NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4996 0.0000 0.0000 62.0102 34.0118 174.8066 3 S 4.8507 8.0752 114.1120 56.6341 64.7261 171.2688 4 I 4.5818 9.6402 128.7973 59.2202 41.9240 173.5456 5 K 5.0400 8.3878 123.8940 54.7835 34.3292 175.3412 6 L 5.1199 9.1765 125.9866 53.2697 44.3785 175.4649 7 Q 5.2459 8.9311 123.9082 54.2718 32.0141 175.1176 8 S 4.7839 9.1524 121.6244 57.7053 64.5414 175.4021 9 S 4.0770 9.1111 116.2875 61.4789 62.6282 175.6099 10 D 4.7068 8.0719 117.6728 53.1882 39.3914 175.9848 11 G 4.1137 8.3070 109.5374 45.9313 0.0000 174.7230 12 E 4.0717 7.7991 117.5422 56.5722 30.0583 175.6323 13 I 5.2277 7.8990 122.1260 59.6796 40.0560 174.9806 14 F 4.8966 9.8003 123.9444 55.7251 43.1999 173.7637 15 E 5.1785 8.9810 121.3092 55.0158 30.9746 175.7243 16 V 4.6331 8.3037 117.3727 58.9344 35.8880 175.1787 17 D 4.8607 8.5604 121.6981 54.2005 42.0262 177.7438 18 V 3.6394 8.9527 119.3407 64.6526 31.2205 178.9830 19 E 4.0133 8.5827 118.0191 59.1612 29.6480 179.0607 20 I 3.8285 7.8281 119.1482 64.4509 37.2153 177.9808 21 A 4.0830 8.2672 121.8429 55.2169 17.9056 179.0105 22 K 4.3487 7.6204 113.4151 57.3045 32.5269 178.6046 23 Q 4.4399 8.3033 119.5486 56.4167 28.8314 175.2922 24 S 4.5890 7.5994 116.2938 56.4699 62.2366 174.2637 25 V 3.5435 8.1705 127.9288 66.8650 31.1284 177.2866 26 T 3.7186 7.5225 114.0759 67.2038 68.2443 176.0256 27 I 3.6231 7.5277 120.8605 64.4282 37.1929 178.1436 28 K 3.8037 8.5839 120.4956 60.1529 31.9744 178.7384 29 T 4.0393 8.4334 114.4144 64.6255 67.3392 176.0981 30 M 4.1139 8.1387 121.1417 58.0020 31.7301 178.5701 31 L 4.0687 7.8435 118.3724 57.9862 41.9676 179.1865 32 E 4.1557 8.3425 117.5804 58.7953 29.3967 178.2236 33 D 5.0816 7.7880 116.3473 52.3101 39.8491 176.1363 34 L 4.2038 7.4504 120.0082 53.8044 44.2653 176.7325 35 G 3.9636 8.4619 118.3034 45.7510 0.0000 172.2253 36 M 4.2540 7.5927 117.3860 55.1613 33.4069 176.0830 37 D 4.4540 8.5925 124.0846 55.9582 42.4168 173.7543 *44 P 5.1800 0.0000 0.0000 62.5266 32.8592 175.9078 45 V 4.2699 8.8717 125.1682 60.4709 32.8860 172.5120 46 P 4.8724 0.0000 0.0000 62.4075 32.2751 176.6870 47 L 4.9076 9.2302 125.3007 51.8732 42.1010 175.3024 48 P 4.2269 0.0000 0.0000 64.7192 31.3721 177.3282 49 N 4.5712 7.3186 115.2047 53.9576 40.4678 175.4607 50 V 3.7795 7.5699 118.7220 62.2897 32.3073 175.3593 51 N 5.3553 8.6944 126.3121 50.8507 40.4127 175.7362 52 A 4.0421 9.5091 121.8825 55.2115 18.4122 179.7782 53 A 3.9844 7.9689 118.8515 55.5085 18.5122 179.8407 54 I 3.7776 8.0539 118.4255 64.2361 37.0524 178.3383 55 L 3.8460 8.1330 121.5393 57.9153 41.7667 179.0956 56 K 3.8190 7.6083 118.2262 59.4040 31.9833 179.3187 57 K 4.1827 7.6501 117.5138 59.5925 31.9993 179.2115 58 V 3.7421 8.1210 118.7848 66.4623 31.2916 178.0333 59 I 3.7557 8.4956 120.1437 64.5032 36.8993 178.4729 60 Q 4.1123 8.4707 118.5689 58.8975 28.1952 178.3223 61 W 3.8365 8.4764 129.8736 60.5108 31.0728 177.4424 62 C 4.5940 8.6744 116.8107 63.0860 27.6722 176.2029 63 T 3.7591 8.2871 117.7435 66.9947 67.9252 176.1223 64 H 3.7815 8.0985 118.3020 58.0059 29.4002 175.2543 65 H 4.5253 7.2089 117.5540 55.1277 29.2595 176.0382 66 K 3.9877 7.6568 121.6534 59.5605 32.4102 177.3229 67 D 4.8423 7.7877 117.4691 53.7574 41.7317 176.2809 68 D 4.8587 7.2835 120.7891 53.8447 40.2435 175.4036 *80 K 4.3296 8.4121 120.7469 54.6451 32.6398 173.6898 *81 R 4.4274 8.8750 119.9225 60.9328 35.5913 173.9160 *82 T 3.6479 7.8117 107.5322 60.7580 67.9364 174.1279 83 D 4.6794 7.9569 118.0368 56.5700 41.5202 175.7096 84 D 4.8700 7.8112 117.1528 53.4454 40.0295 175.3485 85 I 4.1654 7.9612 121.4310 60.5644 37.2725 174.7094 86 P 4.2842 0.0000 0.0000 63.1222 32.6428 177.0995 87 V 3.5963 8.7701 121.4414 66.2031 31.2107 178.0575 88 W 3.9612 8.2384 127.1604 60.7363 30.7572 177.4051 89 D 4.7580 8.6799 118.3238 57.6902 40.0276 179.0048 90 Q 4.0162 8.2217 117.9653 59.2190 29.1552 178.4770 91 E 4.0255 8.1965 119.3914 59.0102 29.1550 179.1791 92 F 3.8539 7.9639 120.7644 60.8404 39.4778 176.2986 93 L 4.2195 7.5892 115.3540 54.2061 42.8865 178.5501 94 K 4.2866 7.2769 120.3301 55.8045 29.6309 175.7761 95 V 4.4560 7.0755 114.6434 58.3892 36.4932 175.2302 96 D 4.6115 8.2740 120.2429 52.8314 41.4255 176.9821 97 Q 4.0210 8.6564 120.2753 59.6309 28.7464 179.7491 98 G 4.2686 8.2165 105.4357 48.8106 0.0000 175.3109 99 T 3.8982 7.9158 117.7055 65.7366 68.5383 176.4241 100 L 3.9004 8.2546 122.5870 58.1905 42.2654 178.5660 101 F 4.1451 9.1648 121.6557 61.7634 39.1953 177.0826 102 E 3.9364 8.4044 117.7378 59.0298 29.1634 179.4842 103 L 3.9308 7.8900 119.3320 57.7193 41.7345 179.2642 104 I 3.5852 7.6005 119.7136 64.3774 36.9973 178.4398 105 L 3.7822 7.4597 118.9115 57.7453 41.4091 179.4495 106 A 4.0058 8.1899 120.6956 55.1934 18.3197 179.5567 107 A 3.8143 8.5211 119.5749 55.0039 18.1183 179.5283 108 N 4.1707 7.7580 114.9932 56.9802 39.1975 176.2517 109 Y 4.2921 7.8831 119.6159 60.8239 39.2612 177.7787 110 L 3.6244 8.1648 119.4046 54.8323 42.7753 175.9042 111 D 4.5415 7.8492 117.7360 55.4351 39.4893 174.5855 112 I 4.5321 6.7069 120.8759 58.1034 37.1935 176.7343 113 K 3.9078 8.2973 125.1024 59.5179 32.1172 177.3000 114 G 4.1136 8.2074 104.9985 48.1224 0.0000 174.9361 115 L 2.8895 6.9240 122.5157 57.0863 41.8894 178.5905 116 L 3.8168 7.8110 120.4693 57.9644 41.8252 178.1976 117 D 4.2727 8.7192 119.1145 57.7375 41.3470 178.8336 118 V 3.7612 8.2727 113.3391 64.5299 31.7108 178.8197 119 T 3.9643 8.0834 109.7482 64.8852 68.5354 176.5545 120 C 4.1408 8.1081 119.5798 62.6461 28.1228 176.2655 121 K 4.0579 7.9038 119.9687 59.7265 31.3334 179.5987 122 T 3.9311 7.5886 115.1041 66.3720 68.6194 176.6730 123 V 3.8954 7.7961 119.8310 65.6082 31.5803 177.6039 124 A 3.9968 8.3266 121.1164 55.7296 16.7888 179.4666 125 N 4.3397 8.4709 114.5957 56.7375 38.3322 177.5389 126 M 4.3659 8.0241 119.1954 57.7676 32.2824 178.5143 127 I 4.0827 7.2208 118.1668 62.8975 37.6672 176.4570 128 K 4.0086 7.4385 117.7475 58.4233 32.4265 175.6800 129 G 4.1927 9.0525 111.3784 45.5923 0.0000 173.9748 130 K 4.4633 7.6295 118.0008 55.9901 33.0215 176.6600 131 T 4.5036 8.6381 111.6846 59.8768 71.7739 173.9917 132 P 4.2525 0.0000 0.0000 65.6192 31.1940 178.5035 133 E 3.9765 8.1473 117.4834 59.4182 29.6332 178.2808 134 E 3.9709 8.1260 118.5365 59.6910 29.5065 179.3888 135 I 3.8745 8.1156 119.7204 64.7731 37.2845 178.4010 136 R 3.9982 8.8219 119.1642 59.4935 29.7818 179.3647 137 K 3.9892 8.2739 118.2237 59.8089 31.9631 179.6810 138 T 3.7707 8.2004 108.9229 63.9419 68.6354 175.4561 139 F 4.5088 8.1880 117.8522 55.5682 40.0371 174.9896 140 N 4.1275 7.5749 116.3214 54.4953 37.7069 174.0801 141 I 4.3307 7.6691 117.1045 59.5415 38.9155 176.4321 142 K 4.0924 8.3731 126.3061 56.1140 32.8321 176.7371 143 N 4.6571 8.5146 124.3219 52.1067 37.5335 174.5318 144 D 4.2028 8.3446 124.2660 57.2271 41.0859 178.1390 145 F 4.7869 7.7910 114.7573 57.5765 38.8006 175.8270 146 T 4.1458 8.1919 124.2942 64.3378 69.7691 173.3052 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 P 0.00 4.50 0.00 1.78 2.11 0.00 3.63 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 1.92 1.60 0.00 3 S 8.08 4.85 0.00 3.92 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 4 I 9.64 4.58 1.89 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 1.24 1.58 0.94 0.00 0.00 5 K 8.39 5.04 0.00 1.81 1.73 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.41 7.81 6 L 9.18 5.12 0.00 1.66 1.63 0.94 0.62 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 7 Q 8.93 5.25 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 8 S 9.15 4.78 0.00 4.03 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 9 S 9.11 4.08 0.00 4.00 4.40 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 10 D 8.07 4.71 0.00 2.84 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 11 G 8.31 4.11 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 0.00 12 E 7.80 4.07 0.00 2.33 1.73 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 2.31 2.34 0.00 13 I 7.90 5.23 1.82 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 1.39 0.60 0.98 0.00 0.00 14 F 9.80 4.90 0.00 2.91 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 15 E 8.98 5.18 0.00 1.87 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 2.25 2.33 0.00 16 V 8.30 4.63 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 0.80 0.00 0.00 0.97 0.00 0.00 17 D 8.56 4.86 0.00 2.68 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 18 V 8.95 3.64 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 0.82 0.00 0.00 0.98 0.00 0.00 19 E 8.58 4.01 0.00 2.10 1.99 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 2.34 2.48 0.00 20 I 7.83 3.83 1.99 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 1.55 0.87 0.90 0.00 0.00 21 A 8.27 4.08 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 22 K 7.62 4.35 0.00 1.81 1.85 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.71 7.81 23 Q 8.30 4.44 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 24 S 7.60 4.59 0.00 3.76 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 25 V 8.17 3.54 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 0.94 0.00 0.00 1.00 0.00 0.00 26 T 7.52 3.72 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 27 I 7.53 3.62 2.07 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.50 0.97 0.00 0.00 28 K 8.58 3.80 0.00 1.90 2.03 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.58 7.81 29 T 8.43 4.04 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 1.25 0.00 0.00 30 M 8.14 4.11 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.57 0.00 31 L 7.84 4.07 0.00 1.79 1.73 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.34 4.16 0.00 2.03 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 0.00 2.34 2.31 0.00 33 D 7.79 5.08 0.00 2.84 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 34 L 7.45 4.20 0.00 1.85 1.62 0.93 0.84 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 35 G 8.46 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 36 M 7.59 4.25 0.00 2.04 2.04 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 2.78 2.60 0.00 37 D 8.59 4.45 0.00 2.81 2.66 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 *44 P 0.00 5.18 0.00 2.03 2.05 0.00 3.75 0.00 0.00 4.30 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 45 V 8.87 4.27 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 1.09 0.00 0.00 1.12 0.00 0.00 46 P 0.00 4.87 0.00 2.02 2.00 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 47 L 9.23 4.91 0.00 1.61 1.82 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.23 0.00 2.04 2.18 0.00 3.94 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.02 0.00 49 N 7.32 4.57 0.00 2.07 2.60 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 50 V 7.57 3.78 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 1.11 0.00 0.00 1.08 0.00 0.00 51 N 8.69 5.36 0.00 3.10 2.96 0.00 0.00 6.62 7.25 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 52 A 9.51 4.04 1.67 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 0.00 0.00 53 A 7.97 3.98 1.35 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 0.00 0.00 54 I 8.05 3.78 1.92 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 1.62 0.97 0.91 0.00 0.00 55 L 8.13 3.85 0.00 1.70 1.07 0.79 0.76 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 56 K 7.61 3.82 0.00 2.00 1.91 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.64 1.72 7.81 57 K 7.65 4.18 0.00 2.15 2.11 0.00 1.79 0.00 0.00 1.55 0.00 0.00 2.64 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.64 1.57 7.81 58 V 8.12 3.74 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 1.13 0.00 0.00 1.00 0.00 0.00 59 I 8.50 3.76 1.99 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.61 0.96 0.00 0.00 60 Q 8.47 4.11 0.00 2.48 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.84 2.72 0.00 61 W 8.48 3.84 0.00 2.94 3.38 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 62 C 8.67 4.59 0.00 3.24 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 63 T 8.29 3.76 4.40 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 1.15 0.00 0.00 64 H 8.10 3.78 0.00 2.27 2.36 0.00 5.89 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 7.21 4.53 0.00 2.61 3.06 0.00 5.87 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.66 3.99 0.00 1.83 1.86 0.00 1.53 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.30 7.81 67 D 7.79 4.84 0.00 2.53 2.60 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 68 D 7.28 4.86 0.00 2.74 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 0.00 0.00 0.00 0.00 *80 K 8.41 4.33 0.00 1.82 1.50 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 *81 R 8.88 4.43 0.00 1.76 1.77 0.00 3.21 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.08 0.00 *82 T 7.81 3.65 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 1.21 0.00 0.00 83 D 7.96 4.68 0.00 2.63 2.73 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 84 D 7.81 4.87 0.00 2.80 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 85 I 7.96 4.17 2.12 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.64 1.03 0.00 0.00 86 P 0.00 4.28 0.00 2.53 2.10 0.00 3.89 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 87 V 8.77 3.60 2.17 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 1.08 0.00 0.00 0.98 0.00 0.00 88 W 8.24 3.96 0.00 3.44 3.17 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 89 D 8.68 4.76 0.00 3.14 3.05 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 90 Q 8.22 4.02 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.01 0.00 0.00 0.00 0.00 0.00 2.45 2.72 0.00 91 E 8.20 4.03 0.00 1.95 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 2.27 2.27 0.00 92 F 7.96 3.85 0.00 1.82 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 93 L 7.59 4.22 0.00 1.71 1.67 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.28 4.29 0.00 1.89 1.70 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.50 7.81 95 V 7.08 4.46 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 0.53 0.00 0.00 0.88 0.00 0.00 96 D 8.27 4.61 0.00 2.86 2.75 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 97 Q 8.66 4.02 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 98 G 8.22 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 0.00 0.00 0.00 0.00 99 T 7.92 3.90 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 1.13 0.00 0.00 100 L 8.25 3.90 0.00 1.72 1.87 0.92 0.84 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 0.00 101 F 9.16 4.15 0.00 3.06 3.32 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 0.00 102 E 8.40 3.94 0.00 2.20 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 2.68 2.55 0.00 103 L 7.89 3.93 0.00 1.81 1.66 0.73 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.60 3.59 1.75 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.52 0.77 0.00 0.00 105 L 7.46 3.78 0.00 1.62 1.55 0.32 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.19 4.01 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 0.00 107 A 8.52 3.81 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 0.00 108 N 7.76 4.17 0.00 2.78 2.97 0.00 0.00 7.17 7.67 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 0.00 109 Y 7.88 4.29 0.00 2.92 2.97 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 0.00 110 L 8.16 3.62 0.00 1.70 1.58 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.85 4.54 0.00 2.75 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 6.71 4.53 1.65 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.85 0.89 0.00 0.00 113 K 8.30 3.91 0.00 1.80 1.83 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.55 7.81 114 G 8.21 4.11 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 0.00 115 L 6.92 2.89 0.00 0.27 0.99 0.05 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.81 3.82 0.00 1.77 1.78 0.85 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.72 4.27 0.00 3.00 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 0.00 118 V 8.27 3.76 2.26 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 1.17 0.00 0.00 1.20 0.00 0.00 119 T 8.08 3.96 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 1.22 0.00 0.00 120 C 8.11 4.14 0.00 3.23 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 0.00 121 K 7.90 4.06 0.00 1.79 1.90 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.73 7.81 122 T 7.59 3.93 4.47 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 1.25 0.00 0.00 123 V 7.80 3.90 2.22 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 0.99 0.00 0.00 1.05 0.00 0.00 124 A 8.33 4.00 1.39 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 0.00 125 N 8.47 4.34 0.00 2.82 2.92 0.00 0.00 7.13 8.23 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 0.00 126 M 8.02 4.37 0.00 2.19 2.66 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 2.98 2.63 0.00 127 I 7.22 4.08 2.05 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.73 0.90 0.00 0.00 128 K 7.44 4.01 0.00 1.77 1.81 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.63 7.81 129 G 9.05 4.19 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 0.00 0.00 0.00 130 K 7.63 4.46 0.00 1.95 1.82 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.22 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.43 7.81 131 T 8.64 4.50 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 0.00 132 P 0.00 4.25 0.00 2.20 2.19 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 133 E 8.15 3.98 0.00 2.10 1.96 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 2.39 2.48 0.00 134 E 8.13 3.97 0.00 2.35 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 0.00 2.35 2.39 0.00 135 I 8.12 3.87 2.11 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.95 0.98 0.00 0.00 136 R 8.82 4.00 0.00 2.02 2.17 0.00 3.30 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 137 K 8.27 3.99 0.00 1.97 1.84 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.75 7.81 138 T 8.20 3.77 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 1.15 0.00 0.00 139 F 8.19 4.51 0.00 3.13 3.13 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 0.00 140 N 7.57 4.13 0.00 2.70 2.78 0.00 0.00 7.04 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.67 4.33 1.92 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 1.40 1.02 0.91 0.00 0.00 142 K 8.37 4.09 0.00 1.70 1.67 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.41 7.81 143 N 8.51 4.66 0.00 2.82 2.75 0.00 0.00 7.13 8.49 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 0.00 144 D 8.34 4.20 0.00 2.08 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 0.00 0.00 0.00 145 F 7.79 4.79 0.00 3.14 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 0.00 146 T 8.19 4.15 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 1.24 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.