NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 63 T 4.3911 8.0176 110.9520 61.2998 70.3155 174.0870 64 S 4.0403 8.2908 114.8384 59.9041 62.8359 174.0654 65 W 4.5032 7.6638 119.9112 56.9561 30.3446 177.7204 66 R 4.2093 7.9489 116.6969 57.0889 29.3882 177.5638 67 S 4.5918 8.9644 114.9192 59.9857 64.4788 173.0063 68 E 5.4501 7.9555 116.3439 56.1727 32.3763 173.8500 69 A 4.6520 7.9736 119.5288 51.8062 22.6982 175.1229 70 T 5.4852 8.8260 115.9328 61.8489 71.2943 173.7083 71 F 5.2407 9.2287 120.4322 55.3663 41.8518 173.5447 72 Q 5.2550 8.9177 117.5576 54.3704 32.8211 174.7244 73 F 5.0980 9.3036 122.8717 57.3441 43.0819 173.0799 74 T 4.7748 8.2311 122.8375 61.9351 70.1401 174.0782 75 V 3.8279 8.5913 127.6255 61.8862 32.8586 175.2869 76 E 4.6533 8.8161 127.1942 54.7397 31.8458 175.4043 77 R 4.0922 8.5468 115.7086 55.6110 28.2593 178.7387 78 F 4.0631 8.6987 121.3531 61.4497 39.5740 177.1967 79 S 4.4450 8.9876 113.8842 60.9675 62.6420 175.0784 80 R 4.4198 7.7521 117.9224 55.3938 30.2944 176.1728 81 L 3.9889 7.8932 121.6849 55.8155 42.1669 176.7574 82 S 4.6261 8.5438 116.9343 57.6329 64.6124 172.8809 83 E 4.7793 7.7550 119.2223 54.4178 33.5434 174.7044 84 S 4.6452 8.4694 115.0059 58.6489 64.0505 173.9514 85 V 4.6133 9.1024 115.6468 59.5009 35.0160 174.2582 86 L 5.1158 8.4365 125.6017 53.1738 44.5601 176.0902 87 S 3.0955 8.0279 120.4621 56.1936 64.4676 171.9902 88 P 4.4095 0.0000 0.0000 61.4193 31.8217 174.4639 89 P 4.4034 0.0000 0.0000 62.7083 32.4755 175.0439 90 C 4.4418 8.1665 122.6750 57.4793 33.7670 172.4544 91 F 5.4838 8.6637 125.1557 56.1335 39.8826 175.4535 92 V 4.2857 8.1683 122.6797 61.7643 34.9283 175.2468 93 R 3.9487 9.4880 126.1204 57.3154 28.0619 175.8954 94 N 3.8410 8.5501 112.6422 54.1246 37.9924 173.2357 95 L 4.7983 7.6756 115.4662 51.5432 45.4264 173.7843 96 P 3.9273 0.0000 0.0000 61.7755 32.7074 174.6772 97 W 4.9742 8.5186 124.8298 54.6910 31.9825 175.2766 98 K 5.0549 9.1764 121.9836 54.8628 36.7083 175.2302 99 I 4.8845 8.9795 124.0210 60.7212 39.0691 174.4875 100 M 5.1935 9.3871 126.6111 53.7563 35.0440 174.2584 101 V 5.1039 8.7505 126.0745 61.3532 34.8889 174.0254 102 M 5.2645 9.0267 123.6725 53.2661 34.8153 172.2623 103 P 4.9305 0.0000 0.0000 63.0700 32.5731 175.4883 104 R 4.9168 9.0220 120.5251 54.7161 34.9962 174.8650 105 F 4.7264 8.7674 118.4319 55.8450 40.4081 174.3560 *112 Q 2.8260 8.1812 123.4168 54.9955 29.2007 173.4939 113 K 3.7940 7.5342 118.0599 56.8488 31.9710 174.2759 114 S 5.3396 7.9281 109.4655 56.9329 67.8696 172.7374 115 V 4.7955 9.1176 121.6175 61.9536 33.0323 174.9128 116 G 4.6249 9.7020 116.2576 46.2728 0.0000 172.4462 117 F 5.6454 9.1258 126.2279 56.7250 42.5384 173.3159 118 F 5.3609 10.0823 124.5559 55.7000 43.8912 173.3897 119 L 5.2825 9.3411 123.3791 53.6773 44.1313 174.8494 120 Q 5.4667 9.5967 127.6224 54.5456 32.0386 173.5483 121 C 4.1734 9.0962 125.5091 57.8089 33.0463 173.1481 122 N 3.5465 8.1146 124.7283 54.1219 37.5037 175.9611 123 A 4.3467 7.7505 120.3224 54.7153 19.0666 179.4177 124 E 3.9879 8.0037 116.0106 58.9728 29.9836 177.4439 125 S 4.1127 7.0648 112.9785 58.7076 62.6372 173.5703 126 D 4.6688 8.5729 125.1342 53.7857 39.9395 176.6051 127 S 4.4111 7.9580 115.8808 58.9559 62.8594 173.5166 128 T 4.4407 8.5916 114.9465 61.2879 69.3032 174.2733 129 S 4.8422 8.2629 116.9180 58.5394 64.6835 174.0720 130 W 5.2447 8.2095 118.0481 56.4794 29.5444 175.7039 131 S 4.8104 9.0080 114.2480 57.9313 66.4268 173.1876 132 C 5.0106 9.3584 122.2433 58.9927 35.3291 171.9877 133 H 5.3896 9.1886 126.4332 55.4838 31.3115 173.5255 134 A 5.1687 9.0141 125.4872 50.8996 23.1792 174.7760 135 Q 5.2067 8.9296 117.7716 54.4660 32.5358 174.7710 136 A 4.9283 8.8913 121.9360 50.9849 23.6914 175.2914 137 V 4.6586 8.7620 119.7096 61.2316 34.1228 174.3893 138 L 4.9768 8.9423 129.0784 53.1830 43.4331 175.6928 139 K 5.3497 9.6656 125.1315 54.8192 36.3779 174.7557 140 I 4.5472 9.0175 127.9294 59.3976 38.9168 175.2335 141 I 4.0853 8.2650 129.2988 61.3926 37.7169 175.2807 142 N 4.6911 8.6874 126.4141 51.8867 39.0803 174.4827 143 Y 4.2730 8.6207 125.7766 59.2590 38.5558 177.3064 144 R 3.7947 7.0867 118.8094 58.2213 30.7359 176.0646 145 D 4.2277 7.9817 117.0915 53.2124 43.2538 175.1207 146 D 4.4254 8.7244 127.8993 57.2483 41.3702 177.9029 147 E 4.1210 8.3321 117.2332 58.1359 29.4853 177.5073 148 K 4.3699 7.9451 117.3576 56.3363 32.6278 177.0925 149 S 4.6217 7.7833 115.9987 58.7406 63.7224 173.3586 150 F 5.0574 9.2116 125.8887 56.6390 41.0451 174.6384 151 S 5.3615 7.7819 119.3925 56.7873 66.3254 173.3075 152 R 4.5491 8.8859 119.0637 54.4359 34.3914 174.3525 153 R 5.3759 8.6149 117.8899 54.7040 32.2013 174.9652 154 I 5.0066 8.7943 113.1412 59.7291 41.8545 174.0462 155 S 5.0246 8.6119 117.0808 57.4942 65.1845 172.4386 156 H 4.2773 9.0492 125.5442 54.7857 33.6463 172.2749 157 L 4.6403 7.5963 126.8942 53.8445 42.2995 175.6853 158 F 4.7313 9.5556 127.2350 57.2694 40.6172 175.1557 159 F 3.2818 8.3894 117.2530 55.3441 41.0677 174.5161 160 H 4.1621 8.0642 114.1606 58.6824 27.8406 176.5389 161 K 3.8568 6.2233 116.5931 57.3045 32.8902 176.7568 162 E 4.5382 6.4414 118.3523 54.7790 30.1360 175.3453 163 N 5.2989 7.8689 115.6278 53.6512 39.2328 175.8428 164 D 5.7918 7.9849 117.9911 52.3042 43.0932 174.4069 165 W 5.0908 9.0349 128.7005 55.8831 34.3308 174.5910 166 G 3.5140 6.8943 112.5185 46.1153 0.0000 171.5248 167 F 4.6063 7.3031 120.1747 55.3316 41.9190 176.4500 168 S 4.4105 8.8534 120.2430 60.6021 63.8309 173.7066 169 N 5.4584 7.7772 116.0221 50.7511 38.5127 173.7051 170 F 4.2063 8.9067 123.4624 61.0960 40.4456 174.9852 171 M 4.5862 7.8611 117.4289 52.3205 36.2546 173.9119 172 A 4.3664 8.1907 123.1142 51.7480 20.3159 178.8006 173 W 4.0619 9.1737 134.5236 60.5542 30.6215 178.8064 174 S 4.2555 8.1573 113.0022 61.1558 62.8233 175.8373 175 E 4.0121 7.8687 122.4976 59.2007 29.3918 178.6746 176 V 3.2896 7.1912 116.7511 65.5759 31.5951 177.1167 177 T 4.3501 7.2702 106.5760 60.7702 69.3965 174.1447 178 D 4.3938 7.5568 123.1490 53.6403 41.1028 174.9180 179 P 4.3964 0.0000 0.0000 64.9005 31.2536 176.6079 180 E 4.5187 8.4399 117.2884 56.1696 29.9644 176.6261 181 K 4.0086 7.9721 119.5291 56.9997 32.8441 177.9306 182 G 3.3708 8.1589 105.4782 44.9355 0.0000 174.5951 183 F 4.5186 7.6388 117.3513 57.8125 39.8924 175.7087 184 I 4.6994 7.5256 119.1848 59.0844 40.5828 174.0842 185 D 4.4238 8.7379 125.2975 54.2118 44.0804 174.6855 186 D 4.4389 9.3227 125.9865 55.4542 39.6495 172.2208 187 D 4.4930 8.1917 111.9173 54.9089 40.0170 172.0698 188 K 4.9629 7.8959 115.2120 54.0629 35.7325 175.6184 189 V 4.5625 8.3962 123.2083 61.3167 34.9340 174.0259 190 T 4.9018 8.1823 123.6874 61.9914 70.7714 173.3537 191 F 5.0199 9.2236 125.0363 55.6795 42.0791 174.3694 192 E 5.1154 9.6626 122.4594 54.5568 33.6442 174.2700 193 V 4.8731 8.4720 124.8257 61.0411 35.2382 173.7511 194 F 5.5250 9.1133 130.4628 56.6760 41.3945 174.0094 195 V 4.4018 8.3739 126.5543 59.7217 34.0996 174.8702 196 Q 4.3780 8.7005 122.6746 54.1691 31.2649 174.1344 197 A 5.1372 8.4340 126.1275 50.0467 21.5928 175.7799 198 D 4.7973 9.0922 121.0633 52.9753 42.5122 176.4208 199 A 4.1081 8.4632 123.0141 51.9635 18.7359 176.1537 200 P 4.7912 0.0000 0.0000 62.6292 32.5460 175.2979 201 H 4.7552 8.9407 116.8744 54.9353 31.6194 174.3366 202 G 3.0756 8.0968 107.0322 45.8204 0.0000 174.5365 203 V 3.8471 7.1113 114.9625 62.6945 33.5796 176.7952 204 A 4.4705 8.3220 121.9081 49.8367 18.0081 178.4055 205 W 4.5160 8.0237 122.6295 56.6645 29.1200 176.6527 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 63 T 8.02 4.39 4.38 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 1.30 0.00 0.00 64 S 8.29 4.04 0.00 3.80 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 65 W 7.66 4.50 0.00 3.34 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 66 R 7.95 4.21 0.00 1.95 2.25 0.00 2.97 0.00 0.00 3.41 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 67 S 8.96 4.59 0.00 3.94 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 68 E 7.96 5.45 0.00 1.92 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 2.24 2.30 0.00 69 A 7.97 4.65 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 70 T 8.83 5.49 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 1.32 0.00 0.00 71 F 9.23 5.24 0.00 3.11 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 72 Q 8.92 5.26 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 73 F 9.30 5.10 0.00 3.13 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 74 T 8.23 4.77 4.10 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 1.11 0.00 0.00 75 V 8.59 3.83 2.44 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 1.16 0.00 0.00 0.88 0.00 0.00 76 E 8.82 4.65 0.00 1.89 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 2.27 0.00 77 R 8.55 4.09 0.00 2.02 2.00 0.00 3.45 0.00 0.00 3.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 78 F 8.70 4.06 0.00 3.11 3.07 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 0.00 0.00 0.00 79 S 8.99 4.44 0.00 4.18 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 80 R 7.75 4.42 0.00 2.03 2.03 0.00 3.23 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 81 L 7.89 3.99 0.00 1.57 1.66 1.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.54 4.63 0.00 3.93 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 83 E 7.75 4.78 0.00 1.92 1.84 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 0.00 2.20 2.22 0.00 84 S 8.47 4.65 0.00 3.89 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 85 V 9.10 4.61 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 1.12 0.00 0.00 86 L 8.44 5.12 0.00 1.54 1.40 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.03 3.10 0.00 3.40 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 88 P 0.00 4.41 0.00 2.06 2.02 0.00 3.67 0.00 0.00 3.51 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 89 P 0.00 4.40 0.00 1.13 1.66 0.00 3.63 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.82 0.00 90 C 8.17 4.44 0.00 1.85 1.33 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.66 5.48 0.00 2.86 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 92 V 8.17 4.29 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 0.84 0.00 0.00 0.73 0.00 0.00 93 R 9.49 3.95 0.00 2.21 2.14 0.00 3.67 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.98 0.00 94 N 8.55 3.84 0.00 1.44 2.10 0.00 0.00 6.85 7.78 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 95 L 7.68 4.80 0.00 1.51 0.90 0.73 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 3.93 0.00 1.66 1.67 0.00 3.21 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 1.60 1.73 0.00 97 W 8.52 4.97 0.00 3.06 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 98 K 9.18 5.05 0.00 1.62 1.57 0.00 1.54 0.00 0.00 1.66 0.00 0.00 2.67 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.23 1.22 7.81 99 I 8.98 4.88 1.98 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.76 0.95 0.00 0.00 100 M 9.39 5.19 0.00 2.27 1.97 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 2.50 2.52 0.00 101 V 8.75 5.10 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 0.75 0.00 0.00 -0.28 0.00 0.00 102 M 9.03 5.26 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.77 0.00 103 P 0.00 4.93 0.00 1.70 1.56 0.00 3.74 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 1.99 2.04 0.00 104 R 9.02 4.92 0.00 1.84 1.92 0.00 3.36 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.07 0.00 105 F 8.77 4.73 0.00 2.85 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 *112 Q 8.18 2.83 0.00 1.22 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.26 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 113 K 7.53 3.79 0.00 1.51 1.45 0.00 1.63 0.00 0.00 1.90 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.43 7.81 114 S 7.93 5.34 0.00 4.13 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 0.00 115 V 9.12 4.80 2.38 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 1.37 0.00 0.00 1.16 0.00 0.00 116 G 9.70 4.62 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 0.00 0.00 0.00 117 F 9.13 5.65 0.00 2.77 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 0.00 118 F 10.08 5.36 0.00 3.10 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 0.00 119 L 9.34 5.28 0.00 1.95 1.93 1.40 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 9.60 5.47 0.00 2.22 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.54 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 121 C 9.10 4.17 0.00 1.23 2.28 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 0.00 122 N 8.11 3.55 0.00 1.63 1.42 0.00 0.00 6.70 8.96 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 0.00 123 A 7.75 4.35 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 0.00 124 E 8.00 3.99 0.00 1.82 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 2.24 2.32 0.00 125 S 7.06 4.11 0.00 3.80 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 0.00 126 D 8.57 4.67 0.00 2.86 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 0.00 127 S 7.96 4.41 0.00 4.03 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 0.00 128 T 8.59 4.44 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 1.23 0.00 0.00 129 S 8.26 4.84 0.00 4.29 4.37 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.21 5.24 0.00 3.45 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 0.00 131 S 9.01 4.81 0.00 3.80 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 0.00 132 C 9.36 5.01 0.00 3.24 3.09 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 0.00 133 H 9.19 5.39 0.00 3.30 3.37 0.00 5.71 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 0.00 134 A 9.01 5.17 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 0.00 135 Q 8.93 5.21 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 136 A 8.89 4.93 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 0.00 137 V 8.76 4.66 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 1.03 0.00 0.00 1.10 0.00 0.00 138 L 8.94 4.98 0.00 1.56 0.38 0.90 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 139 K 9.67 5.35 0.00 1.83 1.69 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.67 7.81 140 I 9.02 4.55 1.89 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 0.39 0.70 0.51 0.00 0.00 141 I 8.26 4.09 1.83 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 1.09 0.73 0.92 0.00 0.00 142 N 8.69 4.69 0.00 2.39 2.68 0.00 0.00 7.25 7.07 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 0.00 143 Y 8.62 4.27 0.00 3.01 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 0.00 144 R 7.09 3.79 0.00 1.50 1.71 0.00 2.81 0.00 0.00 2.87 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 145 D 7.98 4.23 0.00 2.54 2.32 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 0.00 146 D 8.72 4.43 0.00 2.76 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 0.00 147 E 8.33 4.12 0.00 2.09 1.97 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 2.32 2.25 0.00 148 K 7.95 4.37 0.00 1.65 1.67 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.38 7.81 149 S 7.78 4.62 0.00 3.91 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 0.00 150 F 9.21 5.06 0.00 3.18 2.99 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 0.00 151 S 7.78 5.36 0.00 3.90 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 0.00 152 R 8.89 4.55 0.00 1.33 1.16 0.00 2.21 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.50 0.00 153 R 8.61 5.38 0.00 1.86 1.94 0.00 3.01 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 154 I 8.79 5.01 2.19 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.98 1.01 0.00 0.00 155 S 8.61 5.02 0.00 3.92 3.80 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 0.00 156 H 9.05 4.28 0.00 2.18 2.41 0.00 5.82 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 0.00 157 L 7.60 4.64 0.00 1.59 1.31 0.66 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 158 F 9.56 4.73 0.00 3.37 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 0.00 159 F 8.39 3.28 0.00 2.53 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 0.00 160 H 8.06 4.16 0.00 3.35 3.56 0.00 5.52 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 0.00 161 K 6.22 3.86 0.00 0.91 1.56 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.16 0.76 7.81 162 E 6.44 4.54 0.00 1.58 1.76 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 2.18 1.87 0.00 163 N 7.87 5.30 0.00 3.36 3.41 0.00 0.00 5.59 8.07 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 0.00 164 D 7.98 5.79 0.00 2.95 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 0.00 165 W 9.03 5.09 0.00 2.89 2.84 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 0.00 0.00 0.00 0.00 166 G 6.89 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 F 7.30 4.61 0.00 3.18 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 0.00 168 S 8.85 4.41 0.00 4.18 4.38 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 0.00 169 N 7.78 5.46 0.00 2.74 2.83 0.00 0.00 7.22 7.45 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 0.00 170 F 8.91 4.21 0.00 3.38 3.46 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 0.00 171 M 7.86 4.59 0.00 1.83 1.97 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 1.76 0.00 172 A 8.19 4.37 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 0.00 173 W 9.17 4.06 0.00 3.47 3.07 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 0.00 0.00 0.00 174 S 8.16 4.26 0.00 4.11 4.07 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 0.00 0.00 0.00 175 E 7.87 4.01 0.00 1.96 1.95 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 2.21 2.34 0.00 176 V 7.19 3.29 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 0.27 0.00 0.00 0.62 0.00 0.00 177 T 7.27 4.35 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 0.75 0.00 0.00 178 D 7.56 4.39 0.00 2.95 2.71 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 0.00 179 P 0.00 4.40 0.00 2.23 2.19 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 180 E 8.44 4.52 0.00 2.05 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 2.25 2.38 0.00 181 K 7.97 4.01 0.00 1.94 1.92 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.17 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.74 7.81 182 G 8.16 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 F 7.64 4.52 0.00 3.05 2.84 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 0.00 0.00 0.00 0.00 184 I 7.53 4.70 1.90 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 1.28 0.96 0.94 0.00 0.00 185 D 8.74 4.42 0.00 2.22 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 0.00 0.00 0.00 0.00 186 D 9.32 4.44 0.00 2.75 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 0.00 187 D 8.19 4.49 0.00 2.94 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 0.00 188 K 7.90 4.96 0.00 1.77 1.56 0.00 1.58 0.00 0.00 1.51 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.55 7.81 189 V 8.40 4.56 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 -0.09 0.00 0.00 190 T 8.18 4.90 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 1.20 0.00 0.00 191 F 9.22 5.02 0.00 2.88 2.47 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 0.00 192 E 9.66 5.12 0.00 1.96 1.78 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 2.22 2.37 0.00 193 V 8.47 4.87 1.18 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 0.88 0.00 0.00 0.95 0.00 0.00 194 F 9.11 5.53 0.00 3.09 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 0.00 195 V 8.37 4.40 1.75 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 0.27 0.00 0.00 -0.09 0.00 0.00 196 Q 8.70 4.38 0.00 1.74 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 1.65 1.35 0.00 197 A 8.43 5.14 1.13 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 0.00 198 D 9.09 4.80 0.00 2.64 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 0.00 199 A 8.46 4.11 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 0.00 200 P 0.00 4.79 0.00 2.11 2.19 0.00 3.73 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 201 H 8.94 4.76 0.00 3.14 3.08 0.00 5.94 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 0.00 202 G 8.10 3.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 V 7.11 3.85 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 0.80 0.00 0.00 0.94 0.00 0.00 204 A 8.32 4.47 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 0.00 205 W 8.02 4.52 0.00 3.29 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 * Residues marked with a * may have inaccurate shift predictions.