NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.9094 8.2300 117.6206 52.2584 39.2137 174.5539 3 R 3.7287 8.7137 117.8216 59.1094 29.7759 176.1905 4 Q 4.0201 8.9450 120.0923 59.5763 29.6717 177.5612 5 Q 4.1200 8.2365 118.4510 58.9391 28.6790 178.8401 6 F 4.0844 8.4229 122.0570 61.2714 39.5697 177.2878 7 I 3.8787 8.1265 112.4656 64.0779 37.1456 177.9639 8 D 4.3273 8.1018 120.3972 57.4690 40.7103 177.7876 9 Y 3.9640 8.0478 119.7960 60.7162 38.7844 178.1769 10 A 4.1103 7.8529 121.6138 55.2215 18.4053 179.3824 11 Q 4.1222 7.9941 117.7118 59.0113 28.8536 178.6307 12 K 3.8706 7.6178 118.5076 59.1977 32.5832 179.2830 13 K 3.6219 7.4641 116.4207 58.0827 31.9574 177.2939 14 Y 4.4342 7.2393 113.6213 56.0084 40.6288 174.5232 15 D 5.3090 7.8480 117.2016 54.6425 39.6923 172.9186 16 T 4.6761 8.0250 112.7937 61.4186 70.8061 174.1231 17 K 4.4167 8.4244 127.1445 53.9100 33.4573 174.1956 18 P 3.4875 0.0000 0.0000 62.9847 31.7659 175.2569 19 D 4.7287 8.1101 122.3566 53.0510 43.9952 175.1268 20 H 5.0854 8.2943 117.4512 53.2877 29.0541 171.4018 21 P 4.0780 0.0000 0.0000 64.5004 31.9663 177.2337 22 W 4.6523 8.0367 119.3521 55.5080 29.6989 176.9601 23 E 4.1348 9.0412 122.5701 59.2070 29.5084 178.5535 24 K 3.8670 8.2517 117.8051 58.0785 32.5712 176.6316 25 F 4.4342 7.6776 117.0670 54.2308 38.9447 173.7224 26 P 4.4299 0.0000 0.0000 65.2754 31.7083 178.0910 27 D 4.5867 8.2385 117.2852 57.2005 41.1021 176.8146 28 Y 4.4397 7.8432 115.1934 58.7436 38.4115 175.7375 29 A 4.9883 9.4673 126.0503 50.3591 22.8042 175.2056 30 V 4.6523 8.3201 115.0430 59.4854 35.1363 174.9853 31 F 4.8476 9.0126 121.8279 55.6764 41.8224 174.5889 32 R 5.7983 8.3567 118.8904 53.5839 33.3253 174.1771 33 H 4.8822 8.9164 115.3375 55.2602 29.8754 177.0691 34 S 4.3112 8.8925 115.1575 60.6636 62.8680 174.7741 35 D 4.3918 7.9758 120.3634 55.8513 40.1356 175.8514 36 N 4.6030 8.6180 121.8493 52.8906 38.6707 175.5385 37 D 5.0202 7.9885 116.2658 54.6876 38.8809 173.1146 38 K 4.5354 8.6096 119.2593 55.4769 33.4101 176.7002 39 W 5.1481 9.1751 125.6131 57.1987 29.5410 175.4973 40 Y 5.2685 9.2771 120.2070 56.4589 39.2089 175.2073 41 A 4.9572 7.7502 120.6106 51.2512 23.1173 174.9913 42 L 4.9517 9.0793 124.8379 53.2770 44.7306 175.3873 43 L 4.7732 9.1792 129.1331 53.1302 44.4893 175.0511 *45 D 5.0688 8.6902 121.6816 54.2899 41.9316 174.1998 46 I 4.7530 8.5129 119.2480 57.9873 42.0240 173.1353 47 P 4.4222 0.0000 0.0000 62.1655 32.0376 177.2671 48 A 3.8023 9.1056 126.6492 55.3838 18.0738 179.3108 49 E 3.9666 8.0508 116.5778 59.0984 29.1896 179.3612 50 K 3.8438 7.5239 118.1550 57.8645 32.0531 177.1876 51 I 4.4156 7.2276 111.7404 60.2496 37.8883 175.9711 52 G 4.1773 8.5630 112.9518 46.4818 0.0000 175.0861 53 I 3.9004 7.1943 120.0971 60.5317 38.9944 175.5663 54 N 5.0142 8.4754 126.9288 53.2519 38.8769 170.2854 55 G 3.9301 8.7064 114.0606 45.6569 0.0000 174.2990 56 D 4.6490 8.4525 125.3533 53.1244 39.7907 174.5521 57 K 4.7629 7.3529 120.9454 55.0711 37.1573 177.1275 58 R 4.8572 8.4251 119.6770 55.4625 32.2253 175.9840 59 V 4.5128 8.9659 112.5391 60.1126 36.3828 173.9387 60 D 5.1283 8.5574 122.4867 52.8373 42.6155 175.9059 61 V 4.7283 8.1406 115.6727 59.3264 36.5580 174.3577 62 I 4.7265 8.4548 115.3805 59.2676 40.8360 173.8131 63 D 5.6095 9.1171 125.1030 52.9475 43.1134 175.4869 64 L 5.3588 9.1570 122.3151 52.8384 45.9487 175.3633 65 K 3.8378 8.5830 123.5130 55.3154 33.6592 175.9052 66 V 4.4567 8.0749 119.2045 59.4307 36.4846 174.9375 67 Q 4.1696 8.4869 120.6455 54.8429 28.9790 175.7013 68 P 4.2349 0.0000 0.0000 65.0310 31.0241 177.2985 69 E 4.1075 8.0878 113.8255 56.9933 30.1391 177.1891 70 L 4.6145 8.3145 121.2271 54.4036 42.8515 178.3736 71 V 3.6859 7.3485 118.9243 65.8349 31.1673 178.1235 72 G 3.5760 7.9513 104.2301 47.7986 0.0000 175.4173 73 S 4.2776 7.9376 116.6806 60.9225 63.2194 176.2366 74 L 4.0359 8.1944 123.1153 57.6681 41.2865 179.6893 75 R 3.9685 7.6778 116.0173 58.8915 30.0602 178.6078 76 K 4.1253 7.5393 116.6292 57.3833 32.8037 177.6120 77 K 4.2067 7.8738 119.5514 55.0743 32.7347 174.2661 78 P 4.2369 0.0000 0.0000 63.6756 32.1390 176.7042 79 G 4.0867 8.8683 110.5449 44.7078 0.0000 172.2850 80 I 4.9373 6.6876 119.3074 59.7950 39.2518 174.6201 81 Y 4.7920 9.0314 123.7026 55.0150 42.3528 173.0761 82 P 4.7503 0.0000 0.0000 62.3270 32.1858 176.7824 83 A 4.1503 8.8173 124.5586 52.9902 18.8541 176.1755 84 Y 4.4845 8.8731 123.9372 57.0765 40.2160 175.0782 85 H 3.5235 7.9578 124.3570 56.7579 25.9417 174.4502 *87 N 4.5248 7.9284 116.4764 53.2782 39.6262 174.9301 88 K 4.1245 8.7982 125.2215 59.1935 32.3561 177.8669 89 E 4.2839 8.7242 117.5590 57.8342 29.8856 177.1967 90 H 4.8175 8.3985 113.7945 54.7437 31.8517 173.1903 91 W 5.2424 8.7297 117.1911 54.8512 32.2555 175.2368 92 I 4.8559 8.9013 121.1382 60.0200 41.3931 174.6590 93 T 5.1112 8.7439 121.9065 62.0503 70.9871 173.2110 94 V 4.6894 8.9326 127.7205 61.0636 33.6703 174.4072 95 L 4.4518 8.8670 131.2306 54.5917 42.3149 176.4125 96 L 4.1953 8.6594 127.1450 54.8009 42.8594 176.2874 97 N 4.1898 8.8889 116.2501 54.6984 35.6047 174.0701 98 G 4.3855 7.5984 107.3025 42.8092 0.0000 172.4080 99 P 4.0482 0.0000 0.0000 64.3768 31.4558 176.3686 100 L 4.1425 7.2318 122.1689 54.3745 42.7990 177.1290 101 G 3.7337 8.5105 112.3565 44.2430 0.0000 174.2794 102 A 3.8840 8.5971 125.7247 54.9013 18.3817 180.1543 103 K 3.7218 7.8160 117.2971 59.7548 32.5260 178.4662 104 E 3.9481 8.1058 118.9943 59.3330 29.4396 178.7480 105 I 3.7462 8.2106 120.2194 64.6287 37.1708 177.9639 106 H 4.0753 8.5564 117.6550 58.8885 28.5012 178.0166 107 S 4.2259 8.0960 115.8589 61.4688 62.8336 176.5682 108 L 4.0773 7.8834 122.2131 57.5656 41.4780 179.4659 109 I 3.8761 8.3107 120.2379 64.3443 36.9469 178.1739 110 E 4.3435 8.2535 121.4744 58.9679 29.5998 178.4042 111 D 4.4001 8.6480 119.3595 57.7018 40.7048 178.9725 112 S 4.2852 8.1173 113.6698 60.5397 62.6123 175.7574 113 F 3.8478 8.0343 123.1684 61.4276 38.9385 177.3208 114 Q 3.9797 8.5028 117.8870 58.5955 28.2672 178.1711 115 L 4.1387 7.9460 120.3329 56.7307 42.1158 177.2649 116 T 4.5235 6.9881 106.4279 61.2519 69.3645 173.9375 117 R 3.4784 7.3527 127.7440 56.8739 29.9479 176.0766 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 N 8.23 4.91 0.00 2.95 3.06 0.00 0.00 5.72 6.77 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 3 R 8.71 3.73 0.00 2.18 2.06 0.00 3.39 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 4 Q 8.94 4.02 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.63 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 5 Q 8.24 4.12 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 6 F 8.42 4.08 0.00 3.12 3.28 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 7 I 8.13 3.88 2.22 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.67 1.36 0.00 0.00 8 D 8.10 4.33 0.00 3.01 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 9 Y 8.05 3.96 0.00 3.01 2.93 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 10 A 7.85 4.11 1.21 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 11 Q 7.99 4.12 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 12 K 7.62 3.87 0.00 1.54 1.68 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.61 1.55 7.81 13 K 7.46 3.62 0.00 0.79 0.74 0.00 1.17 0.00 0.00 1.38 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.69 0.22 7.81 14 Y 7.24 4.43 0.00 3.08 2.65 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 15 D 7.85 5.31 0.00 2.76 2.74 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 16 T 8.02 4.68 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 1.46 0.00 0.00 17 K 8.42 4.42 0.00 1.70 1.70 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.33 7.81 18 P 0.00 3.49 0.00 1.83 1.62 0.00 3.74 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 1.92 2.02 0.00 19 D 8.11 4.73 0.00 2.32 2.31 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 20 H 8.29 5.09 0.00 3.01 3.28 0.00 5.71 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.08 0.00 0.60 1.63 0.00 3.47 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.78 0.00 22 W 8.04 4.65 0.00 3.65 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 23 E 9.04 4.13 0.00 2.09 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 0.00 2.31 2.30 0.00 24 K 8.25 3.87 0.00 1.79 1.32 0.00 1.73 0.00 0.00 1.84 0.00 0.00 3.13 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.34 1.46 7.81 25 F 7.68 4.43 0.00 2.66 1.89 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 26 P 0.00 4.43 0.00 2.03 2.10 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 27 D 8.24 4.59 0.00 2.91 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 28 Y 7.84 4.44 0.00 3.14 2.76 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 29 A 9.47 4.99 1.22 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 30 V 8.32 4.65 0.73 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 -0.39 0.00 0.00 0.11 0.00 0.00 31 F 9.01 4.85 0.00 2.27 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 32 R 8.36 5.80 0.00 2.03 2.14 0.00 2.87 0.00 0.00 3.77 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 33 H 8.92 4.88 0.00 3.36 3.45 0.00 5.81 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 34 S 8.89 4.31 0.00 3.92 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 35 D 7.98 4.39 0.00 2.71 2.50 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 0.00 36 N 8.62 4.60 0.00 2.82 2.91 0.00 0.00 5.99 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 37 D 7.99 5.02 0.00 2.91 2.90 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 38 K 8.61 4.54 0.00 1.94 1.90 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.63 7.81 39 W 9.18 5.15 0.00 3.34 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 40 Y 9.28 5.27 0.00 3.01 3.16 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 41 A 7.75 4.96 1.11 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 42 L 9.08 4.95 0.00 1.73 1.50 0.86 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 43 L 9.18 4.77 0.00 1.81 1.86 0.72 1.40 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 *45 D 8.69 5.07 0.00 2.86 2.81 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 46 I 8.51 4.75 1.51 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.48 0.64 0.00 0.00 47 P 0.00 4.42 0.00 2.13 1.98 0.00 3.52 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 2.11 2.08 0.00 48 A 9.11 3.80 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 49 E 8.05 3.97 0.00 2.17 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 2.32 2.22 0.00 50 K 7.52 3.84 0.00 1.43 1.40 0.00 1.97 0.00 0.00 1.84 0.00 0.00 3.22 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.41 1.49 7.81 51 I 7.23 4.42 1.57 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.15 0.58 0.00 0.00 52 G 8.56 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 53 I 7.19 3.90 1.81 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 1.42 1.15 0.70 0.00 0.00 54 N 8.48 5.01 0.00 2.84 2.81 0.00 0.00 6.18 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 55 G 8.71 3.93 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 0.00 56 D 8.45 4.65 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.35 4.76 0.00 1.78 1.81 0.00 1.50 0.00 0.00 1.79 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.39 7.81 58 R 8.43 4.86 0.00 1.69 1.98 0.00 3.33 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 59 V 8.97 4.51 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 0.60 0.00 0.00 0.75 0.00 0.00 60 D 8.56 5.13 0.00 2.60 2.49 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 61 V 8.14 4.73 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 0.76 0.00 0.00 0.74 0.00 0.00 62 I 8.45 4.73 1.57 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.87 -0.19 0.00 0.00 63 D 9.12 5.61 0.00 2.71 2.90 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 64 L 9.16 5.36 0.00 1.69 1.55 1.09 0.55 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 65 K 8.58 3.84 0.00 0.79 1.11 0.00 1.30 0.00 0.00 1.46 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.95 0.51 7.81 66 V 8.07 4.46 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 0.70 0.00 0.00 0.88 0.00 0.00 67 Q 8.49 4.17 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 68 P 0.00 4.23 0.00 2.15 2.26 0.00 3.84 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 1.94 0.00 69 E 8.09 4.11 0.00 2.09 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 2.25 2.26 0.00 70 L 8.31 4.61 0.00 1.75 1.70 0.96 1.03 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 71 V 7.35 3.69 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 1.06 0.00 0.00 0.97 0.00 0.00 72 G 7.95 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.94 4.28 0.00 4.05 4.12 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 0.00 0.00 0.00 0.00 74 L 8.19 4.04 0.00 1.92 1.75 0.96 0.87 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 75 R 7.68 3.97 0.00 1.86 1.99 0.00 3.20 0.00 0.00 3.36 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 76 K 7.54 4.13 0.00 1.98 1.83 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.44 7.81 77 K 7.87 4.21 0.00 1.86 1.68 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.34 7.81 78 P 0.00 4.24 0.00 2.14 2.00 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 79 G 8.87 4.09 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 0.00 0.00 0.00 80 I 6.69 4.94 1.90 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 1.24 0.67 0.92 0.00 0.00 81 Y 9.03 4.79 0.00 2.89 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 82 P 0.00 4.75 0.00 2.04 2.06 0.00 3.89 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 83 A 8.82 4.15 1.45 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 84 Y 8.87 4.48 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 85 H 7.96 3.52 0.00 2.84 3.12 0.00 5.80 0.00 0.00 0.00 0.00 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *87 N 7.93 4.52 0.00 2.85 3.06 0.00 0.00 7.07 7.41 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 88 K 8.80 4.12 0.00 1.84 1.92 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.50 7.81 89 E 8.72 4.28 0.00 2.20 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 2.31 2.30 0.00 90 H 8.40 4.82 0.00 3.23 3.19 0.00 5.56 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 W 8.73 5.24 0.00 3.31 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 92 I 8.90 4.86 2.06 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 1.27 1.02 0.98 0.00 0.00 93 T 8.74 5.11 4.46 0.00 0.00 0.00 0.00 0.00 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 94 V 8.93 4.69 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 1.01 0.00 0.00 0.97 0.00 0.00 95 L 8.87 4.45 0.00 1.75 1.83 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.66 4.20 0.00 1.68 1.54 0.75 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.89 4.19 0.00 2.98 2.90 0.00 0.00 6.60 7.99 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 98 G 7.60 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 0.00 0.00 0.00 0.00 99 P 0.00 4.05 0.00 2.18 2.20 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.97 0.00 100 L 7.23 4.14 0.00 1.46 1.60 0.91 1.02 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 0.00 101 G 8.51 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 0.00 0.00 0.00 102 A 8.60 3.88 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 0.00 103 K 7.82 3.72 0.00 1.80 1.78 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.51 7.81 104 E 8.11 3.95 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 2.36 2.46 0.00 105 I 8.21 3.75 1.91 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 1.51 0.64 0.94 0.00 0.00 106 H 8.56 4.08 0.00 3.22 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.10 4.23 0.00 4.12 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 0.00 108 L 7.88 4.08 0.00 1.95 1.81 0.94 0.79 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 0.00 109 I 8.31 3.88 2.30 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.50 1.21 0.00 0.00 110 E 8.25 4.34 0.00 2.38 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 111 D 8.65 4.40 0.00 2.94 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.12 4.29 0.00 3.98 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 0.00 113 F 8.03 3.85 0.00 2.73 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 0.00 114 Q 8.50 3.98 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.60 0.00 0.00 0.00 0.00 0.00 2.83 2.58 0.00 115 L 7.95 4.14 0.00 1.88 1.61 0.87 0.68 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 0.00 116 T 6.99 4.52 4.36 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 1.37 0.00 0.00 117 R 7.35 3.48 0.00 1.78 1.71 0.00 3.40 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.