NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.6637 8.4549 120.6393 56.5767 44.7134 172.6862 2 T 4.5758 8.5297 123.5776 61.4248 70.6096 172.8599 3 C 5.0680 8.4828 123.3008 54.8606 44.6310 173.4933 4 V 4.1143 8.3055 123.3602 59.5169 31.8760 174.1111 5 P 4.3745 0.0000 0.0000 61.9671 31.4084 174.3891 6 P 4.5077 0.0000 0.0000 62.2722 32.4168 176.0638 7 H 4.2664 8.2992 119.8120 55.2193 31.6939 174.5269 8 P 3.5789 0.0000 0.0000 66.0024 30.3284 178.5191 9 Q 2.5426 7.3437 118.5217 58.8103 29.1262 178.2283 10 T 3.8403 7.6256 110.0985 64.6700 69.0273 176.2186 11 A 4.0601 8.3498 124.0935 54.5756 18.0962 179.4092 12 F 4.0898 7.7197 118.1725 61.9124 39.6320 176.5493 13 C 4.5349 7.8263 114.2975 60.0592 40.0446 175.5593 14 N 4.3233 7.9105 116.8640 54.9418 38.6155 176.1002 15 S 4.4961 7.2388 115.2232 58.1558 63.8119 174.0689 16 D 4.5852 8.6062 123.5407 56.6511 41.6557 176.9484 17 L 5.5418 8.1872 117.4674 51.8843 46.2920 176.2155 18 V 5.1687 8.4842 115.9788 59.6148 34.9204 174.6493 19 I 5.2467 9.2722 118.7736 59.1596 41.7469 173.9754 20 R 5.1763 8.5198 119.8668 54.7425 31.3992 174.9930 21 A 4.9798 9.3142 126.3881 51.2966 23.4489 175.2522 *22 K 4.8307 8.6393 123.1278 53.5019 34.3416 176.7953 23 F 4.4709 9.0927 123.8443 56.6649 39.2431 175.8702 24 V 3.6248 9.1292 125.4619 64.7265 31.2853 175.7874 25 G 4.0610 7.5840 109.8963 45.6617 0.0000 172.9261 26 T 4.0304 8.7153 114.2837 60.9059 69.4285 172.5876 27 P 4.2545 0.0000 0.0000 62.8352 32.5496 175.2944 28 E 4.3457 8.7697 121.9934 55.5078 30.8812 175.2745 29 V 4.4337 8.3400 124.8057 61.0750 33.3207 174.6711 30 N 4.7066 8.5157 127.4076 52.0385 38.8518 174.5109 31 Q 4.6926 8.2097 128.5659 54.8398 27.2466 175.1063 32 T 4.7781 7.5658 114.2814 65.0240 76.1717 175.6247 33 T 4.3736 8.0007 115.6071 62.6458 69.6131 174.8994 34 L 3.6679 7.7669 120.2090 56.0992 39.8955 173.2348 35 Y 5.0315 7.4898 111.3209 56.1824 41.7076 174.9890 36 Q 5.0375 9.3272 119.9980 54.4788 32.8948 174.0765 37 R 4.9830 8.4398 114.7173 54.8086 33.2904 173.3862 38 Y 4.8799 8.7690 119.3826 56.1644 40.4781 174.6481 39 E 4.1101 8.9065 126.0110 55.8481 30.7669 175.2178 40 I 4.7060 8.1270 122.4055 59.5074 41.3053 175.4036 *41 K 4.3487 8.7692 129.2405 53.8232 32.6180 174.3428 42 M 4.3308 8.4336 126.7286 55.4318 32.4838 175.1874 43 T 4.4263 8.8336 124.4984 65.3266 70.4440 175.5722 44 K 4.5070 7.4746 122.6832 53.5779 36.4944 175.9753 45 M 4.7741 8.2068 121.3111 54.0910 33.9787 174.8539 46 Y 4.8611 8.3950 122.1478 57.8933 40.1978 175.8275 47 K 3.7858 7.1510 117.7808 56.1215 35.1360 175.0074 48 G 4.1275 10.1756 127.0700 44.5491 0.0000 173.7981 *49 F 3.5566 7.9155 121.7635 56.5178 35.4497 178.5997 *50 Q 5.5548 7.3574 132.1076 56.1199 30.8058 175.8192 51 A 4.3622 7.9286 122.2491 53.9437 18.1488 179.3568 *52 L 4.1183 8.1883 117.9087 55.7907 41.6512 181.4356 53 G 4.4544 7.8443 106.3418 45.1659 0.0000 174.3110 *54 D 4.8612 10.0890 119.7161 52.9299 36.8939 171.8367 55 A 4.7626 8.1012 119.1958 53.1408 22.6385 177.0093 56 A 4.4612 7.6677 127.6646 50.5804 18.8086 181.1606 *57 D 3.8439 8.4839 113.7947 56.7899 40.2803 172.9190 58 I 4.1577 7.3929 130.0471 60.2027 37.8178 175.6816 59 R 4.7223 8.2697 121.6761 54.1345 31.5175 174.3042 60 F 5.3912 8.3236 117.9199 55.7398 42.3286 174.7324 61 V 4.6201 8.5678 121.9547 60.3513 33.6172 174.2616 62 Y 5.2044 9.4894 123.5715 57.1409 40.3579 174.5636 63 T 5.1746 8.7650 114.8753 61.2449 71.4402 171.1073 64 P 3.6608 0.0000 0.0000 62.6881 32.1686 177.2595 65 A 4.0239 8.5465 124.4007 54.9895 19.2519 178.3962 66 M 4.3262 7.7973 115.3915 54.1129 33.4259 177.0986 67 E 4.3642 9.1558 122.9077 58.8350 29.9896 179.4131 68 S 4.1560 8.1835 112.5098 60.7131 62.9342 175.2136 69 V 4.2617 7.5920 118.4793 61.5855 31.9205 176.2665 70 C 3.9759 7.8395 114.9027 59.3733 34.0945 173.2809 71 G 4.1732 8.0474 109.2277 44.7507 0.0000 173.4699 72 Y 4.2850 8.9681 127.4913 57.3465 39.4069 174.4881 73 F 4.6938 8.0397 128.6199 56.3720 41.4222 173.5688 74 H 3.6539 7.4021 128.1402 54.3834 30.4446 174.3785 75 R 3.6355 7.7030 126.7148 58.2070 30.7027 176.1616 76 S 3.9192 7.0990 110.6996 58.1088 62.4983 173.4087 77 H 4.2220 9.2102 128.2262 59.5375 28.5973 176.2683 78 N 4.7066 8.0703 116.9642 51.7144 38.0729 177.5385 79 R 4.3096 8.5544 118.8721 56.0489 30.2603 177.3772 80 S 4.2553 7.9555 113.3207 60.5890 62.8104 173.8145 81 E 4.0929 7.6004 121.6198 56.0710 30.0144 175.6668 82 E 4.6852 8.7559 125.7570 56.0572 31.1881 175.3732 83 F 5.2103 9.5176 122.8355 55.5043 42.9259 174.1157 84 L 4.8339 9.4791 125.5493 54.6524 43.4834 175.2572 85 I 4.8144 9.5521 127.9682 59.4546 39.8693 174.3350 86 A 5.2160 8.6723 129.0309 50.3388 21.0458 175.2348 87 G 4.2057 9.0365 108.6920 45.7296 0.0000 171.3096 88 K 5.0033 8.7112 118.9759 55.0488 34.3011 176.0700 89 L 4.9473 9.5127 126.6106 53.9245 43.2416 175.8736 90 Q 4.3225 8.6916 127.9459 55.6423 30.8796 174.2506 *91 D 4.7206 9.4888 124.8101 53.0231 38.2094 171.1412 92 G 4.2569 7.6720 99.6073 47.1069 0.0000 171.9650 93 L 5.1319 7.9295 120.9348 52.3474 45.1881 175.4640 94 L 4.6299 8.5809 124.1407 55.3624 43.4012 174.9976 95 H 5.6154 9.6564 123.9802 54.2915 31.1692 173.6448 96 I 5.1136 9.4145 122.5216 59.9030 41.8309 174.2636 97 T 4.9314 8.6338 113.8205 60.0988 71.8997 174.8209 98 T 4.1306 8.6657 116.8208 66.7335 68.4829 176.0761 99 C 4.5953 7.8883 117.5153 58.5989 40.7749 174.3941 100 S 4.4384 7.4639 116.0117 58.3248 63.4481 174.5227 101 F 4.2560 9.0569 125.7089 58.4790 39.8418 174.1339 102 V 5.1535 8.2670 125.9053 59.9225 33.4281 174.2139 103 A 4.7719 8.0897 128.7936 49.0354 22.7934 173.4062 104 P 3.8843 0.0000 0.0000 61.9926 32.0211 177.6032 105 W 4.2934 9.1445 132.7003 60.6996 30.7645 178.0223 106 N 4.3233 8.0477 114.1313 55.4022 38.2060 176.1105 107 S 4.2610 7.3852 111.6639 59.5494 63.6427 174.7144 108 L 4.0797 7.0906 122.4625 54.5375 41.7828 177.8636 109 S 4.4374 8.2983 118.2616 57.1895 65.3079 172.9893 110 L 3.9706 8.3378 119.5183 57.3438 40.8889 177.5461 111 A 3.6472 8.6180 121.1776 53.1792 17.3909 179.0886 112 Q 3.8730 8.0037 116.8388 58.9974 29.2617 178.1665 113 R 3.8164 7.3626 121.4370 59.8828 29.8570 179.8086 *114 R 4.2610 7.8903 119.1634 60.2140 29.3976 180.6657 115 G 2.6793 7.3611 104.0699 49.0945 0.0000 175.9997 116 F 4.1978 7.0956 117.3294 59.5719 38.8933 177.9402 117 T 4.3680 7.2239 116.8466 66.6022 68.4237 176.4117 *118 K 4.4487 7.0294 114.6396 55.6697 35.8751 177.8171 119 T 4.1153 7.3723 117.6914 67.1499 68.8572 176.4934 120 Y 4.2322 7.4602 118.3888 59.9458 38.0019 177.6431 121 T 3.9806 7.4566 115.5053 65.7151 68.7293 174.8344 122 V 3.8058 6.9804 114.4411 60.3688 32.1133 175.8855 123 G 3.6863 8.5257 110.1110 46.3209 0.0000 174.4402 124 C 4.4826 8.7949 122.0231 57.1243 41.3106 173.7698 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 1 C 8.45 4.66 0.00 3.26 3.10 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 0.00 0.00 0.00 2 T 8.53 4.58 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 3 C 8.48 5.07 0.00 2.96 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 4 V 8.31 4.11 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 0.79 0.00 0.00 0.97 0.00 0.00 5 P 0.00 4.37 0.00 2.30 2.20 0.00 3.81 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 2.01 0.00 6 P 0.00 4.51 0.00 2.28 2.17 0.00 3.97 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 7 H 8.30 4.27 0.00 3.29 3.09 0.00 5.61 0.00 0.00 0.00 0.00 6.74 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 3.58 0.00 1.82 1.96 0.00 3.16 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.04 0.00 9 Q 7.34 2.54 0.00 1.70 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 10 T 7.63 3.84 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 1.15 0.00 0.00 11 A 8.35 4.06 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 12 F 7.72 4.09 0.00 3.05 3.10 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 0.00 0.00 0.00 13 C 7.83 4.53 0.00 3.02 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 14 N 7.91 4.32 0.00 2.73 2.89 0.00 0.00 7.08 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 15 S 7.24 4.50 0.00 3.90 4.01 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 16 D 8.61 4.59 0.00 2.62 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 17 L 8.19 5.54 0.00 1.61 1.50 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 18 V 8.48 5.17 2.34 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 1.00 0.00 0.00 1.25 0.00 0.00 19 I 9.27 5.25 1.82 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 1.29 0.96 0.88 0.00 0.00 20 R 8.52 5.18 0.00 1.67 1.90 0.00 2.45 0.00 0.00 2.84 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.37 0.00 21 A 9.31 4.98 1.08 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 *22 K 8.64 4.83 0.00 1.46 1.67 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.28 1.26 7.81 23 F 9.09 4.47 0.00 2.69 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 V 9.13 3.62 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 0.70 0.00 0.00 0.85 0.00 0.00 25 G 7.58 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 26 T 8.72 4.03 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 1.23 0.00 0.00 27 P 0.00 4.25 0.00 1.74 0.53 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.82 0.00 28 E 8.77 4.35 0.00 1.80 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 2.26 2.25 0.00 29 V 8.34 4.43 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 0.76 0.00 0.00 0.87 0.00 0.00 30 N 8.52 4.71 0.00 2.78 2.73 0.00 0.00 6.81 6.83 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 31 Q 8.21 4.69 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 32 T 7.57 4.78 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 33 T 8.00 4.37 4.34 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 1.28 0.00 0.00 34 L 7.77 3.67 0.00 1.94 1.73 0.94 0.71 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 Y 7.49 5.03 0.00 3.02 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 36 Q 9.33 5.04 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.49 2.29 0.00 37 R 8.44 4.98 0.00 1.31 1.09 0.00 2.21 0.00 0.00 2.50 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.25 0.00 38 Y 8.77 4.88 0.00 3.00 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 39 E 8.91 4.11 0.00 1.97 1.69 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 1.95 1.47 0.00 40 I 8.13 4.71 1.48 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.30 -0.08 0.00 0.00 *41 K 8.77 4.35 0.00 1.43 1.77 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.30 1.24 7.81 42 M 8.43 4.33 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 43 T 8.83 4.43 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 1.14 0.00 0.00 44 K 7.47 4.51 0.00 1.38 1.59 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.72 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.34 1.00 7.81 45 M 8.21 4.77 0.00 1.87 1.83 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 46 Y 8.39 4.86 0.00 3.30 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 47 K 7.15 3.79 0.00 1.80 1.62 0.00 0.61 0.00 0.00 1.35 0.00 0.00 2.67 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.23 1.28 7.81 48 G 10.18 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 *49 F 7.92 3.56 0.00 2.39 2.43 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 *50 Q 7.36 5.55 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.48 0.00 0.00 0.00 0.00 0.00 2.05 1.65 0.00 51 A 7.93 4.36 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 *52 L 8.19 4.12 0.00 1.67 1.50 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.84 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 0.00 0.00 0.00 0.00 *54 D 10.09 4.86 0.00 2.87 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 0.00 0.00 0.00 55 A 8.10 4.76 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 56 A 7.67 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *57 D 8.48 3.84 0.00 2.78 2.45 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 58 I 7.39 4.16 2.05 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 1.44 1.09 0.87 0.00 0.00 59 R 8.27 4.72 0.00 1.74 1.90 0.00 3.00 0.00 0.00 3.15 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.00 0.00 60 F 8.32 5.39 0.00 2.86 2.47 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 0.00 0.00 0.00 0.00 61 V 8.57 4.62 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 0.77 0.00 0.00 0.96 0.00 0.00 62 Y 9.49 5.20 0.00 2.74 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 63 T 8.77 5.17 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 64 P 0.00 3.66 0.00 2.05 1.62 0.00 3.79 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 2.16 1.80 0.00 65 A 8.55 4.02 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 66 M 7.80 4.33 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.47 0.00 67 E 9.16 4.36 0.00 1.97 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 2.57 2.21 0.00 68 S 8.18 4.16 0.00 3.96 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 69 V 7.59 4.26 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 0.76 0.00 0.00 0.93 0.00 0.00 70 C 7.84 3.98 0.00 3.26 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.05 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 72 Y 8.97 4.29 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 73 F 8.04 4.69 0.00 2.83 2.80 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 74 H 7.40 3.65 0.00 1.91 2.63 0.00 5.99 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.70 3.64 0.00 1.62 1.70 0.00 3.37 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 76 S 7.10 3.92 0.00 3.94 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.21 4.22 0.00 3.15 3.37 0.00 5.94 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.07 4.71 0.00 2.65 2.70 0.00 0.00 6.53 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 79 R 8.55 4.31 0.00 2.11 2.14 0.00 3.03 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 80 S 7.96 4.26 0.00 3.89 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 81 E 7.60 4.09 0.00 1.98 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 1.98 2.19 0.00 82 E 8.76 4.69 0.00 2.05 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 2.39 2.37 0.00 83 F 9.52 5.21 0.00 3.39 3.10 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 0.00 0.00 0.00 84 L 9.48 4.83 0.00 1.89 1.79 0.82 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 85 I 9.55 4.81 1.90 0.00 0.00 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 1.17 0.47 0.91 0.00 0.00 86 A 8.67 5.22 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 87 G 9.04 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 0.00 0.00 0.00 0.00 88 K 8.71 5.00 0.00 1.77 1.75 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.56 7.81 89 L 9.51 4.95 0.00 1.60 1.68 1.00 0.40 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 90 Q 8.69 4.32 0.00 1.97 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 5.42 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 *91 D 9.49 4.72 0.00 2.88 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.67 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 0.00 0.00 0.00 0.00 93 L 7.93 5.13 0.00 1.26 1.26 0.09 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.58 4.63 0.00 1.84 1.65 0.96 0.97 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 95 H 9.66 5.62 0.00 3.31 3.30 0.00 5.81 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 9.41 5.11 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.08 0.76 0.00 0.00 97 T 8.63 4.93 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 1.31 0.00 0.00 98 T 8.67 4.13 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 1.30 0.00 0.00 99 C 7.89 4.60 0.00 2.98 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 0.00 100 S 7.46 4.44 0.00 3.83 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 0.00 101 F 9.06 4.26 0.00 3.17 3.10 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 0.00 0.00 0.00 102 V 8.27 5.15 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 0.81 0.00 0.00 0.64 0.00 0.00 103 A 8.09 4.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 3.88 0.00 1.94 1.40 0.00 3.49 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 1.93 1.57 0.00 105 W 9.14 4.29 0.00 3.27 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 0.00 106 N 8.05 4.32 0.00 2.70 2.82 0.00 0.00 6.93 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.39 4.26 0.00 3.88 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 0.00 108 L 7.09 4.08 0.00 1.42 1.38 1.12 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.30 4.44 0.00 3.97 4.01 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 0.00 110 L 8.34 3.97 0.00 1.80 1.80 0.89 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.62 3.65 1.31 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 0.00 0.00 0.00 112 Q 8.00 3.87 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 113 R 7.36 3.82 0.00 1.61 1.79 0.00 2.90 0.00 0.00 2.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.10 0.00 *114 R 7.89 4.26 0.00 1.82 1.93 0.00 3.25 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 115 G 7.36 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 0.00 0.00 0.00 116 F 7.10 4.20 0.00 2.79 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 0.00 117 T 7.22 4.37 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 1.32 0.00 0.00 *118 K 7.03 4.45 0.00 1.76 1.61 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.24 1.23 7.81 119 T 7.37 4.12 3.71 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 1.05 0.00 0.00 120 Y 7.46 4.23 0.00 1.43 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 0.00 0.00 0.00 121 T 7.46 3.98 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 1.38 0.00 0.00 122 V 6.98 3.81 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 0.67 0.00 0.00 0.95 0.00 0.00 123 G 8.53 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 0.00 0.00 0.00 124 C 8.79 4.48 0.00 3.02 3.04 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 * Residues marked with a * may have inaccurate shift predictions.