NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 4.0469 8.3549 108.0243 45.8086 0.0000 174.0359 3 K 4.1325 8.1696 119.2615 54.9536 33.7900 171.9710 4 V 4.6967 8.9821 124.0506 61.1948 34.5457 173.9898 5 F 5.0531 9.4442 128.3277 56.8525 40.6571 174.7443 6 L 5.2313 9.0081 126.1848 54.1411 43.4436 175.3587 7 T 5.2139 9.2893 116.2589 59.9597 72.8373 173.9379 8 N 5.0965 8.9727 116.2712 51.5979 37.7429 174.2405 9 A 4.6027 7.5509 119.0190 51.5545 21.9148 175.7172 10 F 4.8825 8.6055 122.3050 56.3009 41.6782 174.9036 11 S 4.2590 6.6999 120.2593 56.1086 65.3913 173.6322 12 I 3.7605 8.2139 126.9840 64.6713 37.3634 177.3820 13 N 4.4912 7.4392 118.9994 52.7130 37.1695 175.3161 *15 L 4.0725 7.5527 116.3092 54.6450 43.4338 177.9323 16 K 4.0728 8.6651 123.0995 58.8023 32.4239 177.1623 17 E 4.6831 7.4241 115.2642 54.2788 32.8155 175.2085 18 F 4.9473 8.3280 119.0904 54.8157 42.8239 173.3543 19 P 4.7216 0.0000 0.0000 63.1730 32.0220 175.4523 20 T 4.6993 8.1547 112.4917 60.8353 70.6625 172.8432 21 T 4.7956 8.4650 122.3563 61.6406 71.6310 172.9269 22 I 4.6512 8.2750 119.0661 59.2749 40.8148 174.6604 23 T 4.1965 8.1193 121.2374 61.7841 70.6971 173.5606 24 I 4.7299 7.7706 125.5246 59.4517 39.9751 174.2903 25 D 5.1674 9.0895 126.0072 52.1896 44.9138 174.3018 26 K 4.6650 8.7327 123.8251 55.6430 33.2301 175.6744 27 L 5.0069 8.6068 127.3170 53.0187 44.3445 176.1532 28 D 5.0589 8.3808 120.7667 51.4779 41.3326 177.1494 29 E 3.2975 8.3566 118.3648 59.5360 29.1384 179.2836 30 E 3.8631 7.9579 118.2832 59.5125 29.6596 178.5065 31 D 4.2521 8.6098 119.0740 57.0482 40.7854 178.1698 32 F 4.0253 8.1639 121.3655 61.8164 39.1698 176.7414 33 C 3.9383 8.0970 115.6705 59.7662 41.0494 176.1710 34 L 3.8399 8.0055 120.7925 57.6922 41.2194 179.7086 35 K 3.8397 8.0995 118.6500 59.1146 31.8499 178.9966 36 L 3.6891 7.7039 120.8571 58.3133 41.9053 178.9252 37 E 3.8536 8.2627 118.6951 59.2253 29.2668 179.2061 38 L 3.8695 7.9668 120.3861 58.3334 42.3408 179.3321 39 R 4.0934 7.9027 117.8001 58.6958 30.0333 178.9993 40 L 3.9217 8.0887 119.4713 57.8763 41.4499 179.1586 41 E 3.9712 8.1153 118.0594 58.6809 29.6556 177.4922 42 D 4.7147 8.1215 116.5834 52.6212 39.8681 176.9141 43 G 3.8622 7.5356 107.4219 46.7830 0.0000 174.5228 44 T 4.3207 7.8685 109.4560 61.2917 70.4479 173.9972 45 L 4.6207 7.6868 125.6327 54.9742 42.9266 175.8430 46 I 4.3697 8.4886 127.8037 59.4511 39.3761 174.3072 47 N 4.8417 8.8945 126.8188 52.8187 39.3890 174.2613 48 A 4.9413 8.8973 127.9704 51.7747 20.5980 175.5226 49 I 4.0063 8.2966 120.9746 61.9107 38.0025 176.7998 50 G 4.0325 8.7226 115.2859 45.4225 0.0000 172.7892 51 H 4.9668 7.6821 116.6798 53.2207 33.0641 174.2168 52 D 4.4539 8.7744 125.0974 57.2283 40.6592 178.9533 53 S 4.1226 8.1682 114.5397 62.0157 62.7503 176.7744 54 T 3.9679 7.8949 118.7941 66.0676 68.2606 176.4742 55 I 3.7530 7.8450 121.8352 64.8751 37.2366 178.1252 56 N 4.3487 8.8973 117.2864 56.1156 38.2370 177.3177 57 L 3.9753 7.7702 121.8547 58.2376 42.1816 179.2001 58 V 3.7460 8.1045 118.3491 66.2181 31.3909 177.7703 59 N 4.5538 8.5036 117.8950 55.9394 38.1256 177.6646 60 T 3.8625 7.8758 116.3858 66.5757 68.6809 176.2307 61 L 4.3606 8.0562 122.5390 57.2645 42.2675 177.4306 62 C 4.7977 8.5401 113.8562 55.9051 41.3662 174.8562 63 G 3.8254 8.1174 108.6868 45.9911 0.0000 173.7027 64 T 4.3862 7.4979 110.3711 60.6280 70.6412 173.9811 65 Q 4.7323 7.9968 117.7389 55.2057 29.4991 176.1333 66 L 4.2245 7.3999 117.2932 54.9424 42.6145 177.1196 67 Q 4.7067 8.1196 118.9411 53.1852 32.1862 175.3064 68 K 3.9928 8.5762 120.3042 57.6751 32.5719 175.5413 69 N 4.8334 8.9349 125.8102 52.3203 41.6727 173.7760 70 R 4.3961 8.6669 126.4688 55.4711 30.9684 176.3842 71 V 4.4353 8.1453 123.5417 60.8464 34.7631 174.3775 72 E 3.9880 8.9110 128.8552 55.7004 29.5365 175.8953 73 V 3.4233 8.0772 127.1043 61.7560 31.9633 174.8886 74 K 4.3699 7.5455 125.4389 54.7679 36.2677 174.3727 *76 N 4.5227 8.2273 116.0620 53.0755 39.5049 175.3438 77 E 3.4465 8.6710 119.3909 59.0648 29.3558 177.4921 78 G 3.9330 8.0292 105.5025 45.7364 0.0000 172.3432 79 D 5.2627 7.7753 119.8010 52.9397 43.4577 175.0361 80 E 5.1715 9.1726 117.2816 55.4222 33.9311 173.6098 81 A 5.4480 9.4111 120.7222 50.3446 23.0218 174.8849 82 L 5.3440 9.6657 121.6654 53.1914 44.4134 175.7240 83 I 5.2260 9.2232 124.0627 59.9068 41.1394 174.8888 84 I 5.0827 8.2880 127.1671 58.4926 41.4123 173.3190 *86 I 4.3448 8.1586 121.9562 61.3952 37.5538 176.4603 87 S 4.4428 9.2305 123.3484 59.9265 64.1548 173.9087 88 Q 4.9668 7.7884 116.7914 53.5207 31.4920 174.5840 89 R 4.0972 8.2402 118.5245 55.7345 30.7195 176.0014 90 L 4.1745 8.2316 124.9926 54.2954 42.6528 176.3829 91 E 4.1167 8.6123 123.9110 55.6079 30.2714 175.8272 92 E 4.1063 8.6525 124.7943 57.3433 30.4134 177.1778 93 G 3.8761 8.8619 109.3782 45.5260 0.0000 172.6392 94 K 4.3958 7.3999 119.4649 54.2819 33.5740 175.6853 95 V 4.0054 8.2143 126.1322 61.5732 31.9183 175.1909 96 L 4.4545 8.4185 128.4380 54.1739 42.3679 177.8627 97 S 4.4037 9.2255 119.6600 57.9787 64.6068 174.8471 98 D 4.3513 8.6051 121.6269 57.3044 40.8840 178.3255 99 K 3.9394 8.0480 119.6528 59.6671 32.0457 178.3282 100 E 4.1432 8.0337 117.3061 59.5812 29.4452 179.2016 101 I 3.9194 7.6570 118.6569 64.4296 37.5089 178.3938 102 K 4.6561 8.2032 120.6724 58.8508 31.8035 179.4065 103 D 4.4554 8.3528 116.5036 55.4074 40.6650 177.6555 *105 Y 4.6494 7.7981 122.4193 57.7938 40.5207 177.1480 106 R 3.7990 8.4994 117.6957 59.5341 30.1406 177.7316 107 Q 4.0651 8.0116 113.5169 55.9657 28.8382 176.6128 108 G 3.7475 7.6511 106.1069 46.2230 0.0000 175.0322 109 K 4.5242 7.6572 119.2810 56.3384 32.7887 176.3926 110 I 4.7779 7.4311 118.5549 59.4144 40.0453 174.9916 111 S 4.5691 8.1767 120.3923 56.6672 67.7164 172.7308 112 F 5.1273 8.0604 118.8860 56.1306 42.8102 173.7145 113 Y 5.3828 9.3057 118.5729 56.4804 43.0996 173.6028 114 E 5.3330 9.5197 121.3549 54.5907 33.3025 174.5808 115 V 4.9598 9.2279 126.4597 60.8726 34.4827 174.2946 116 W 5.6845 8.5842 123.8582 55.1608 32.4107 173.4509 117 H 5.0784 9.0535 119.6581 55.1743 29.3090 176.2743 *118 H 4.5061 8.6596 118.2820 54.8300 28.5574 170.7610 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 2 G 8.35 4.05 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 0.00 0.00 0.00 3 K 8.17 4.13 0.00 1.56 1.04 0.00 1.64 0.00 0.00 1.41 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.36 7.81 4 V 8.98 4.70 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 1.08 0.00 0.00 0.88 0.00 0.00 5 F 9.44 5.05 0.00 3.11 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 6 L 9.01 5.23 0.00 1.84 1.64 1.24 0.68 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 7 T 9.29 5.21 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 1.33 0.00 0.00 8 N 8.97 5.10 0.00 2.90 3.02 0.00 0.00 6.15 7.26 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 9 A 7.55 4.60 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 10 F 8.61 4.88 0.00 2.98 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 11 S 6.70 4.26 0.00 3.60 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 12 I 8.21 3.76 1.83 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 0.66 0.98 0.00 0.00 13 N 7.44 4.49 0.00 2.65 2.78 0.00 0.00 7.02 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 *15 L 7.55 4.07 0.00 1.47 1.36 1.19 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.67 4.07 0.00 1.67 1.79 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.43 7.81 17 E 7.42 4.68 0.00 1.77 1.74 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 2.11 2.18 0.00 18 F 8.33 4.95 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 19 P 0.00 4.72 0.00 2.23 2.12 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 20 T 8.15 4.70 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 1.21 0.00 0.00 21 T 8.46 4.80 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 1.18 0.00 0.00 22 I 8.27 4.65 1.62 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 1.22 0.42 0.70 0.00 0.00 23 T 8.12 4.20 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 0.65 0.00 0.00 24 I 7.77 4.73 1.68 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.25 0.80 0.00 0.00 25 D 9.09 5.17 0.00 3.06 2.77 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 0.00 0.00 0.00 0.00 26 K 8.73 4.66 0.00 1.90 1.72 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.11 1.28 7.81 27 L 8.61 5.01 0.00 1.66 1.64 1.18 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.38 5.06 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 29 E 8.36 3.30 0.00 1.73 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 2.06 1.47 0.00 30 E 7.96 3.86 0.00 1.97 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 2.36 0.00 31 D 8.61 4.25 0.00 2.77 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 32 F 8.16 4.03 0.00 2.69 2.67 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 33 C 8.10 3.94 0.00 3.06 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 34 L 8.01 3.84 0.00 1.59 1.63 0.87 1.19 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 35 K 8.10 3.84 0.00 1.83 1.75 0.00 1.74 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.46 7.81 36 L 7.70 3.69 0.00 1.30 1.53 0.72 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.26 3.85 0.00 2.07 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 2.26 2.30 0.00 38 L 7.97 3.87 0.00 1.87 1.74 0.87 0.77 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 39 R 7.90 4.09 0.00 1.81 1.88 0.00 3.28 0.00 0.00 3.10 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 40 L 8.09 3.92 0.00 1.77 1.67 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.12 3.97 0.00 1.96 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 2.32 0.00 42 D 8.12 4.71 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 43 G 7.54 3.86 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 0.00 44 T 7.87 4.32 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 1.19 0.00 0.00 45 L 7.69 4.62 0.00 1.71 1.56 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.49 4.37 1.60 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.25 1.05 0.00 0.00 47 N 8.89 4.84 0.00 2.75 2.76 0.00 0.00 6.98 7.96 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 48 A 8.90 4.94 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 49 I 8.30 4.01 2.05 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.97 1.02 0.00 0.00 50 G 8.72 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 51 H 7.68 4.97 0.00 3.23 3.19 0.00 5.82 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.77 4.45 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 53 S 8.17 4.12 0.00 4.06 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 54 T 7.89 3.97 4.45 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 1.30 0.00 0.00 55 I 7.85 3.75 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.09 1.01 0.00 0.00 56 N 8.90 4.35 0.00 2.86 2.90 0.00 0.00 6.75 7.40 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 57 L 7.77 3.98 0.00 1.81 1.92 0.95 0.99 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 58 V 8.10 3.75 2.31 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 1.24 0.00 0.00 1.19 0.00 0.00 59 N 8.50 4.55 0.00 2.96 2.94 0.00 0.00 6.62 7.59 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 60 T 7.88 3.86 4.42 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 1.23 0.00 0.00 61 L 8.06 4.36 0.00 1.75 1.78 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 62 C 8.54 4.80 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 63 G 8.12 3.83 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 0.00 0.00 0.00 64 T 7.50 4.39 4.23 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 1.16 0.00 0.00 65 Q 8.00 4.73 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.05 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 66 L 7.40 4.22 0.00 1.82 1.63 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.12 4.71 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 68 K 8.58 3.99 0.00 1.99 1.77 0.00 1.88 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 69 N 8.93 4.83 0.00 2.73 2.84 0.00 0.00 7.26 7.27 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 70 R 8.67 4.40 0.00 1.74 1.87 0.00 3.20 0.00 0.00 3.13 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 71 V 8.15 4.44 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 0.90 0.00 0.00 1.00 0.00 0.00 72 E 8.91 3.99 0.00 1.95 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 2.25 2.24 0.00 73 V 8.08 3.42 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 0.12 0.00 0.00 0.79 0.00 0.00 74 K 7.55 4.37 0.00 1.68 1.64 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.25 1.34 7.81 *76 N 8.23 4.52 0.00 2.94 2.80 0.00 0.00 6.47 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 77 E 8.67 3.45 0.00 1.83 1.93 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 2.27 2.34 0.00 78 G 8.03 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 0.00 0.00 0.00 79 D 7.78 5.26 0.00 2.94 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 80 E 9.17 5.17 0.00 2.47 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 0.00 2.26 2.39 0.00 81 A 9.41 5.45 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 82 L 9.67 5.34 0.00 1.70 1.82 0.77 0.45 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 83 I 9.22 5.23 2.20 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.01 1.15 0.00 0.00 84 I 8.29 5.08 1.90 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.74 1.10 0.00 0.00 *86 I 8.16 4.34 1.86 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 1.34 0.63 1.04 0.00 0.00 87 S 9.23 4.44 0.00 3.86 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 0.00 88 Q 7.79 4.97 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 89 R 8.24 4.10 0.00 1.78 1.86 0.00 3.22 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 90 L 8.23 4.17 0.00 1.68 1.59 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.61 4.12 0.00 2.00 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 0.00 2.38 2.30 0.00 92 E 8.65 4.11 0.00 2.12 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 2.28 2.31 0.00 93 G 8.86 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 94 K 7.40 4.40 0.00 1.93 1.83 0.00 2.00 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.35 7.81 95 V 8.21 4.01 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 0.88 0.00 0.00 0.94 0.00 0.00 96 L 8.42 4.45 0.00 1.70 1.62 0.95 0.98 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 97 S 9.23 4.40 0.00 4.04 4.01 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 0.00 0.00 0.00 98 D 8.61 4.35 0.00 2.82 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 99 K 8.05 3.94 0.00 1.88 1.81 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.56 7.81 100 E 8.03 4.14 0.00 2.19 2.03 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 2.36 2.37 0.00 101 I 7.66 3.92 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.64 1.00 0.00 0.00 102 K 8.20 4.66 0.00 1.98 1.93 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.80 1.40 7.81 103 D 8.35 4.46 0.00 2.86 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 Y 7.80 4.65 0.00 3.12 3.28 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 0.00 106 R 8.50 3.80 0.00 2.09 1.98 0.00 3.24 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 107 Q 8.01 4.07 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.37 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 108 G 7.65 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 0.00 0.00 0.00 109 K 7.66 4.52 0.00 1.80 1.83 0.00 2.03 0.00 0.00 1.91 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.37 7.81 110 I 7.43 4.78 1.79 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.58 0.29 0.00 0.00 111 S 8.18 4.57 0.00 3.73 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 0.00 112 F 8.06 5.13 0.00 2.86 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 0.00 113 Y 9.31 5.38 0.00 3.03 2.94 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 0.00 114 E 9.52 5.33 0.00 2.24 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 2.58 2.49 0.00 115 V 9.23 4.96 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 0.67 0.00 0.00 0.61 0.00 0.00 116 W 8.58 5.68 0.00 3.42 3.24 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 0.00 117 H 9.05 5.08 0.00 3.24 3.45 0.00 5.98 0.00 0.00 0.00 0.00 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *118 H 8.66 4.51 0.00 2.67 2.88 0.00 5.87 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.