NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 Y 4.6711 8.1449 121.6985 57.7087 40.1487 173.7512 9 K 3.6315 4.0000 117.4267 57.9006 32.6293 176.3312 10 K 4.2295 7.4962 117.0792 55.1976 33.8241 174.6469 11 P 4.6408 0.0000 0.0000 62.6271 32.3591 175.6645 12 K 4.9823 8.8372 120.3975 54.8664 36.8889 175.0181 13 L 4.9970 9.1339 121.1562 53.2522 44.7602 176.1475 14 L 4.9914 8.6469 121.8427 53.4687 44.0336 174.5330 15 Y 4.6710 9.0290 126.8769 56.3514 39.9754 173.8017 16 C 4.4106 8.3138 127.7856 58.0324 32.9059 174.3907 17 S 3.9480 7.9890 120.8260 61.0941 62.7374 173.8650 18 N 4.2444 7.7297 117.9374 54.2486 36.9014 174.5201 19 G 3.7794 8.4428 112.8842 44.0994 0.0000 170.5656 20 G 3.2169 7.5423 106.3059 44.2096 0.0000 172.7419 21 H 4.9404 6.9770 115.6056 53.9694 33.3369 174.7041 22 F 5.1772 8.8737 120.7002 56.4416 40.7184 175.0240 23 L 4.4905 8.5719 125.4768 55.1387 42.7376 176.1147 24 R 4.7941 8.8822 125.6113 54.6573 33.8954 173.9896 25 I 4.9751 8.1754 124.9061 59.8833 40.6457 174.9715 26 L 4.4396 8.6830 127.1489 52.3585 43.7873 176.0556 27 P 4.1934 0.0000 0.0000 65.7604 31.2731 177.2992 28 D 4.5715 7.9655 114.3310 53.3753 40.0085 176.8199 29 G 4.0731 8.3848 108.9355 45.7630 0.0000 173.3803 30 T 4.5538 7.8764 117.2735 62.4027 69.4797 173.9673 31 V 4.8889 7.8217 124.9652 61.2365 34.5992 174.6757 32 D 4.5349 8.1268 124.3272 53.4232 44.0464 174.4418 33 G 4.5860 8.3761 104.3154 45.4452 0.0000 172.1204 34 T 4.9814 8.6865 114.5735 60.4448 71.2191 174.5397 35 R 4.3756 8.7937 123.7660 56.2833 30.9141 176.1267 36 D 4.6416 8.2206 120.2143 53.4386 40.6584 175.8288 37 R 4.1334 8.6629 123.5503 56.3239 29.5901 176.7569 38 S 4.7563 7.9749 111.0043 58.6084 63.9916 175.0013 39 D 4.7555 7.7219 125.3724 55.3870 40.9483 176.1316 40 Q 4.5558 8.6997 112.6376 55.9271 31.1167 175.2075 41 H 4.9678 8.1432 115.7208 55.3248 29.5796 174.7006 42 I 4.2929 7.7367 111.8791 61.2710 38.6753 175.3836 43 Q 4.2033 7.8332 121.9543 55.8366 29.6618 174.7979 44 L 4.8801 8.7019 124.4073 52.7947 45.6431 175.5774 45 Q 4.6814 8.9022 124.7259 54.4760 30.5990 174.1539 46 L 5.0324 8.5039 127.5300 53.9766 42.9101 176.5662 47 S 4.8807 8.9461 117.6141 56.5592 66.5463 173.1664 48 A 5.2383 8.7715 123.7949 49.7416 19.3089 175.9552 49 E 4.6105 8.3748 126.8132 56.4604 30.6116 177.1250 *52 G 4.0766 8.0909 105.0835 45.2480 0.0000 173.0090 53 E 5.3859 8.0972 119.6207 54.7366 32.7950 175.4257 54 V 5.1298 8.6407 115.2357 60.2551 37.0531 173.6067 55 Y 4.8893 8.9421 119.3436 56.4058 41.7916 175.2246 56 I 4.3787 8.5101 122.2963 59.5966 40.1723 174.1434 57 K 4.4363 8.2561 128.5490 53.8888 35.0576 175.5221 58 G 3.9055 8.5145 114.5054 46.7777 0.0000 174.5597 59 T 3.8402 8.3069 122.2012 66.9085 68.3376 175.7293 60 E 4.0554 8.5268 120.5498 59.2720 29.6413 177.6830 61 T 4.1726 7.9142 106.0282 61.4195 69.8994 175.7816 62 G 3.9465 8.0578 108.2445 45.6244 0.0000 172.7818 63 Q 4.8008 7.8032 118.8418 55.1983 30.4624 174.9547 64 Y 4.9789 8.7379 120.6137 56.3899 40.8574 174.5742 65 L 4.6675 8.4494 123.2164 54.9949 43.6085 175.5412 66 A 5.0427 8.5410 125.6293 50.6386 23.1816 174.3532 67 M 5.3789 8.3743 119.6414 53.9535 35.0422 175.5984 68 D 5.0387 9.0075 125.9920 52.2868 41.7932 176.9407 69 T 4.0611 8.6446 114.7388 66.4164 68.3475 175.0215 70 E 4.5344 8.7956 118.5833 55.9254 29.9827 176.5420 71 G 3.6809 8.5825 107.3462 45.4353 0.0000 172.9935 72 L 4.8204 7.9265 118.9678 53.2576 43.7829 175.4723 73 L 5.2918 8.4923 122.7362 54.0927 43.2553 175.4050 74 Y 4.9247 8.7244 120.5648 55.8247 42.3054 173.5393 75 G 4.4010 8.6530 107.1174 44.7711 0.0000 173.1658 76 S 5.0212 8.7313 119.9513 56.6630 64.5427 174.9003 77 Q 4.0611 8.9324 126.9326 58.0933 29.3408 175.8876 78 T 4.5066 7.4584 110.3945 59.0538 69.8348 171.5011 79 P 4.2155 0.0000 0.0000 62.4354 32.2787 175.6585 80 N 4.8796 8.1491 118.4780 52.0717 39.5168 174.0566 81 E 4.2159 8.6895 114.4748 58.2579 30.2143 177.0787 82 E 4.0709 8.1194 118.9062 58.2792 29.7692 177.0673 83 C 5.1660 7.7916 115.7200 58.5617 29.2824 172.8921 84 L 4.2260 7.2666 122.5304 53.3113 43.6353 175.0686 85 F 5.3293 8.3998 123.9551 55.6840 43.1422 173.9609 86 L 4.8534 9.3536 123.5378 53.6190 42.8779 175.3919 87 E 4.7305 8.8815 125.8146 55.3201 31.3444 175.6680 88 R 4.6467 8.1567 123.1990 54.7419 35.1979 173.7799 89 L 4.4907 8.5373 126.1443 53.9234 42.8603 176.1678 90 E 4.4266 8.9202 126.9003 55.3655 30.4542 177.5704 91 E 4.0922 8.5630 117.5627 58.0341 29.9160 177.1183 92 N 4.6537 8.0306 115.8765 52.8080 37.9144 174.2726 93 H 4.0874 7.9471 114.7204 57.7053 26.2938 173.7025 94 Y 4.9156 8.0278 114.5244 56.3929 42.4524 174.3059 95 N 5.7083 9.3525 117.6996 51.9757 41.7524 174.3740 96 T 5.1812 8.3735 110.8357 60.2231 73.1872 172.4077 97 Y 5.2325 8.6302 118.3892 56.9549 41.9534 174.3588 98 T 4.8560 9.0022 121.8061 61.6458 71.0880 174.2771 99 S 4.1377 8.4832 121.1328 58.2736 62.7019 173.9672 100 K 3.9501 8.8299 129.4685 59.4128 32.2816 178.6776 101 K 3.7535 7.8991 118.0879 59.0650 32.2069 176.7438 102 H 4.7173 7.5866 115.3516 55.0186 29.2803 176.3170 103 A 3.8930 7.6620 125.4210 55.0272 18.2920 180.3975 104 E 4.0736 7.9426 112.0493 57.9990 29.7757 177.4262 105 K 4.2770 7.4987 117.5131 55.2803 33.4268 175.3078 106 N 3.8697 7.3796 115.2456 53.9169 36.4812 174.7601 107 W 4.8361 7.6846 117.9274 56.0994 30.7284 177.3073 108 F 5.3189 8.8137 124.0767 55.8412 40.6099 176.0354 109 V 3.9432 8.4843 121.4136 63.3086 32.0768 175.4648 110 G 4.3775 8.4345 112.3577 45.6930 0.0000 171.6224 111 L 5.3040 8.1366 119.9518 52.5747 45.4906 177.3009 112 K 4.2923 9.0743 122.2336 55.3725 33.0541 178.5290 113 K 3.9860 8.4143 119.6149 59.3068 31.9613 178.1481 114 N 4.5128 7.8845 113.8187 52.7682 37.6981 175.5006 115 G 3.8022 7.7346 107.6859 45.2770 0.0000 174.0942 116 S 4.4246 8.3229 114.7760 57.7792 64.7745 173.7420 117 C 4.6157 8.4488 118.5290 59.7583 28.6555 173.7977 118 K 4.2802 8.5350 121.9180 56.0787 32.9309 176.6902 119 R 4.4263 8.4278 123.0755 54.7893 31.5256 177.0428 120 G 3.4921 8.4436 115.0825 48.5528 0.0000 173.5905 121 P 4.2162 0.0000 0.0000 62.7737 31.1049 177.0371 122 R 4.5550 7.7193 116.5309 55.8892 30.7447 175.6599 123 T 4.6735 7.1726 107.6376 60.2133 70.8504 173.9305 124 H 4.7721 8.2909 117.0642 54.8192 32.6933 173.1044 125 Y 4.2712 8.6530 120.9168 59.8420 38.0770 176.5597 126 G 4.1137 9.0697 111.7932 45.7893 0.0000 173.9948 127 Q 4.2294 7.9058 119.4914 54.8845 29.7539 177.3105 128 K 3.7783 8.6063 121.4921 59.1653 32.5496 178.8587 129 A 3.8571 7.9392 121.7455 54.9298 18.1206 178.5107 130 I 4.2870 6.8889 104.8046 60.9445 38.4811 175.2435 131 L 4.6897 7.3888 123.0880 53.5185 43.1481 175.5746 132 F 5.4803 9.3428 122.2200 55.5580 43.3068 174.1449 133 L 5.0896 9.8118 125.0843 52.4963 44.4563 173.7860 134 P 4.9343 0.0000 0.0000 63.0863 31.8373 175.6508 135 L 5.0502 8.9997 125.0098 51.7069 45.3855 174.7237 136 P 4.6758 0.0000 0.0000 62.5876 32.0857 177.0052 137 V 3.5750 8.3543 119.8758 63.5956 31.9573 176.1355 138 S 4.0606 8.0838 118.2331 58.7592 64.1365 171.8244 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 8 Y 8.14 4.67 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.00 3.63 0.00 0.79 1.24 0.00 1.53 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.20 1.37 7.81 10 K 7.50 4.23 0.00 1.89 1.77 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.64 7.81 11 P 0.00 4.64 0.00 1.92 1.95 0.00 3.62 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 12 K 8.84 4.98 0.00 1.69 1.84 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.63 7.81 13 L 9.13 5.00 0.00 1.68 1.74 0.83 0.48 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 14 L 8.65 4.99 0.00 1.56 1.56 0.52 0.85 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 15 Y 9.03 4.67 0.00 3.16 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 16 C 8.31 4.41 0.00 2.90 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.99 3.95 0.00 3.52 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 18 N 7.73 4.24 0.00 2.57 2.58 0.00 0.00 7.09 7.98 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 19 G 8.44 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 0.00 0.00 0.00 20 G 7.54 3.22 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 0.00 0.00 0.00 0.00 21 H 6.98 4.94 0.00 3.00 3.14 0.00 5.81 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 22 F 8.87 5.18 0.00 3.06 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 23 L 8.57 4.49 0.00 1.61 1.52 0.93 0.58 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 24 R 8.88 4.79 0.00 1.96 2.01 0.00 3.46 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 25 I 8.18 4.98 1.85 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 1.19 0.74 0.90 0.00 0.00 26 L 8.68 4.44 0.00 1.57 1.51 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.19 0.00 2.02 2.12 0.00 3.57 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 28 D 7.97 4.57 0.00 2.77 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 29 G 8.38 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 30 T 7.88 4.55 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 1.23 0.00 0.00 31 V 7.82 4.89 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 0.94 0.00 0.00 32 D 8.13 4.53 0.00 2.71 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 33 G 8.38 4.59 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 0.00 0.00 0.00 34 T 8.69 4.98 4.32 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 0.00 0.00 0.00 1.33 0.00 0.00 35 R 8.79 4.38 0.00 1.85 1.98 0.00 3.21 0.00 0.00 3.02 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.32 0.00 36 D 8.22 4.64 0.00 2.83 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 37 R 8.66 4.13 0.00 1.84 2.16 0.00 3.19 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 38 S 7.97 4.76 0.00 3.96 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 39 D 7.72 4.76 0.00 2.83 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 40 Q 8.70 4.56 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 7.29 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 41 H 8.14 4.97 0.00 3.20 3.31 0.00 5.80 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 42 I 7.74 4.29 1.84 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.42 0.94 0.00 0.00 43 Q 7.83 4.20 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 44 L 8.70 4.88 0.00 1.52 1.43 0.80 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.90 4.68 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 46 L 8.50 5.03 0.00 1.62 1.66 0.91 0.90 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 47 S 8.95 4.88 0.00 3.99 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 48 A 8.77 5.24 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.37 4.61 0.00 2.06 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 2.30 2.32 0.00 *52 G 8.09 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 53 E 8.10 5.39 0.00 1.89 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 0.00 2.27 2.34 0.00 54 V 8.64 5.13 2.19 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 0.96 0.00 0.00 1.20 0.00 0.00 55 Y 8.94 4.89 0.00 3.00 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 56 I 8.51 4.38 1.68 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 1.00 1.12 0.69 0.00 0.00 57 K 8.26 4.44 0.00 0.79 1.18 0.00 1.46 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.04 0.79 7.81 58 G 8.51 3.91 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 0.00 0.00 0.00 59 T 8.31 3.84 4.32 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 0.00 0.00 0.00 1.18 0.00 0.00 60 E 8.53 4.06 0.00 1.93 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 0.00 2.36 2.39 0.00 61 T 7.91 4.17 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 1.23 0.00 0.00 62 G 8.06 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 63 Q 7.80 4.80 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 64 Y 8.74 4.98 0.00 2.92 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 65 L 8.45 4.67 0.00 1.74 1.55 0.81 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.54 5.04 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.37 5.38 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.69 0.00 68 D 9.01 5.04 0.00 2.99 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 69 T 8.64 4.06 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 70 E 8.80 4.53 0.00 1.94 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 0.00 2.29 2.37 0.00 71 G 8.58 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 0.00 0.00 0.00 72 L 7.93 4.82 0.00 1.91 1.67 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.49 5.29 0.00 1.58 1.63 0.93 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 74 Y 8.72 4.92 0.00 3.03 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 75 G 8.65 4.40 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 0.00 76 S 8.73 5.02 0.00 3.92 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 77 Q 8.93 4.06 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.49 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 78 T 7.46 4.51 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 1.20 0.00 0.00 79 P 0.00 4.22 0.00 1.75 1.35 0.00 3.46 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.72 0.00 80 N 8.15 4.88 0.00 2.81 2.90 0.00 0.00 6.03 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 81 E 8.69 4.22 0.00 2.05 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 0.00 2.24 2.27 0.00 82 E 8.12 4.07 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 2.42 2.37 0.00 83 C 7.79 5.17 0.00 3.27 3.26 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 84 L 7.27 4.23 0.00 1.70 1.25 0.39 0.82 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 85 F 8.40 5.33 0.00 3.00 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 86 L 9.35 4.85 0.00 1.58 1.62 0.89 0.72 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 87 E 8.88 4.73 0.00 2.12 1.87 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 2.10 1.76 0.00 88 R 8.16 4.65 0.00 1.78 1.81 0.00 3.25 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 1.59 1.62 0.00 89 L 8.54 4.49 0.00 1.66 1.59 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.92 4.43 0.00 2.29 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 2.42 2.52 0.00 91 E 8.56 4.09 0.00 2.02 2.03 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 2.23 2.26 0.00 92 N 8.03 4.65 0.00 2.95 3.00 0.00 0.00 6.19 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 93 H 7.95 4.09 0.00 3.24 3.42 0.00 5.79 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.03 4.92 0.00 2.92 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 95 N 9.35 5.71 0.00 2.90 2.48 0.00 0.00 6.95 7.87 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 96 T 8.37 5.18 4.45 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 1.30 0.00 0.00 97 Y 8.63 5.23 0.00 2.90 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 98 T 9.00 4.86 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 1.00 0.00 0.00 99 S 8.48 4.14 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.83 3.95 0.00 1.69 1.62 0.00 1.59 0.00 0.00 1.46 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.42 7.81 101 K 7.90 3.75 0.00 1.57 1.58 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.08 1.31 7.81 102 H 7.59 4.72 0.00 2.73 2.28 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.66 3.89 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 0.00 104 E 7.94 4.07 0.00 2.00 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 2.13 2.18 0.00 105 K 7.50 4.28 0.00 1.07 1.53 0.00 1.50 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.26 1.12 7.81 106 N 7.38 3.87 0.00 2.84 2.83 0.00 0.00 6.91 8.26 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 0.00 107 W 7.68 4.84 0.00 3.23 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 0.00 108 F 8.81 5.32 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 0.00 109 V 8.48 3.94 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 0.57 0.00 0.00 0.71 0.00 0.00 110 G 8.43 4.38 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 0.00 111 L 8.14 5.30 0.00 1.40 1.48 1.03 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.07 4.29 0.00 1.92 1.68 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.41 1.49 7.81 113 K 8.41 3.99 0.00 1.70 1.85 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.50 7.81 114 N 7.88 4.51 0.00 2.79 2.91 0.00 0.00 6.26 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 7.73 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 0.00 116 S 8.32 4.42 0.00 3.91 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 0.00 117 C 8.45 4.62 0.00 2.89 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 0.00 118 K 8.54 4.28 0.00 1.76 1.71 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.50 7.81 119 R 8.43 4.43 0.00 1.75 1.64 0.00 3.26 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.51 0.00 120 G 8.44 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 0.00 0.00 0.00 121 P 0.00 4.22 0.00 1.82 1.94 0.00 2.99 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.85 0.00 122 R 7.72 4.56 0.00 1.82 1.87 0.00 3.29 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 123 T 7.17 4.67 4.35 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 124 H 8.29 4.77 0.00 3.24 3.23 0.00 5.84 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.65 4.27 0.00 3.04 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 0.00 126 G 9.07 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 0.00 127 Q 7.91 4.23 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 128 K 8.61 3.78 0.00 1.65 1.63 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.33 7.81 129 A 7.94 3.86 1.25 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 0.00 0.00 130 I 6.89 4.29 1.44 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.35 0.62 0.00 0.00 131 L 7.39 4.69 0.00 1.31 1.00 0.82 0.52 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 0.00 132 F 9.34 5.48 0.00 3.25 3.06 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 0.00 133 L 9.81 5.09 0.00 1.92 2.05 0.89 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.93 0.00 2.20 2.21 0.00 3.90 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 135 L 9.00 5.05 0.00 1.69 1.61 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.68 0.00 2.19 2.07 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 137 V 8.35 3.57 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 0.79 0.00 0.00 0.90 0.00 0.00 138 S 8.08 4.06 0.00 4.15 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 * Residues marked with a * may have inaccurate shift predictions.