NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5056 8.1633 118.7915 54.4517 34.3986 177.3264 2 I 3.6382 8.0338 118.7663 64.8306 37.0853 177.1167 3 N 4.4779 8.4287 121.1485 58.0484 37.7896 179.0461 4 E 4.2184 8.0863 119.8931 61.0874 29.9227 181.4216 5 I 3.9042 7.9184 121.1402 64.2680 37.1804 178.8013 6 K 4.0237 8.1737 119.2917 59.0908 31.7840 179.4247 7 K 3.8938 8.1563 119.9748 59.6095 32.1914 178.3130 8 D 4.2939 8.4346 118.4439 57.2453 41.0343 178.1473 9 A 3.9446 8.0185 121.2286 55.1780 18.3557 179.3089 10 Q 3.8917 8.0349 118.0886 59.4523 29.0454 178.4348 11 E 3.9574 8.3608 119.5927 59.5673 29.4611 179.6414 12 R 3.9241 8.4659 118.5181 59.4049 30.0964 179.1158 13 M 4.0513 8.2615 118.6480 58.4578 32.0019 178.4828 14 D 4.4291 8.5390 121.8359 57.8764 41.0019 179.5280 15 K 3.9672 8.2880 124.3423 60.0799 31.6600 181.2002 16 S 4.3397 8.1825 116.6328 61.3745 62.7293 177.0782 17 V 3.5848 7.8653 121.0235 65.8963 31.2100 177.7464 18 E 3.9281 8.3230 118.9516 59.1019 29.4588 178.6252 19 A 3.9506 8.0981 120.9016 54.9276 18.4146 179.1633 20 L 3.8642 8.0077 118.8456 58.3689 42.1424 179.3932 21 K 3.9387 8.0327 118.1434 59.4974 31.7788 178.7385 22 N 4.2577 8.0621 115.5440 56.7836 38.9284 176.8431 23 N 4.4881 8.5984 117.7970 56.3871 38.5886 177.6050 24 L 4.0616 8.4461 121.0804 57.6057 41.4523 179.6022 25 S 4.1529 7.9301 113.4350 61.0848 62.8571 176.3324 26 K 4.3309 7.8457 121.0897 57.2665 31.9064 176.9561 27 V 4.0257 7.4478 119.6059 61.8103 31.0777 175.0029 28 R 4.6750 7.9216 122.3919 55.1615 31.7886 175.3563 29 T 3.9038 8.4349 109.3516 62.7251 69.2297 175.9182 30 G 3.7844 8.1595 109.0224 45.8228 0.0000 173.2550 31 G 3.9493 7.8686 107.5985 43.9808 0.0000 174.3445 32 G 4.3616 7.5625 109.9834 44.6107 0.0000 172.5136 33 G 4.1615 7.9435 112.9853 44.1325 0.0000 173.3497 34 T 3.9677 7.2870 112.1424 61.1527 70.7179 174.9061 35 E 3.9038 8.6512 121.8527 59.6150 29.5813 178.8969 36 E 3.9556 8.0431 117.8938 59.6387 29.7779 179.4867 37 R 4.2312 7.9531 119.3033 58.7316 30.0569 179.3813 38 R 4.0337 8.1439 118.0266 58.9768 30.0460 179.1692 39 K 4.0495 8.1234 118.5045 59.2646 32.0415 178.9375 40 D 4.3916 8.1030 119.4417 57.5505 40.7293 178.9845 41 L 4.1146 7.4779 118.4521 57.6056 41.6151 179.5124 42 V 3.6603 7.9189 120.8088 66.6510 31.4725 178.9311 43 K 4.0396 8.2000 123.3759 59.6105 31.5012 181.4129 44 I 3.8886 7.4485 119.9645 64.6101 37.0268 179.1114 45 V 3.7120 7.8101 113.0490 64.1766 31.2667 178.9048 46 R 4.0057 8.2501 118.4032 59.0528 29.8726 179.1636 47 G 3.6190 8.0025 105.2989 47.9677 0.0000 175.6124 48 E 3.9751 8.2126 121.1062 58.8650 29.3871 179.2481 49 A 3.9704 8.2593 121.1166 55.2402 18.3911 179.3371 50 E 3.9466 8.2783 117.9530 59.1240 29.6763 178.9392 51 G 3.8768 8.2890 106.1277 47.9624 0.0000 175.6544 52 G 3.6690 8.3038 108.6575 47.5091 0.0000 175.7921 53 R 3.9004 8.1414 120.8792 58.9305 30.0617 179.1792 54 V 3.5459 8.1229 118.0131 65.9815 31.4313 177.8511 55 A 3.9561 8.0754 120.3124 55.1847 18.2089 179.7171 56 V 3.5065 7.9586 116.8538 66.3650 31.6407 178.5070 57 R 3.9025 8.3142 118.1088 59.0257 29.7546 178.5677 58 N 4.2794 8.5658 117.3746 56.6856 38.9867 176.7948 59 I 3.6487 7.9239 121.0493 64.5702 37.1890 178.1725 60 A 3.9913 8.1403 121.4428 55.1183 18.1170 179.7634 61 R 3.7960 8.0788 117.1044 59.6218 30.1559 178.2295 62 D 4.3604 8.3007 118.7253 57.4353 40.7739 178.7351 63 A 3.9632 8.1124 120.7007 55.2718 18.3975 179.4784 64 A 3.9466 8.1941 119.3057 55.5257 18.4538 179.6784 65 N 4.3849 8.3688 114.9695 56.5065 38.3771 177.4476 66 D 4.4079 8.2837 119.9257 57.1314 41.1864 178.6628 67 L 4.1078 8.2013 119.5722 57.8688 41.6601 179.2526 68 A 4.0176 8.4659 120.8757 55.2650 17.8057 179.4858 69 A 3.9408 8.1606 119.0409 55.1738 18.3258 179.7086 70 L 4.1238 7.9820 117.3532 57.1236 41.3328 179.4021 71 G 3.8985 7.9460 106.2049 47.7544 0.0000 174.9105 72 K 3.9140 7.6181 118.2367 58.5095 32.8503 176.1168 73 D 4.6691 8.2123 120.8685 52.4271 40.9049 176.9768 74 K 4.0836 8.7171 129.6822 59.7329 32.3552 179.2843 75 E 4.0646 8.3892 114.6398 58.1576 29.8401 182.2634 76 V 3.8189 7.4140 118.3534 62.4497 32.2983 175.9096 77 N 4.2685 8.3025 125.3288 52.2564 39.9425 175.9553 78 W 4.3204 8.8315 122.9237 59.9749 27.8800 178.5231 79 F 3.1249 5.8238 114.4372 59.1121 37.2986 177.2506 80 D 4.2679 6.9837 119.0569 56.9908 40.5525 178.5992 81 I 3.7214 7.4374 120.0234 64.3650 37.1530 178.5278 82 S 4.2070 8.2349 116.1455 61.6636 62.6534 176.5991 83 Q 3.9182 8.2922 122.0198 59.1923 28.8308 178.0478 84 A 4.0596 8.1810 121.8237 55.3076 18.3878 179.6140 85 L 3.9982 8.3241 117.6603 57.6104 41.6897 179.5162 86 W 4.3877 8.2486 129.6879 60.0531 30.5878 177.9089 87 E 4.1019 8.7310 118.6920 59.4573 28.9129 179.3397 88 I 3.6753 7.9765 119.8771 64.4859 36.8414 178.4027 89 Q 3.8948 7.9392 118.8023 58.7793 28.4902 178.8436 90 K 3.6687 7.6100 120.4474 59.3325 32.1012 178.6978 91 L 3.9273 7.9565 119.2463 58.1090 41.5249 179.5860 92 T 3.8092 7.8731 115.4346 66.7915 68.4114 176.1864 93 D 4.3103 8.0258 120.6206 57.4888 40.8491 179.2729 94 V 3.5203 7.9004 118.3067 65.8304 31.4890 177.9325 95 A 3.9360 8.1193 120.6194 55.1890 18.1779 179.7631 96 V 3.4876 8.1334 117.2202 65.9533 31.6007 177.9740 97 K 3.8432 8.0030 119.4178 59.4125 31.9765 178.6458 98 K 3.9261 8.0513 119.7314 59.5924 32.1075 178.7577 99 I 3.7127 7.8952 120.1726 64.5808 37.0213 178.0945 100 D 4.3460 8.4050 119.9055 57.5094 40.6369 178.8222 101 E 3.9889 8.2448 119.0612 59.3081 29.4014 179.5449 102 V 3.5906 8.2833 118.8248 65.8375 31.4818 177.9195 103 L 3.9217 8.2214 120.1154 58.0314 41.9558 178.7917 104 A 3.9558 8.1057 120.6147 55.0528 18.2912 179.5302 105 A 3.9273 8.0422 119.3929 55.0281 18.4449 179.7591 106 K 3.8550 8.2361 118.2722 59.7515 32.2947 178.8435 107 E 3.9533 8.4360 119.1084 59.3117 29.3916 179.2585 108 K 3.9234 8.0414 119.6411 59.4489 32.0131 178.4442 109 E 3.9655 7.9693 118.6477 59.3450 29.6479 178.5412 110 L 4.1299 7.8296 118.0541 57.7782 41.7402 178.7755 111 M 4.2659 7.9684 117.5193 56.2044 32.5715 176.7479 112 E 4.0522 7.7811 120.2482 55.6659 30.3282 175.8475 113 V 4.1505 8.3192 126.2426 61.8276 32.5441 174.8938 114 L 4.8067 7.9740 126.3036 52.4838 44.4611 177.1050 115 E 4.0471 8.8741 120.5828 59.9801 29.4238 178.3951 116 H 4.4801 8.0920 111.4175 57.1377 29.2460 175.1642 117 H 4.6879 7.7472 120.2998 56.4172 29.4518 175.6288 *118 H 4.3002 8.8165 120.7677 55.7864 28.1636 175.7478 119 H 5.0748 8.6296 120.3992 53.8754 30.9925 175.1113 120 H 4.4457 8.5403 116.1762 56.1908 29.5032 173.7178 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 M 8.16 4.51 0.00 1.96 2.14 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.14 0.00 2 I 8.03 3.64 1.85 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 1.48 0.81 0.91 0.00 0.00 3 N 8.43 4.48 0.00 2.73 2.83 0.00 0.00 6.95 7.66 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 4 E 8.09 4.22 0.00 1.97 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 2.31 1.97 0.00 5 I 7.92 3.90 2.02 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 1.52 0.47 0.92 0.00 0.00 6 K 8.17 4.02 0.00 1.96 1.87 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.66 7.81 7 K 8.16 3.89 0.00 1.90 2.02 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 8 D 8.43 4.29 0.00 2.81 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 9 A 8.02 3.94 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 10 Q 8.03 3.89 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 11 E 8.36 3.96 0.00 2.18 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 2.33 2.44 0.00 12 R 8.47 3.92 0.00 1.81 1.97 0.00 3.30 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 13 M 8.26 4.05 0.00 2.05 2.15 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 2.75 2.56 0.00 14 D 8.54 4.43 0.00 2.85 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 15 K 8.29 3.97 0.00 1.75 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.36 7.81 16 S 8.18 4.34 0.00 3.99 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 17 V 7.87 3.58 2.20 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 0.99 0.00 0.00 0.96 0.00 0.00 18 E 8.32 3.93 0.00 2.18 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 0.00 2.30 2.20 0.00 19 A 8.10 3.95 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 20 L 8.01 3.86 0.00 1.85 1.91 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.03 3.94 0.00 2.02 1.84 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.67 7.81 22 N 8.06 4.26 0.00 2.89 2.90 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 23 N 8.60 4.49 0.00 2.82 2.99 0.00 0.00 7.13 6.63 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 24 L 8.45 4.06 0.00 1.65 1.71 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.93 4.15 0.00 4.04 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 26 K 7.85 4.33 0.00 1.94 1.91 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.44 7.81 27 V 7.45 4.03 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 0.78 0.00 0.00 0.96 0.00 0.00 28 R 7.92 4.68 0.00 1.90 1.83 0.00 3.08 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 29 T 8.43 3.90 4.46 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 1.17 0.00 0.00 30 G 8.16 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 0.00 0.00 0.00 31 G 7.87 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 32 G 7.56 4.36 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 0.00 33 G 7.94 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 0.00 0.00 0.00 0.00 34 T 7.29 3.97 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 1.13 0.00 0.00 35 E 8.65 3.90 0.00 2.04 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 2.37 2.40 0.00 36 E 8.04 3.96 0.00 2.13 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 2.40 1.97 0.00 37 R 7.95 4.23 0.00 1.78 1.94 0.00 3.47 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 38 R 8.14 4.03 0.00 2.00 2.05 0.00 3.18 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 39 K 8.12 4.05 0.00 2.01 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.61 7.81 40 D 8.10 4.39 0.00 2.89 2.72 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 41 L 7.48 4.11 0.00 1.94 1.70 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.92 3.66 2.21 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 0.98 0.00 0.00 0.96 0.00 0.00 43 K 8.20 4.04 0.00 1.82 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.35 7.81 44 I 7.45 3.89 2.02 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 0.60 0.91 0.00 0.00 45 V 7.81 3.71 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 0.85 0.00 0.00 0.98 0.00 0.00 46 R 8.25 4.01 0.00 2.08 1.97 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 47 G 8.00 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 48 E 8.21 3.98 0.00 2.17 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 2.32 2.58 0.00 49 A 8.26 3.97 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 50 E 8.28 3.95 0.00 2.11 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 0.00 2.30 2.36 0.00 51 G 8.29 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 0.00 0.00 0.00 52 G 8.30 3.67 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 0.00 53 R 8.14 3.90 0.00 2.02 1.99 0.00 3.34 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 1.64 1.85 0.00 54 V 8.12 3.55 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 1.06 0.00 0.00 1.00 0.00 0.00 55 A 8.08 3.96 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 56 V 7.96 3.51 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 0.92 0.00 0.00 57 R 8.31 3.90 0.00 2.08 1.95 0.00 3.17 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 58 N 8.57 4.28 0.00 2.84 3.04 0.00 0.00 7.17 7.29 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 59 I 7.92 3.65 2.04 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 1.45 0.62 0.90 0.00 0.00 60 A 8.14 3.99 1.34 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 0.00 0.00 61 R 8.08 3.80 0.00 1.99 2.10 0.00 3.11 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 1.62 1.67 0.00 62 D 8.30 4.36 0.00 2.88 2.72 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 63 A 8.11 3.96 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 64 A 8.19 3.95 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 65 N 8.37 4.38 0.00 2.97 2.88 0.00 0.00 7.04 7.69 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 66 D 8.28 4.41 0.00 2.79 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 67 L 8.20 4.11 0.00 1.90 1.73 0.95 1.29 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 68 A 8.47 4.02 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 69 A 8.16 3.94 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.98 4.12 0.00 1.86 1.72 0.91 0.79 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 71 G 7.95 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 72 K 7.62 3.91 0.00 1.89 1.97 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.66 1.39 7.81 73 D 8.21 4.67 0.00 2.66 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 74 K 8.72 4.08 0.00 1.77 1.87 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.50 7.81 75 E 8.39 4.06 0.00 1.99 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 2.26 2.12 0.00 76 V 7.41 3.82 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 0.84 0.00 0.00 0.95 0.00 0.00 77 N 8.30 4.27 0.00 1.78 1.42 0.00 0.00 6.86 7.68 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 78 W 8.83 4.32 0.00 3.62 3.34 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 79 F 5.82 3.12 0.00 2.47 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 80 D 6.98 4.27 0.00 2.59 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 81 I 7.44 3.72 2.06 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 0.74 0.96 0.00 0.00 82 S 8.23 4.21 0.00 4.07 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 83 Q 8.29 3.92 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 84 A 8.18 4.06 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 85 L 8.32 4.00 0.00 1.94 1.80 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 86 W 8.25 4.39 0.00 3.53 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 87 E 8.73 4.10 0.00 2.26 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 0.00 2.80 2.65 0.00 88 I 7.98 3.68 2.01 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 1.79 1.08 0.95 0.00 0.00 89 Q 7.94 3.89 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 90 K 7.61 3.67 0.00 1.10 1.73 0.00 1.46 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.27 7.81 91 L 7.96 3.93 0.00 1.90 1.67 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 92 T 7.87 3.81 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 1.18 0.00 0.00 93 D 8.03 4.31 0.00 2.75 2.65 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 0.00 0.00 0.00 0.00 94 V 7.90 3.52 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 0.99 0.00 0.00 0.95 0.00 0.00 95 A 8.12 3.94 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 96 V 8.13 3.49 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 1.06 0.00 0.00 0.91 0.00 0.00 97 K 8.00 3.84 0.00 2.02 1.93 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 98 K 8.05 3.93 0.00 2.05 1.94 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.43 1.35 7.81 99 I 7.90 3.71 2.01 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 1.51 0.53 0.95 0.00 0.00 100 D 8.41 4.35 0.00 2.87 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 0.00 101 E 8.24 3.99 0.00 2.18 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 2.32 2.50 0.00 102 V 8.28 3.59 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 1.07 0.00 0.00 0.96 0.00 0.00 103 L 8.22 3.92 0.00 1.83 1.85 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.11 3.96 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 0.00 105 A 8.04 3.93 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 0.00 106 K 8.24 3.86 0.00 1.97 1.96 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.53 7.81 107 E 8.44 3.95 0.00 2.18 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 2.33 2.52 0.00 108 K 8.04 3.92 0.00 1.85 1.98 0.00 1.64 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 109 E 7.97 3.97 0.00 2.03 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 2.34 2.37 0.00 110 L 7.83 4.13 0.00 1.81 1.70 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 111 M 7.97 4.27 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.81 0.00 112 E 7.78 4.05 0.00 2.05 1.90 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 2.33 2.25 0.00 113 V 8.32 4.15 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 0.84 0.00 0.00 0.94 0.00 0.00 114 L 7.97 4.81 0.00 1.18 1.45 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.87 4.05 0.00 1.99 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 2.35 2.34 0.00 116 H 8.09 4.48 0.00 3.28 3.40 0.00 5.53 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 7.75 4.69 0.00 3.21 3.33 0.00 5.68 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *118 H 8.82 4.30 0.00 2.69 2.87 0.00 7.19 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 H 8.63 5.07 0.00 3.00 3.24 0.00 5.63 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 0.00 120 H 8.54 4.45 0.00 3.09 3.16 0.00 5.73 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 * Residues marked with a * may have inaccurate shift predictions.