NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.6347 8.1744 111.0937 61.7129 70.2761 172.4732 4 I 3.9965 8.2109 127.2167 58.7796 39.7231 169.1492 5 V 4.7137 9.0632 130.1899 61.1378 33.5073 174.2760 6 L 4.3648 8.5193 128.4611 54.5116 43.4517 176.9192 7 S 4.7988 8.2822 116.6553 56.8833 65.3749 173.8832 8 V 3.7536 8.6289 125.1378 62.4343 31.8766 178.9922 9 G 3.9177 9.1196 121.4568 46.4555 0.0000 172.7252 10 E 4.4205 9.2835 122.7963 55.9551 32.5111 175.7119 11 A 4.2544 7.7885 122.7062 52.0793 19.0415 176.9689 12 T 4.7905 8.4647 113.0539 61.0994 71.2715 175.1435 13 R 4.4720 9.2766 121.7779 55.0643 33.5500 174.2964 14 T 4.8059 8.4895 121.8693 62.3625 70.1779 173.8929 15 L 5.0102 8.8249 127.5070 53.2801 43.9952 175.6823 16 T 4.8365 8.4041 113.3501 59.3481 71.5442 173.3324 17 E 3.2355 8.8589 124.7223 57.5096 29.6524 175.6617 18 I 4.3578 8.2339 124.6291 62.4604 40.2210 175.8662 19 Q 4.2262 7.8445 125.7442 54.8205 31.6600 172.7770 20 S 4.8396 8.6395 121.6701 56.8752 64.4094 173.2770 21 T 4.6299 8.5683 124.0394 61.2692 71.2333 173.9632 22 A 4.1594 8.6408 124.3699 54.8955 18.9097 177.7078 23 D 4.8381 8.2494 113.5712 54.7096 41.8521 176.7243 24 R 4.8762 7.8258 119.3978 54.5138 32.6254 174.3917 25 Q 5.0444 8.5644 123.7558 54.8403 33.4501 173.3755 26 I 4.9596 8.2932 124.6099 59.7741 41.2497 174.5305 27 F 5.2575 9.4476 125.3912 55.9621 43.2223 174.0159 28 E 5.1247 8.3755 117.4524 55.4055 33.7165 174.1700 29 E 4.4875 9.4202 129.2962 54.9012 29.9365 177.9420 30 K 4.3825 8.2733 130.9179 54.8425 30.9371 176.7016 31 V 4.3509 7.0030 117.6369 62.1480 35.4933 176.2523 32 G 3.8247 8.6954 114.7292 44.2671 0.0000 171.1703 33 P 4.4611 0.0000 0.0000 62.5655 31.8365 177.1713 34 L 3.9330 8.4052 118.6267 56.3472 41.8485 177.6748 35 V 4.2920 6.9731 117.4982 60.8484 33.2163 175.5773 36 G 3.8604 8.6460 108.3498 46.7271 0.0000 173.9470 37 R 4.1305 7.9228 117.8252 54.8725 31.1109 176.3351 38 L 4.2416 8.5148 123.9338 55.7647 43.1832 175.5627 39 R 5.0875 8.8156 125.7171 54.4234 33.7989 173.3227 40 L 5.1576 8.7761 127.6726 53.6885 45.1578 175.0011 41 T 5.1374 9.3394 123.6312 61.4733 70.0904 173.1486 42 A 5.4271 8.6651 128.9678 50.2261 21.8341 175.3879 43 S 4.9776 9.3278 116.0894 56.8245 66.8571 172.7571 44 L 5.2997 8.4309 124.5799 53.5144 44.8002 175.6288 45 R 4.7951 8.6152 123.6833 55.3314 33.8974 173.4736 46 Q 4.9612 8.6425 124.3503 54.1702 31.2404 174.9456 47 N 4.5044 8.6210 119.0520 52.4036 38.6037 176.3598 48 G 3.5370 8.7471 108.2082 48.7812 0.0000 174.8988 49 A 4.0250 7.8820 120.2776 52.3448 18.5067 177.4136 50 K 3.7507 7.7897 114.1051 57.4796 30.2861 176.3573 51 T 4.4729 8.0150 109.4641 62.3490 70.4249 173.7664 52 A 5.0593 7.6684 122.5330 51.1763 23.0229 174.3755 53 Y 5.0552 9.5063 116.7477 56.2152 41.6318 175.2853 54 R 5.0992 9.3792 121.9043 54.6098 32.9701 174.9363 55 V 4.6212 8.7159 125.2562 61.6746 33.3620 174.2941 56 N 5.6480 9.3081 125.4044 51.4830 41.9329 173.4657 57 L 5.2586 8.9040 122.5218 52.8097 45.9955 175.3891 58 K 4.7619 9.1219 124.3854 54.6317 35.3184 174.2460 59 L 5.0167 8.9372 130.4446 53.6761 44.1248 174.5761 60 D 5.3400 9.2183 126.7267 52.6661 43.6479 174.9414 61 Q 4.6904 9.4176 126.1921 54.1538 30.8289 174.1943 62 A 4.6079 8.5121 128.8856 51.4952 20.0344 175.8748 63 D 4.4084 8.4941 122.4060 53.2427 42.2206 175.2132 64 V 4.8843 8.2309 125.9156 61.2310 33.9462 175.0769 65 V 4.5591 8.8851 120.0428 59.4992 35.6713 174.6879 66 D 5.3816 8.5282 122.8193 51.5687 39.0208 175.8946 67 S 4.3360 7.9209 122.3598 56.4896 61.7093 173.9974 68 G 4.0304 7.4650 123.4902 46.0143 0.0000 170.1914 *75 L 4.5489 7.1383 117.3631 52.7979 43.1640 175.3532 76 P 4.6168 0.0000 0.0000 63.3243 32.0251 175.5455 77 K 4.5457 8.8568 122.8184 55.3198 36.2862 174.3892 78 V 4.4533 8.1932 125.8578 61.9015 31.9548 175.9011 79 R 4.1149 8.6279 128.2820 59.0599 30.3762 175.8691 80 Y 4.9922 6.8605 113.3204 56.2989 41.8421 173.2800 81 T 5.0837 8.5321 115.2940 62.0239 72.0401 173.6488 82 Q 4.7655 9.2552 125.5088 54.4467 31.1316 174.8977 83 V 4.9777 8.3619 121.8309 60.9436 35.2116 174.8091 84 W 4.9815 9.3294 135.0000 55.9533 33.1027 173.8385 85 S 5.5532 8.8429 121.5015 57.0253 65.4157 173.1161 86 H 5.1200 9.7760 118.3426 54.1764 32.6453 172.4337 87 D 5.0025 8.8186 120.6871 52.7917 43.8663 174.4715 88 V 4.4147 9.0042 127.2246 61.4191 34.1385 174.3316 89 T 4.9296 8.6604 125.1310 62.5906 69.5599 174.1411 90 I 4.5610 8.6630 128.0469 59.4112 40.0224 175.1752 91 V 4.4667 8.4012 126.5399 61.8420 32.7145 176.6189 92 A 4.2184 8.8523 131.3680 55.5650 18.3406 178.4423 93 N 4.7205 8.0965 109.6596 53.1083 37.5954 175.3113 94 S 4.4149 7.5358 114.3829 58.2586 64.1447 174.5569 95 T 4.2595 8.0965 111.7552 61.2214 70.8875 175.3234 96 E 3.8999 8.6654 122.6575 59.3441 29.7710 178.7779 97 A 4.0116 8.1007 120.6710 55.3276 18.3353 179.6397 98 S 4.0920 8.0944 112.5375 61.7482 63.1469 176.9536 99 R 3.9312 7.8531 121.5259 58.7452 29.8210 179.0068 100 K 4.0379 8.4408 119.8222 59.2942 32.1401 178.8878 101 S 4.0632 8.2725 113.5899 61.3065 62.4114 175.7823 102 L 3.9527 8.0948 123.1080 58.2888 41.7546 178.2791 103 Y 3.9806 8.1947 119.2560 60.8997 38.8500 177.6490 104 D 4.2534 8.6805 120.1064 57.5452 40.9745 179.0312 105 L 4.0221 8.5443 119.6027 57.9615 41.5550 179.7801 106 T 3.8780 7.8295 115.8673 66.2039 68.2479 176.6002 107 K 3.6122 7.9656 122.0594 59.6136 31.8783 178.7586 108 S 4.0235 7.7519 111.9072 61.0571 62.7113 175.4138 109 L 4.0766 7.9451 123.0747 58.4013 41.6572 179.1519 110 V 3.6845 7.6944 116.3604 66.0333 31.5077 177.6023 111 A 4.0924 7.6638 119.5490 53.7420 18.8597 178.0761 112 T 4.0275 7.3318 108.7705 61.3952 69.5585 175.9520 113 S 4.2449 8.6531 119.3166 61.1867 63.0210 176.7467 114 Q 3.9585 8.0480 121.8793 59.0601 28.5456 178.6592 115 V 3.6230 7.4620 117.7977 65.7743 31.5544 177.4630 116 E 4.0112 8.0885 118.6506 59.6414 29.5076 178.5655 117 D 4.4073 8.3199 118.8762 57.2847 40.7189 178.6492 118 L 4.1145 7.9989 122.1019 57.5983 41.8900 179.2623 119 V 3.5061 7.6687 116.9634 65.7563 31.6186 177.9732 120 V 3.7877 8.1355 117.1720 65.4579 31.6552 176.3824 121 N 4.7637 7.9996 112.1567 52.0535 39.7436 174.6689 122 L 3.8795 7.7551 115.9145 54.8023 39.0034 174.3498 123 V 3.9150 7.5906 118.5324 61.1617 31.9978 173.5937 124 P 4.3020 0.0000 0.0000 62.6025 31.8351 176.2599 125 L 4.0862 8.0807 120.6912 55.3197 42.2953 176.6929 126 G 4.0704 8.9154 111.2771 45.3736 0.0000 174.5804 127 R 4.2030 8.5311 123.3777 56.2453 30.6793 175.7281 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 T 8.17 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 4 I 8.21 4.00 1.60 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.59 0.60 0.00 0.00 5 V 9.06 4.71 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 0.87 0.00 0.00 0.93 0.00 0.00 6 L 8.52 4.36 0.00 1.63 1.51 0.86 0.69 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 7 S 8.28 4.80 0.00 3.66 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 V 8.63 3.75 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 0.93 0.00 0.00 0.91 0.00 0.00 9 G 9.12 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 10 E 9.28 4.42 0.00 1.91 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 2.20 2.31 0.00 11 A 7.79 4.25 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 12 T 8.46 4.79 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 1.20 0.00 0.00 13 R 9.28 4.47 0.00 1.63 1.84 0.00 3.27 0.00 0.00 3.16 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 14 T 8.49 4.81 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 1.24 0.00 0.00 15 L 8.82 5.01 0.00 1.69 1.73 0.97 0.28 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 16 T 8.40 4.84 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 1.25 0.00 0.00 17 E 8.86 3.24 0.00 1.67 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 2.14 2.24 0.00 18 I 8.23 4.36 1.93 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 1.07 0.86 0.88 0.00 0.00 19 Q 7.84 4.23 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 20 S 8.64 4.84 0.00 3.88 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 21 T 8.57 4.63 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 1.21 0.00 0.00 22 A 8.64 4.16 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 D 8.25 4.84 0.00 2.86 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 24 R 7.83 4.88 0.00 1.93 1.83 0.00 3.17 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 25 Q 8.56 5.04 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.54 0.00 0.00 0.00 0.00 0.00 2.16 2.28 0.00 26 I 8.29 4.96 1.83 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 1.27 0.88 0.94 0.00 0.00 27 F 9.45 5.26 0.00 3.03 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 28 E 8.38 5.12 0.00 1.98 1.75 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 2.16 2.21 0.00 29 E 9.42 4.49 0.00 1.99 1.88 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 2.33 2.33 0.00 30 K 8.27 4.38 0.00 1.79 1.77 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.59 1.37 7.81 31 V 7.00 4.35 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 0.79 0.00 0.00 0.94 0.00 0.00 32 G 8.70 3.82 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 0.00 0.00 0.00 33 P 0.00 4.46 0.00 2.22 2.19 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 34 L 8.41 3.93 0.00 1.64 1.77 0.92 0.87 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 35 V 6.97 4.29 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 0.68 0.00 0.00 0.92 0.00 0.00 36 G 8.65 3.86 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 0.00 0.00 0.00 37 R 7.92 4.13 0.00 1.83 2.06 0.00 3.30 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 38 L 8.51 4.24 0.00 1.78 1.58 0.99 0.77 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 39 R 8.82 5.09 0.00 2.08 1.74 0.00 3.11 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 40 L 8.78 5.16 0.00 1.78 1.49 0.95 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 41 T 9.34 5.14 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 1.32 0.00 0.00 42 A 8.67 5.43 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 43 S 9.33 4.98 0.00 3.86 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 44 L 8.43 5.30 0.00 1.68 1.58 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.62 4.80 0.00 1.98 1.75 0.00 3.13 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 46 Q 8.64 4.96 0.00 1.62 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.83 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 47 N 8.62 4.50 0.00 2.74 2.94 0.00 0.00 7.00 6.47 0.00 0.00 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 G 8.75 3.54 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 0.00 0.00 0.00 49 A 7.88 4.03 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 50 K 7.79 3.75 0.00 1.88 1.84 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.47 7.81 51 T 8.02 4.47 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 52 A 7.67 5.06 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 53 Y 9.51 5.06 0.00 2.85 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 54 R 9.38 5.10 0.00 1.69 1.87 0.00 3.32 0.00 0.00 3.12 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 55 V 8.72 4.62 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 1.06 0.00 0.00 0.96 0.00 0.00 56 N 9.31 5.65 0.00 2.75 2.71 0.00 0.00 6.35 6.63 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 57 L 8.90 5.26 0.00 1.62 1.52 0.81 0.62 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 58 K 9.12 4.76 0.00 1.86 1.69 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.52 1.42 7.81 59 L 8.94 5.02 0.00 1.85 1.72 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 60 D 9.22 5.34 0.00 2.67 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 61 Q 9.42 4.69 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 62 A 8.51 4.61 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 63 D 8.49 4.41 0.00 1.96 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 64 V 8.23 4.88 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 0.89 0.00 0.00 0.88 0.00 0.00 65 V 8.89 4.56 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 0.77 0.00 0.00 0.96 0.00 0.00 66 D 8.53 5.38 0.00 2.70 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 67 S 7.92 4.34 0.00 4.00 3.94 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 68 G 7.47 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 *75 L 7.14 4.55 0.00 1.67 1.67 0.92 1.14 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 76 P 0.00 4.62 0.00 1.92 1.98 0.00 3.69 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 77 K 8.86 4.55 0.00 1.80 1.57 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.38 7.81 78 V 8.19 4.45 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 0.84 0.00 0.00 0.90 0.00 0.00 79 R 8.63 4.11 0.00 1.65 2.08 0.00 3.21 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.52 0.00 80 Y 6.86 4.99 0.00 2.94 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 81 T 8.53 5.08 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 82 Q 9.26 4.77 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 83 V 8.36 4.98 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 0.95 0.00 0.00 1.06 0.00 0.00 84 W 9.33 4.98 0.00 3.49 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 85 S 8.84 5.55 0.00 4.07 3.90 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 86 H 9.78 5.12 0.00 3.05 3.26 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.82 5.00 0.00 2.65 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 88 V 9.00 4.41 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 0.98 0.00 0.00 1.00 0.00 0.00 89 T 8.66 4.93 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 1.25 0.00 0.00 90 I 8.66 4.56 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.84 0.96 0.00 0.00 91 V 8.40 4.47 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 1.06 0.00 0.00 0.96 0.00 0.00 92 A 8.85 4.22 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 93 N 8.10 4.72 0.00 2.84 2.95 0.00 0.00 6.04 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 94 S 7.54 4.41 0.00 3.98 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 95 T 8.10 4.26 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 96 E 8.67 3.90 0.00 2.05 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 2.36 2.35 0.00 97 A 8.10 4.01 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 98 S 8.09 4.09 0.00 4.10 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 99 R 7.85 3.93 0.00 2.02 2.02 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 100 K 8.44 4.04 0.00 1.98 1.83 0.00 1.83 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.59 7.81 101 S 8.27 4.06 0.00 4.09 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 0.00 102 L 8.09 3.95 0.00 1.91 1.89 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 8.19 3.98 0.00 3.13 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 0.00 104 D 8.68 4.25 0.00 2.90 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 0.00 105 L 8.54 4.02 0.00 1.68 1.70 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 106 T 7.83 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 1.21 0.00 0.00 107 K 7.97 3.61 0.00 1.19 1.71 0.00 1.45 0.00 0.00 1.47 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.30 1.26 7.81 108 S 7.75 4.02 0.00 3.88 3.99 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 0.00 109 L 7.95 4.08 0.00 1.95 1.84 0.94 0.80 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 0.00 110 V 7.69 3.68 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 0.71 0.00 0.00 1.02 0.00 0.00 111 A 7.66 4.09 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 0.00 112 T 7.33 4.03 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 1.30 0.00 0.00 113 S 8.65 4.24 0.00 4.08 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 0.00 114 Q 8.05 3.96 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 115 V 7.46 3.62 2.37 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 1.19 0.00 0.00 0.99 0.00 0.00 116 E 8.09 4.01 0.00 2.14 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 0.00 2.35 2.42 0.00 117 D 8.32 4.41 0.00 2.99 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 0.00 118 L 8.00 4.11 0.00 1.92 1.83 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 119 V 7.67 3.51 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 0.86 0.00 0.00 0.57 0.00 0.00 120 V 8.14 3.79 2.21 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 0.91 0.00 0.00 1.00 0.00 0.00 121 N 8.00 4.76 0.00 2.92 2.81 0.00 0.00 7.12 7.14 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 0.00 122 L 7.76 3.88 0.00 1.77 1.72 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.59 3.92 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 1.00 0.00 0.00 0.93 0.00 0.00 124 P 0.00 4.30 0.00 2.07 1.97 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 125 L 8.08 4.09 0.00 1.63 1.59 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.92 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 0.00 127 R 8.53 4.20 0.00 1.77 1.79 0.00 3.41 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 * Residues marked with a * may have inaccurate shift predictions.