NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 5.2201 8.2032 119.7401 55.7673 31.1953 174.1855 2 L 4.0992 7.9481 124.3361 57.0923 41.5659 178.0726 3 L 4.2205 9.1375 119.6292 57.0054 42.0974 178.5974 4 Q 4.2471 7.9848 117.9561 58.3812 29.0450 177.6173 5 F 4.5061 8.1886 121.3134 61.4661 39.3915 177.0596 6 R 3.7728 8.2920 118.3332 59.4445 29.8519 178.7142 7 K 4.1470 7.8172 116.9185 59.6343 32.1702 179.2413 8 M 4.5934 8.3198 119.1345 58.5899 31.8471 178.9819 9 I 3.7627 7.7926 119.8871 64.2301 37.2457 178.2856 10 K 4.4216 8.0139 121.8776 58.7858 31.7388 178.7832 11 K 3.7731 8.0120 118.8547 59.9004 32.2598 178.5412 12 M 4.3130 8.0260 117.4116 58.0510 32.0230 177.8634 13 T 4.3017 8.4715 112.3907 61.9215 68.3107 175.8277 14 G 3.8385 8.2710 109.2654 45.3256 0.0000 173.0474 *16 K 4.1598 7.5218 117.5307 55.9914 33.3751 174.7622 17 E 4.3458 8.4261 122.3907 55.1191 29.5482 175.3074 18 P 4.4092 0.0000 0.0000 65.8273 31.5543 179.1162 19 V 3.5835 7.9958 116.3612 65.3572 31.6528 176.9156 20 V 4.1856 7.8039 117.8895 65.0690 32.0280 177.1018 21 S 4.5947 8.0171 113.4204 59.6883 63.3038 174.8767 22 Y 4.5894 7.8455 115.5971 58.3439 40.2377 177.3076 23 A 3.8869 8.2562 122.1124 54.5441 18.6255 177.8355 24 F 4.9916 7.9476 113.3397 57.3390 40.6279 173.9240 25 Y 4.4954 8.2576 121.7050 58.2490 40.1476 176.1752 26 G 3.5512 7.3568 115.0394 47.3918 0.0000 174.4171 27 C 4.8275 10.4462 118.6051 56.6470 41.9801 174.7036 28 Y 4.5023 8.3941 115.2865 58.0598 39.8546 175.7428 29 C 4.4392 7.7680 117.6655 58.1952 40.7352 173.9464 30 G 3.5903 8.7825 110.1763 44.2960 0.0000 172.9304 31 S 4.3355 8.1591 115.4107 61.6365 62.2016 173.5000 32 G 3.6645 9.1774 115.7443 44.8259 0.0000 169.2581 33 G 3.7117 7.5376 108.1789 43.9762 0.0000 172.8973 34 R 4.5257 7.0621 120.8795 55.6808 33.4065 175.8348 35 G 4.0239 8.9138 106.2739 45.4228 0.0000 172.8549 36 K 4.7317 8.2624 124.2423 53.2628 34.5393 174.0924 37 P 4.4695 0.0000 0.0000 63.1165 31.8204 176.3308 38 K 3.7881 9.0642 123.1410 58.8799 32.3744 176.1234 39 N 4.7832 7.3715 113.1049 50.8169 39.6748 173.8090 40 A 4.0162 8.8542 118.6880 56.3931 18.2380 179.8030 41 T 4.1527 7.9980 113.6113 66.6747 68.6087 176.4488 42 D 4.5434 8.5697 120.0548 57.0453 41.1327 178.1985 43 R 4.0304 8.1224 119.5440 59.2773 30.0594 177.7133 44 C 4.2703 7.9960 116.2774 60.1784 39.6826 175.4289 45 C 4.3983 8.3742 117.7520 59.6944 37.7839 175.6021 46 F 3.9216 8.1222 122.3745 61.2639 38.8503 177.4044 47 V 3.1158 7.9111 117.9258 66.1608 31.3846 177.3690 48 H 3.7424 8.0923 117.8549 59.2497 28.9772 176.9631 49 D 4.1957 7.8517 120.7812 57.3750 40.4854 178.0715 50 C 4.2066 7.4686 116.0680 59.5681 41.4805 175.1832 51 C 4.2749 8.1193 120.5820 59.9838 41.6025 175.2738 52 Y 3.9594 7.7666 117.8567 60.6936 37.1165 178.2260 53 E 4.0039 7.5711 118.7854 58.6565 29.7531 178.3436 54 K 4.2320 7.8336 118.1248 57.5439 32.3531 177.6877 55 V 3.5332 6.7649 119.2258 63.7989 31.7406 174.7264 56 T 4.1870 8.5702 122.9767 65.2112 69.9555 176.2676 *59 G 3.6815 7.8068 108.0135 45.2836 0.0000 170.8002 *61 C 5.0147 7.5670 113.3147 55.2621 44.1223 172.0416 *67 D 4.7323 8.4130 116.8533 53.3661 40.3703 173.8408 68 P 3.8884 0.0000 0.0000 64.8188 31.8749 178.0346 69 K 3.5677 7.7008 120.6250 58.2473 32.0577 177.9359 70 W 4.7256 7.6152 113.9040 56.2952 29.9754 175.1459 71 D 4.7683 8.0072 119.9961 53.0119 41.1639 176.0200 72 D 4.5084 8.7024 124.8758 54.1033 41.4802 175.2519 73 Y 4.8499 8.0406 122.0083 55.2669 40.8577 174.2336 74 T 5.0157 8.4778 113.5177 60.6532 70.1914 172.2269 75 Y 5.5019 8.4592 125.2515 56.3962 41.4334 173.6554 76 S 4.3553 8.9990 113.4228 56.1162 66.8311 174.1829 77 W 4.6929 8.5432 120.3988 56.0418 29.2208 176.2660 78 K 3.7925 8.0306 120.4097 58.0450 31.7012 175.5460 79 N 4.1298 9.0845 126.9041 55.0349 36.1638 174.9214 80 G 4.3007 8.5686 101.9656 46.4524 0.0000 173.2273 81 T 4.8616 7.6945 115.5299 61.2740 72.6094 173.4400 82 I 3.4044 7.8543 125.6681 61.0716 38.1426 175.7976 83 V 4.1865 9.3109 127.8833 61.0454 33.4179 173.5768 84 C 4.7044 8.6913 126.0276 56.9435 40.6230 173.6259 85 G 3.8515 8.9318 112.6196 46.4125 0.0000 172.7221 86 G 4.0266 8.7937 105.9621 45.7592 0.0000 173.7273 *88 D 4.8251 8.0871 116.4575 53.6203 42.8943 175.4153 89 D 4.6544 7.7290 119.9082 52.6947 41.9115 175.1054 90 P 4.3255 0.0000 0.0000 65.2578 31.4405 179.2561 91 C 4.2059 8.3112 117.6474 59.6211 44.7922 175.8092 92 K 3.9273 8.0992 119.6493 59.3180 31.7659 179.1180 93 K 3.8243 8.0520 119.9958 59.1668 32.0958 178.4326 94 E 3.8005 8.2566 119.9461 59.5181 29.6567 179.3874 95 V 3.5450 7.6390 112.2674 64.3291 31.3954 177.8233 96 C 3.1432 7.8605 118.4631 59.2065 40.4935 175.4897 97 E 3.5945 7.9278 120.1301 59.0292 28.9976 178.7272 98 C 4.0641 7.6774 116.3504 60.0341 36.8278 175.6365 99 D 3.5087 7.7109 120.2831 57.1050 40.4045 178.8852 100 K 3.7455 8.0465 120.0592 59.4330 32.0549 178.6956 101 A 3.8783 7.8555 120.8433 54.8266 18.2485 179.5594 102 A 3.4359 7.7234 118.9206 55.0230 18.4518 179.5823 103 A 3.8852 7.8189 119.2772 55.4016 18.4110 179.9065 104 I 3.6259 7.4487 117.6872 64.6297 37.0655 177.6605 105 C 4.1335 8.0444 119.3743 59.8732 43.1528 175.6802 106 F 4.4862 7.9552 118.3233 60.6060 38.2932 177.3271 107 R 4.1193 8.0521 118.3158 59.7250 29.7575 178.4170 108 D 4.5047 8.2802 117.0453 56.2978 40.9794 177.3771 109 N 4.9252 7.8340 115.4036 52.7017 39.0434 175.8698 110 L 4.0179 7.7370 124.0495 58.2651 41.7455 179.1755 111 K 4.1034 8.2034 116.8474 59.1180 32.8541 177.5155 112 T 4.5407 7.9760 108.7267 61.2412 68.9426 173.4438 113 Y 4.2437 7.9911 124.8197 57.7828 39.3724 174.3391 114 K 4.5860 9.0338 127.6368 54.3225 34.1233 177.5225 115 K 4.1557 8.6095 125.0033 58.6750 32.4328 178.4841 116 R 4.0256 7.5537 113.7789 58.3099 29.8402 176.7958 117 Y 4.5154 7.1754 116.1808 58.9868 38.4564 175.6704 118 M 4.1709 6.9829 115.7848 55.8067 31.8747 175.4826 119 A 3.7551 8.2868 121.2922 53.3303 16.8931 176.9620 120 Y 4.2027 8.0745 120.0802 57.7716 39.6602 173.2394 121 P 4.3748 0.0000 0.0000 62.4223 32.3081 177.3165 122 D 4.3361 8.7148 123.1080 57.0762 41.1219 178.3081 *124 I 4.3684 7.5698 110.7124 60.6701 39.2420 176.3688 125 L 4.2464 7.4272 118.8415 55.8938 41.8210 176.5026 126 C 4.6443 8.3096 117.1593 55.8451 39.4438 173.4379 127 S 4.3130 8.5422 116.7877 59.1710 62.3666 175.3675 128 S 4.3191 8.5363 119.9178 59.4067 63.2091 174.2762 129 K 4.3508 7.3565 121.0978 54.5009 31.3581 175.6746 130 S 5.2487 8.2281 122.0299 57.8283 63.6115 174.0866 131 E 4.2249 8.0979 124.5607 56.0433 30.3964 175.9621 132 K 4.5537 8.4127 123.5549 55.0763 33.5774 177.6852 133 C 4.3785 8.9681 120.8146 57.5186 41.1269 173.6562 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 H 8.20 5.22 0.00 3.18 3.09 0.00 5.68 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 7.95 4.10 0.00 1.74 1.75 0.68 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 3 L 9.14 4.22 0.00 1.69 1.75 0.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 7.98 4.25 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.24 0.00 5 F 8.19 4.51 0.00 3.30 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.29 3.77 0.00 2.10 2.16 0.00 3.20 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 1.64 1.69 0.00 7 K 7.82 4.15 0.00 2.26 2.11 0.00 1.95 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.57 1.58 7.81 8 M 8.32 4.59 0.00 2.19 2.47 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.45 0.00 9 I 7.79 3.76 1.84 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.37 0.62 0.00 0.00 10 K 8.01 4.42 0.00 1.98 1.98 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.32 7.81 11 K 8.01 3.77 0.00 2.01 1.83 0.00 1.42 0.00 0.00 0.61 0.00 0.00 2.61 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.30 0.94 7.81 12 M 8.03 4.31 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 3.32 0.00 13 T 8.47 4.30 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 1.37 0.00 0.00 14 G 8.27 3.84 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 0.00 0.00 0.00 *16 K 7.52 4.16 0.00 1.95 1.71 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.33 7.81 17 E 8.43 4.35 0.00 2.06 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 2.41 2.44 0.00 18 P 0.00 4.41 0.00 2.19 2.01 0.00 3.69 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.09 0.00 19 V 8.00 3.58 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.02 0.00 0.00 20 V 7.80 4.19 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 0.92 0.00 0.00 0.99 0.00 0.00 21 S 8.02 4.59 0.00 3.51 3.59 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 22 Y 7.85 4.59 0.00 2.97 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 23 A 8.26 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 7.95 4.99 0.00 3.23 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 25 Y 8.26 4.50 0.00 3.09 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 26 G 7.36 3.55 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 0.00 0.00 0.00 27 C 10.45 4.83 0.00 2.94 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 28 Y 8.39 4.50 0.00 3.36 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 7.77 4.44 0.00 3.40 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 30 G 8.78 3.59 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 0.00 0.00 0.00 31 S 8.16 4.34 0.00 3.94 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 32 G 9.18 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 0.00 0.00 0.00 33 G 7.54 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 0.00 0.00 0.00 34 R 7.06 4.53 0.00 1.82 1.78 0.00 3.19 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.53 0.00 35 G 8.91 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 36 K 8.26 4.73 0.00 1.66 1.61 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.20 1.30 7.81 37 P 0.00 4.47 0.00 1.90 1.97 0.00 3.50 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.31 0.00 38 K 9.06 3.79 0.00 1.49 0.87 0.00 1.23 0.00 0.00 1.03 0.00 0.00 2.97 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 0.21 7.81 39 N 7.37 4.78 0.00 2.88 2.90 0.00 0.00 6.02 7.77 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 40 A 8.85 4.02 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.00 4.15 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 1.00 0.00 0.00 42 D 8.57 4.54 0.00 2.98 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 43 R 8.12 4.03 0.00 2.03 2.13 0.00 3.13 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 44 C 8.00 4.27 0.00 3.48 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 45 C 8.37 4.40 0.00 3.43 3.47 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 46 F 8.12 3.92 0.00 2.43 2.98 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 47 V 7.91 3.12 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 0.86 0.00 0.00 1.02 0.00 0.00 48 H 8.09 3.74 0.00 3.14 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.85 4.20 0.00 2.98 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 50 C 7.47 4.21 0.00 2.73 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 51 C 8.12 4.27 0.00 2.95 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 52 Y 7.77 3.96 0.00 3.02 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 53 E 7.57 4.00 0.00 2.16 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 2.31 2.38 0.00 54 K 7.83 4.23 0.00 1.88 1.79 0.00 1.73 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.42 1.44 7.81 55 V 6.76 3.53 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 0.63 0.00 0.00 0.80 0.00 0.00 56 T 8.57 4.19 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 *59 G 7.81 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 *61 C 7.57 5.01 0.00 3.42 3.35 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 *67 D 8.41 4.73 0.00 2.80 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 68 P 0.00 3.89 0.00 0.49 1.34 0.00 3.61 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 69 K 7.70 3.57 0.00 1.29 0.74 0.00 1.51 0.00 0.00 1.50 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.30 0.94 7.81 70 W 7.62 4.73 0.00 3.39 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 71 D 8.01 4.77 0.00 2.89 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 72 D 8.70 4.51 0.00 2.68 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 73 Y 8.04 4.85 0.00 2.98 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 74 T 8.48 5.02 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 1.29 0.00 0.00 75 Y 8.46 5.50 0.00 3.00 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 76 S 9.00 4.36 0.00 3.79 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 77 W 8.54 4.69 0.00 3.36 3.30 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 78 K 8.03 3.79 0.00 1.73 1.78 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.46 7.81 79 N 9.08 4.13 0.00 2.99 2.94 0.00 0.00 7.03 8.10 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 80 G 8.57 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 81 T 7.69 4.86 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 1.20 0.00 0.00 82 I 7.85 3.40 1.49 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 -0.36 0.67 0.00 0.00 83 V 9.31 4.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.01 0.00 0.00 84 C 8.69 4.70 0.00 2.93 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 85 G 8.93 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 0.00 0.00 0.00 86 G 8.79 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 0.00 0.00 0.00 *88 D 8.09 4.83 0.00 2.71 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 7.73 4.65 0.00 2.68 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 90 P 0.00 4.33 0.00 2.17 2.04 0.00 3.63 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 91 C 8.31 4.21 0.00 2.99 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 92 K 8.10 3.93 0.00 1.86 1.92 0.00 1.93 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.52 7.81 93 K 8.05 3.82 0.00 1.93 1.91 0.00 1.77 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.35 7.81 94 E 8.26 3.80 0.00 2.22 1.85 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 2.23 2.29 0.00 95 V 7.64 3.54 1.71 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 0.71 0.00 0.00 1.00 0.00 0.00 96 C 7.86 3.14 0.00 2.03 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 97 E 7.93 3.59 0.00 2.06 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 2.39 2.38 0.00 98 C 7.68 4.06 0.00 3.20 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 99 D 7.71 3.51 0.00 2.61 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 0.00 100 K 8.05 3.75 0.00 1.62 1.78 0.00 1.61 0.00 0.00 1.52 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.25 7.81 101 A 7.86 3.88 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 0.00 102 A 7.72 3.44 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.82 3.89 1.50 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 0.00 0.00 104 I 7.45 3.63 2.02 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 1.41 0.54 0.91 0.00 0.00 105 C 8.04 4.13 0.00 2.97 2.91 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 0.00 106 F 7.96 4.49 0.00 2.98 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 0.00 107 R 8.05 4.12 0.00 2.06 2.16 0.00 3.30 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.05 0.00 108 D 8.28 4.50 0.00 2.72 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 N 7.83 4.93 0.00 2.87 2.90 0.00 0.00 6.43 6.65 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 0.00 110 L 7.74 4.02 0.00 2.06 1.75 0.89 0.36 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 0.00 111 K 8.20 4.10 0.00 1.95 1.98 0.00 1.63 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.49 7.81 112 T 7.98 4.54 4.33 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 1.28 0.00 0.00 113 Y 7.99 4.24 0.00 2.99 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 0.00 114 K 9.03 4.59 0.00 1.69 1.38 0.00 2.01 0.00 0.00 1.94 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.31 1.42 7.81 115 K 8.61 4.16 0.00 1.88 1.80 0.00 1.73 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.53 7.81 116 R 7.55 4.03 0.00 1.73 1.83 0.00 2.47 0.00 0.00 2.94 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.52 0.00 117 Y 7.18 4.52 0.00 1.86 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 M 6.98 4.17 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.65 0.00 119 A 8.29 3.76 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.07 4.20 0.00 3.04 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 0.00 121 P 0.00 4.37 0.00 1.96 1.81 0.00 2.38 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.89 0.00 122 D 8.71 4.34 0.00 2.72 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 *124 I 7.57 4.37 1.85 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 1.38 0.38 0.90 0.00 0.00 125 L 7.43 4.25 0.00 1.68 1.79 0.47 0.80 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 0.00 126 C 8.31 4.64 0.00 3.04 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 0.00 127 S 8.54 4.31 0.00 3.85 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 0.00 128 S 8.54 4.32 0.00 3.91 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 0.00 129 K 7.36 4.35 0.00 1.68 1.75 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.44 7.81 130 S 8.23 5.25 0.00 3.88 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 0.00 131 E 8.10 4.22 0.00 1.89 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 2.16 2.17 0.00 132 K 8.41 4.55 0.00 1.70 1.77 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.56 7.81 133 C 8.97 4.38 0.00 2.93 2.91 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 * Residues marked with a * may have inaccurate shift predictions.