00 2.18 2.10 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.09 0.00 26 A 8.06 4.05 1.28 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 0.00 0.00 27 G 7.86 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.53 3.75 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 0.75 0.00 0.00 0.93 0.00 0.00 29 S 8.19 4.71 0.00 4.02 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 30 T 8.48 3.70 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 31 T 7.78 3.81 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 32 K 8.10 3.90 0.00 1.80 1.77 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.43 7.81 33 V 7.93 3.50 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 0.84 0.00 0.00 34 A 8.35 4.03 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 35 K 7.92 3.95 0.00 1.88 1.74 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.35 7.81 36 R 7.76 4.24 0.00 2.01 2.00 0.00 3.10 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 37 V 7.71 3.81 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 0.81 0.00 0.00 0.96 0.00 0.00 38 G 8.40 3.85 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 0.00 0.00 0.00 39 I 7.35 4.57 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 1.34 0.77 0.92 0.00 0.00 40 A 8.19 4.22 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 41 Q 8.74 3.96 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 42 S 8.21 4.34 0.00 4.10 4.10 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 43 N 8.03 4.45 0.00 2.87 2.94 0.00 0.00 6.83 7.73 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 44 V 7.54 3.71 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 0.91 0.00 0.00 0.92 0.00 0.00 45 Y 7.88 5.15 0.00 3.17 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 46 L 7.83 4.26 0.00 1.78 1.73 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 *47 Y 7.72 4.23 0.00 2.33 2.17 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 48 F 7.70 4.97 0.00 2.99 2.92 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 49 K 9.01 4.32 0.00 1.93 2.01 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.51 7.81 50 N 7.78 4.70 0.00 3.04 3.05 0.00 0.00 5.90 6.44 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 51 K 8.44 3.81 0.00 1.85 1.88 0.00 1.80 0.00 0.00 1.75 0.00 0.00 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0.00 0.00 0.00 60 A 8.25 4.00 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 61 R 7.93 3.81 0.00 1.97 2.14 0.00 3.30 0.00 0.00 3.39 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 62 E 8.26 4.17 0.00 1.93 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 2.54 2.50 0.00 63 T 7.66 3.80 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 0.47 0.00 0.00 64 N 8.07 4.47 0.00 2.84 2.89 0.00 0.00 7.11 7.49 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 65 R 7.38 4.09 0.00 2.09 2.08 0.00 3.45 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 66 I 6.87 2.71 1.72 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.26 0.87 0.00 0.00 67 L 7.41 4.91 0.00 1.60 1.56 1.10 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 68 S 9.00 4.53 0.00 4.03 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 69 T 8.27 3.82 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 70 T 8.00 3.88 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 71 D 8.28 4.36 0.00 2.95 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 72 L 8.11 4.05 0.00 1.99 1.72 0.93 0.96 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 73 D 7.97 4.31 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.78 4.03 0.00 2.04 1.99 0.00 3.13 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 75 L 7.95 4.13 0.00 1.66 1.68 1.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 76 S 7.66 4.78 0.00 4.03 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 6.68 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 7.96 3.95 0.00 1.81 1.83 0.94 0.49 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 0.00 135 L 8.12 4.03 0.00 1.73 1.70 1.01 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 136 T 8.23 3.87 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 1.28 0.00 0.00 137 A 8.21 3.99 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.18 4.02 1.48 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 0.00 0.00 139 I 8.09 3.79 2.02 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 1.63 0.83 0.98 0.00 0.00 140 D 8.50 4.36 0.00 2.67 2.85 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 0.00 141 A 7.90 4.26 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 0.00 142 K 7.81 3.84 0.00 1.93 1.90 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.36 7.81 143 V 8.11 3.84 2.31 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 1.30 0.00 0.00 1.01 0.00 0.00 144 I 7.24 4.77 1.76 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.74 0.96 0.00 0.00 145 K 8.41 3.96 0.00 1.79 1.78 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.52 7.81 146 Q 8.35 4.40 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 147 L 7.26 4.91 0.00 1.49 1.47 0.85 1.11 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 0.00 148 P 0.00 4.40 0.00 2.19 1.98 0.00 3.60 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 2.11 2.08 0.00 149 V 8.63 3.73 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 1.13 0.00 0.00 0.96 0.00 0.00 150 S 8.01 3.96 0.00 4.08 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 0.00 151 L 7.92 4.22 0.00 1.83 1.70 0.90 1.07 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 0.00 152 H 7.61 4.10 0.00 3.36 3.42 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *154 G 8.22 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 0.00 155 V 7.95 3.70 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.96 0.00 0.00 156 V 7.85 3.66 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 0.87 0.00 0.00 1.21 0.00 0.00 157 F 8.44 3.96 0.00 3.20 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 0.00 158 S 8.80 4.24 0.00 3.94 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 0.00 159 T 7.90 3.91 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 1.23 0.00 0.00 160 I 7.69 3.86 1.93 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 1.70 0.76 0.90 0.00 0.00 161 H 8.74 4.26 0.00 3.38 3.50 0.00 5.62 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 0.00 162 T 8.12 3.81 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 163 H 8.20 4.41 0.00 3.42 3.60 0.00 5.83 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 0.00 164 T 8.11 3.74 4.41 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 1.13 0.00 0.00 165 T 8.01 3.90 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 1.13 0.00 0.00 166 N 8.42 4.14 0.00 2.77 2.28 0.00 0.00 6.94 6.87 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 0.00 167 I 7.34 3.55 1.83 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 1.42 0.68 0.82 0.00 0.00 168 S 7.74 4.15 0.00 3.90 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 0.00 169 K 7.91 4.30 0.00 1.77 1.78 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.40 7.81 170 G 7.60 3.88 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 0.00 0.00 0.00 171 R 7.97 4.05 0.00 1.59 2.05 0.00 3.38 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 172 Y 6.77 4.68 0.00 3.09 3.10 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 0.00 173 A 8.36 4.35 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 0.00 174 Q 8.74 4.05 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 175 D 7.91 4.87 0.00 2.84 2.78 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 0.00 176 Q 8.05 3.92 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.69 0.00 0.00 0.00 0.00 0.00 1.88 1.30 0.00 177 Y 7.76 4.87 0.00 3.11 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 0.00 178 T 8.73 4.65 4.31 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 1.26 0.00 0.00 179 F 8.71 3.47 0.00 2.54 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 0.00 180 G 8.09 3.58 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 0.00 0.00 0.00 181 D 7.73 4.33 0.00 2.92 2.82 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 0.00 182 I 7.19 3.76 1.74 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.77 0.96 0.00 0.00 183 F 8.11 4.21 0.00 1.51 2.36 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 0.00 184 Q 7.60 3.91 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.17 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 *186 I 7.68 4.06 1.89 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 1.36 0.81 1.08 0.00 0.00 187 W 7.97 3.99 0.00 1.78 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 D 7.89 4.16 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.11 3.84 1.20 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 0.00 0.00 *191 K 7.66 3.54 0.00 0.98 0.74 0.00 1.34 0.00 0.00 0.89 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.77 1.03 7.81 192 Q 8.14 3.86 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 5.57 0.00 0.00 0.00 0.00 0.00 2.53 2.33 0.00 193 D 8.70 4.86 0.00 2.76 2.82 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 * Residues marked with a * may have inaccurate shift predictions.