NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5022 8.2116 122.9829 52.2799 20.2428 176.5154 2 T 4.2419 7.5430 116.7909 61.7068 69.4822 172.3136 3 K 5.3361 8.9071 126.6133 54.8834 37.4502 174.4211 4 A 5.3038 9.3598 123.9462 50.7178 23.4399 174.9943 5 V 5.0152 8.7375 117.4211 60.9678 35.7059 173.7641 6 C 4.8171 9.0319 121.0629 58.2801 35.4222 172.6268 7 V 4.6192 8.4703 126.4083 61.3809 32.7915 174.4074 8 L 4.6035 8.9242 129.6849 54.5104 42.9922 176.4604 9 K 4.9373 9.4010 121.8881 55.4563 35.7591 175.2229 10 G 4.6361 8.3726 108.7229 45.3414 0.0000 173.2973 11 D 4.7157 9.0269 119.7015 57.3285 40.9570 178.2483 12 G 3.9309 7.3243 106.7576 44.4570 0.0000 171.7691 13 P 4.2523 0.0000 0.0000 63.8433 31.7397 176.4553 14 V 4.0181 7.0417 120.0463 63.2524 31.8895 175.1532 15 Q 4.7044 8.3402 123.4260 55.7332 32.3333 173.0773 16 G 4.2900 7.8023 107.1476 46.4609 0.0000 171.7626 17 I 5.2059 7.7598 119.8734 59.4403 40.9344 175.2341 18 I 4.5425 8.9291 126.9888 59.4245 41.0497 174.1921 19 N 5.0928 8.1360 122.7684 51.1748 41.9927 173.4912 20 F 5.2365 8.9796 120.5936 55.6858 42.9475 173.7914 21 E 5.1148 9.2845 123.3603 54.9790 33.4658 173.9133 22 Q 4.6322 9.0876 127.3373 54.0917 29.3608 174.2892 23 K 4.1405 8.8447 125.4890 58.2261 32.6423 177.1228 24 E 4.7620 7.7461 115.6632 53.8354 32.6291 175.8705 25 S 4.0526 8.4680 117.4928 60.3533 63.3442 175.9242 26 N 4.3553 9.0855 121.7562 54.3046 38.8460 174.2909 27 G 3.9132 7.6757 106.3147 44.4805 0.0000 170.9070 28 P 4.6633 0.0000 0.0000 62.6242 32.8604 175.8954 29 V 4.5722 8.8544 121.7248 61.3386 33.6045 174.6918 30 K 4.7693 9.3763 128.7634 55.8694 33.6075 175.9849 31 V 4.7335 8.9887 125.5856 60.6798 34.1991 174.2479 32 W 5.4331 7.8921 123.9300 55.6307 31.9520 174.5630 33 G 4.0447 8.2158 107.0290 46.8984 0.0000 171.5886 34 S 5.2144 8.1327 113.0833 56.6246 66.5365 174.0574 35 I 4.9444 9.2028 126.0585 59.3574 41.0777 174.5872 36 K 4.8735 9.1643 124.8437 55.5384 36.1028 176.9846 37 G 3.9150 8.9703 107.0800 46.5204 0.0000 173.2209 38 L 4.4855 7.5442 119.7716 52.8033 43.0270 176.5720 39 T 4.2295 8.3662 112.3362 61.6478 69.0981 173.4348 40 E 4.1641 8.4715 124.2930 56.1652 30.9388 176.4659 41 G 3.6809 7.7004 112.5557 44.6268 0.0000 171.4694 42 L 5.2163 8.0916 121.4233 53.4912 43.8501 176.0259 43 H 5.1550 9.1635 119.8866 53.4869 32.9499 173.3242 44 G 4.0476 9.0118 110.1860 47.0562 0.0000 172.3522 45 F 5.6309 9.1502 125.7334 56.5333 41.3722 172.6508 46 H 5.3091 9.2600 121.6968 53.5138 33.3221 172.8704 47 V 4.5309 8.4671 122.1216 62.2761 32.6268 175.2582 48 H 5.0563 9.0629 126.1107 54.6958 30.3395 176.3310 49 E 3.8360 8.7530 121.4472 58.6394 30.0864 177.0289 50 F 5.0141 8.0679 117.7453 55.0269 42.0741 176.5163 51 G 4.2165 8.5901 109.9644 44.8412 0.0000 172.7714 52 D 4.6329 7.8832 120.2893 53.1055 41.6511 175.4329 53 N 5.2558 8.5115 124.9109 53.4912 39.8829 175.9908 54 T 3.9818 8.3167 109.1940 63.0817 69.0375 174.6621 55 A 4.6501 8.0188 125.4453 51.5662 20.0520 177.8321 56 G 3.8676 7.7506 109.6141 47.1574 0.0000 175.0094 57 C 4.3519 8.6248 114.9344 59.9233 39.2334 175.9312 58 T 3.8197 8.1790 116.9334 66.8085 68.0078 175.7112 59 S 4.5522 7.6822 111.7642 58.8357 63.0055 174.8229 60 A 4.2897 8.0098 125.1674 53.5034 18.8769 178.9541 61 G 4.2036 7.6037 102.8079 44.0520 0.0000 170.7228 62 P 4.7633 0.0000 0.0000 61.2935 34.1525 174.7537 63 H 4.1739 8.4506 116.3197 56.4052 29.4055 175.3016 64 F 4.3301 9.4052 125.2928 58.3846 39.8727 174.2189 65 N 4.6592 8.2225 125.0188 50.9846 39.3722 172.3000 66 P 4.0141 0.0000 0.0000 64.5072 31.8787 176.7190 *79 R 4.0358 7.6082 112.5747 55.7466 30.6511 174.7901 80 H 4.7106 8.6222 115.5206 54.7618 29.3047 177.2109 81 V 3.4794 8.4362 122.3226 65.3862 31.4364 176.9441 82 G 3.9417 7.8103 106.4753 45.1404 0.0000 172.9509 83 D 4.7966 7.9186 120.4395 54.1415 39.5783 175.5304 84 L 4.5998 8.3036 123.1936 54.1843 43.1716 178.2079 85 G 4.0513 7.8352 113.0927 46.5310 0.0000 176.2694 86 N 5.7355 8.7827 118.7902 51.4448 42.6334 172.3205 87 V 4.4670 8.8490 113.1137 59.8635 36.2368 175.0372 88 T 5.0249 8.2507 118.3893 61.8446 71.3567 172.9618 89 A 4.9124 9.1621 130.2980 50.8256 20.4159 177.4667 90 D 4.9976 8.7148 123.7139 52.4366 40.7747 177.0121 91 K 4.2148 8.5766 117.2548 59.3529 32.8422 176.9848 92 D 4.7330 9.2931 120.7074 53.9911 41.4754 176.9418 93 A 4.2679 8.0224 118.7995 52.3709 16.9596 177.4508 94 V 4.6937 7.4953 117.7352 62.1854 33.5651 174.5570 95 A 5.3621 9.0439 131.2774 50.3429 20.2863 175.1662 96 D 4.9184 8.6393 123.2740 52.7279 42.6221 175.5564 97 V 4.0294 8.7414 127.7740 61.9402 33.1646 174.9393 98 S 4.9973 8.5807 122.2362 57.2713 64.4373 172.4966 99 I 4.7541 9.5344 128.6107 59.6992 41.6521 175.1436 100 E 4.8873 8.6769 124.5390 55.7888 30.9949 173.3056 101 D 5.0852 8.9471 126.6155 52.6061 43.9448 176.6457 102 S 4.7118 8.6859 117.0628 58.3214 64.5184 175.2535 103 V 3.9122 8.1396 120.8171 64.9795 31.7647 176.2757 104 I 4.1554 8.3319 111.9242 61.0306 38.4398 174.7351 105 S 4.6405 8.1146 112.9164 57.4430 64.8308 174.5324 106 L 4.4065 8.5634 125.7110 55.4409 41.9843 176.7985 107 S 4.5853 7.6729 111.7935 57.9225 66.5810 175.5831 108 G 3.8895 8.6168 107.5056 45.1537 0.0000 174.4388 109 D 4.3736 8.8584 118.7041 57.4566 41.1237 177.6818 110 H 5.1874 7.6718 114.4778 54.9281 29.2996 174.5698 111 C 4.9561 8.1844 118.8431 59.3917 32.0415 172.9402 112 I 4.0721 7.9903 117.4031 60.1551 38.2936 175.4125 113 I 3.6720 7.3279 122.4203 62.9311 37.4265 176.2523 114 G 3.8089 9.3301 112.3785 45.5233 0.0000 172.6595 115 R 4.8228 7.3552 118.1518 54.4339 34.1873 174.3517 116 T 4.9342 7.8738 114.8750 61.9830 71.1562 173.7264 117 L 4.8094 8.7300 128.3234 53.6470 44.1859 175.2259 118 V 5.0894 9.0028 126.1335 61.0156 35.0578 174.1439 119 V 5.0261 8.4943 127.0821 60.6086 33.5052 175.1896 120 H 5.1899 9.2826 122.5503 54.3748 30.3703 175.1736 121 E 4.1579 9.2824 121.4272 59.1371 30.1261 176.0999 122 K 4.8951 8.1399 117.5806 54.3003 36.1123 175.6673 123 A 4.6768 8.5122 123.3421 52.0282 19.5198 176.2736 124 D 4.6397 8.7268 119.3569 52.6325 42.1856 176.1120 *140 A 4.3791 8.5234 129.5913 50.4994 20.5410 176.8229 141 G 4.0210 8.1801 101.8418 43.9407 0.0000 172.6118 142 S 4.2534 7.9668 112.1646 59.1754 63.9921 174.1519 143 R 4.4938 8.4122 120.7088 55.4636 30.0450 176.4512 144 L 4.2952 9.0202 125.5127 57.5021 43.0947 176.9529 145 A 4.8559 7.7878 117.2108 51.7211 22.6884 174.2003 146 C 5.7301 7.8973 113.8863 55.6179 45.8433 172.7371 147 G 4.5189 7.9809 101.6963 45.9580 0.0000 173.1326 148 V 4.2402 8.5071 123.5652 62.3963 32.7824 175.6426 149 I 3.9872 9.5448 130.1642 61.3178 37.7895 175.6521 150 G 4.3014 8.8629 114.9645 44.2765 0.0000 171.4767 151 I 4.4864 8.1353 120.6479 60.5519 37.8471 176.2586 152 A 4.5471 8.3608 129.3120 50.2436 21.1718 176.9120 153 Q 4.0746 8.4089 118.7015 56.5472 29.2284 175.5209 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 A 8.21 4.50 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 2 T 7.54 4.24 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 3 K 8.91 5.34 0.00 1.74 1.82 0.00 1.74 0.00 0.00 1.94 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.48 7.81 4 A 9.36 5.30 1.10 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 0.00 0.00 5 V 8.74 5.02 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 0.65 0.00 0.00 0.97 0.00 0.00 6 C 9.03 4.82 0.00 3.11 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 7 V 8.47 4.62 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 0.95 0.00 0.00 0.93 0.00 0.00 8 L 8.92 4.60 0.00 1.65 1.60 1.05 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.40 4.94 0.00 1.61 1.63 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.40 7.81 10 G 8.37 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 9.03 4.72 0.00 2.66 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 12 G 7.32 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 13 P 0.00 4.25 0.00 2.19 2.09 0.00 3.60 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 2.11 2.06 0.00 14 V 7.04 4.02 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 0.73 0.00 0.00 0.92 0.00 0.00 15 Q 8.34 4.70 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.52 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 16 G 7.80 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 0.00 0.00 0.00 0.00 17 I 7.76 5.21 1.85 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 1.22 1.37 0.87 0.00 0.00 18 I 8.93 4.54 1.91 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 1.26 1.37 0.56 0.00 0.00 19 N 8.14 5.09 0.00 1.44 1.42 0.00 0.00 6.65 8.03 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 20 F 8.98 5.24 0.00 2.94 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 21 E 9.28 5.11 0.00 2.46 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 22 Q 9.09 4.63 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.72 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 23 K 8.84 4.14 0.00 1.89 1.88 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.58 1.52 7.81 24 E 7.75 4.76 0.00 1.93 1.83 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 2.21 2.24 0.00 25 S 8.47 4.05 0.00 3.89 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 26 N 9.09 4.36 0.00 2.84 2.98 0.00 0.00 7.06 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 27 G 7.68 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 28 P 0.00 4.66 0.00 2.12 2.10 0.00 3.52 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 2.01 2.10 0.00 29 V 8.85 4.57 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 1.26 0.00 0.00 1.07 0.00 0.00 30 K 9.38 4.77 0.00 1.99 1.92 0.00 1.65 0.00 0.00 1.52 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.47 7.81 31 V 8.99 4.73 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 0.69 0.00 0.00 1.00 0.00 0.00 32 W 7.89 5.43 0.00 3.49 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 33 G 8.22 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 0.00 0.00 0.00 34 S 8.13 5.21 0.00 3.87 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 9.20 4.94 1.80 0.00 0.00 0.75 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 0.42 0.88 0.00 0.00 36 K 9.16 4.87 0.00 1.78 1.87 0.00 1.30 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.29 1.34 7.81 37 G 8.97 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 38 L 7.54 4.49 0.00 1.72 1.50 0.85 0.08 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 39 T 8.37 4.23 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 1.28 0.00 0.00 40 E 8.47 4.16 0.00 2.03 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 2.33 2.50 0.00 41 G 7.70 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 42 L 8.09 5.22 0.00 1.47 1.56 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.16 5.15 0.00 3.03 3.36 0.00 5.63 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 44 G 9.01 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 45 F 9.15 5.63 0.00 3.00 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 46 H 9.26 5.31 0.00 3.22 3.04 0.00 5.85 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.47 4.53 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 0.87 0.00 0.00 0.85 0.00 0.00 48 H 9.06 5.06 0.00 3.08 3.39 0.00 5.67 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.75 3.84 0.00 1.64 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 1.47 2.00 0.00 50 F 8.07 5.01 0.00 3.02 2.82 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 0.00 0.00 0.00 51 G 8.59 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 52 D 7.88 4.63 0.00 2.69 2.89 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 53 N 8.51 5.26 0.00 2.78 2.66 0.00 0.00 6.94 7.22 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 54 T 8.32 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 1.26 0.00 0.00 55 A 8.02 4.65 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 56 G 7.75 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 57 C 8.62 4.35 0.00 2.98 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 58 T 8.18 3.82 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 1.22 0.00 0.00 59 S 7.68 4.55 0.00 3.94 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 60 A 8.01 4.29 1.38 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 61 G 7.60 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 0.00 0.00 0.00 0.00 62 P 0.00 4.76 0.00 2.12 2.16 0.00 3.26 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.12 0.00 63 H 8.45 4.17 0.00 2.83 3.19 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.41 4.33 0.00 2.95 3.01 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 65 N 8.22 4.66 0.00 2.54 2.40 0.00 0.00 7.14 7.71 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 66 P 0.00 4.01 0.00 1.89 2.03 0.00 3.02 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.49 0.00 *79 R 7.61 4.04 0.00 1.89 1.94 0.00 3.02 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 80 H 8.62 4.71 0.00 3.43 3.30 0.00 5.66 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 81 V 8.44 3.48 1.70 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 0.66 0.00 0.00 0.53 0.00 0.00 82 G 7.81 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 83 D 7.92 4.80 0.00 2.70 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 84 L 8.30 4.60 0.00 1.88 1.84 0.79 0.77 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 85 G 7.84 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 86 N 8.78 5.74 0.00 2.57 2.68 0.00 0.00 6.55 7.68 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 87 V 8.85 4.47 1.83 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 -0.05 0.00 0.00 0.86 0.00 0.00 88 T 8.25 5.02 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 1.20 0.00 0.00 89 A 9.16 4.91 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 90 D 8.71 5.00 0.00 2.90 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.58 4.21 0.00 1.88 1.99 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.46 7.81 92 D 9.29 4.73 0.00 2.79 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 93 A 8.02 4.27 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.50 4.69 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 1.05 0.00 0.00 1.00 0.00 0.00 95 A 9.04 5.36 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 96 D 8.64 4.92 0.00 2.67 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 97 V 8.74 4.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.64 0.00 0.00 98 S 8.58 5.00 0.00 3.88 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 99 I 9.53 4.75 1.97 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.73 1.01 0.00 0.00 100 E 8.68 4.89 0.00 1.97 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 2.24 2.37 0.00 101 D 8.95 5.09 0.00 2.95 2.57 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 0.00 0.00 0.00 0.00 102 S 8.69 4.71 0.00 3.88 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.14 3.91 2.27 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 0.80 0.00 0.00 0.95 0.00 0.00 104 I 8.33 4.16 1.95 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.82 1.07 0.00 0.00 105 S 8.11 4.64 0.00 3.88 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.56 4.41 0.00 1.92 1.69 1.01 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.67 4.59 0.00 3.92 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 0.00 108 G 8.62 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 0.00 0.00 0.00 109 D 8.86 4.37 0.00 2.51 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 0.00 110 H 7.67 5.19 0.00 3.24 3.34 0.00 5.73 0.00 0.00 0.00 0.00 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.18 4.96 0.00 3.18 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 0.00 112 I 7.99 4.07 1.61 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.46 0.98 0.00 0.00 113 I 7.33 3.67 1.78 0.00 0.00 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 1.23 0.73 0.89 0.00 0.00 114 G 9.33 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 0.00 0.00 0.00 115 R 7.36 4.82 0.00 1.50 1.70 0.00 2.21 0.00 0.00 2.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.46 0.00 116 T 7.87 4.93 4.23 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 0.00 0.00 0.00 1.29 0.00 0.00 117 L 8.73 4.81 0.00 1.74 1.55 0.40 1.17 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 0.00 118 V 9.00 5.09 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 0.85 0.00 0.00 0.85 0.00 0.00 119 V 8.49 5.03 2.29 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 0.76 0.00 0.00 0.97 0.00 0.00 120 H 9.28 5.19 0.00 3.13 3.53 0.00 5.66 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 0.00 121 E 9.28 4.16 0.00 2.10 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 2.38 2.34 0.00 122 K 8.14 4.90 0.00 1.89 1.71 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.38 7.81 123 A 8.51 4.68 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 0.00 124 D 8.73 4.64 0.00 2.70 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 *140 A 8.52 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 141 G 8.18 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 0.00 142 S 7.97 4.25 0.00 3.93 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 0.00 143 R 8.41 4.49 0.00 1.68 1.82 0.00 3.24 0.00 0.00 3.11 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 144 L 9.02 4.30 0.00 1.68 1.70 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.79 4.86 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 0.00 146 C 7.90 5.73 0.00 3.02 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 0.00 147 G 7.98 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 8.51 4.24 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 0.94 0.00 0.00 149 I 9.54 3.99 1.77 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.38 0.41 0.00 0.00 150 G 8.86 4.30 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 0.00 151 I 8.14 4.49 1.85 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 1.25 0.55 0.90 0.00 0.00 152 A 8.36 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 8.41 4.07 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.