NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.3179 8.1227 122.4509 51.9398 20.2798 174.9172 4 V 4.4021 8.3731 122.3107 62.2419 32.8920 173.5319 5 T 4.8028 9.7659 125.7628 61.8133 72.5145 172.7067 6 Q 4.3990 8.5104 122.9399 55.0578 30.9842 174.4885 7 S 4.0300 8.9426 119.7216 61.2457 62.2723 172.8039 8 P 4.5081 0.0000 0.0000 62.5791 32.7323 177.4558 9 R 4.3857 8.5246 120.7633 55.5401 30.2004 175.4043 10 N 4.5687 7.0290 113.5946 53.1551 42.8520 173.6669 11 K 4.7724 8.7420 126.8567 54.8345 36.4317 174.8067 12 V 4.9978 8.2553 122.7318 61.3952 34.9476 174.3109 13 A 4.6915 8.5293 126.0712 50.6680 22.9363 175.6262 14 V 4.1361 8.4845 120.6347 62.4153 32.6626 175.6406 15 T 3.6583 8.7124 122.5844 64.1473 69.5709 173.6773 16 G 4.1322 7.9344 112.7247 47.3186 0.0000 173.8280 17 G 3.7883 7.7082 102.3579 43.7096 0.0000 169.3396 18 K 4.3686 8.1568 127.3270 55.1739 32.3818 174.5484 19 V 4.4992 7.7722 124.8156 61.3150 35.0817 174.0141 20 T 5.0120 8.4421 122.2994 61.6635 71.7264 173.3629 21 L 4.6267 8.5874 124.6964 52.9846 44.9606 175.2275 22 S 5.2024 8.7684 118.7846 55.9472 64.6848 172.8650 23 C 5.3072 9.0341 126.9516 54.9083 45.9322 172.2153 24 N 6.3000 9.1368 122.3561 50.5284 42.3427 173.4113 25 Q 4.9522 8.4067 119.1300 54.8429 30.9895 174.8035 26 T 4.0917 8.9595 121.8727 63.3251 69.5520 174.1632 27 N 3.9911 8.3371 122.0230 53.1246 34.9065 172.9621 28 N 4.2162 7.5308 117.3520 52.9930 38.6789 174.5051 29 H 4.8905 8.0284 113.3878 54.6807 32.7772 174.0537 30 N 4.5079 9.0521 120.5180 55.5303 39.0780 174.7888 31 N 5.5397 7.7934 114.2163 50.3819 40.6575 173.7561 32 M 5.1069 7.7909 119.2381 53.9208 36.5095 173.7866 33 Y 5.3130 9.2986 116.3130 56.5551 43.1433 174.4086 34 W 5.1845 8.6460 120.7929 55.5129 32.7015 174.6453 35 Y 5.1253 9.7635 120.2908 57.2816 42.2807 174.4553 36 R 4.4519 8.2348 120.5812 56.1342 31.7819 175.0098 37 Q 4.3446 9.0053 126.5364 55.9625 29.7089 175.9190 38 D 4.7304 8.4578 122.0512 52.7411 45.2681 176.5144 39 T 4.0705 8.9683 117.2252 64.7617 67.8847 174.1488 40 G 3.8287 7.9490 108.6211 46.1708 0.0000 174.3169 41 H 4.6914 7.9072 126.9491 52.2238 28.8574 174.0244 42 G 3.8795 8.5385 111.8692 47.1813 0.0000 171.5232 43 L 3.0921 9.1297 122.7570 55.1750 40.8546 175.9858 44 R 3.9886 8.8074 132.3634 56.5342 27.2215 174.5572 45 L 4.1016 8.5490 125.6626 57.2111 43.1298 174.9751 46 I 3.7070 9.0288 128.5143 63.3471 36.9727 177.2155 47 H 5.3516 9.1184 131.3737 56.7635 33.3534 173.6328 48 Y 5.0339 7.6555 117.2369 58.4512 41.5473 171.7608 49 S 4.1836 7.0526 110.2174 57.6981 66.1317 176.2176 50 Y 4.1595 8.2578 119.1804 58.4858 37.9938 176.3122 51 G 3.8742 7.7887 107.5367 43.3176 0.0000 173.8241 52 A 3.3879 8.6260 118.4053 54.9288 17.8841 179.0521 53 G 3.7634 9.3683 110.9901 46.1185 0.0000 173.7616 54 S 4.7484 7.9082 115.3689 57.4992 64.7111 174.0805 55 T 4.6131 8.2123 117.7310 62.0061 72.0836 173.0762 56 E 4.5769 9.0677 125.0462 54.0213 33.4093 175.5109 57 K 4.2302 8.9859 123.7938 56.1189 32.7253 177.4837 58 G 4.9006 8.6202 109.8258 46.2487 0.0000 174.0856 59 D 5.0518 9.0348 125.5768 53.5318 41.7401 176.8508 60 I 4.7385 7.3086 119.6286 59.5880 38.4716 174.5101 61 P 4.2053 0.0000 0.0000 65.5810 31.4776 177.3737 62 D 4.2914 8.1272 115.8802 56.1666 41.3085 177.6424 63 G 3.6566 8.7598 110.3279 46.2988 0.0000 172.3598 *65 Y 5.1919 7.3365 115.5041 58.1988 39.7485 175.1423 66 K 4.5086 8.6382 119.3289 55.3981 36.0020 175.9458 67 A 4.9276 8.2684 126.9993 51.3202 21.0666 176.1206 68 S 4.6340 8.9622 112.5914 57.3531 66.5792 173.3053 69 R 5.2745 8.7377 127.2878 54.2313 31.5083 173.1338 70 P 4.5113 0.0000 0.0000 62.7939 32.1102 176.4995 71 S 5.6699 8.4733 122.6837 59.7328 63.8748 179.3102 72 Q 2.7164 8.2909 132.5312 57.4048 28.7288 179.9446 73 E 3.2061 7.7181 120.8043 57.4446 31.0586 173.9656 74 N 5.4809 8.2719 122.7692 52.5650 41.2541 174.5397 75 F 5.1698 9.2907 127.6423 58.0152 41.8501 172.8662 76 S 5.3782 9.6405 123.5737 56.8573 65.6686 173.0390 77 L 4.5549 8.5453 125.2587 53.2431 44.2032 175.0810 78 I 4.7795 8.8108 126.7592 58.9496 40.4596 175.2814 79 L 4.9556 8.2356 124.6072 52.9017 41.3158 176.3033 80 E 3.9590 7.8705 116.6535 57.4906 30.8267 177.2959 81 L 3.2345 8.6051 123.5174 54.8847 38.1169 174.5510 82 A 4.8852 7.3162 121.8395 54.0445 19.1962 176.4733 83 T 4.3373 8.2809 109.5536 62.9499 71.9108 172.2870 84 P 4.4993 0.0000 0.0000 65.7998 31.6063 178.4281 85 S 4.1638 8.1570 111.4955 60.8733 62.9492 174.6604 86 Q 4.8273 9.3098 120.3890 56.2998 29.0143 175.7529 87 T 5.3028 8.1041 112.7223 63.2614 69.4405 175.2245 88 S 4.5964 7.7768 120.7215 58.0714 66.9450 174.1311 89 V 4.6379 8.3150 117.9970 61.3539 33.3952 174.9070 90 Y 4.9067 8.9853 125.3389 57.2718 39.2146 174.7362 91 F 5.6114 9.5556 122.3912 56.0340 42.3361 174.9283 92 C 4.9030 9.1176 122.6697 55.0639 41.4431 171.9315 93 A 5.0350 8.7755 124.1992 50.8663 22.5365 175.0865 94 S 5.1256 9.6373 114.7204 57.0261 66.2693 172.9389 95 G 4.2755 8.8533 109.5051 46.2650 0.0000 174.4565 96 G 4.4328 8.7270 104.9886 45.9269 0.0000 173.1214 97 Q 4.6223 7.9320 118.7027 53.6247 31.1762 175.7969 98 G 3.8092 8.6152 110.1682 46.6941 0.0000 173.9414 99 R 5.2089 8.4449 135.0000 57.3385 30.6354 175.5896 *104 A 4.0920 7.7300 119.1005 51.3974 19.8208 175.5350 105 E 3.6700 8.2367 118.2019 58.5989 29.2904 176.3576 106 Q 4.5285 8.0735 122.8707 53.9062 31.0331 175.1785 107 F 4.9110 9.5324 123.8589 56.0343 41.0395 175.4286 108 F 5.0016 9.1425 122.1447 56.3163 41.0047 175.5675 109 G 4.1815 9.3138 109.1360 44.5564 0.0000 172.5742 110 P 4.5145 0.0000 0.0000 63.8416 31.5371 178.0485 111 G 3.2060 9.1161 103.7712 45.1258 0.0000 173.1788 112 T 4.5290 8.2092 115.5573 61.9794 73.0765 173.1039 113 R 4.5069 8.7510 127.7848 55.2633 31.8137 174.3480 114 L 5.0880 8.8085 129.3083 53.7247 44.7124 175.1011 115 T 4.4582 8.5722 122.8613 61.6492 71.0251 173.4309 116 V 4.0422 8.3801 128.0712 62.4115 31.3356 175.9391 116A L 3.4916 9.7048 129.6733 60.4888 41.4689 182.6982 116B G 3.4136 8.2382 100.5190 46.0966 0.0000 175.0187 116C S 4.1531 8.3160 119.3452 58.2068 63.0061 174.7119 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 3 A 8.12 4.32 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 4 V 8.37 4.40 2.28 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 0.80 0.00 0.00 1.07 0.00 0.00 5 T 9.77 4.80 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 1.24 0.00 0.00 6 Q 8.51 4.40 0.00 1.95 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.04 0.00 0.00 0.00 0.00 0.00 2.28 2.52 0.00 7 S 8.94 4.03 0.00 4.04 3.74 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 0.00 0.00 0.00 0.00 8 P 0.00 4.51 0.00 2.35 2.17 0.00 3.53 0.00 0.00 3.81 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 9 R 8.52 4.39 0.00 1.84 2.00 0.00 3.45 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 10 N 7.03 4.57 0.00 2.77 2.68 0.00 0.00 6.76 6.56 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 11 K 8.74 4.77 0.00 1.79 1.54 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.35 7.81 12 V 8.26 5.00 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 0.92 0.00 0.00 0.94 0.00 0.00 13 A 8.53 4.69 1.18 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 0.00 0.00 14 V 8.48 4.14 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 0.80 0.00 0.00 0.92 0.00 0.00 15 T 8.71 3.66 4.22 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 1.19 0.00 0.00 16 G 7.93 4.13 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 0.00 0.00 0.00 17 G 7.71 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 18 K 8.16 4.37 0.00 1.84 1.79 0.00 1.51 0.00 0.00 2.25 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 1.32 7.81 19 V 7.77 4.50 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 0.89 0.00 0.00 0.86 0.00 0.00 20 T 8.44 5.01 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 1.17 0.00 0.00 21 L 8.59 4.63 0.00 0.87 0.88 0.69 0.21 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 22 S 8.77 5.20 0.00 3.95 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 23 C 9.03 5.31 0.00 2.59 2.86 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 0.00 0.00 0.00 24 N 9.14 6.30 0.00 2.69 2.67 0.00 0.00 6.37 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 25 Q 8.41 4.95 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.91 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 26 T 8.96 4.09 4.22 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 1.19 0.00 0.00 27 N 8.34 3.99 0.00 2.78 2.77 0.00 0.00 6.96 8.00 0.00 0.00 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 N 7.53 4.22 0.00 3.05 2.85 0.00 0.00 6.16 7.90 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 29 H 8.03 4.89 0.00 3.33 3.47 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 9.05 4.51 0.00 2.87 3.02 0.00 0.00 6.50 6.92 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 31 N 7.79 5.54 0.00 2.23 2.65 0.00 0.00 6.37 7.32 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 32 M 7.79 5.11 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 33 Y 9.30 5.31 0.00 2.49 2.38 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 34 W 8.65 5.18 0.00 3.14 2.89 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 35 Y 9.76 5.13 0.00 3.28 2.99 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 0.00 0.00 0.00 36 R 8.23 4.45 0.00 1.26 1.71 0.00 3.18 0.00 0.00 3.20 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.37 0.00 37 Q 9.01 4.34 0.00 2.48 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.35 0.00 0.00 0.00 0.00 0.00 2.39 2.65 0.00 38 D 8.46 4.73 0.00 2.74 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 39 T 8.97 4.07 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 40 G 7.95 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 41 H 7.91 4.69 0.00 3.08 3.27 0.00 5.76 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 42 G 8.54 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 43 L 9.13 3.09 0.00 1.63 0.80 0.45 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.81 3.99 0.00 2.16 2.58 0.00 2.95 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 45 L 8.55 4.10 0.00 1.91 1.64 0.46 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 46 I 9.03 3.71 1.78 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.33 0.34 0.00 0.00 47 H 9.12 5.35 0.00 3.20 3.43 0.00 5.73 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 7.66 5.03 0.00 3.12 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 49 S 7.05 4.18 0.00 3.60 3.17 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 50 Y 8.26 4.16 0.00 2.95 3.01 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 0.00 0.00 0.00 51 G 7.79 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 0.00 0.00 0.00 52 A 8.63 3.39 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 53 G 9.37 3.76 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 0.00 0.00 0.00 54 S 7.91 4.75 0.00 4.13 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 55 T 8.21 4.61 4.21 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 1.20 0.00 0.00 56 E 9.07 4.58 0.00 1.16 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 1.78 1.47 0.00 57 K 8.99 4.23 0.00 1.71 1.83 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.51 7.81 58 G 8.62 4.90 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 59 D 9.03 5.05 0.00 2.64 2.73 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 0.00 0.00 0.00 0.00 60 I 7.31 4.74 1.84 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 1.43 0.51 1.00 0.00 0.00 61 P 0.00 4.21 0.00 2.09 2.19 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 62 D 8.13 4.29 0.00 2.71 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 63 G 8.76 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *65 Y 7.34 5.19 0.00 3.00 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 66 K 8.64 4.51 0.00 1.65 1.66 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.41 7.81 67 A 8.27 4.93 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 68 S 8.96 4.63 0.00 3.93 3.73 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 0.00 0.00 0.00 0.00 69 R 8.74 5.27 0.00 1.45 1.63 0.00 3.21 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.42 0.00 70 P 0.00 4.51 0.00 2.24 2.18 0.00 4.21 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 2.01 2.00 0.00 71 S 8.47 5.67 0.00 4.06 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 72 Q 8.29 2.72 0.00 2.19 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.49 6.11 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 73 E 7.72 3.21 0.00 2.09 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 2.60 2.23 0.00 74 N 8.27 5.48 0.00 2.91 2.75 0.00 0.00 7.09 7.88 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 75 F 9.29 5.17 0.00 2.99 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 76 S 9.64 5.38 0.00 3.82 3.74 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 0.00 0.00 0.00 0.00 77 L 8.55 4.55 0.00 0.27 0.49 0.71 0.09 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 78 I 8.81 4.78 1.82 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 1.15 1.04 0.85 0.00 0.00 79 L 8.24 4.96 0.00 1.34 1.32 0.66 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.87 3.96 0.00 2.03 1.93 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 2.22 2.28 0.00 81 L 8.61 3.23 0.00 1.78 1.77 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.32 4.89 1.19 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 0.00 0.00 83 T 8.28 4.34 4.18 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 1.22 0.00 0.00 84 P 0.00 4.50 0.00 2.17 2.21 0.00 3.60 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 85 S 8.16 4.16 0.00 4.00 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 86 Q 9.31 4.83 0.00 2.22 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 7.14 0.00 0.00 0.00 0.00 0.00 2.27 2.53 0.00 87 T 8.10 5.30 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 1.30 0.00 0.00 88 S 7.78 4.60 0.00 4.25 3.74 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 0.00 0.00 0.00 0.00 89 V 8.32 4.64 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 0.97 0.00 0.00 0.94 0.00 0.00 90 Y 8.99 4.91 0.00 3.03 2.95 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 91 F 9.56 5.61 0.00 3.36 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 92 C 9.12 4.90 0.00 1.23 2.27 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 93 A 8.78 5.03 0.45 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 0.00 0.00 0.00 0.00 0.00 94 S 9.64 5.13 0.00 3.93 3.73 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 0.00 0.00 0.00 0.00 95 G 8.85 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 0.00 0.00 0.00 0.00 96 G 8.73 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.93 4.62 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 98 G 8.62 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 0.00 0.00 0.00 99 R 8.44 5.21 0.00 1.87 2.00 0.00 3.24 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.36 0.00 *104 A 7.73 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.24 3.67 0.00 1.85 1.55 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 2.18 2.24 0.00 106 Q 8.07 4.53 0.00 1.71 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.71 0.00 0.00 0.00 0.00 0.00 2.10 2.28 0.00 107 F 9.53 4.91 0.00 3.00 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 0.00 108 F 9.14 5.00 0.00 2.95 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 0.00 109 G 9.31 4.18 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 0.00 0.00 0.00 110 P 0.00 4.51 0.00 2.10 2.19 0.00 3.71 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 111 G 9.12 3.21 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 0.00 112 T 8.21 4.53 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 1.29 0.00 0.00 113 R 8.75 4.51 0.00 1.90 1.82 0.00 3.16 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 114 L 8.81 5.09 0.00 1.87 1.80 0.97 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.57 4.46 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 1.22 0.00 0.00 116 V 8.38 4.04 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 0.75 0.00 0.00 1.00 0.00 0.00 116A L 9.70 3.49 0.00 1.51 1.71 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 116B G 8.24 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 116C S 8.32 4.15 0.00 3.92 3.77 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 * Residues marked with a * may have inaccurate shift predictions.