NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7839 8.2085 109.7375 44.9371 0.0000 174.8837 *2 A 4.3219 7.8270 121.6381 51.3541 20.0240 177.3987 3 D 4.6247 7.7334 116.7773 52.9802 42.8881 175.5268 4 P 4.2683 0.0000 0.0000 65.9273 31.1440 178.8397 5 K 3.9558 7.9714 118.8545 59.4944 32.3106 178.5822 6 E 4.0352 8.1189 118.4100 59.3269 29.4095 179.2434 7 L 4.0268 7.8371 118.6508 57.7195 41.7061 179.2369 8 Q 3.9384 8.3471 119.7245 59.2873 29.0129 177.9926 9 D 4.5728 8.3411 119.8456 57.5600 40.9313 179.0374 10 K 4.0287 8.2385 118.8464 59.3474 32.0237 178.9619 11 F 4.0910 8.3961 120.9221 61.3023 39.2754 177.1268 12 W 4.0568 8.0725 118.3014 59.5610 28.7291 178.4999 13 K 3.9274 8.2234 119.3339 59.4712 31.5873 178.8277 14 A 4.0514 8.0692 121.0837 54.9868 18.3420 179.3456 15 L 3.2405 7.7323 119.2970 57.9090 41.7800 179.1857 16 K 3.9369 7.9288 118.9408 59.3054 32.2177 178.5054 17 S 4.3467 7.7775 113.4076 60.5758 63.4140 175.3224 18 D 4.5778 8.4441 121.1930 53.7939 41.6994 177.9202 19 R 4.3922 8.3761 123.2397 57.3724 29.7069 176.7886 20 T 4.4696 7.9629 113.8089 63.6751 69.3824 173.4050 21 V 4.7358 8.2475 128.4855 61.9236 33.4165 173.4431 *23 L 4.2914 8.3902 116.1953 54.6888 43.4098 176.3592 24 G 4.4261 8.5823 109.6674 44.0840 0.0000 171.2085 25 L 4.6381 8.7082 125.3563 54.2952 42.5795 176.3344 26 D 4.3614 8.6763 126.6816 54.5595 42.1917 175.6525 27 G 3.9407 8.1623 110.2195 46.6331 0.0000 173.7533 28 V 4.5022 7.4729 110.5328 58.6605 34.9912 174.7074 29 E 3.8125 8.1914 121.5416 57.6079 29.9329 176.0222 30 D 4.6031 7.6728 127.5994 52.4339 41.4731 176.9823 31 G 3.6282 8.5243 116.8185 46.7106 0.0000 171.9047 32 H 4.0156 7.9179 115.4014 56.5841 26.6050 175.2181 33 A 4.9226 8.1588 120.2414 51.8407 18.8699 178.3833 34 R 4.7000 8.2043 117.5961 54.4417 32.1196 173.0545 35 P 4.9536 0.0000 0.0000 61.9858 33.0917 175.9823 *37 T 4.1198 8.2816 116.0636 63.1788 68.7497 173.8408 38 A 3.7134 8.9506 129.6813 51.7843 19.2394 176.6577 39 Q 4.7523 8.8594 120.1648 54.0165 33.0391 174.4936 40 I 5.0902 8.2797 115.2297 59.0990 40.9263 174.6531 41 E 4.1519 8.9399 123.5245 56.8645 30.4576 178.1766 42 G 3.7757 8.5107 111.6541 45.1060 0.0000 171.9610 43 D 4.6260 8.4185 116.4355 54.7765 41.8678 176.0972 44 S 3.8798 7.0579 111.5078 56.7002 66.2863 170.8301 45 G 3.3983 5.3800 113.1266 44.6356 0.0000 174.3316 46 G 3.9866 8.0491 109.1070 44.6457 0.0000 171.2778 47 P 4.5491 0.0000 0.0000 62.6092 32.4404 176.3290 48 I 4.2181 8.3875 123.2404 59.8969 38.7151 174.9747 49 W 5.1344 8.9221 127.7976 55.1405 31.7515 175.5994 50 F 5.2599 9.1074 121.4204 55.7331 42.0768 174.3373 51 F 4.7833 9.1908 123.2878 58.0602 39.8358 174.6237 52 T 4.7034 9.4990 117.0655 61.4825 71.7287 171.8379 53 S 5.3721 8.4822 117.4935 56.0998 64.4991 175.5559 54 K 4.0348 9.0392 123.3876 59.1831 32.1543 176.8146 55 D 4.8033 7.9868 116.8162 53.0109 39.6556 175.5482 56 N 4.4238 8.2071 119.6156 53.5573 39.5013 175.4464 57 A 3.9748 8.8857 128.7569 55.5482 18.6903 178.5726 58 L 4.0656 7.7416 113.6469 58.1880 41.9378 178.6147 59 I 3.8096 7.4480 117.9529 64.6562 37.0102 179.4560 60 A 4.2164 7.6796 121.4122 52.0394 17.6847 178.5934 *62 L 4.3903 8.2425 121.2198 55.6523 44.8059 179.6825 63 G 3.8641 7.7391 104.2505 46.7925 0.0000 176.1301 64 Q 4.0196 8.8377 126.4286 56.6605 29.1433 173.9017 65 G 3.8822 6.8472 102.8388 43.9190 0.0000 173.2324 66 R 4.7554 8.4468 122.3578 53.7718 34.4842 174.9180 67 R 4.5742 8.4690 122.3382 56.6143 31.5011 175.5899 68 V 4.9410 9.0636 118.2938 59.7283 36.8830 174.1866 69 I 4.8615 8.3915 122.3375 59.5152 40.2971 174.9479 70 G 4.2208 9.2251 114.3654 44.3447 0.0000 172.0031 71 A 4.9086 8.7069 128.9593 51.0138 19.6535 176.0508 72 F 5.1161 9.7327 125.7680 56.5519 42.7592 174.1087 73 S 4.5672 7.3686 118.7685 55.8912 66.0101 173.8950 74 S 4.1483 8.0831 117.2872 57.9963 63.6483 175.1487 75 K 3.7801 9.3755 123.2702 59.5558 31.9362 178.1072 76 G 3.7275 7.9372 104.2332 45.6158 0.0000 172.9969 77 H 3.7176 7.8686 115.8012 56.7216 26.7412 175.4782 78 D 4.6868 7.8117 120.3394 54.8445 41.0031 175.5130 79 L 5.1608 7.7334 121.5089 53.4107 45.9885 174.7497 80 F 5.3874 9.8199 124.1668 55.7443 42.7020 174.1256 81 A 5.4338 9.8697 123.9290 50.5382 23.0965 174.7593 82 S 5.2148 9.5375 117.4504 56.8311 64.7261 172.7291 83 I 4.6695 8.8527 129.4836 59.7927 39.0020 174.6749 84 S 5.0129 8.3904 122.6039 56.6829 64.7025 173.5886 85 G 4.0616 7.7835 111.3220 46.5328 0.0000 171.0035 86 S 5.2958 8.2085 114.4083 56.3243 64.9332 173.2299 87 L 5.3681 8.8559 129.2626 53.3323 44.6109 175.2339 88 R 4.8766 8.6476 121.2166 54.9199 33.6578 173.1611 89 E 4.6840 8.6298 120.8673 55.6029 30.4322 176.2684 90 D 4.7295 8.9226 126.4469 53.2710 41.1438 175.6151 91 T 4.2094 7.8456 120.2110 62.0839 67.5321 173.1033 92 D 4.6248 7.8250 122.3338 52.2871 42.7562 173.6341 93 P 4.1366 0.0000 0.0000 66.3674 31.0552 178.1706 94 A 3.9172 8.1769 120.2107 54.7541 18.1772 179.8633 95 V 3.2251 7.4806 116.3274 65.7830 31.7336 177.9607 96 V 3.7368 7.8713 118.4755 66.3594 31.0495 177.6066 97 D 4.3370 7.8595 116.7648 57.5904 40.7865 178.8725 98 R 4.0908 7.5202 116.3801 59.2767 30.2273 178.8075 99 L 4.2628 8.0133 116.5689 55.0330 42.1358 177.4397 100 W 4.1465 7.6690 129.6980 57.6247 31.3109 175.0059 101 N 4.8949 7.3264 121.3382 50.2517 40.9662 173.7355 102 P 4.2882 0.0000 0.0000 65.3873 31.0096 178.7375 103 Y 4.0104 7.5181 114.7280 61.0725 38.2435 178.1775 104 V 3.7289 8.3713 119.2370 65.7770 31.5014 177.4999 105 A 3.6783 7.5862 120.6428 55.3753 17.8794 179.2192 106 A 3.8216 7.7545 117.7023 55.3691 18.4233 179.5925 107 W 4.2727 7.9323 115.3104 57.4119 29.2045 175.8863 108 Y 4.8035 7.9041 119.6038 56.5432 39.5190 176.8869 109 E 4.0688 9.2141 122.2592 58.8591 30.0274 174.7134 110 G 3.9167 8.4759 105.3783 45.3196 0.0000 175.7701 111 G 3.9907 7.9478 108.7868 46.2680 0.0000 176.4995 112 K 3.4621 8.0694 119.5652 58.8239 32.1994 177.6132 113 D 4.4008 7.7384 116.3500 54.6713 41.2223 175.6257 114 D 4.3919 7.5508 119.5637 54.0733 41.2987 174.4499 115 P 4.3902 0.0000 0.0000 66.1698 31.4040 177.6359 116 K 4.5139 8.4862 120.2243 55.0777 31.7537 178.4911 117 L 5.5208 7.9111 121.3935 53.9182 45.0315 175.4585 118 A 4.8663 9.5450 126.5923 50.2294 23.3574 174.5364 119 L 5.0284 8.8779 122.2630 53.3309 44.9274 175.3329 120 L 5.1826 9.1823 127.3531 53.5072 44.0881 175.7438 121 R 4.5007 9.0597 119.4743 54.1247 32.1914 174.2970 122 L 4.7190 8.9155 125.8948 53.5898 44.0046 175.2224 123 D 4.8769 9.0604 128.7345 53.0330 41.3663 175.6750 124 A 4.3645 8.4678 126.1830 52.1527 18.7741 176.0125 125 D 4.6941 9.1281 124.0268 56.1557 41.9671 175.8636 126 H 4.9383 7.6225 110.9923 54.6612 32.2457 171.1365 127 A 4.8599 8.0607 118.9199 50.3255 22.2468 175.1102 128 Q 4.1134 8.6390 122.3087 54.4593 30.8918 174.3343 129 I 4.8828 7.7029 126.6568 59.2275 40.0711 174.7496 130 W 4.7805 9.6991 127.5291 54.8578 31.4663 175.1571 131 L 4.7674 8.7890 125.2102 54.3719 42.5041 176.3707 132 N 4.6923 8.9902 122.5234 52.5420 38.9379 174.5578 133 G 4.2514 8.5650 122.3414 44.9908 0.0000 171.7837 134 S 4.6996 8.3786 116.5769 56.6630 66.0965 173.5928 135 S 4.6116 8.3840 115.7891 56.1965 64.7471 173.3579 136 L 4.1313 8.4846 127.6908 54.3217 42.3845 176.4888 137 L 4.3225 8.2864 125.7890 53.4995 42.7338 176.3039 138 A 4.1256 8.2906 123.1104 51.9957 18.8286 178.0168 139 G 3.7203 8.4800 110.9966 45.4616 0.0000 173.3450 140 I 4.4149 7.9916 122.1111 58.8929 39.3460 175.5522 141 K 4.2642 8.6181 126.0485 55.8704 32.6553 177.0961 142 V 4.5506 7.9856 121.9030 59.7236 34.5646 174.7582 143 L 4.4989 8.2994 120.8341 53.7421 42.8604 176.2132 144 L 4.8006 8.5169 121.3369 52.4603 44.6842 176.9061 145 G 3.7567 8.4070 107.9435 46.7487 0.0000 172.7507 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 0 G 8.21 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 *2 A 7.83 4.32 1.30 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 0.00 0.00 0.00 0.00 0.00 3 D 7.73 4.62 0.00 2.78 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 4 P 0.00 4.27 0.00 2.25 2.28 0.00 3.69 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 2.07 2.01 0.00 5 K 7.97 3.96 0.00 1.91 1.86 0.00 1.67 0.00 0.00 1.86 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.62 7.81 6 E 8.12 4.04 0.00 2.16 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 2.40 1.97 0.00 7 L 7.84 4.03 0.00 1.68 1.68 0.96 0.99 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 8 Q 8.35 3.94 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.76 2.52 0.00 9 D 8.34 4.57 0.00 2.97 2.79 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 10 K 8.24 4.03 0.00 2.03 1.93 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.65 7.81 11 F 8.40 4.09 0.00 2.98 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 12 W 8.07 4.06 0.00 3.42 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 13 K 8.22 3.93 0.00 2.02 2.00 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.48 7.81 14 A 8.07 4.05 1.58 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 15 L 7.73 3.24 0.00 0.37 1.20 0.45 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.93 3.94 0.00 1.86 1.81 0.00 1.91 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.43 7.81 17 S 7.78 4.35 0.00 4.02 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 18 D 8.44 4.58 0.00 3.02 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 19 R 8.38 4.39 0.00 2.11 2.14 0.00 3.05 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 20 T 7.96 4.47 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 1.27 0.00 0.00 21 V 8.25 4.74 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 1.25 0.00 0.00 1.32 0.00 0.00 *23 L 8.39 4.29 0.00 1.46 1.47 0.14 0.64 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 24 G 8.58 4.43 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 0.00 0.00 0.00 25 L 8.71 4.64 0.00 1.78 1.60 0.90 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.68 4.36 0.00 2.73 2.63 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 0.00 0.00 0.00 0.00 27 G 8.16 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 0.00 0.00 0.00 28 V 7.47 4.50 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 1.01 0.00 0.00 29 E 8.19 3.81 0.00 1.90 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 2.28 2.34 0.00 30 D 7.67 4.60 0.00 2.58 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 31 G 8.52 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 H 7.92 4.02 0.00 3.28 3.38 0.00 5.86 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.16 4.92 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 34 R 8.20 4.70 0.00 1.76 1.85 0.00 3.12 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 35 P 0.00 4.95 0.00 2.12 2.10 0.00 3.39 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.84 0.00 *37 T 8.28 4.12 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 38 A 8.95 3.71 1.16 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 39 Q 8.86 4.75 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 40 I 8.28 5.09 1.93 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.75 0.98 0.00 0.00 41 E 8.94 4.15 0.00 2.00 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 2.24 2.33 0.00 42 G 8.51 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 43 D 8.42 4.63 0.00 2.62 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.06 3.88 0.00 3.30 3.62 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 45 G 5.38 3.40 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 46 G 8.05 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 0.00 0.00 0.00 47 P 0.00 4.55 0.00 0.79 1.47 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.08 0.00 48 I 8.39 4.22 1.89 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.95 0.54 0.00 0.00 49 W 8.92 5.13 0.00 3.17 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 50 F 9.11 5.26 0.00 2.97 2.95 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 51 F 9.19 4.78 0.00 3.08 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 52 T 9.50 4.70 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 1.37 0.00 0.00 53 S 8.48 5.37 0.00 4.10 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 54 K 9.04 4.03 0.00 2.08 1.96 0.00 1.88 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.01 7.81 55 D 7.99 4.80 0.00 2.83 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 56 N 8.21 4.42 0.00 2.89 2.75 0.00 0.00 7.08 7.65 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 57 A 8.89 3.97 1.24 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 0.00 0.00 0.00 58 L 7.74 4.07 0.00 1.65 1.71 0.84 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.45 3.81 2.02 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 1.26 0.48 0.93 0.00 0.00 60 A 7.68 4.22 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 *62 L 8.24 4.39 0.00 1.75 1.89 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.74 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 64 Q 8.84 4.02 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 65 G 6.85 3.88 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 0.00 0.00 0.00 66 R 8.45 4.76 0.00 1.74 1.77 0.00 3.12 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 67 R 8.47 4.57 0.00 1.89 1.78 0.00 3.12 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.66 0.00 68 V 9.06 4.94 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 0.89 0.00 0.00 0.94 0.00 0.00 69 I 8.39 4.86 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.40 0.94 0.00 0.00 70 G 9.23 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 0.00 0.00 0.00 71 A 8.71 4.91 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 72 F 9.73 5.12 0.00 3.24 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 73 S 7.37 4.57 0.00 3.02 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 74 S 8.08 4.15 0.00 3.94 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 75 K 9.38 3.78 0.00 1.90 1.85 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.36 7.81 76 G 7.94 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 77 H 7.87 3.72 0.00 3.34 3.55 0.00 5.67 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 78 D 7.81 4.69 0.00 2.73 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 79 L 7.73 5.16 0.00 1.75 1.48 1.05 1.23 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 80 F 9.82 5.39 0.00 3.11 2.94 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 81 A 9.87 5.43 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 82 S 9.54 5.21 0.00 4.27 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 83 I 8.85 4.67 1.92 0.00 0.00 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 0.92 0.63 0.88 0.00 0.00 84 S 8.39 5.01 0.00 3.71 3.27 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 85 G 7.78 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 86 S 8.21 5.30 0.00 3.89 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 87 L 8.86 5.37 0.00 1.74 1.45 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.65 4.88 0.00 1.89 1.96 0.00 2.81 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 89 E 8.63 4.68 0.00 2.03 1.92 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 2.31 2.35 0.00 90 D 8.92 4.73 0.00 2.73 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 91 T 7.85 4.21 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 1.22 0.00 0.00 92 D 7.82 4.62 0.00 2.91 2.48 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 93 P 0.00 4.14 0.00 2.24 2.26 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 94 A 8.18 3.92 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 95 V 7.48 3.23 1.68 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 -0.45 0.00 0.00 0.68 0.00 0.00 96 V 7.87 3.74 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 0.95 0.00 0.00 0.94 0.00 0.00 97 D 7.86 4.34 0.00 2.83 2.69 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 98 R 7.52 4.09 0.00 1.82 2.02 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 99 L 8.01 4.26 0.00 1.86 2.00 0.27 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 100 W 7.67 4.15 0.00 3.64 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 0.00 101 N 7.33 4.89 0.00 3.01 2.89 0.00 0.00 6.28 7.76 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 0.00 102 P 0.00 4.29 0.00 1.77 1.94 0.00 3.34 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 1.87 2.04 0.00 103 Y 7.52 4.01 0.00 3.05 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 0.00 104 V 8.37 3.73 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 -0.30 0.00 0.00 0.71 0.00 0.00 105 A 7.59 3.68 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 0.00 106 A 7.75 3.82 1.12 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 0.00 0.00 107 W 7.93 4.27 0.00 2.96 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 0.00 108 Y 7.90 4.80 0.00 3.26 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 0.00 109 E 9.21 4.07 0.00 1.99 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 2.23 1.88 0.00 110 G 8.48 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 0.00 111 G 7.95 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 0.00 0.00 0.00 112 K 8.07 3.46 0.00 1.30 1.42 0.00 1.17 0.00 0.00 1.28 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 113 D 7.74 4.40 0.00 2.62 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 0.00 114 D 7.55 4.39 0.00 2.71 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 0.00 115 P 0.00 4.39 0.00 2.12 2.13 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 116 K 8.49 4.51 0.00 1.69 1.76 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.24 7.81 117 L 7.91 5.52 0.00 1.53 1.60 0.16 1.12 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 0.00 118 A 9.55 4.87 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 0.00 119 L 8.88 5.03 0.00 1.57 1.49 0.13 0.02 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 0.00 120 L 9.18 5.18 0.00 1.83 1.64 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 121 R 9.06 4.50 0.00 0.79 0.80 0.00 2.46 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.29 0.00 122 L 8.92 4.72 0.00 1.95 1.93 1.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 123 D 9.06 4.88 0.00 2.55 2.58 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 0.00 124 A 8.47 4.36 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 0.00 125 D 9.13 4.69 0.00 2.67 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 0.00 126 H 7.62 4.94 0.00 3.10 3.29 0.00 5.47 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.06 4.86 0.61 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 0.00 0.00 128 Q 8.64 4.11 0.00 1.91 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 1.16 1.62 0.00 129 I 7.70 4.88 1.71 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.49 0.95 0.00 0.00 130 W 9.70 4.78 0.00 3.38 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 0.00 131 L 8.79 4.77 0.00 1.62 1.67 0.96 1.13 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 0.00 132 N 8.99 4.69 0.00 3.06 2.92 0.00 0.00 7.05 7.72 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 0.00 133 G 8.56 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 0.00 0.00 0.00 0.00 134 S 8.38 4.70 0.00 3.95 3.81 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 0.00 135 S 8.38 4.61 0.00 3.96 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 0.00 136 L 8.48 4.13 0.00 1.62 1.62 0.93 1.06 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 0.00 137 L 8.29 4.32 0.00 1.68 1.60 0.92 0.85 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 0.00 138 A 8.29 4.13 1.24 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 0.00 0.00 0.00 139 G 8.48 3.72 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 0.00 0.00 0.00 140 I 7.99 4.41 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.87 0.91 0.00 0.00 141 K 8.62 4.26 0.00 1.75 1.75 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.42 7.81 142 V 7.99 4.55 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 0.77 0.00 0.00 0.93 0.00 0.00 143 L 8.30 4.50 0.00 1.65 1.63 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 144 L 8.52 4.80 0.00 1.60 1.55 0.92 0.87 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 0.00 145 G 8.41 3.76 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.