NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 F 4.8270 8.3249 115.8490 56.3905 39.8261 175.3147 12 R 3.9634 7.1664 119.2985 56.6009 30.4113 176.0262 13 K 4.0634 7.6843 117.2744 58.3058 33.3098 177.0425 14 V 3.9534 7.6070 119.0212 60.9994 32.4971 177.4005 15 D 4.6481 8.6148 127.0706 52.9156 37.4613 176.3774 16 V 3.4991 7.7621 122.6825 66.4813 32.1228 176.5157 17 D 4.4770 8.1822 117.5939 56.7571 40.3691 178.2292 18 E 3.8078 8.4694 119.7065 59.0114 29.3777 177.3226 19 Y 4.5566 6.9545 113.4958 57.6001 37.9665 174.9394 20 D 4.4240 7.8164 121.5768 54.3302 42.1473 176.6120 21 E 4.5773 8.5363 130.8911 54.5574 28.4276 176.0229 22 N 4.8567 7.7947 110.1787 53.8486 44.2844 175.6570 23 K 4.2615 7.6243 119.9098 55.8627 33.0215 175.6658 24 F 4.7455 8.4492 124.6015 56.9782 40.5520 175.2816 25 V 4.0651 6.5885 125.0340 60.7737 34.1956 174.8941 26 D 4.3295 8.3836 129.0551 54.1827 42.6643 176.6363 27 E 3.3949 9.1738 113.0731 59.6489 28.6647 179.4132 *35 A 4.0407 8.8811 115.2583 52.2489 20.4782 177.4890 36 G 4.2094 8.5015 107.6005 42.2047 0.0000 171.0900 37 P 4.3949 0.0000 0.0000 61.9885 32.1911 176.3931 38 D 4.6474 8.2841 118.5726 52.9361 41.9347 176.1528 39 E 4.0051 8.8528 127.7037 59.7768 29.5866 179.7340 40 G 3.5851 8.0529 104.7946 47.7355 0.0000 174.9331 41 E 3.9329 9.3454 122.5838 59.2234 29.6114 179.2389 42 V 3.7108 7.8423 118.1464 65.9806 31.5631 177.7159 43 D 4.4568 8.0130 118.0364 56.7087 40.5954 179.0126 44 S 4.0813 8.0166 116.2761 61.8595 62.8477 176.3998 45 C 4.1513 7.6753 118.0127 62.7044 27.6577 175.9257 46 L 3.9056 7.7820 121.1738 58.0547 41.7202 178.8946 47 R 4.1353 8.1617 115.6898 58.7278 29.6056 177.7026 48 Q 4.4240 7.8655 116.7605 55.2915 28.9713 177.1357 49 G 3.8899 8.0702 107.8060 46.4412 0.0000 175.2469 50 N 4.6848 7.9671 119.5960 52.0662 34.7786 174.8915 51 M 3.7662 7.6807 125.1815 59.1141 32.4910 178.4516 52 T 4.1445 8.1752 114.6437 67.1370 68.5922 176.1703 53 A 4.1013 8.0021 121.6960 54.5942 18.3378 179.6413 54 A 3.8907 8.3003 119.9639 55.3811 18.4391 179.0365 55 L 3.9205 8.3213 118.2683 59.0515 41.8059 179.0842 56 Q 4.0517 7.8972 116.6172 58.8807 28.9567 178.7996 57 A 4.1303 8.1142 121.5981 55.0642 18.3827 179.4360 58 A 4.0555 8.5974 117.7095 53.9489 18.3590 178.6432 59 L 4.5859 7.1404 115.9346 53.2774 42.5154 175.8240 60 K 4.2289 7.6707 121.1266 56.8775 32.9098 176.5777 61 N 4.1576 8.7492 120.5261 53.8424 35.5512 171.5685 62 P 4.4933 0.0000 0.0000 61.7250 33.1301 175.9958 63 P 4.6599 0.0000 0.0000 62.4262 29.6221 177.0380 64 I 4.0390 7.4053 117.4971 62.6102 38.0914 177.1023 65 N 4.9422 8.0980 116.0073 52.8074 39.3477 173.7988 66 T 4.5402 7.6411 108.8018 60.0578 70.3723 175.1022 67 K 4.0665 8.4983 123.4397 57.9901 32.8803 177.4687 68 S 4.3682 7.8662 114.5247 57.5909 63.1915 174.3148 69 Q 4.2197 8.7087 128.4320 57.9302 28.5842 178.3547 70 A 4.0274 7.8041 123.0323 55.0542 18.4843 180.0350 71 V 3.6518 7.7476 117.0733 64.5476 31.2989 178.7483 72 K 4.0087 7.7025 117.9702 59.6545 32.0116 179.0721 73 D 4.4478 8.3577 121.3642 57.7388 40.5794 179.9668 74 R 3.8906 8.1230 121.2026 61.4744 29.5300 182.8214 75 A 4.2513 7.8656 122.2791 54.7205 18.2772 180.0132 76 G 3.5305 8.3630 104.6325 48.0258 0.0000 176.1288 77 S 4.0555 8.2123 118.0696 61.3002 62.9851 176.7810 78 I 3.5956 7.7237 122.4440 64.3751 36.8341 178.7447 79 V 3.2627 7.4580 118.8292 65.8163 31.2807 177.8138 80 L 3.8112 8.2475 120.3977 57.7482 41.7403 178.9019 81 K 3.8500 8.4075 120.0478 59.4017 32.2961 178.9648 82 V 3.6003 7.4697 117.9787 66.0391 31.2440 177.7576 83 L 3.1369 7.6830 117.7384 57.8153 41.4051 179.4338 84 I 3.9877 7.6484 118.5010 64.3770 37.1328 178.1203 85 S 4.3257 8.1805 115.3679 60.8503 62.8718 174.8912 86 F 4.2038 7.9712 118.4796 57.6426 38.9322 174.2907 87 K 4.6394 8.2614 119.7431 55.0944 34.7578 177.8452 88 A 4.1131 8.5827 127.1089 55.5220 18.7587 178.6812 89 N 4.5979 8.0946 109.8115 54.5988 38.9457 175.3233 90 D 4.8837 9.3391 118.2457 54.3357 42.3749 178.5208 91 I 2.8857 7.4066 120.6451 64.0538 36.9456 177.5018 92 E 3.7369 7.9302 119.6135 59.2251 29.0869 178.6078 93 K 3.8843 7.9148 117.5223 59.4052 32.6126 178.1528 94 A 4.2285 7.7576 121.0371 55.2387 18.4789 179.4784 95 V 3.5622 7.8989 117.1654 66.6166 31.3258 178.3341 96 Q 4.1097 8.0031 116.0318 58.6106 28.5262 178.5937 97 S 4.2908 7.8298 114.7394 60.0360 63.4938 174.9552 98 L 4.2391 7.0948 121.6158 54.3754 42.2547 176.2560 99 D 4.7880 8.3978 120.5447 52.1965 41.2220 177.5195 100 K 3.9527 8.7080 120.1101 60.2736 32.0125 178.9440 101 N 4.5176 7.8337 114.7651 55.9302 38.3046 177.8226 102 G 3.5859 8.8741 107.6484 47.8430 0.0000 175.7602 103 V 3.6405 7.8663 120.8670 65.7207 31.5737 177.4094 104 D 4.3765 8.1034 118.4199 57.5406 40.7403 178.6941 105 L 3.8822 7.9722 120.5283 57.9331 41.9628 178.6324 106 L 4.0551 8.3192 120.6107 58.4826 41.9667 178.6807 107 M 4.1720 8.1156 118.4845 58.6430 31.8924 178.8214 108 K 3.9287 7.8753 117.8767 59.7548 32.0931 179.0556 109 Y 4.1750 7.6869 116.7689 61.2207 37.7067 178.3366 110 I 3.3969 8.4690 121.5621 64.7453 36.9194 178.1190 111 Y 3.9892 8.0285 116.6469 60.6537 37.9899 177.7762 112 K 4.2636 8.5088 121.2741 59.4451 32.2364 179.0988 113 G 3.5657 8.4055 106.4275 47.8100 0.0000 175.5217 114 F 4.6178 7.5275 119.1082 60.2323 38.9874 176.7992 115 E 4.4295 8.0313 116.2487 57.0055 30.8289 177.2085 116 S 4.6706 8.0386 114.7644 56.0680 63.5329 171.1702 117 P 4.4478 0.0000 0.0000 62.2792 31.8194 176.7063 118 S 4.3896 9.0191 113.5005 58.8164 66.0366 175.5560 119 D 4.0671 9.3910 125.0548 55.7825 37.9381 173.2757 120 N 4.3276 8.3256 111.1418 54.5244 36.4936 177.2385 121 S 4.2321 7.7560 115.3421 61.6247 63.1623 175.7293 122 S 4.3476 8.1955 117.9266 61.0620 62.0558 176.2768 123 A 4.0830 7.8466 123.8978 55.0617 18.1022 179.9863 124 V 3.5785 7.7977 117.2341 64.8239 31.8618 178.4915 125 L 4.0193 8.2501 119.4470 57.2372 41.2331 179.1447 126 L 4.3719 8.1271 118.6439 57.1528 41.4853 179.2632 127 Q 4.0587 7.6553 118.1756 58.5137 28.7417 178.3206 128 W 3.8283 8.4815 120.0875 59.8318 29.0182 177.8163 129 H 4.0551 8.4959 118.2769 59.5173 29.1152 176.7385 130 E 4.0220 8.0944 120.9309 59.2551 29.3712 178.9191 131 K 3.9660 7.7641 118.3597 58.9443 32.1903 179.1976 132 A 4.0017 8.3448 121.5479 54.9122 18.2939 179.3635 133 L 3.8311 8.2888 119.0911 58.3939 41.9706 179.1602 134 A 4.0576 7.6103 119.1315 54.9105 18.3088 179.0163 135 A 4.2695 7.8717 118.7305 54.1036 18.9646 179.0290 136 G 3.9561 8.7464 101.8093 42.9056 0.0000 174.5438 137 G 4.0817 8.3780 109.9295 44.8847 0.0000 175.0507 138 V 3.7755 8.2229 118.2450 64.3872 31.0135 178.5550 139 G 3.6240 8.1347 106.5727 47.6633 0.0000 175.6217 140 S 4.3595 8.1400 115.9018 61.1475 63.3746 176.5381 141 I 3.8693 7.5715 123.1587 64.1387 37.0464 177.9153 142 V 3.5296 7.8624 119.2423 66.3399 30.9268 178.0709 143 R 4.0746 8.0342 116.0788 57.9068 29.5444 178.8936 144 V 3.4463 7.8169 118.7973 65.6533 31.7322 177.5734 145 L 4.0524 7.6056 117.2189 57.8864 41.6284 179.0250 146 T 4.0307 7.8787 114.4671 64.5744 68.8238 175.2765 147 A 4.0145 6.8800 123.4689 52.8761 18.7003 177.4899 148 R 4.4269 8.5061 120.1292 56.1544 31.3162 176.8001 149 K 4.4092 7.6852 116.8950 55.5922 34.6147 174.9743 150 T 4.6116 8.0987 117.1455 59.5751 70.9226 173.7304 151 V 3.7626 8.0658 114.9253 61.6377 31.4777 176.4654 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 11 F 8.32 4.83 0.00 3.14 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 12 R 7.17 3.96 0.00 1.56 1.81 0.00 2.78 0.00 0.00 3.01 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.50 0.00 13 K 7.68 4.06 0.00 1.74 1.87 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.36 7.81 14 V 7.61 3.95 2.16 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 0.82 0.00 0.00 1.08 0.00 0.00 15 D 8.61 4.65 0.00 2.81 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 16 V 7.76 3.50 2.16 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 1.10 0.00 0.00 1.09 0.00 0.00 17 D 8.18 4.48 0.00 2.71 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 18 E 8.47 3.81 0.00 1.21 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 0.00 2.50 2.26 0.00 19 Y 6.95 4.56 0.00 2.94 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 20 D 7.82 4.42 0.00 2.77 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 21 E 8.54 4.58 0.00 1.99 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 2.26 2.28 0.00 22 N 7.79 4.86 0.00 3.03 2.79 0.00 0.00 6.79 7.49 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 23 K 7.62 4.26 0.00 1.87 1.71 0.00 1.92 0.00 0.00 1.60 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.39 7.81 24 F 8.45 4.75 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 25 V 6.59 4.07 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 0.75 0.00 0.00 0.81 0.00 0.00 26 D 8.38 4.33 0.00 2.64 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 27 E 9.17 3.39 0.00 1.98 1.63 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 2.24 1.92 0.00 *35 A 8.88 4.04 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 36 G 8.50 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 0.00 0.00 0.00 0.00 37 P 0.00 4.39 0.00 2.00 1.97 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.20 0.00 38 D 8.28 4.65 0.00 2.70 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 39 E 8.85 4.01 0.00 2.00 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 2.38 2.33 0.00 40 G 8.05 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 41 E 9.35 3.93 0.00 2.10 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 0.00 2.31 2.33 0.00 42 V 7.84 3.71 2.18 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 0.96 0.00 0.00 0.99 0.00 0.00 43 D 8.01 4.46 0.00 2.92 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 44 S 8.02 4.08 0.00 4.02 3.90 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 45 C 7.68 4.15 0.00 3.02 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 46 L 7.78 3.91 0.00 1.85 1.82 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.16 4.14 0.00 1.96 2.11 0.00 3.10 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.63 0.00 48 Q 7.87 4.42 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.78 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 49 G 8.07 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 50 N 7.97 4.68 0.00 2.80 2.79 0.00 0.00 6.89 7.55 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 51 M 7.68 3.77 0.00 0.51 1.73 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.50 0.00 52 T 8.18 4.14 4.32 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 1.33 0.00 0.00 53 A 8.00 4.10 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 54 A 8.30 3.89 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.32 3.92 0.00 2.02 2.07 0.74 0.85 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 56 Q 7.90 4.05 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.69 0.00 57 A 8.11 4.13 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 58 A 8.60 4.06 1.25 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 59 L 7.14 4.59 0.00 1.61 1.75 0.96 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.67 4.23 0.00 1.81 1.72 0.00 1.96 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.42 7.81 61 N 8.75 4.16 0.00 2.91 2.79 0.00 0.00 7.17 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 62 P 0.00 4.49 0.00 2.06 2.08 0.00 3.71 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 2.08 2.24 0.00 63 P 0.00 4.66 0.00 2.08 2.06 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 64 I 7.41 4.04 1.86 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 1.37 0.45 0.93 0.00 0.00 65 N 8.10 4.94 0.00 2.67 2.79 0.00 0.00 6.88 7.54 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 66 T 7.64 4.54 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 1.22 0.00 0.00 67 K 8.50 4.07 0.00 1.77 1.90 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.36 7.81 68 S 7.87 4.37 0.00 3.89 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 69 Q 8.71 4.22 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 70 A 7.80 4.03 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 71 V 7.75 3.65 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 1.01 0.00 0.00 0.94 0.00 0.00 72 K 7.70 4.01 0.00 2.07 2.14 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.20 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.62 1.66 7.81 73 D 8.36 4.45 0.00 2.71 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 74 R 8.12 3.89 0.00 1.83 1.93 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 75 A 7.87 4.25 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.36 3.53 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 0.00 0.00 0.00 77 S 8.21 4.06 0.00 4.01 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 78 I 7.72 3.60 1.89 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 1.35 1.13 0.82 0.00 0.00 79 V 7.46 3.26 1.51 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 0.49 0.00 0.00 -0.01 0.00 0.00 80 L 8.25 3.81 0.00 1.72 1.75 0.80 0.67 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 81 K 8.41 3.85 0.00 1.90 1.89 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.42 7.81 82 V 7.47 3.60 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 1.17 0.00 0.00 0.92 0.00 0.00 83 L 7.68 3.14 0.00 1.35 0.91 0.39 -1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.65 3.99 1.87 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 1.52 0.62 0.95 0.00 0.00 85 S 8.18 4.33 0.00 4.09 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 86 F 7.97 4.20 0.00 3.64 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 87 K 8.26 4.64 0.00 1.85 1.71 0.00 1.57 0.00 0.00 1.95 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.47 7.81 88 A 8.58 4.11 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 89 N 8.09 4.60 0.00 2.73 2.87 0.00 0.00 6.77 8.06 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 90 D 9.34 4.88 0.00 3.02 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 91 I 7.41 2.89 1.31 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.57 -1.06 0.00 0.00 92 E 7.93 3.74 0.00 1.91 1.88 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 2.43 2.31 0.00 93 K 7.91 3.88 0.00 1.79 2.04 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.53 7.81 94 A 7.76 4.23 1.54 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 0.00 0.00 95 V 7.90 3.56 2.11 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 1.03 0.00 0.00 0.76 0.00 0.00 96 Q 8.00 4.11 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 97 S 7.83 4.29 0.00 4.08 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 98 L 7.09 4.24 0.00 1.84 1.68 0.99 1.10 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 99 D 8.40 4.79 0.00 2.83 2.80 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 0.00 100 K 8.71 3.95 0.00 1.79 1.95 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.55 1.53 7.81 101 N 7.83 4.52 0.00 2.80 2.87 0.00 0.00 6.89 7.46 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 0.00 102 G 8.87 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 0.00 103 V 7.87 3.64 2.25 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 1.12 0.00 0.00 0.96 0.00 0.00 104 D 8.10 4.38 0.00 2.97 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 0.00 105 L 7.97 3.88 0.00 1.90 1.89 0.74 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.32 4.06 0.00 1.85 1.93 0.83 1.34 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 0.00 107 M 8.12 4.17 0.00 2.23 2.35 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 2.72 2.81 0.00 108 K 7.88 3.93 0.00 1.69 1.61 0.00 1.51 0.00 0.00 1.49 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.55 7.81 109 Y 7.69 4.18 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 0.00 110 I 8.47 3.40 1.85 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.87 0.38 0.00 0.00 111 Y 8.03 3.99 0.00 3.18 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 0.00 112 K 8.51 4.26 0.00 1.97 2.06 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.50 1.51 7.81 113 G 8.41 3.57 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 0.00 0.00 0.00 114 F 7.53 4.62 0.00 3.25 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 0.00 115 E 8.03 4.43 0.00 2.25 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 2.43 2.47 0.00 116 S 8.04 4.67 0.00 3.79 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 0.00 117 P 0.00 4.45 0.00 2.07 2.03 0.00 3.74 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 2.06 2.25 0.00 118 S 9.02 4.39 0.00 3.98 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 0.00 119 D 9.39 4.07 0.00 2.87 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 0.00 120 N 8.33 4.33 0.00 2.93 2.92 0.00 0.00 6.75 7.13 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 0.00 121 S 7.76 4.23 0.00 4.09 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 0.00 122 S 8.20 4.35 0.00 3.96 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 0.00 123 A 7.85 4.08 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 0.00 124 V 7.80 3.58 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 0.97 0.00 0.00 1.24 0.00 0.00 125 L 8.25 4.02 0.00 1.76 1.29 0.75 0.20 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 0.00 126 L 8.13 4.37 0.00 2.02 1.79 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 7.66 4.06 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 128 W 8.48 3.83 0.00 3.30 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 0.00 129 H 8.50 4.06 0.00 3.32 3.57 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.09 4.02 0.00 2.06 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 2.29 2.37 0.00 131 K 7.76 3.97 0.00 1.73 1.65 0.00 1.51 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.26 1.35 7.81 132 A 8.34 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.29 3.83 0.00 1.69 1.86 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.61 4.06 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 0.00 0.00 135 A 7.87 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.75 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 0.00 137 G 8.38 4.08 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 0.00 138 V 8.22 3.78 2.11 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 0.80 0.00 0.00 0.96 0.00 0.00 139 G 8.13 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 0.00 0.00 0.00 140 S 8.14 4.36 0.00 4.07 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 0.00 141 I 7.57 3.87 2.08 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 1.76 0.60 0.91 0.00 0.00 142 V 7.86 3.53 2.25 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 1.01 0.00 0.00 0.92 0.00 0.00 143 R 8.03 4.07 0.00 1.89 1.93 0.00 3.16 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 144 V 7.82 3.45 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 0.50 0.00 0.00 0.97 0.00 0.00 145 L 7.61 4.05 0.00 1.68 1.65 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 146 T 7.88 4.03 4.32 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 1.19 0.00 0.00 147 A 6.88 4.01 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 0.00 148 R 8.51 4.43 0.00 1.83 2.03 0.00 3.37 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 149 K 7.69 4.41 0.00 1.99 1.74 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.40 7.81 150 T 8.10 4.61 4.18 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 0.00 0.00 0.00 1.18 0.00 0.00 151 V 8.07 3.76 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 0.11 0.00 0.00 0.58 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.