NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 4.4240 8.0176 112.9259 59.7591 70.1700 174.5159 7 P 4.0537 0.0000 0.0000 65.3785 31.1632 176.2921 8 F 4.5751 8.2018 115.9999 56.9011 40.2996 177.3322 9 G 4.0193 7.6877 107.8132 44.4705 0.0000 173.8127 10 G 3.9731 7.1170 108.4670 44.4011 0.0000 171.4022 11 S 4.8813 8.1866 115.4354 55.7139 65.5970 174.8862 12 L 4.0668 8.5014 119.0316 57.4768 41.2244 177.9503 13 D 4.7531 7.8847 116.0676 54.3165 41.7440 177.6786 14 T 3.4337 7.4200 116.2813 65.9830 68.1720 175.4138 15 W 4.5339 7.6034 116.9198 56.5761 30.3634 176.6236 16 A 4.2026 7.8894 121.4049 51.8933 18.5050 176.5729 17 I 4.5119 8.0732 122.3184 59.8625 38.6332 176.8714 18 T 4.2600 8.7782 116.9446 60.8226 71.0518 175.8847 19 V 3.5316 8.1653 120.1991 66.1206 31.4989 177.5095 20 E 3.9257 8.0859 118.5003 59.2361 29.4789 178.3994 21 E 3.8210 8.2629 118.6602 59.5175 29.4916 179.3828 22 R 3.8256 8.1772 118.5464 59.2753 30.1037 178.4106 23 A 4.0120 8.1048 120.7105 54.9675 18.3709 179.7569 24 K 3.9734 8.0247 117.0176 59.9804 32.1270 179.2662 25 H 4.5323 8.4773 116.7443 59.2293 28.6849 177.6267 26 D 4.5823 8.6607 121.0228 57.4453 40.6326 178.9239 27 Q 4.0755 8.2070 118.5905 59.1320 28.5174 178.8222 28 Q 4.1027 8.1577 118.0345 58.8130 29.0715 178.1736 29 F 3.3787 8.7060 122.1767 61.3262 39.2961 176.6135 30 H 3.9544 8.3572 118.0447 59.1849 29.3919 177.2728 31 S 4.0287 7.5428 114.4525 60.6962 62.8476 175.5301 32 L 3.9504 7.1218 120.5746 53.6249 42.8049 176.3843 33 K 3.5465 7.5749 118.0232 56.4588 29.6560 173.5092 34 P 4.1347 0.0000 0.0000 62.7049 32.5440 176.7409 35 I 4.2341 8.5568 122.2431 60.5787 37.8048 176.2964 36 S 3.5032 9.8703 122.7829 59.5202 60.4150 173.6558 37 G 3.8956 8.6555 106.0810 45.2322 0.0000 173.5215 38 F 5.1715 8.1263 118.1218 55.3458 42.3663 174.1297 39 I 4.7729 8.4312 116.9744 58.9086 40.0519 176.1217 40 T 4.3224 8.2142 113.0277 61.3725 70.6261 175.8711 41 G 3.1570 8.1980 108.2042 47.9513 0.0000 175.8536 42 D 4.1429 7.8142 121.0718 55.9607 39.4497 178.3271 43 Q 3.8472 8.0250 120.7460 58.8147 29.0191 177.9670 44 A 3.7988 8.0625 121.8315 55.4080 18.5933 179.9341 45 R 3.9026 7.9648 116.7153 59.3307 29.8059 179.1107 46 N 4.4594 8.1161 115.9261 56.1346 38.8024 176.9517 47 F 4.4428 8.2374 122.1061 61.4937 39.5056 177.1598 48 F 4.5151 8.2612 117.7515 60.7160 38.2555 177.3174 49 F 4.7288 8.4214 119.6582 60.8491 38.9224 176.2413 50 Q 4.2264 7.8618 115.8867 56.9499 28.6421 177.4678 51 S 4.2663 8.0661 116.3494 59.5487 63.3937 175.3396 52 G 3.9513 7.7661 109.8277 44.9472 0.0000 173.8318 53 L 4.2635 7.2935 118.7359 53.5436 42.4848 175.7954 54 P 4.4630 0.0000 0.0000 62.8012 33.1200 177.3845 55 Q 3.9564 8.9380 121.7793 59.2001 29.0885 177.3811 56 P 4.2483 0.0000 0.0000 65.3230 31.4015 178.7590 57 V 3.6161 7.7659 116.6836 66.1564 31.5215 178.0108 58 L 4.0640 8.2141 118.4635 57.5665 41.3795 179.3836 59 A 4.1098 8.3804 121.2600 55.2447 18.3216 179.4479 60 Q 3.9614 8.0697 117.6900 59.3746 29.1018 178.5325 61 I 3.6543 7.9742 120.8936 63.9583 37.0463 177.9776 62 W 4.2391 8.6718 129.4209 60.7421 30.3243 177.9490 63 A 3.8132 7.9015 119.0387 54.8687 17.8365 179.3189 64 L 3.9694 7.8288 116.7925 57.9059 41.7928 179.1989 65 A 3.9993 7.6855 119.3777 53.4701 19.1045 177.5899 66 D 3.9732 7.0571 117.3734 53.9314 41.7076 176.4576 *68 N 4.6451 8.5365 120.9840 51.6494 38.8591 174.3266 69 N 4.4945 8.1414 114.5396 54.7718 36.5729 174.4663 70 D 4.6045 8.0509 116.2116 53.0711 39.8059 177.4061 71 G 4.3824 9.3270 109.8248 45.7089 0.0000 173.0900 72 R 5.1944 8.0297 117.4306 55.1839 30.8035 172.8237 *74 D 4.7847 8.2345 114.6360 53.3674 40.8457 175.6625 75 Q 2.5200 7.9804 117.8554 58.9061 28.8055 178.4933 76 V 3.4908 7.5161 118.7764 66.1142 31.6968 177.7215 77 E 3.9178 8.4963 118.3325 59.3094 29.0308 179.1255 78 F 4.2391 8.1045 120.0005 61.2480 39.4871 176.8015 79 S 4.1270 7.9015 111.8234 61.3831 62.5330 175.7360 80 I 3.8196 7.6637 122.2429 64.2687 36.7398 179.3380 81 A 3.8376 7.6667 118.9040 52.3145 17.9913 179.1075 *83 K 4.1058 8.0206 123.4766 57.9915 34.1392 177.9856 84 L 3.9813 7.8628 118.6329 57.7323 41.3054 179.5471 85 I 3.6017 7.8430 120.1031 64.1341 37.0385 178.3595 86 K 3.9121 7.8946 119.8843 59.4849 32.1167 178.5318 87 L 4.0355 8.0060 119.3019 57.8092 41.5659 179.5247 88 K 4.2074 8.3618 119.6627 59.5908 31.9369 178.8146 89 L 4.0497 8.0769 118.5701 57.7943 41.6266 178.8788 90 Q 4.2768 7.9911 115.7613 56.6151 28.9011 176.9285 91 G 3.9185 7.9050 108.6303 45.1782 0.0000 173.5832 92 Y 4.1768 7.5807 116.8615 57.6240 38.4659 175.7983 93 Q 4.3871 8.4867 121.4926 55.3201 29.8398 176.2627 94 L 4.3290 8.2704 121.4008 53.8659 42.4703 175.3873 95 P 4.5865 0.0000 0.0000 62.2771 32.2092 176.6692 96 S 4.2578 8.4299 113.2155 60.2612 63.5403 173.8575 97 A 4.5655 7.3198 121.6928 49.8764 21.9423 175.1451 98 L 3.9234 8.2729 121.8961 54.1959 41.9767 175.3811 99 P 4.1207 0.0000 0.0000 62.0170 31.7378 175.5414 100 P 4.4725 0.0000 0.0000 65.6148 31.5204 178.9529 101 V 3.8328 6.8078 119.9864 60.9069 30.1899 176.2899 *103 K 4.0494 8.0527 124.4983 57.9085 32.2925 176.1571 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 6 T 8.02 4.42 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 7 P 0.00 4.05 0.00 1.37 1.93 0.00 3.75 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 1.76 1.94 0.00 8 F 8.20 4.58 0.00 3.31 3.19 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 9 G 7.69 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 10 G 7.12 3.97 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 0.00 0.00 0.00 11 S 8.19 4.88 0.00 3.90 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 12 L 8.50 4.07 0.00 1.64 1.79 0.91 0.97 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 13 D 7.88 4.75 0.00 2.56 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 7.42 3.43 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 -0.45 0.00 0.00 15 W 7.60 4.53 0.00 3.42 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 16 A 7.89 4.20 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 17 I 8.07 4.51 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.68 0.94 0.00 0.00 18 T 8.78 4.26 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 1.19 0.00 0.00 19 V 8.17 3.53 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 1.02 0.00 0.00 0.92 0.00 0.00 20 E 8.09 3.93 0.00 2.06 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 2.36 2.40 0.00 21 E 8.26 3.82 0.00 2.23 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 2.30 2.29 0.00 22 R 8.18 3.83 0.00 1.91 2.05 0.00 3.24 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 23 A 8.10 4.01 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 24 K 8.02 3.97 0.00 2.00 1.94 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.67 7.81 25 H 8.48 4.53 0.00 3.43 3.55 0.00 5.64 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 26 D 8.66 4.58 0.00 2.88 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 27 Q 8.21 4.08 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 28 Q 8.16 4.10 0.00 2.63 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.95 0.00 0.00 0.00 0.00 0.00 2.74 2.83 0.00 29 F 8.71 3.38 0.00 2.70 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 30 H 8.36 3.95 0.00 3.36 3.44 0.00 5.84 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 31 S 7.54 4.03 0.00 4.02 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 32 L 7.12 3.95 0.00 1.24 1.40 0.41 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.57 3.55 0.00 1.72 1.70 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.42 7.81 34 P 0.00 4.13 0.00 1.75 1.46 0.00 3.29 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.53 0.00 35 I 8.56 4.23 1.91 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 1.27 0.83 0.93 0.00 0.00 36 S 9.87 3.50 0.00 4.13 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 37 G 8.66 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 0.00 0.00 0.00 38 F 8.13 5.17 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 39 I 8.43 4.77 1.99 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 1.82 0.89 0.59 0.00 0.00 40 T 8.21 4.32 4.28 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 1.21 0.00 0.00 41 G 8.20 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 0.00 0.00 0.00 42 D 7.81 4.14 0.00 2.79 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 43 Q 8.03 3.85 0.00 2.13 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 44 A 8.06 3.80 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 45 R 7.96 3.90 0.00 1.67 1.83 0.00 2.86 0.00 0.00 2.50 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.24 0.00 46 N 8.12 4.46 0.00 2.85 2.95 0.00 0.00 6.98 7.76 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 47 F 8.24 4.44 0.00 3.11 3.12 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 0.00 0.00 0.00 48 F 8.26 4.52 0.00 3.27 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 49 F 8.42 4.73 0.00 3.43 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 50 Q 7.86 4.23 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 51 S 8.07 4.27 0.00 4.01 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 0.00 52 G 7.77 3.95 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 0.00 0.00 0.00 53 L 7.29 4.26 0.00 1.76 1.67 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.46 0.00 2.20 2.03 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 55 Q 8.94 3.96 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.15 1.98 0.00 56 P 0.00 4.25 0.00 2.22 2.10 0.00 3.63 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 57 V 7.77 3.62 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 1.10 0.00 0.00 0.96 0.00 0.00 58 L 8.21 4.06 0.00 1.89 1.83 1.19 0.92 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 59 A 8.38 4.11 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 60 Q 8.07 3.96 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 61 I 7.97 3.65 1.97 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 1.36 0.57 0.67 0.00 0.00 62 W 8.67 4.24 0.00 3.66 3.40 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 63 A 7.90 3.81 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 64 L 7.83 3.97 0.00 1.73 1.66 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.69 4.00 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 66 D 7.06 3.97 0.00 1.58 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 0.00 0.00 0.00 *68 N 8.54 4.65 0.00 2.95 3.09 0.00 0.00 6.15 6.96 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 69 N 8.14 4.49 0.00 2.91 2.96 0.00 0.00 6.86 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 70 D 8.05 4.60 0.00 2.84 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 71 G 9.33 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 0.00 0.00 0.00 72 R 8.03 5.19 0.00 2.22 1.89 0.00 2.47 0.00 0.00 3.01 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 *74 D 8.23 4.78 0.00 2.59 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 75 Q 7.98 2.52 0.00 1.77 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.16 0.00 76 V 7.52 3.49 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 0.98 0.00 0.00 0.87 0.00 0.00 77 E 8.50 3.92 0.00 2.20 2.01 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 2.38 2.42 0.00 78 F 8.10 4.24 0.00 2.96 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 79 S 7.90 4.13 0.00 4.00 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 80 I 7.66 3.82 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.69 0.83 0.00 0.00 81 A 7.67 3.84 0.93 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 *83 K 8.02 4.11 0.00 1.87 1.97 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.50 7.81 84 L 7.86 3.98 0.00 1.75 1.64 0.84 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 85 I 7.84 3.60 1.70 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.54 0.85 0.00 0.00 86 K 7.89 3.91 0.00 1.81 1.92 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.55 7.81 87 L 8.01 4.04 0.00 1.87 1.68 0.78 -0.19 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 88 K 8.36 4.21 0.00 1.98 1.94 0.00 1.61 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.55 7.81 89 L 8.08 4.05 0.00 1.82 1.74 0.92 1.10 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 90 Q 7.99 4.28 0.00 2.45 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.63 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 91 G 7.91 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 92 Y 7.58 4.18 0.00 3.12 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 93 Q 8.49 4.39 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 94 L 8.27 4.33 0.00 1.67 1.63 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.59 0.00 2.29 1.90 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.89 0.00 96 S 8.43 4.26 0.00 3.98 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 97 A 7.32 4.57 1.14 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 0.00 0.00 0.00 0.00 0.00 98 L 8.27 3.92 0.00 1.52 1.54 0.86 0.88 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 99 P 0.00 4.12 0.00 2.04 1.48 0.00 3.56 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 1.68 1.57 0.00 100 P 0.00 4.47 0.00 1.98 2.08 0.00 3.54 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 101 V 6.81 3.83 2.10 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 0.78 0.00 0.00 0.97 0.00 0.00 *103 K 8.05 4.05 0.00 1.87 1.78 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.