NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 S 4.4672 8.1814 115.4166 57.7628 64.5505 174.4052 18 G 3.4111 8.4846 108.0701 46.7996 0.0000 174.3769 19 L 3.9173 8.0071 122.3440 58.0854 42.6966 176.8681 20 E 3.9153 8.1778 119.2367 59.3731 29.4892 178.2834 21 D 4.2661 8.2586 118.0649 57.3351 41.3110 178.4285 22 K 3.9566 8.3997 119.4317 59.2870 31.9911 179.6117 23 V 3.5433 7.9606 118.8158 65.6852 31.3288 178.0253 24 S 3.6884 8.0246 112.9715 61.3496 62.1596 176.4203 25 K 4.1043 8.1877 121.2049 59.2223 31.2074 179.2012 26 Q 3.9065 8.0097 119.9940 59.1798 29.0490 178.3920 27 L 3.9770 7.6986 119.9297 57.7249 41.5779 179.2457 28 E 4.1665 8.5335 119.1073 59.6650 29.2922 179.6325 29 S 4.2706 8.2126 112.8881 60.7548 62.8996 175.3896 30 K 4.4012 7.5137 120.0668 55.2652 32.1124 176.3492 31 G 3.9466 8.2328 105.6371 47.0628 0.0000 173.8688 32 I 3.9339 7.9610 123.4730 61.4225 37.7850 178.5441 33 K 4.3258 8.5287 129.5759 53.5075 29.8822 172.8058 34 F 4.9146 7.6696 118.2549 55.6078 40.1356 175.8088 35 E 4.6004 8.8292 120.4853 54.6643 31.6586 174.9718 36 Y 4.8139 8.7184 124.3954 57.0033 39.9547 174.8567 37 E 3.6379 8.4334 127.5739 57.2748 27.2799 175.3640 38 E 3.9798 8.1681 118.8099 56.4356 30.5125 175.6045 39 W 4.8385 7.8779 117.4026 54.5815 32.0764 174.4905 40 K 4.5425 8.8119 121.7193 54.6064 33.4208 175.8279 41 V 4.3127 8.3074 123.2666 60.5477 32.4344 173.4911 42 P 4.6685 0.0000 0.0000 62.5110 32.1168 175.0865 43 Y 4.9127 7.8143 117.8323 55.8314 40.8061 174.0203 44 V 4.2450 8.2990 119.7229 61.0130 33.9959 174.7181 45 I 4.3714 8.1002 127.5196 59.0839 37.9976 174.1206 46 P 4.3646 0.0000 0.0000 61.9524 31.8781 176.2309 47 A 4.2262 8.3751 123.6878 52.6518 18.8992 177.2648 48 S 4.7176 8.1682 113.0148 56.5963 66.2281 173.1783 49 N 4.8791 8.4701 119.2979 52.4286 39.8548 174.0390 50 H 4.9685 8.3681 117.9924 54.7260 33.2683 172.4201 51 T 4.7574 8.2561 109.1879 60.0846 71.4444 172.6360 52 Y 4.7261 8.4917 123.3926 56.1475 41.2562 174.8211 53 T 4.0482 8.0556 123.8097 60.7040 69.2063 172.2975 54 P 4.3050 0.0000 0.0000 61.6848 32.0376 176.6044 55 D 4.2197 8.9951 122.4521 57.1073 41.1244 176.6671 56 F 5.0525 8.7116 117.1003 55.4180 43.1945 173.5315 57 L 4.8432 8.5052 122.2918 53.3533 44.5164 175.6293 58 L 4.5350 8.9409 126.3810 52.7602 43.2901 175.8992 59 P 4.1162 0.0000 0.0000 66.0095 31.5330 177.0665 60 N 4.5845 8.0921 112.8657 52.9514 37.2923 175.9196 61 G 3.8303 8.5359 109.3661 45.5482 0.0000 174.7053 62 I 3.7664 7.4642 120.5703 61.7595 38.2975 175.1002 63 F 5.0650 9.4801 125.9934 56.1541 41.2085 175.0278 64 V 4.9822 9.3574 122.7105 61.1782 34.3815 173.5186 65 E 5.1824 9.6753 129.7951 54.7931 31.3102 174.5820 66 T 4.6739 9.0728 118.5619 60.9897 70.3637 174.3024 67 K 4.4958 9.2378 126.1880 55.3415 36.0674 174.0173 68 G 4.0553 9.0822 114.7486 45.3854 0.0000 176.6008 69 L 4.4623 9.2165 120.7168 54.5550 42.9738 175.3671 70 W 4.7412 9.5494 135.0000 55.2204 30.9384 176.0668 71 E 4.1357 8.3929 124.0302 57.3825 31.2818 175.6625 72 S 3.9432 8.4380 113.3708 62.4803 62.3479 176.6317 73 D 4.2860 7.8676 120.4379 56.9072 40.6521 178.1393 74 D 4.2295 7.6445 118.6145 57.1560 41.4538 178.2794 75 R 3.1150 7.0704 118.4759 58.7698 29.8589 179.0892 76 K 3.8803 7.7532 118.2409 59.2985 32.0317 179.0666 77 K 3.7688 8.1185 120.0091 60.0605 32.0198 178.4887 78 H 4.0182 8.1141 115.9084 58.7925 28.6273 177.8612 79 L 4.0852 7.8810 120.5118 57.5278 41.3609 179.5423 80 L 3.9639 8.0129 119.0735 57.9370 41.6202 179.6075 81 I 3.7776 7.9867 122.2153 64.9111 36.7388 179.4338 82 R 3.9875 7.7805 120.8370 61.4425 29.3513 180.6320 83 E 4.2654 8.0831 119.2537 58.9056 29.7096 178.3470 84 Q 4.2195 8.2879 117.3034 57.2266 30.5092 175.9611 85 H 5.0347 8.5308 116.6639 53.3698 29.4376 172.5392 86 P 4.3268 0.0000 0.0000 65.7823 32.0589 179.0226 87 E 4.1721 8.1745 113.6598 58.5254 29.9477 183.1047 88 L 4.2490 7.9551 118.4182 54.7242 42.3318 176.4817 89 D 4.8513 8.7721 121.6375 52.6737 42.7611 173.6799 90 I 5.1293 8.2965 125.5162 59.4564 39.4580 175.2384 91 R 4.8806 9.3535 125.5066 54.3274 34.4147 174.5760 92 I 4.8553 8.6181 120.2555 59.5278 41.0552 175.0117 93 V 4.7289 8.5956 126.7709 61.3765 33.3382 174.6877 94 F 5.1965 9.1231 127.5478 56.6207 40.7868 177.5457 95 S 4.2542 9.1686 117.7493 61.6411 64.2483 174.6801 96 S 4.5810 8.0314 115.6992 57.3373 63.5823 174.4109 97 S 3.8150 9.6512 124.0530 59.8484 63.0704 176.1794 98 R 4.2451 7.3041 118.3434 57.7235 30.5274 177.0623 99 T 3.5959 7.1288 115.0503 63.7941 68.8795 173.6226 100 K 4.5037 7.9127 123.9022 55.4239 33.2650 176.9871 101 L 4.3429 8.1872 123.0821 57.9558 41.8563 177.3830 102 Y 4.8571 7.1775 115.9575 56.6260 40.7519 177.1240 103 K 4.4641 8.2275 122.8039 57.5494 32.2856 178.4109 104 G 4.0533 8.1609 105.4833 44.7798 0.0000 173.7913 105 S 3.5161 7.7077 115.6631 58.1151 62.4477 171.9215 106 P 4.7048 0.0000 0.0000 62.5415 31.5778 174.9641 107 T 4.5706 7.5728 112.7135 59.9303 70.5862 173.1955 108 S 5.0509 8.0024 121.5531 56.9554 66.3814 175.0819 109 Y 4.5451 8.1230 120.1448 61.4370 37.5063 179.4394 110 G 2.7656 8.1388 106.7370 47.5032 0.0000 175.5439 111 E 4.0116 8.1474 120.9363 59.0093 29.5385 179.0527 112 F 4.1163 8.4598 120.7370 61.7289 39.5223 176.8496 113 C 4.3067 8.5532 116.4115 63.0111 27.8887 176.1263 114 E 4.1818 8.4819 122.4721 60.1051 28.9268 180.2641 115 K 4.0786 8.0745 122.1268 58.8964 31.6684 179.0390 116 H 4.8341 7.3426 112.0254 55.4204 29.1583 174.2633 117 G 3.9245 7.9116 106.4698 46.6411 0.0000 173.6186 118 I 4.4915 8.1913 120.7313 59.3746 38.6803 176.0872 119 K 4.6102 8.6929 126.8322 56.3794 33.2832 175.9671 120 F 5.8292 8.6834 117.7394 56.3720 41.5348 172.3131 121 A 4.5463 9.2284 120.0635 51.4151 22.9567 174.5093 122 D 5.3624 8.2760 117.2501 53.9397 43.7831 176.8757 123 K 4.1012 9.6607 125.9897 57.4514 31.3005 175.8592 124 L 4.6812 7.0997 113.4995 52.7085 45.8640 175.6643 125 I 3.5594 7.8624 120.7062 59.9972 37.5882 174.8878 126 P 4.0352 0.0000 0.0000 62.1068 32.0607 177.3789 127 A 3.9489 8.3852 123.0728 55.3260 18.1039 179.9862 128 E 4.0185 8.1386 115.8320 59.3042 29.6477 179.4386 129 W 4.7901 7.8911 120.5449 59.5763 29.0484 178.5504 130 I 3.8204 8.1114 120.3536 64.8104 36.6296 178.2107 131 K 4.3332 7.7000 121.1670 56.2848 32.2189 180.2576 132 E 4.3849 7.8077 119.5937 56.2361 30.0983 174.7717 133 P 4.2571 0.0000 0.0000 62.4875 31.8447 176.3576 134 K 4.0604 8.8058 126.9054 57.7414 32.5260 176.3947 135 K 4.7726 9.1473 132.2338 53.8995 35.2968 174.2425 136 E 4.3810 8.7820 120.1143 57.2604 30.7908 177.8833 137 V 4.2412 8.3995 124.8098 58.1959 33.0369 173.0636 138 P 4.7524 0.0000 0.0000 61.7316 28.2550 174.7139 *139 F 4.2752 8.0917 124.1894 59.6494 38.8587 179.3161 140 D 4.4231 8.1707 117.1202 56.8959 39.5639 182.6035 141 R 4.1253 7.9882 119.3999 57.3942 30.2170 175.9898 142 L 4.6577 7.7571 118.9827 53.5652 43.8484 181.4399 143 K 4.5653 8.2727 119.6220 54.2998 34.0691 175.1343 144 R 4.0617 8.7296 126.0678 55.6051 29.8671 173.8947 145 K 4.2552 8.6070 123.6500 53.9203 31.7218 173.5239 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 17 S 8.18 4.47 0.00 4.03 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 18 G 8.48 3.41 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 0.00 19 L 8.01 3.92 0.00 1.76 1.67 0.91 0.87 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 20 E 8.18 3.92 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 21 D 8.26 4.27 0.00 2.79 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 22 K 8.40 3.96 0.00 1.91 1.81 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.61 7.81 23 V 7.96 3.54 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 0.87 0.00 0.00 0.93 0.00 0.00 24 S 8.02 3.69 0.00 3.83 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 25 K 8.19 4.10 0.00 1.94 1.83 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.44 1.60 7.81 26 Q 8.01 3.91 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 27 L 7.70 3.98 0.00 1.32 1.57 0.26 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.53 4.17 0.00 2.19 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 2.83 0.00 29 S 8.21 4.27 0.00 4.01 4.16 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 30 K 7.51 4.40 0.00 1.97 1.87 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.49 7.81 31 G 8.23 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 0.00 0.00 0.00 0.00 32 I 7.96 3.93 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.89 1.03 0.00 0.00 33 K 8.53 4.33 0.00 1.78 1.64 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 0.99 7.81 34 F 7.67 4.91 0.00 3.20 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 35 E 8.83 4.60 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 36 Y 8.72 4.81 0.00 3.19 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 37 E 8.43 3.64 0.00 1.59 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 0.00 1.74 1.47 0.00 38 E 8.17 3.98 0.00 1.77 1.78 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 2.13 1.47 0.00 39 W 7.88 4.84 0.00 3.33 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 40 K 8.81 4.54 0.00 1.79 1.77 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.38 7.81 41 V 8.31 4.31 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 0.88 0.00 0.00 0.99 0.00 0.00 42 P 0.00 4.67 0.00 2.12 1.97 0.00 3.80 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 43 Y 7.81 4.91 0.00 3.02 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 44 V 8.30 4.25 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 0.85 0.00 0.00 0.92 0.00 0.00 45 I 8.10 4.37 1.87 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.77 0.95 0.00 0.00 46 P 0.00 4.36 0.00 2.05 2.00 0.00 3.72 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 2.05 2.11 0.00 47 A 8.38 4.23 1.24 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 0.00 0.00 0.00 48 S 8.17 4.72 0.00 3.93 3.81 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 49 N 8.47 4.88 0.00 2.69 2.76 0.00 0.00 6.74 8.16 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 50 H 8.37 4.97 0.00 3.06 3.21 0.00 5.84 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 51 T 8.26 4.76 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 1.22 0.00 0.00 52 Y 8.49 4.73 0.00 2.77 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 53 T 8.06 4.05 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 1.08 0.00 0.00 54 P 0.00 4.31 0.00 2.12 2.01 0.00 3.39 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.22 0.00 55 D 9.00 4.22 0.00 2.93 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 0.00 0.00 0.00 0.00 56 F 8.71 5.05 0.00 3.00 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 57 L 8.51 4.84 0.00 1.37 1.41 -0.21 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.94 4.54 0.00 1.77 1.72 0.96 1.04 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 59 P 0.00 4.12 0.00 2.01 2.13 0.00 3.66 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 2.03 2.09 0.00 60 N 8.09 4.58 0.00 2.85 3.02 0.00 0.00 6.40 7.30 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 61 G 8.54 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 62 I 7.46 3.77 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 1.23 0.62 0.81 0.00 0.00 63 F 9.48 5.06 0.00 3.19 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 64 V 9.36 4.98 2.29 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 1.20 0.00 0.00 1.18 0.00 0.00 65 E 9.68 5.18 0.00 2.30 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 2.28 2.21 0.00 66 T 9.07 4.67 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 67 K 9.24 4.50 0.00 1.33 1.25 0.00 1.50 0.00 0.00 1.54 0.00 0.00 3.31 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.90 1.58 7.81 68 G 9.08 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.22 4.46 0.00 1.75 1.72 1.12 0.98 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 70 W 9.55 4.74 0.00 2.56 1.81 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 71 E 8.39 4.14 0.00 2.01 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 2.32 1.94 0.00 72 S 8.44 3.94 0.00 3.76 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 73 D 7.87 4.29 0.00 2.65 2.62 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 74 D 7.64 4.23 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.07 3.12 0.00 1.25 0.75 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 76 K 7.75 3.88 0.00 1.86 1.78 0.00 1.72 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.51 7.81 77 K 8.12 3.77 0.00 1.75 1.91 0.00 1.35 0.00 0.00 1.52 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 1.32 7.81 78 H 8.11 4.02 0.00 3.71 3.55 0.00 5.87 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 79 L 7.88 4.09 0.00 1.86 1.70 0.83 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.01 3.96 0.00 1.82 1.67 0.87 0.63 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 81 I 7.99 3.78 1.81 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 1.41 0.57 0.96 0.00 0.00 82 R 7.78 3.99 0.00 1.93 1.85 0.00 3.27 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 1.58 1.51 0.00 83 E 8.08 4.27 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 84 Q 8.29 4.22 0.00 1.86 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.09 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 85 H 8.53 5.03 0.00 3.14 3.14 0.00 5.64 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 86 P 0.00 4.33 0.00 2.05 2.15 0.00 3.70 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 2.04 2.31 0.00 87 E 8.17 4.17 0.00 1.99 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 0.00 2.23 1.90 0.00 88 L 7.96 4.25 0.00 1.72 1.62 0.77 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.77 4.85 0.00 2.71 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 90 I 8.30 5.13 1.98 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 1.33 0.80 1.15 0.00 0.00 91 R 9.35 4.88 0.00 1.39 1.53 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.35 0.00 92 I 8.62 4.86 1.28 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.81 -0.65 0.00 0.00 93 V 8.60 4.73 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 0.89 0.00 0.00 0.91 0.00 0.00 94 F 9.12 5.20 0.00 3.22 3.09 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 95 S 9.17 4.25 0.00 3.92 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 96 S 8.03 4.58 0.00 3.82 3.68 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 S 9.65 3.82 0.00 3.89 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 7.30 4.25 0.00 1.79 1.95 0.00 3.19 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 99 T 7.13 3.60 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 0.82 0.00 0.00 100 K 7.91 4.50 0.00 1.56 1.48 0.00 1.89 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.26 7.81 101 L 8.19 4.34 0.00 1.20 1.80 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.18 4.86 0.00 3.15 3.02 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 0.00 103 K 8.23 4.46 0.00 1.81 1.73 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.07 7.81 104 G 8.16 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 S 7.71 3.52 0.00 2.72 3.19 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 0.00 106 P 0.00 4.70 0.00 2.18 2.09 0.00 3.62 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 107 T 7.57 4.57 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 1.18 0.00 0.00 108 S 8.00 5.05 0.00 4.26 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 0.00 109 Y 8.12 4.55 0.00 2.39 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 0.00 110 G 8.14 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 0.00 0.00 0.00 111 E 8.15 4.01 0.00 2.25 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 0.00 2.35 2.32 0.00 112 F 8.46 4.12 0.00 3.22 3.49 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 0.00 0.00 0.00 0.00 113 C 8.55 4.31 0.00 2.74 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 0.00 114 E 8.48 4.18 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.90 0.00 115 K 8.07 4.08 0.00 1.86 1.73 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.35 7.81 116 H 7.34 4.83 0.00 2.87 3.17 0.00 5.74 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 0.00 117 G 7.91 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 0.00 0.00 0.00 118 I 8.19 4.49 2.09 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.77 1.05 0.00 0.00 119 K 8.69 4.61 0.00 1.48 1.59 0.00 1.35 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.40 7.81 120 F 8.68 5.83 0.00 3.46 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 0.00 121 A 9.23 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.28 5.36 0.00 2.57 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 0.00 123 K 9.66 4.10 0.00 1.82 1.91 0.00 1.67 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.53 7.81 124 L 7.10 4.68 0.00 1.42 1.38 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 125 I 7.86 3.56 1.74 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.29 0.95 0.00 0.00 126 P 0.00 4.04 0.00 1.18 1.66 0.00 2.20 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.44 0.00 127 A 8.39 3.95 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 0.00 128 E 8.14 4.02 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 129 W 7.89 4.79 0.00 3.44 3.18 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 0.00 0.00 0.00 0.00 130 I 8.11 3.82 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.53 0.92 0.00 0.00 131 K 7.70 4.33 0.00 1.87 1.70 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.37 1.34 7.81 132 E 7.81 4.38 0.00 2.19 1.89 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 2.35 2.64 0.00 133 P 0.00 4.26 0.00 2.03 2.00 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 134 K 8.81 4.06 0.00 1.75 1.72 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.42 7.81 135 K 9.15 4.77 0.00 1.50 1.53 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.28 1.22 7.81 136 E 8.78 4.38 0.00 1.74 1.77 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 2.20 1.88 0.00 137 V 8.40 4.24 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 0.89 0.00 0.00 0.93 0.00 0.00 138 P 0.00 4.75 0.00 1.99 2.00 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.58 0.00 *139 F 8.09 4.28 0.00 2.20 2.33 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 0.00 140 D 8.17 4.42 0.00 2.69 2.62 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 0.00 141 R 7.99 4.13 0.00 1.79 2.04 0.00 3.17 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 142 L 7.76 4.66 0.00 1.68 1.42 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 143 K 8.27 4.57 0.00 1.72 1.58 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.23 0.95 7.81 144 R 8.73 4.06 0.00 1.82 1.77 0.00 3.24 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 145 K 8.61 4.26 0.00 1.77 1.61 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.36 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.