NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5408 8.1927 115.4255 57.5883 64.7135 174.1581 3 W 4.0771 8.7430 129.0866 59.8455 30.3818 176.0190 4 Q 3.8306 8.1015 119.5736 59.2165 28.9557 177.6950 5 T 3.9045 8.0584 111.0033 64.7745 68.6945 175.9926 6 Y 4.1187 7.6885 121.5241 60.5818 39.0022 177.8452 7 V 3.2436 7.5010 118.9619 65.9579 31.5312 177.2228 8 D 4.2982 8.4467 118.5057 57.8037 40.6861 178.8815 9 E 3.8629 8.1927 118.3769 58.8525 29.5651 177.5576 10 H 4.5167 7.8465 113.1176 55.2560 29.9804 174.3443 11 L 4.4600 7.5830 119.0493 54.9284 43.2890 176.5856 12 M 4.2299 7.4347 117.8990 54.2054 32.9419 175.3582 *22 L 4.1166 8.0605 121.1228 54.8695 43.1082 176.7783 23 A 4.3241 9.0131 127.0348 55.0198 18.9929 177.5027 24 A 4.5777 7.8523 113.4631 51.8689 22.6450 175.3369 25 S 5.1489 8.5454 113.3635 57.5368 66.7888 172.5869 26 A 4.5946 8.1713 121.7120 51.2376 23.0167 175.3960 27 I 4.9009 8.7874 121.1218 59.6086 40.3379 175.3058 28 V 4.5653 8.3580 120.1143 58.9576 35.6340 175.9514 29 G 3.8719 8.7741 112.0416 46.2524 0.0000 174.3994 30 H 4.5533 8.6484 118.2417 57.9002 28.7448 176.3884 31 D 4.6326 8.1981 117.3699 53.1910 39.7251 177.3194 32 G 4.1637 8.6324 109.6757 45.4285 0.0000 174.2503 33 S 4.4642 8.4427 115.0617 57.8677 63.9472 173.4077 34 V 4.4896 8.4016 122.3613 62.1708 32.1652 175.4514 35 W 4.9684 9.1035 127.3095 58.7253 30.5013 176.8894 36 A 5.0449 7.9872 118.0557 51.2037 21.9196 175.4244 37 Q 4.8952 8.6833 119.1083 54.4978 31.8667 174.7646 38 S 4.5026 8.8902 116.7650 58.1060 64.1207 175.1553 39 S 4.1610 9.3484 117.7705 61.5977 62.6567 176.0731 40 S 4.6925 7.9026 112.5975 57.9066 63.1782 173.9030 41 F 4.2443 8.1269 124.0029 57.2127 39.6700 173.3075 42 P 4.3846 0.0000 0.0000 62.1468 32.1818 175.5464 43 Q 4.1563 8.3948 121.2134 55.6119 29.6747 174.8955 44 F 5.1798 7.6116 118.5517 54.9282 41.4541 173.8775 45 K 4.6602 8.7152 119.5260 53.9794 34.0101 176.1076 46 P 4.4809 0.0000 0.0000 66.4585 30.9519 178.8656 47 Q 4.0589 8.1549 117.2508 58.7581 28.5195 178.2353 48 E 4.0949 8.3648 119.8491 59.5240 29.4775 179.4365 49 I 3.9077 7.7780 119.4164 64.3985 37.3047 178.4272 50 T 4.0240 8.2571 117.0828 66.5571 68.0747 176.8629 51 G 3.7142 7.9631 106.4445 47.8806 0.0000 175.5178 52 I 3.7611 7.5934 122.3645 64.4138 37.0267 178.3957 53 M 4.2900 8.2555 119.5716 58.4620 31.7092 178.8094 54 K 3.9758 8.2121 119.7037 59.2449 32.1160 178.2626 55 D 4.5224 7.6354 116.8704 56.5743 41.4630 177.6279 56 F 4.3790 7.7511 117.9785 59.4087 38.7184 177.1970 57 E 4.2753 7.9667 118.0833 57.3169 31.0498 176.1478 58 E 4.5436 8.2694 121.5497 52.7563 30.0799 172.5204 59 P 4.3696 0.0000 0.0000 64.4016 31.6769 177.0826 60 G 3.9584 8.8889 110.1106 45.3780 0.0000 174.5995 61 H 3.9727 7.8530 119.0868 58.9231 30.1568 176.3128 62 L 4.0827 9.0746 119.0028 56.5381 42.1033 178.7207 63 A 3.9434 7.3578 121.4456 54.7544 18.3331 176.8940 64 P 4.3512 0.0000 0.0000 65.4101 31.1652 177.0645 65 T 4.2751 7.9186 105.5980 60.4662 69.7651 175.3751 66 G 4.0155 8.4288 107.2052 45.7347 0.0000 172.4326 67 L 4.5463 8.7750 121.4756 53.5430 43.2195 175.1402 68 H 5.8589 8.6245 122.0926 53.3742 31.2332 173.9913 69 L 4.4768 8.4933 124.9962 54.9332 43.9161 175.4482 70 G 4.1498 10.6217 116.5704 46.5569 0.0000 174.4237 71 G 4.0526 8.8557 109.6893 45.0316 0.0000 174.9469 72 I 3.9212 7.6253 121.4301 60.9172 38.4072 174.8695 73 K 4.6675 8.3067 127.6250 55.3130 33.4727 174.9710 74 Y 4.8021 9.1727 125.3073 56.2180 41.3715 174.4855 75 M 4.5402 9.1670 124.6262 54.9053 33.4952 175.5932 76 V 4.2995 8.4865 126.9516 63.1755 32.5755 174.6869 77 I 4.7409 8.3196 120.3196 58.7567 41.1942 174.1809 78 Q 3.9404 8.9108 120.7619 56.9666 28.8838 176.5054 79 G 4.1689 8.3303 115.7516 44.1727 0.0000 171.7143 80 E 4.3827 8.9203 123.1364 53.7569 31.1582 176.1781 81 A 4.0236 8.6571 129.4921 53.9916 18.5521 178.2811 82 G 4.5932 9.1487 109.9924 45.3532 0.0000 173.4978 83 A 4.6320 7.9970 118.7205 52.6179 22.1911 176.7883 84 V 5.1083 8.5781 114.0993 60.2312 35.2657 174.7390 85 I 4.7800 8.8518 124.0270 59.6525 40.2696 174.8213 86 R 5.1574 8.4101 123.0947 54.6067 34.6867 174.3475 87 G 4.5353 9.0598 107.9861 44.6433 0.0000 171.3956 88 K 5.3268 9.1858 120.3925 54.3553 36.0630 175.6820 89 K 4.4949 9.0122 124.8534 54.8268 35.3723 176.5881 90 G 3.7820 8.9814 118.2114 46.7794 0.0000 175.6529 91 S 4.2849 8.9049 118.6586 59.5908 63.2445 173.8744 92 G 4.0131 7.3827 111.1413 45.6634 0.0000 170.2628 93 G 4.1283 6.1078 104.9053 46.5790 0.0000 172.1910 94 I 5.3170 7.9541 118.8679 59.8699 42.2434 175.3587 95 T 5.1492 9.0337 123.0639 61.8828 72.6052 173.0113 96 I 4.7968 8.6641 125.9016 59.3090 40.9909 174.0741 97 K 4.8578 8.8704 128.8354 54.3609 34.6181 174.6970 98 K 4.3668 8.3615 129.5151 55.6172 33.0662 175.6797 99 T 4.6307 8.4316 117.0123 59.1346 71.8192 173.7774 100 G 3.9047 8.8213 109.4956 48.4552 0.0000 174.0839 101 Q 4.2126 7.8871 117.4388 54.7793 31.0088 173.4366 102 A 4.7907 7.5127 117.6600 50.5422 23.2249 174.0523 103 L 4.9234 8.2092 115.5426 53.2109 45.5967 176.2451 104 V 4.6552 8.6041 124.5100 61.4203 33.4437 174.3423 105 F 5.2124 9.4296 127.2017 55.7356 41.9817 175.0930 106 G 4.4816 9.1902 109.5588 44.8810 0.0000 171.1899 107 I 5.1685 9.1773 127.5665 59.6098 39.9631 174.6675 108 Y 5.2612 8.6559 124.4490 55.3057 41.6600 174.0399 109 E 4.8728 8.5478 118.6834 54.0610 33.1138 173.7091 110 E 4.3679 8.6886 123.1995 55.9818 30.0992 174.4552 111 P 4.8582 0.0000 0.0000 62.5743 31.9503 175.8326 112 V 3.7695 8.3360 119.3509 63.7827 32.1874 176.0055 113 T 4.4320 7.9877 116.3583 59.5563 71.9767 173.9544 114 P 3.2494 0.0000 0.0000 65.9957 31.0892 178.9416 115 G 3.5883 7.7791 104.7919 47.3645 0.0000 175.3904 116 Q 3.9048 7.8113 121.9052 58.9553 29.0436 177.7109 117 C 4.0553 7.9064 119.7597 62.4977 31.5462 175.0510 118 N 4.2316 8.5000 118.3620 56.6472 38.1974 176.6154 119 M 3.9077 7.9481 119.3327 59.0104 32.2001 178.5494 120 V 3.5735 7.5312 117.9434 65.9744 31.7060 178.1806 121 V 3.6007 7.9804 118.1837 65.8457 31.3494 177.6929 122 E 3.9060 8.5023 119.5150 59.1334 29.5205 178.6228 123 R 3.9236 8.0576 118.7900 59.5705 30.1065 178.5449 124 L 4.1912 8.0817 118.9045 57.5233 41.5474 179.7274 125 G 3.5375 8.1853 105.7731 47.8501 0.0000 175.0143 126 D 4.3598 8.5427 121.6400 57.1149 41.3309 177.5909 127 Y 4.1848 8.0931 119.7532 60.9024 38.7450 178.3939 128 L 3.9210 8.0355 119.4670 57.9885 41.7695 179.3935 129 I 3.9085 8.0408 121.4657 63.8525 36.7692 177.7773 130 D 4.3256 8.0182 117.9110 57.1118 41.0071 177.4616 131 Q 4.4147 7.1831 114.6105 55.3506 28.8944 176.5808 132 G 3.9049 8.0978 108.0106 45.5637 0.0000 174.1838 133 L 4.3711 8.0229 125.6019 54.6635 41.8852 176.3005 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 2 S 8.19 4.54 0.00 4.13 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 3 W 8.74 4.08 0.00 3.56 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 4 Q 8.10 3.83 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.70 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 5 T 8.06 3.90 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 1.23 0.00 0.00 6 Y 7.69 4.12 0.00 2.91 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 7 V 7.50 3.24 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 0.96 0.00 0.00 -0.10 0.00 0.00 8 D 8.45 4.30 0.00 2.61 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 9 E 8.19 3.86 0.00 1.89 2.20 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 2.01 2.24 0.00 10 H 7.85 4.52 0.00 2.49 2.91 0.00 5.87 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.58 4.46 0.00 1.53 1.64 0.86 0.89 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 12 M 7.43 4.23 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.50 0.00 *22 L 8.06 4.12 0.00 1.80 1.65 0.96 1.12 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 23 A 9.01 4.32 1.36 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 0.00 0.00 24 A 7.85 4.58 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 0.00 0.00 0.00 0.00 0.00 25 S 8.55 5.15 0.00 3.97 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.17 4.59 -0.05 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 27 I 8.79 4.90 1.98 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.83 0.75 0.00 0.00 28 V 8.36 4.57 2.24 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 0.55 0.00 0.00 0.94 0.00 0.00 29 G 8.77 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 30 H 8.65 4.55 0.00 3.21 3.35 0.00 5.65 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 31 D 8.20 4.63 0.00 2.87 2.87 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 32 G 8.63 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 0.00 0.00 0.00 33 S 8.44 4.46 0.00 4.24 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 34 V 8.40 4.49 2.23 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 0.99 0.00 0.00 1.15 0.00 0.00 35 W 9.10 4.97 0.00 3.35 3.35 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 0.00 36 A 7.99 5.04 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 0.00 0.00 0.00 0.00 0.00 37 Q 8.68 4.90 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 38 S 8.89 4.50 0.00 4.10 4.04 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 39 S 9.35 4.16 0.00 3.86 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 40 S 7.90 4.69 0.00 3.89 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 41 F 8.13 4.24 0.00 3.14 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 42 P 0.00 4.38 0.00 2.04 1.85 0.00 2.20 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.54 0.00 43 Q 8.39 4.16 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 44 F 7.61 5.18 0.00 3.30 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 45 K 8.72 4.66 0.00 1.92 2.10 0.00 1.70 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.44 7.81 46 P 0.00 4.48 0.00 2.33 2.40 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 47 Q 8.15 4.06 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 48 E 8.36 4.09 0.00 2.37 2.25 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 2.43 2.46 0.00 49 I 7.78 3.91 2.13 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.13 1.01 0.00 0.00 50 T 8.26 4.02 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 1.25 0.00 0.00 51 G 7.96 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 0.00 0.00 0.00 0.00 52 I 7.59 3.76 2.06 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.00 0.89 0.00 0.00 53 M 8.26 4.29 0.00 2.07 2.28 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.89 0.00 54 K 8.21 3.98 0.00 1.99 1.78 0.00 1.45 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.16 1.25 7.81 55 D 7.64 4.52 0.00 2.74 2.40 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 56 F 7.75 4.38 0.00 3.20 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 57 E 7.97 4.28 0.00 2.15 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 0.00 2.26 2.40 0.00 58 E 8.27 4.54 0.00 1.97 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 2.20 2.22 0.00 59 P 0.00 4.37 0.00 2.03 2.00 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 60 G 8.89 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 0.00 0.00 0.00 61 H 7.85 3.97 0.00 3.26 3.47 0.00 5.75 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 9.07 4.08 0.00 1.63 1.64 0.81 1.01 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 63 A 7.36 3.94 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 64 P 0.00 4.35 0.00 2.17 2.19 0.00 3.72 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 1.94 0.00 65 T 7.92 4.28 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 1.20 0.00 0.00 66 G 8.43 4.02 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 0.00 0.00 0.00 67 L 8.78 4.55 0.00 1.67 1.76 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.62 5.86 0.00 3.22 3.37 0.00 5.81 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 69 L 8.49 4.48 0.00 1.73 1.66 0.78 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 70 G 10.62 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 0.00 0.00 0.00 71 G 8.86 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 72 I 7.63 3.92 1.86 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 1.24 0.78 0.39 0.00 0.00 73 K 8.31 4.67 0.00 1.66 1.57 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.25 1.20 7.81 74 Y 9.17 4.80 0.00 2.87 2.78 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 75 M 9.17 4.54 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 76 V 8.49 4.30 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 0.81 0.00 0.00 0.90 0.00 0.00 77 I 8.32 4.74 1.88 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 1.37 0.86 0.98 0.00 0.00 78 Q 8.91 3.94 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 79 G 8.33 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 80 E 8.92 4.38 0.00 1.98 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 2.19 2.26 0.00 81 A 8.66 4.02 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 82 G 9.15 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 83 A 8.00 4.63 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 84 V 8.58 5.11 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 0.80 0.00 0.00 0.94 0.00 0.00 85 I 8.85 4.78 1.67 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 0.77 0.17 0.74 0.00 0.00 86 R 8.41 5.16 0.00 1.70 1.78 0.00 3.30 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 87 G 9.06 4.54 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 88 K 9.19 5.33 0.00 1.66 1.71 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.53 7.81 89 K 9.01 4.49 0.00 1.42 1.49 0.00 1.52 0.00 0.00 0.98 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.15 1.08 7.81 90 G 8.98 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 91 S 8.90 4.28 0.00 3.84 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 92 G 7.38 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 0.00 0.00 0.00 93 G 6.11 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 94 I 7.95 5.32 1.17 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.49 0.42 0.00 0.00 95 T 9.03 5.15 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 96 I 8.66 4.80 1.74 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.55 0.07 0.00 0.00 97 K 8.87 4.86 0.00 1.73 1.54 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.22 1.27 7.81 98 K 8.36 4.37 0.00 0.79 0.95 0.00 1.50 0.00 0.00 1.25 0.00 0.00 2.82 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.10 0.80 7.81 99 T 8.43 4.63 4.29 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 1.13 0.00 0.00 100 G 8.82 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 0.00 0.00 0.00 101 Q 7.89 4.21 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.54 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 102 A 7.51 4.79 0.42 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 0.00 0.00 103 L 8.21 4.92 0.00 1.80 1.40 0.81 0.81 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 0.00 104 V 8.60 4.66 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 1.04 0.00 0.00 0.89 0.00 0.00 105 F 9.43 5.21 0.00 2.82 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 G 9.19 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.18 5.17 1.99 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 1.01 1.01 0.00 0.00 108 Y 8.66 5.26 0.00 3.02 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 0.00 109 E 8.55 4.87 0.00 2.04 1.80 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 2.27 2.33 0.00 110 E 8.69 4.37 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 2.31 2.39 0.00 111 P 0.00 4.86 0.00 2.23 2.12 0.00 3.85 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 1.94 1.95 0.00 112 V 8.34 3.77 2.42 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 0.85 0.00 0.00 1.03 0.00 0.00 113 T 7.99 4.43 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 1.17 0.00 0.00 114 P 0.00 3.25 0.00 2.16 2.28 0.00 3.56 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 1.98 2.03 0.00 115 G 7.78 3.59 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 0.00 116 Q 7.81 3.90 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 117 C 7.91 4.06 0.00 2.87 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 0.00 118 N 8.50 4.23 0.00 2.81 2.83 0.00 0.00 6.69 7.54 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 0.00 119 M 7.95 3.91 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 120 V 7.53 3.57 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 0.92 0.00 0.00 0.95 0.00 0.00 121 V 7.98 3.60 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 0.90 0.00 0.00 0.99 0.00 0.00 122 E 8.50 3.91 0.00 2.20 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 0.00 2.29 2.45 0.00 123 R 8.06 3.92 0.00 2.02 2.11 0.00 3.11 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 124 L 8.08 4.19 0.00 2.07 1.73 0.83 0.96 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 0.00 125 G 8.19 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 0.00 126 D 8.54 4.36 0.00 2.82 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 0.00 127 Y 8.09 4.18 0.00 3.19 3.25 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 0.00 128 L 8.04 3.92 0.00 1.90 1.74 0.95 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 129 I 8.04 3.91 1.92 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 1.36 1.42 0.89 0.00 0.00 130 D 8.02 4.33 0.00 2.81 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 0.00 131 Q 7.18 4.41 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.65 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 132 G 8.10 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 0.00 0.00 0.00 133 L 8.02 4.37 0.00 1.93 1.77 1.03 0.86 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 * Residues marked with a * may have inaccurate shift predictions.