NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 5.6820 8.3916 117.2562 56.1249 30.1209 171.0676 6 H 4.7752 8.6790 119.1185 54.4681 33.4250 169.7433 7 H 4.0470 9.7700 128.2968 57.5655 29.3792 175.4159 *12 S 4.2981 8.7468 109.1031 58.5829 64.8767 174.3414 13 S 4.9353 8.7072 118.4514 57.0006 66.2236 172.5661 14 N 4.8147 9.2470 120.1686 52.0452 39.9678 174.2286 15 I 4.7516 8.9596 124.9518 59.3237 40.5487 174.1339 16 L 5.0696 8.9059 130.0135 53.6050 44.0110 174.8672 17 I 4.6540 8.6627 127.7738 59.6544 39.7289 174.6706 18 I 4.0768 8.3319 129.2090 59.5812 38.5936 174.6744 19 N 4.4667 9.0173 128.5717 52.4938 39.6092 174.9351 20 G 4.1527 9.0721 114.1124 45.9537 0.0000 173.2989 21 A 4.2315 7.9460 122.6833 52.4354 18.8598 178.1481 22 K 4.2935 8.3543 118.8409 57.5240 34.6911 175.5157 *32 N 4.7671 7.8623 116.6154 53.4635 40.7440 176.4222 33 D 4.3724 8.0786 117.8045 57.5202 40.8480 178.6770 34 T 4.0256 7.8150 115.6867 66.8261 68.6391 176.6903 35 L 4.0963 7.8932 120.2405 57.8970 41.5320 179.6234 36 T 3.9220 8.0495 115.9715 66.7043 68.3989 176.5629 37 E 3.9538 8.1487 120.5604 59.2184 29.3536 179.6386 38 V 3.5670 7.9933 118.1893 65.8894 31.6695 177.9762 39 A 3.7416 8.1596 120.4635 55.0791 18.2420 178.6895 40 D 4.3067 8.2864 116.8595 57.7776 41.3134 179.0200 41 G 3.5684 8.1797 105.7586 48.0129 0.0000 175.7567 42 T 3.8203 7.9248 117.5474 66.3998 68.7865 176.5524 43 L 4.0853 8.2328 121.2384 57.8345 41.6052 179.8395 44 R 4.5172 7.9033 119.4092 58.7667 29.8171 178.2732 45 D 4.6132 7.9110 116.1546 55.5192 40.9328 177.3514 46 L 4.5534 7.6108 118.9433 54.1975 42.1374 177.2344 47 G 3.8789 8.0459 108.4725 45.2035 0.0000 173.8734 48 H 4.6972 7.6361 116.5504 55.4389 30.8707 173.3437 49 D 5.3170 8.6693 120.4102 52.7503 42.9971 175.5298 50 V 5.2362 8.4959 124.3768 60.0649 34.5389 174.9190 51 R 4.6944 9.0370 121.3397 54.4506 33.6281 174.5562 52 I 5.1243 8.2569 122.5022 59.5257 40.5428 175.3501 53 V 4.4836 8.3038 124.3716 60.2012 35.0230 174.1212 54 R 4.6634 8.6146 122.9749 55.1548 30.3841 176.0093 55 A 4.0407 8.8430 127.5076 54.2395 18.8513 177.9725 56 D 4.5318 7.6030 114.4596 54.0167 40.7384 174.5478 57 S 4.7544 7.5905 112.4053 56.5676 67.2754 174.0812 58 D 4.3527 8.2953 120.9725 52.9669 39.8675 174.8570 59 Y 4.2871 6.9123 120.4167 57.1751 39.4429 175.3131 60 D 4.9096 8.5754 119.3809 52.5855 42.8199 176.6732 61 V 3.6829 8.6313 121.4958 64.8125 31.6676 178.4828 62 K 3.9363 8.0790 117.3292 59.5664 31.9416 179.2498 63 A 4.0473 8.1920 120.3728 55.2615 18.4083 179.3829 64 E 4.0963 8.4139 117.1500 59.4742 29.4633 179.7782 65 V 3.7044 8.0684 118.4948 66.2066 31.7572 178.1989 66 Q 4.1864 8.0516 117.1789 58.8102 28.4072 178.5189 67 N 4.4644 8.3315 117.9823 56.2939 38.3526 177.4728 68 F 3.9864 8.4142 118.3981 60.5390 39.1269 177.5001 69 L 4.2674 8.0905 117.7118 57.3410 41.4171 179.2471 70 W 4.2349 8.0518 127.2244 59.5116 31.2134 176.6520 71 A 3.7428 7.8479 120.6656 52.3492 18.5652 176.7525 72 D 4.6999 8.8550 120.9729 55.5688 42.7985 176.9517 73 V 5.0606 7.4589 116.6857 61.0094 35.7412 174.2842 74 V 4.6631 8.9693 126.3946 61.1758 34.3743 173.9509 75 I 4.7547 8.6893 129.2932 59.5987 39.5295 174.9010 76 W 4.8359 9.0088 127.2886 55.2867 30.1497 174.2497 77 Q 5.1555 8.8903 127.1684 53.6855 29.9736 172.9507 *79 P 5.0059 0.0000 0.0000 62.8340 32.9487 175.6004 80 G 3.1729 8.5707 108.3571 45.0435 0.0000 173.0547 81 W 4.5438 8.8870 126.7875 57.0445 30.2012 176.8996 82 W 4.3952 8.0113 117.9756 56.7435 31.0889 176.0363 *84 G 3.6277 7.5847 106.6925 44.9956 0.0000 171.6560 85 A 4.2430 8.5437 122.3071 51.6557 19.1016 176.3150 86 P 4.1855 0.0000 0.0000 61.5438 32.0187 177.5883 87 W 4.3871 8.8003 118.1211 60.1163 27.7770 178.5517 88 T 3.2615 6.5570 109.9936 64.1198 68.1557 176.5898 89 V 3.7287 7.5172 121.3146 65.5007 31.5897 177.9564 90 K 3.9481 7.9599 119.0812 59.1746 32.1343 178.6297 91 K 4.0818 8.5118 120.4652 59.4142 32.1495 178.1472 92 Y 4.2965 7.8979 120.7823 60.2130 38.7146 178.2886 93 I 3.0922 7.8617 120.5547 64.3408 36.7826 178.2025 94 D 4.2851 8.5577 119.9895 57.3133 40.6088 178.6925 95 D 4.2099 8.6519 119.6889 57.3352 40.9838 179.0003 96 V 3.4325 7.9365 118.7646 66.1066 31.3666 178.0593 97 F 4.2369 8.0644 116.0897 60.9770 39.0097 177.5056 98 T 4.2280 7.6033 115.1457 66.7654 68.0623 176.3895 99 E 4.1793 8.1657 120.0868 58.8305 29.9457 178.3586 100 G 3.8713 8.2554 104.2707 42.6180 0.0000 172.7079 101 H 3.2020 7.4556 122.2113 57.1269 30.1493 174.7985 102 G 3.8756 8.7822 116.1043 45.1957 0.0000 173.5128 103 T 4.3846 7.6361 106.5097 63.2352 70.7727 176.2199 104 L 4.2231 8.3736 123.4885 56.1714 42.3986 176.5367 105 Y 5.0037 7.3171 114.2185 55.6428 40.8012 175.1841 106 A 4.1331 8.8983 125.7006 54.1494 20.8291 177.7198 107 S 4.6438 8.0137 112.2094 58.8726 69.9324 175.8519 *118 K 4.3325 8.5958 117.7667 55.0738 33.9687 174.4063 119 Y 3.9848 8.4776 120.8160 59.7883 38.7499 176.3308 120 G 3.6104 8.3535 114.8577 45.2223 0.0000 173.5338 121 S 4.4718 7.2853 112.6861 58.0025 63.2840 174.5013 122 G 4.3270 6.7417 107.1588 45.8908 0.0000 174.3424 123 G 4.1501 7.7549 107.2157 46.3337 0.0000 173.8581 124 L 4.8114 8.8431 118.9315 53.4819 44.5819 177.8326 125 V 4.6334 7.6133 113.7863 60.3419 32.4396 175.7028 126 Q 5.0672 7.5218 116.8279 56.9339 29.0848 175.1616 127 G 4.0932 8.5714 111.6967 46.1708 0.0000 174.9903 128 K 4.2559 7.5415 117.6352 56.1573 32.8381 177.0311 129 K 5.1587 9.1433 122.1134 55.2020 36.2162 174.9127 130 Y 6.1307 8.2202 118.6890 55.1782 42.1608 173.3354 *132 L 4.5399 8.3087 117.2109 55.0262 43.6182 176.3142 133 S 5.0031 9.1547 117.5981 56.8149 64.9300 172.5518 134 L 5.0660 8.9649 127.8170 52.9642 45.3868 175.8001 135 T 4.9039 8.2476 110.1654 59.8107 71.8362 172.5117 136 W 5.2581 9.2788 135.0000 55.6172 34.4685 175.2511 137 N 4.5412 9.0493 124.0806 56.6653 39.7954 175.1167 138 A 4.6724 9.1855 120.0057 50.3284 20.1429 176.1326 139 P 4.9792 0.0000 0.0000 62.2926 30.3981 179.5893 *141 E 4.3556 9.1720 114.2456 56.0478 30.8664 177.4736 142 A 4.2394 8.1011 121.6806 53.8431 18.8118 178.9491 143 F 4.6274 8.3273 114.0154 58.7154 40.0006 177.6833 144 T 4.2404 7.8874 109.7534 62.7632 69.9728 174.4040 145 E 4.2977 8.2265 123.1541 55.5228 29.2631 177.7418 146 K 3.7992 8.8999 124.6401 59.1829 32.2933 177.9304 147 D 4.7492 8.0513 115.5411 53.2964 39.3830 175.7945 148 Q 4.5030 7.9527 120.6254 54.1710 31.0246 176.3314 149 F 3.9082 8.4406 120.5646 61.5768 39.4074 176.1582 150 F 4.6024 7.7498 117.0520 56.9365 38.6709 175.7135 151 H 4.3928 8.5314 115.2874 55.4000 26.6600 175.3214 152 G 4.0512 8.4568 103.5795 46.6765 0.0000 176.1159 153 V 3.6487 7.9836 114.0988 62.1543 31.9385 177.8192 154 G 4.0729 8.2769 105.0507 45.3379 0.0000 174.5918 155 V 2.8996 8.1035 117.4382 66.1921 31.0520 177.9782 156 D 4.6896 8.0359 116.3360 56.9977 41.0167 178.7104 157 G 3.7482 7.9190 106.2447 47.8484 0.0000 175.8593 158 V 3.6145 7.6900 119.7569 65.2646 31.5955 176.6233 159 Y 4.4359 7.7866 114.9851 57.7071 37.8033 176.8435 160 L 4.1161 7.8039 124.8043 58.1220 42.1210 177.4916 161 P 4.2674 0.0000 0.0000 65.7458 31.0448 178.1499 162 F 3.7573 8.2332 119.9115 61.2804 39.3710 176.4857 163 H 4.3671 8.7296 116.1180 59.2291 28.6263 177.9938 164 K 4.0614 8.5528 120.0243 59.2043 31.5762 179.2645 165 A 3.9324 7.7328 120.4989 55.3161 18.4329 179.1703 166 N 4.4227 7.6791 114.8551 56.4828 38.5181 177.6982 167 Q 4.1283 8.3313 119.3358 58.2678 28.5260 178.3411 168 F 3.9912 8.0085 121.6421 60.9461 39.7630 176.3779 169 L 4.2672 7.7208 117.2667 54.8670 42.8682 176.5552 170 G 4.1132 7.7803 108.3878 45.8389 0.0000 172.0888 *172 E 4.7428 7.7365 119.9388 55.8180 31.7989 174.3123 173 P 4.0617 0.0000 0.0000 62.4336 32.4188 175.3803 174 L 4.6855 7.7952 121.5372 51.8905 44.6577 174.6919 175 P 4.2023 0.0000 0.0000 63.5841 31.6323 176.7511 176 T 4.3725 8.4606 119.9729 63.6091 69.3678 173.5286 177 F 4.8175 9.0482 127.1436 56.5137 42.4546 173.8002 178 I 4.7335 6.7344 123.3477 59.3535 41.3464 173.5382 179 A 4.3565 8.5913 130.4734 50.2956 20.6025 175.7271 180 N 5.0159 8.7306 119.5147 52.0194 40.9202 174.4448 181 D 5.1860 8.4533 117.0868 54.6399 40.1538 175.3396 182 V 3.9754 7.8043 109.8380 62.8350 31.7711 177.6764 183 I 4.1715 6.8074 119.9310 63.3232 37.9852 177.7586 184 K 4.1247 7.7852 116.4352 56.7771 31.3205 175.4386 *186 P 4.3646 0.0000 0.0000 62.8611 32.9394 175.6630 187 D 4.6173 8.0632 114.7000 52.5356 42.8535 176.6656 188 V 3.8073 7.4719 124.7186 66.0860 31.9997 174.8952 189 P 4.1576 0.0000 0.0000 65.6994 31.0549 178.5606 190 R 3.8488 7.9204 117.0031 59.6597 29.9714 178.2105 191 Y 4.5574 7.8204 116.7971 61.3902 37.7828 178.6338 192 T 3.9769 8.9048 117.3907 66.7137 68.6367 176.2511 193 E 3.9441 8.2914 121.0220 59.4461 29.7540 178.5781 194 E 4.1342 8.6971 119.0011 59.7741 29.5211 178.8559 195 Y 3.3062 8.3433 119.6104 60.2049 38.7591 177.6295 196 R 3.6308 8.1703 119.8597 59.3601 30.1861 178.6880 197 K 3.9747 8.0722 118.3015 59.5609 31.6744 178.7476 198 H 4.1283 8.0901 118.0637 59.3545 29.7838 177.3660 199 L 4.1435 7.8824 120.7923 57.8456 41.4414 179.6964 200 V 3.6329 7.8977 118.2378 66.0508 31.2405 177.9756 201 E 4.0084 8.1168 117.3618 58.5943 29.2667 178.5423 202 I 3.9150 7.0411 118.3793 62.5305 38.0381 177.1270 203 F 4.7811 8.4696 115.2014 57.0381 39.3387 176.1436 204 G 3.7868 8.0593 113.8539 45.7074 0.0000 173.9369 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 H 8.39 5.68 0.00 3.15 3.37 0.00 5.68 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.68 4.78 0.00 3.16 3.16 0.00 5.72 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 9.77 4.05 0.00 3.06 2.96 0.00 6.01 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 *12 S 8.75 4.30 0.00 3.79 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 13 S 8.71 4.94 0.00 3.74 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 14 N 9.25 4.81 0.00 1.48 1.42 0.00 0.00 7.03 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.96 4.75 1.74 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 0.93 0.74 0.73 0.00 0.00 16 L 8.91 5.07 0.00 1.85 1.33 0.82 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.66 4.65 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.51 0.85 0.00 0.00 18 I 8.33 4.08 1.18 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.07 0.28 0.00 0.00 19 N 9.02 4.47 0.00 2.73 2.64 0.00 0.00 6.66 8.03 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 20 G 9.07 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.95 4.23 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 22 K 8.35 4.29 0.00 1.57 1.79 0.00 1.50 0.00 0.00 1.48 0.00 0.00 2.89 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.54 1.58 7.81 *32 N 7.86 4.77 0.00 2.81 2.86 0.00 0.00 7.06 8.08 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 33 D 8.08 4.37 0.00 2.73 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 34 T 7.82 4.03 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 1.26 0.00 0.00 35 L 7.89 4.10 0.00 1.59 1.55 0.78 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.05 3.92 4.42 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 1.19 0.00 0.00 37 E 8.15 3.95 0.00 2.23 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 2.33 2.54 0.00 38 V 7.99 3.57 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 1.09 0.00 0.00 1.04 0.00 0.00 39 A 8.16 3.74 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 40 D 8.29 4.31 0.00 2.81 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 41 G 8.18 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.92 3.82 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 1.11 0.00 0.00 43 L 8.23 4.09 0.00 1.55 1.52 0.45 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.90 4.52 0.00 1.94 1.97 0.00 3.13 0.00 0.00 3.26 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.62 0.00 45 D 7.91 4.61 0.00 2.88 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 46 L 7.61 4.55 0.00 1.87 1.72 1.00 1.03 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 47 G 8.05 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 48 H 7.64 4.70 0.00 3.20 3.35 0.00 5.79 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.67 5.32 0.00 2.86 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.50 5.24 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 0.91 0.00 0.00 0.97 0.00 0.00 51 R 9.04 4.69 0.00 1.57 1.57 0.00 2.21 0.00 0.00 2.49 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.78 0.00 52 I 8.26 5.12 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.85 0.86 0.00 0.00 53 V 8.30 4.48 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 0.73 0.00 0.00 1.11 0.00 0.00 54 R 8.61 4.66 0.00 1.74 1.91 0.00 3.22 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 55 A 8.84 4.04 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 56 D 7.60 4.53 0.00 2.43 2.56 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 57 S 7.59 4.75 0.00 4.01 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 58 D 8.30 4.35 0.00 2.60 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 6.91 4.29 0.00 3.33 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 60 D 8.58 4.91 0.00 2.75 2.64 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 61 V 8.63 3.68 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 0.92 0.00 0.00 0.98 0.00 0.00 62 K 8.08 3.94 0.00 1.99 1.89 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.49 7.81 63 A 8.19 4.05 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 64 E 8.41 4.10 0.00 2.08 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 2.60 2.27 0.00 65 V 8.07 3.70 2.30 0.00 0.00 0.00 0.00 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*84 G 7.58 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.54 4.24 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 86 P 0.00 4.19 0.00 1.26 0.49 0.00 3.29 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 1.27 0.74 0.00 87 W 8.80 4.39 0.00 3.66 3.42 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 88 T 6.56 3.26 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 -0.13 0.00 0.00 89 V 7.52 3.73 2.18 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 1.22 0.00 0.00 0.81 0.00 0.00 90 K 7.96 3.95 0.00 1.95 2.00 0.00 1.52 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.53 1.72 7.81 91 K 8.51 4.08 0.00 2.21 2.10 0.00 2.07 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.81 1.62 7.81 92 Y 7.90 4.30 0.00 3.22 3.18 0.00 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0.00 1.45 1.41 7.81 119 Y 8.48 3.98 0.00 3.00 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 0.00 120 G 8.35 3.61 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 0.00 0.00 0.00 121 S 7.29 4.47 0.00 3.84 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 0.00 122 G 6.74 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 0.00 0.00 0.00 0.00 123 G 7.75 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.84 4.81 0.00 1.87 1.74 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.61 4.63 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 1.07 0.00 0.00 126 Q 7.52 5.07 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.31 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 127 G 8.57 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0.00 1.05 0.00 0.00 154 G 8.28 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 0.00 0.00 0.00 155 V 8.10 2.90 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.09 0.00 0.00 156 D 8.04 4.69 0.00 2.69 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 0.00 157 G 7.92 3.75 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 0.00 0.00 0.00 158 V 7.69 3.61 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 0.61 0.00 0.00 0.28 0.00 0.00 159 Y 7.79 4.44 0.00 3.08 2.96 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 0.00 160 L 7.80 4.12 0.00 1.94 1.75 0.98 0.92 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 0.00 161 P 0.00 4.27 0.00 2.32 2.32 0.00 3.85 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 162 F 8.23 3.76 0.00 3.26 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 H 8.73 4.37 0.00 3.63 3.57 0.00 5.87 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 K 8.55 4.06 0.00 1.95 1.97 0.00 1.80 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.76 1.70 7.81 165 A 7.73 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 N 7.68 4.42 0.00 1.95 1.97 0.00 0.00 7.08 8.28 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 0.00 167 Q 8.33 4.13 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.61 2.73 0.00 168 F 8.01 3.99 0.00 3.06 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 7.72 4.27 0.00 1.81 1.61 0.70 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 170 G 7.78 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 0.00 0.00 0.00 0.00 *172 E 7.74 4.74 0.00 2.05 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 2.33 2.45 0.00 173 P 0.00 4.06 0.00 1.89 1.83 0.00 3.78 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.03 0.00 174 L 7.80 4.69 0.00 1.49 1.46 0.81 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 175 P 0.00 4.20 0.00 2.02 2.03 0.00 3.55 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.07 0.00 176 T 8.46 4.37 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 1.11 0.00 0.00 177 F 9.05 4.82 0.00 2.69 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 0.00 178 I 6.73 4.73 1.53 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.85 0.59 0.00 0.00 179 A 8.59 4.36 0.44 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 0.00 180 N 8.73 5.02 0.00 2.62 2.95 0.00 0.00 7.34 8.06 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 0.00 181 D 8.45 5.19 0.00 2.85 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 0.00 182 V 7.80 3.98 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 0.37 0.00 0.00 0.93 0.00 0.00 183 I 6.81 4.17 1.89 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 0.77 0.90 0.00 0.00 184 K 7.79 4.12 0.00 1.85 1.85 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.42 7.81 *186 P 0.00 4.36 0.00 2.11 2.11 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.42 0.00 187 D 8.06 4.62 0.00 2.37 1.69 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 0.00 188 V 7.47 3.81 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 1.10 0.00 0.00 1.04 0.00 0.00 189 P 0.00 4.16 0.00 2.16 2.09 0.00 3.54 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 190 R 7.92 3.85 0.00 1.88 1.69 0.00 3.14 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 191 Y 7.82 4.56 0.00 3.25 3.03 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 0.00 192 T 8.90 3.98 4.44 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 1.26 0.00 0.00 193 E 8.29 3.94 0.00 2.28 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 2.33 2.43 0.00 194 E 8.70 4.13 0.00 2.64 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 0.00 2.48 2.61 0.00 195 Y 8.34 3.31 0.00 2.41 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 0.00 196 R 8.17 3.63 0.00 1.99 1.99 0.00 3.12 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 1.56 1.59 0.00 197 K 8.07 3.97 0.00 1.92 1.87 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.69 7.81 198 H 8.09 4.13 0.00 3.50 3.43 0.00 5.59 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 0.00 199 L 7.88 4.14 0.00 1.66 1.59 0.11 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 200 V 7.90 3.63 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 1.02 0.00 0.00 0.94 0.00 0.00 201 E 8.12 4.01 0.00 2.07 1.94 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 2.56 2.48 0.00 202 I 7.04 3.92 1.47 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.39 -0.20 0.00 0.00 203 F 8.47 4.78 0.00 2.95 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 0.00 204 G 8.06 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.