NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.3837 8.3344 115.4123 58.1594 65.0670 173.6417 1 M 4.1673 7.7940 121.7572 54.3571 33.3763 173.5079 2 I 4.8029 9.1369 127.6761 59.6577 40.4685 174.7674 3 R 4.5540 9.0131 126.2478 55.2575 32.5716 175.5312 4 T 4.9953 8.3685 118.5193 62.5126 69.8757 173.9572 5 M 4.9788 8.9222 126.4006 52.7984 36.1021 175.0289 6 L 3.2912 8.7264 124.2049 55.5877 42.0362 176.4593 7 Q 4.4397 9.1889 129.4482 58.3638 30.3308 175.6983 8 G 4.0359 7.8495 104.2342 46.4881 0.0000 171.7997 9 K 5.0228 8.2866 117.7405 55.7170 36.5631 174.8855 10 L 4.9248 8.8533 122.7014 53.8600 43.4806 175.1982 11 H 4.8395 9.2779 125.9772 54.5421 31.0423 175.3164 12 R 3.8369 8.3028 126.8244 57.4265 27.2209 176.8161 13 V 3.7037 7.2764 110.2551 60.8318 33.5868 176.3989 14 K 4.8896 8.6446 124.6285 54.5799 33.7161 176.2795 15 V 3.9533 8.6825 128.4488 63.5959 31.8525 176.2406 16 T 4.4072 8.9367 118.1326 62.6058 70.4766 174.3059 17 H 4.9190 7.9679 121.0575 54.8051 33.7233 172.3506 18 A 5.1369 8.0637 126.4854 50.0645 21.3090 174.4888 19 D 4.1453 8.9827 125.2077 55.8731 41.5610 178.0817 *20 L 4.0680 8.3558 126.6430 56.6812 41.0900 174.8048 21 H 4.5198 7.5519 111.9411 56.2842 29.1370 175.1290 22 Y 3.7887 7.5585 119.2571 59.5670 35.8334 170.3453 23 E 4.3481 8.1586 115.5552 56.2510 31.1808 180.6660 24 G 4.2327 9.6300 105.7915 46.8347 0.0000 172.8674 25 S 4.3358 8.5032 111.2859 58.4385 65.5625 175.0508 26 A 3.1051 8.1566 124.1846 51.6545 17.0991 175.5118 27 C 5.1125 8.1615 117.8405 57.8165 33.6383 172.8105 28 A 4.9579 8.7548 129.0421 51.2028 20.2013 175.9752 29 I 4.9553 8.5819 122.7033 59.0775 41.7615 174.2295 30 D 4.2546 8.4549 125.7669 54.9462 41.2878 177.2674 31 Q 3.9657 8.8336 126.9117 59.7385 28.9948 178.5529 32 D 4.3948 8.5518 119.9550 57.4156 40.8453 178.8772 33 F 4.6515 8.0773 118.2920 60.5486 38.9859 177.6364 34 L 4.0687 8.0942 118.2040 58.0158 41.3249 179.1207 35 D 4.3519 8.3983 118.4674 57.5370 40.6067 178.8872 36 A 4.0221 7.9031 119.3696 54.6461 18.5324 178.6484 37 A 4.5068 8.3382 117.4145 51.6642 18.8309 178.5597 38 G 3.9754 7.3981 104.3232 46.0044 0.0000 173.7645 39 I 4.3789 7.5908 120.1474 60.1451 38.3206 175.5815 40 L 4.6546 8.9618 124.9252 52.5664 43.4283 175.8434 41 E 4.0908 8.5343 121.9594 58.1675 29.8253 176.8879 42 N 4.5496 9.4845 122.0785 53.4843 37.1211 173.8443 43 E 4.3492 8.0339 120.4219 55.3785 30.9724 175.8634 44 A 4.7645 8.7445 128.4411 52.5470 19.1844 176.7044 45 I 4.8195 8.7887 114.4723 59.2308 41.6434 173.7804 46 D 5.0254 8.8379 124.0794 52.7075 43.2923 175.2897 47 I 4.2664 8.1176 123.9432 58.9984 39.9515 174.4829 48 W 5.0523 8.5453 127.6165 54.9642 31.3409 174.8923 49 N 4.8811 9.4648 126.1916 52.6153 38.4635 175.7828 50 V 3.6554 8.6977 128.2323 66.3340 31.7989 177.8675 51 T 4.0718 8.4035 116.7784 66.0357 68.3992 174.8100 52 N 4.7962 8.3878 114.7168 51.9714 37.9747 175.5807 53 G 4.0151 8.5389 107.5518 45.4861 0.0000 174.1893 54 K 4.4065 8.6458 120.4991 56.4014 33.4257 176.2563 55 R 5.4885 8.7101 122.3224 54.5358 33.2259 174.6929 56 F 5.1434 8.8863 117.5935 55.8299 41.9392 173.2068 57 S 5.0683 8.6833 114.7485 57.2822 65.4782 174.0262 58 T 4.5229 8.6705 119.2303 61.7962 72.7889 171.7163 59 Y 5.1095 8.2398 116.2969 55.1568 42.3358 174.4805 60 A 4.9987 8.9674 122.8965 51.3231 20.5039 176.5685 61 I 5.0423 8.6175 114.1928 58.7737 41.5784 174.3752 62 A 4.6830 8.8923 125.2865 51.7903 19.2522 177.1861 63 A 4.5904 9.0247 124.2702 49.6500 22.4196 175.8493 64 E 4.0551 8.6326 119.3770 56.5850 30.5331 176.5029 65 R 4.0994 8.6271 126.5248 58.4073 30.2809 176.4765 66 G 3.9819 8.4790 113.9419 45.3534 0.0000 174.4097 67 S 4.0983 7.8157 113.8451 59.2163 63.2689 174.9913 68 R 3.6726 8.3313 118.3735 56.8961 28.2730 175.9268 69 I 3.9985 7.1503 119.0484 61.3890 38.5400 175.4705 70 I 4.8692 8.7607 126.5733 59.6938 40.1529 173.8198 71 S 5.1068 9.1874 123.0202 56.2846 65.0896 172.7247 72 V 4.5365 8.7487 127.9660 61.6210 32.8804 174.2032 73 N 5.1993 8.6086 125.0944 51.5727 42.5412 175.2432 74 G 4.1738 8.9818 106.8646 45.7876 0.0000 175.7745 75 A 4.0021 8.7312 120.0025 55.3429 18.2803 179.3247 76 A 3.6170 7.8160 118.1892 54.3778 18.1969 179.1727 77 A 4.0876 7.6845 117.8554 54.4907 18.5281 178.7697 78 H 4.3376 8.2994 113.9066 57.5285 28.8659 175.6071 79 C 4.6283 7.6845 116.0991 59.2909 29.6617 173.5185 80 A 4.9048 7.4270 120.6098 50.9681 21.9340 175.2990 81 S 4.7419 9.0903 115.6169 55.9634 66.8405 174.2437 82 V 3.9529 8.2238 121.9297 64.8824 31.4562 176.0180 83 G 4.0785 8.9212 115.9659 45.3240 0.0000 173.6792 84 D 4.5710 8.0583 119.8219 54.5023 42.2904 175.4874 85 I 4.7179 8.5869 123.2676 60.3504 38.9718 175.3967 86 V 5.0375 8.9212 119.5112 59.6289 36.3940 174.3665 87 I 4.8889 8.6605 123.2286 59.6794 39.9725 174.6510 88 I 4.5563 8.5072 127.5584 59.3302 39.5663 174.6036 89 A 5.1223 8.5688 128.7652 49.8807 22.5653 174.7227 90 S 5.0920 8.5195 114.3375 56.4860 66.4189 172.9911 91 F 5.2219 8.8399 119.0354 55.9232 42.0129 174.7441 92 V 4.7000 8.8056 114.7758 59.7723 35.9096 174.4920 93 T 5.5896 8.2987 111.6151 59.9159 71.2783 173.0316 94 M 4.5657 7.9564 118.3221 53.8847 34.4972 172.2856 95 P 4.7910 0.0000 0.0000 62.3573 32.5151 177.1243 96 D 4.3369 8.4224 119.6155 57.7103 40.7605 178.5892 97 E 3.9133 8.0635 117.8809 59.3351 29.9691 177.8304 98 E 4.1260 8.2362 118.6310 59.3457 29.7460 178.4253 99 A 4.1240 8.1866 120.7966 55.2427 18.1964 179.6707 100 R 4.1975 8.0753 115.6642 58.2255 30.1118 177.5805 101 T 4.6261 7.3895 106.8699 60.6540 69.2999 173.8023 102 W 4.2234 8.2117 134.2768 58.3135 31.1702 176.2264 103 R 4.2522 6.7540 123.0523 53.3067 31.0726 172.0889 104 P 4.6433 0.0000 0.0000 61.5721 32.6180 176.2204 105 N 4.5665 8.9336 120.7514 52.7353 39.4851 174.2966 106 V 4.6419 8.2900 123.7695 60.7289 34.1344 174.2803 107 A 4.5012 8.4017 129.3026 50.2884 21.3888 174.6837 108 Y 4.8890 8.1161 119.8346 56.4622 40.6678 174.8700 109 F 5.4760 8.5172 119.0466 56.0788 43.2527 173.6597 110 E 4.6417 9.2210 118.2564 54.6182 33.3944 177.0576 111 G 3.7959 8.7535 109.4254 47.3428 0.0000 175.7625 112 D 4.5902 8.7648 119.5814 54.5758 40.2796 175.4044 113 N 4.1745 7.8603 111.3113 54.2372 37.0071 175.2013 114 E 4.2885 8.4876 118.9988 55.5185 30.4439 174.6610 115 M 3.7362 8.5552 127.0309 55.9110 32.8200 175.8183 116 K 4.1325 8.7337 125.3585 57.0098 33.7452 176.0321 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 0 S 8.33 4.38 0.00 3.99 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 1 M 7.79 4.17 0.00 2.21 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.63 0.00 2 I 9.14 4.80 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.05 0.88 0.00 0.00 3 R 9.01 4.55 0.00 1.76 1.82 0.00 3.27 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 4 T 8.37 5.00 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 1.21 0.00 0.00 5 M 8.92 4.98 0.00 1.75 1.54 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 6 L 8.73 3.29 0.00 1.59 1.67 0.53 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 9.19 4.44 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 8 G 7.85 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.29 5.02 0.00 1.85 1.78 0.00 1.39 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 1.32 7.81 10 L 8.85 4.92 0.00 1.51 1.56 0.93 1.15 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 11 H 9.28 4.84 0.00 3.13 3.19 0.00 5.92 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.30 3.84 0.00 2.06 2.01 0.00 3.27 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.30 0.00 13 V 7.28 3.70 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.99 0.00 0.00 0.72 0.00 0.00 14 K 8.64 4.89 0.00 1.71 1.77 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.49 7.81 15 V 8.68 3.95 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 1.07 0.00 0.00 0.96 0.00 0.00 16 T 8.94 4.41 4.26 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 1.37 0.00 0.00 17 H 7.97 4.92 0.00 3.21 3.11 0.00 5.84 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 18 A 8.06 5.14 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 19 D 8.98 4.15 0.00 2.69 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.36 4.07 0.00 1.70 1.58 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 21 H 7.55 4.52 0.00 3.02 3.29 0.00 5.77 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.56 3.79 0.00 3.25 3.14 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 23 E 8.16 4.35 0.00 1.89 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 2.30 1.87 0.00 24 G 9.63 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 0.00 0.00 0.00 25 S 8.50 4.34 0.00 4.04 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 26 A 8.16 3.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 8.16 5.11 0.00 2.98 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 28 A 8.75 4.96 1.21 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 0.00 0.00 29 I 8.58 4.96 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 1.12 1.08 1.03 0.00 0.00 30 D 8.45 4.25 0.00 2.12 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.83 3.97 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 32 D 8.55 4.39 0.00 2.77 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 33 F 8.08 4.65 0.00 3.16 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 34 L 8.09 4.07 0.00 1.89 1.98 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.40 4.35 0.00 2.94 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 36 A 7.90 4.02 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 37 A 8.34 4.51 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.40 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 39 I 7.59 4.38 1.89 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 1.28 0.77 0.92 0.00 0.00 40 L 8.96 4.65 0.00 1.69 1.59 0.94 0.63 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 41 E 8.53 4.09 0.00 1.95 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 2.33 2.41 0.00 42 N 9.48 4.55 0.00 2.89 2.92 0.00 0.00 6.98 7.55 0.00 0.00 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 E 8.03 4.35 0.00 2.16 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 2.33 2.29 0.00 44 A 8.74 4.76 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 45 I 8.79 4.82 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.67 0.93 0.00 0.00 46 D 8.84 5.03 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.12 4.27 0.56 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.21 0.65 0.00 0.00 48 W 8.55 5.05 0.00 3.34 2.93 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 49 N 9.46 4.88 0.00 2.94 3.08 0.00 0.00 6.43 7.64 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 50 V 8.70 3.66 2.24 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 0.83 0.00 0.00 1.00 0.00 0.00 51 T 8.40 4.07 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 1.29 0.00 0.00 52 N 8.39 4.80 0.00 2.84 2.92 0.00 0.00 7.15 7.03 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 53 G 8.54 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 0.00 0.00 0.00 54 K 8.65 4.41 0.00 1.98 1.92 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.58 7.81 55 R 8.71 5.49 0.00 1.80 2.11 0.00 3.20 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.89 0.00 56 F 8.89 5.14 0.00 3.07 3.11 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 57 S 8.68 5.07 0.00 3.79 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 58 T 8.67 4.52 4.39 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 1.23 0.00 0.00 59 Y 8.24 5.11 0.00 3.11 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 60 A 8.97 5.00 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 61 I 8.62 5.04 2.02 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 1.10 0.68 1.07 0.00 0.00 62 A 8.89 4.68 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 63 A 9.02 4.59 1.15 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 64 E 8.63 4.06 0.00 2.02 1.82 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 2.34 2.31 0.00 65 R 8.63 4.10 0.00 1.77 1.82 0.00 3.29 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.63 0.00 66 G 8.48 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 67 S 7.82 4.10 0.00 3.94 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 68 R 8.33 3.67 0.00 2.00 2.27 0.00 3.27 0.00 0.00 3.76 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.64 0.00 69 I 7.15 4.00 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.00 0.94 0.00 0.00 70 I 8.76 4.87 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.04 0.89 0.00 0.00 71 S 9.19 5.11 0.00 3.85 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 72 V 8.75 4.54 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 1.01 0.00 0.00 1.02 0.00 0.00 73 N 8.61 5.20 0.00 2.78 2.90 0.00 0.00 6.52 7.80 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 74 G 8.98 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 0.00 0.00 0.00 0.00 75 A 8.73 4.00 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 76 A 7.82 3.62 1.27 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 0.00 0.00 77 A 7.68 4.09 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 78 H 8.30 4.34 0.00 3.14 3.24 0.00 5.61 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 79 C 7.68 4.63 0.00 2.01 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.43 4.90 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 81 S 9.09 4.74 0.00 3.83 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 82 V 8.22 3.95 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 0.77 0.00 0.00 0.93 0.00 0.00 83 G 8.92 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 84 D 8.06 4.57 0.00 2.75 2.77 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 85 I 8.59 4.72 1.89 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 1.24 0.93 0.92 0.00 0.00 86 V 8.92 5.04 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 0.96 0.00 0.00 0.93 0.00 0.00 87 I 8.66 4.89 2.17 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.87 1.13 0.00 0.00 88 I 8.51 4.56 1.74 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.66 0.77 0.00 0.00 89 A 8.57 5.12 0.70 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 0.00 0.00 90 S 8.52 5.09 0.00 4.08 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 91 F 8.84 5.22 0.00 2.89 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 92 V 8.81 4.70 1.91 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 0.75 0.00 0.00 0.50 0.00 0.00 93 T 8.30 5.59 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 1.19 0.00 0.00 94 M 7.96 4.57 0.00 1.82 2.21 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 95 P 0.00 4.79 0.00 2.20 2.01 0.00 3.72 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 2.10 2.06 0.00 96 D 8.42 4.34 0.00 2.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.06 3.91 0.00 2.02 1.98 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 2.32 2.39 0.00 98 E 8.24 4.13 0.00 2.11 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 2.52 2.52 0.00 99 A 8.19 4.12 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 0.00 100 R 8.08 4.20 0.00 2.02 2.05 0.00 3.13 0.00 0.00 3.30 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 101 T 7.39 4.63 4.27 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 1.25 0.00 0.00 102 W 8.21 4.22 0.00 3.56 3.23 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 0.00 103 R 6.75 4.25 0.00 1.82 1.67 0.00 3.32 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.17 0.00 104 P 0.00 4.64 0.00 1.90 2.21 0.00 3.53 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 2.07 2.40 0.00 105 N 8.93 4.57 0.00 2.74 2.93 0.00 0.00 6.57 7.21 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 0.00 106 V 8.29 4.64 1.86 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 -0.17 0.00 0.00 0.84 0.00 0.00 107 A 8.40 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Y 8.12 4.89 0.00 2.81 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 0.00 109 F 8.52 5.48 0.00 3.04 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 0.00 110 E 9.22 4.64 0.00 2.05 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 2.22 2.31 0.00 111 G 8.75 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 0.00 112 D 8.76 4.59 0.00 2.67 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 7.86 4.17 0.00 3.00 3.00 0.00 0.00 7.15 7.66 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 0.00 114 E 8.49 4.29 0.00 2.10 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 0.00 2.31 2.30 0.00 115 M 8.56 3.74 0.00 1.94 1.79 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.24 0.00 116 K 8.73 4.13 0.00 1.86 2.10 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.24 1.27 7.81 * Residues marked with a * may have inaccurate shift predictions.