NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4104 8.4045 118.7933 54.4465 32.0709 174.6056 2 R 4.5523 7.8665 124.5310 54.0226 31.3489 172.8301 3 R 4.2244 8.8635 126.3832 56.9106 31.2231 172.3645 *4 Y 5.0969 8.3922 126.8147 57.8265 41.0609 173.2031 5 E 4.8644 8.3977 111.2403 58.4762 34.2308 172.2941 6 V 4.9603 8.3177 126.7318 59.2477 35.7850 171.9133 7 N 5.2386 10.0609 127.2090 51.4456 40.3880 172.4462 8 I 4.9310 8.1515 127.1168 58.5752 39.0057 173.1428 9 V 4.8286 8.5048 125.6133 60.4091 35.2579 176.3718 10 L 4.8730 8.8879 132.3345 52.5457 43.8430 172.8664 11 N 4.7696 8.6469 117.6624 54.3472 38.3632 171.7060 12 P 4.5652 0.0000 0.0000 62.4988 30.5406 173.5996 13 N 5.1626 8.0633 117.4784 53.6781 38.8438 178.7782 14 L 4.7525 8.0038 121.2487 53.6203 43.6876 179.7795 15 D 4.8467 8.4630 127.2451 54.7340 42.1637 176.6237 16 Q 4.4817 8.6615 120.7107 62.0907 27.9092 178.0708 17 S 4.3680 8.0693 120.9483 64.4900 62.6075 181.1038 18 Q 4.3175 8.1350 126.8538 60.4175 27.7714 180.8708 19 L 4.2065 8.4344 124.3196 59.4529 40.9908 181.6422 20 A 4.2976 8.1819 124.3211 55.2437 18.3394 180.5072 21 L 3.9749 7.9535 123.5405 60.2915 40.9797 182.8412 22 E 4.2541 8.2395 122.2130 61.6243 29.5287 181.9065 23 K 4.2396 7.9588 127.3475 60.3213 31.9425 181.5116 24 E 4.2726 8.3913 121.9192 61.1209 29.4592 181.4679 25 I 4.3496 7.7011 120.8734 65.3188 35.8092 183.5156 26 I 4.0214 8.0630 123.8559 65.9128 35.2166 181.7888 27 Q 4.3057 8.2924 124.4734 60.8026 28.2713 180.9870 28 R 4.2080 7.7126 121.1290 61.1845 29.1680 180.4278 29 A 4.2624 8.5137 123.7806 55.8423 18.3243 180.4490 30 L 4.0444 8.0701 122.8634 60.4710 41.1830 182.3316 31 E 4.6871 8.1569 123.1216 60.8571 29.3526 181.0013 32 N 4.9658 7.8614 119.1558 56.8609 37.6523 179.2835 *33 Y 4.7609 7.7920 116.9649 57.0725 38.1724 181.2243 34 G 3.8154 8.0240 107.3278 47.6371 0.0000 173.6091 35 A 4.7175 8.0917 124.8764 50.6276 20.9078 177.2290 36 R 4.7676 8.4382 126.3241 55.5672 31.5419 173.1508 37 V 3.6832 8.6156 127.0918 61.8131 31.2229 172.9001 38 E 4.3439 9.3285 128.6902 57.9972 30.8043 174.7142 39 K 4.4319 7.5621 120.2569 55.8497 35.7367 179.8260 40 V 4.9478 8.5998 123.0263 60.3797 35.8190 175.5721 41 E 4.6827 9.2058 123.8269 55.0460 34.3076 173.8315 42 E 4.5337 8.9137 124.6706 54.6058 29.7250 174.7565 43 L 3.9133 8.7755 127.0919 57.1715 40.6736 175.6203 44 G 3.7710 6.7968 111.9843 44.9294 0.0000 175.2998 45 L 5.1818 8.3594 130.5890 52.3429 43.4742 174.6107 46 R 4.7349 8.3387 129.6481 55.6549 29.4295 174.9323 47 R 4.6393 8.4559 118.3623 56.4439 32.8954 173.6474 48 L 4.2557 8.5191 123.3682 53.1601 41.4836 174.3745 49 A 4.2414 8.5629 124.0292 54.1019 18.8433 178.1259 *50 Y 4.4551 7.2139 115.0982 55.4235 41.2014 178.5740 51 P 4.5443 0.0000 0.0000 61.9868 30.7386 173.7247 52 I 4.1914 8.3648 122.9087 58.8791 36.5124 172.9734 53 A 3.8627 9.4196 130.1288 53.1969 15.9031 177.5126 54 K 3.8197 8.4724 117.8475 57.3381 29.6780 178.0601 55 D 4.8302 8.1741 121.4620 52.1545 42.1036 178.3093 56 P 4.4787 0.0000 0.0000 63.5404 31.1665 173.2693 57 Q 4.9314 7.4765 112.9029 54.0888 32.0879 179.2005 58 G 4.2002 8.0629 103.7866 47.5860 0.0000 172.5060 *59 Y 4.8725 8.3570 123.5086 56.9924 37.0647 175.7624 *60 F 5.1603 8.9464 127.7691 55.7350 40.2461 172.2024 61 L 5.1064 9.3761 125.7534 53.1361 45.5442 175.6682 *62 W 5.1136 8.8351 123.6319 56.5117 31.9078 175.8397 *63 Y 5.1717 8.6905 126.6334 55.6896 41.5768 172.5437 64 Q 4.6426 8.5770 122.1942 55.9534 31.7270 175.6497 65 V 5.3278 8.4330 125.6396 58.1308 36.7718 172.4557 66 E 4.6793 8.6149 118.7530 56.7404 27.6703 175.9941 67 M 5.3604 7.8406 127.7519 52.6201 34.6065 175.5919 68 P 4.3765 0.0000 0.0000 65.0557 30.7613 177.6990 69 E 4.0926 9.1092 122.0542 59.2092 29.8571 177.1014 70 D 4.8910 7.9926 119.1984 53.8006 39.8946 179.9251 71 R 4.6945 7.8715 116.6269 57.2972 32.6323 180.4933 72 V 3.6483 8.0868 122.6511 67.9492 31.4968 182.9372 73 N 4.5775 8.3715 122.1915 57.9800 37.0494 179.3836 74 D 4.6889 7.6052 122.6525 58.9417 40.1532 183.5836 75 L 4.3420 8.1685 122.7618 59.6677 41.1184 182.2359 76 A 4.2704 8.2231 124.1750 55.9489 17.8513 180.4966 77 R 4.0431 7.9326 121.0027 61.9245 29.3488 181.0910 78 E 4.3151 8.1852 118.6837 60.0790 29.8133 181.1379 79 L 4.8075 7.3794 123.0671 59.3922 42.2533 184.3149 80 R 4.5322 8.0240 120.5670 60.0929 29.5175 181.1554 81 I 4.2132 7.7142 121.3171 65.0598 35.9212 182.5297 82 R 4.2954 7.4405 119.9771 57.0404 29.8291 182.9302 83 D 4.2630 8.8040 123.7741 56.2026 40.0234 176.4009 84 N 4.6085 8.3787 120.1516 56.6758 38.8879 179.2801 85 V 3.7936 7.3493 122.1571 62.5062 31.3460 179.1320 86 R 4.1815 9.6488 131.8694 59.4790 30.0827 174.3817 87 R 4.5343 7.5103 118.5042 57.2055 33.5603 177.4598 88 V 5.0073 8.5519 119.1214 61.4463 35.7367 176.2797 89 M 4.9429 9.2376 125.8864 53.5142 35.4469 174.3336 90 V 5.0125 8.6100 123.8079 58.6026 35.5477 172.8871 91 V 4.6137 8.8640 127.6112 60.5550 34.4836 176.7267 92 K 4.2802 9.1147 121.8885 56.4865 34.9199 172.0969 93 S 3.6970 8.5299 125.1974 59.1053 61.4108 175.0905 94 Q 3.1086 8.4600 130.1241 55.1306 27.5462 174.1795 95 E 4.1294 8.8269 116.0519 57.3566 30.0492 174.2789 96 P 4.5164 0.0000 0.0000 61.7606 31.5994 175.4183 *97 F 4.3152 8.4311 120.8223 56.6517 38.7749 170.4558 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 8.40 4.41 0.00 2.05 1.98 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 2.42 2.11 0.00 2 R 7.87 4.55 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 3 R 8.86 4.22 0.00 1.50 1.83 0.00 3.15 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 *4 Y 8.39 5.10 0.00 2.00 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 0.00 0.00 0.00 5 E 8.40 4.86 0.00 1.59 1.78 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 2.13 1.79 0.00 6 V 8.32 4.96 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 0.66 0.00 0.00 0.93 0.00 0.00 7 N 10.06 5.24 0.00 2.23 2.71 0.00 0.00 6.83 7.51 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 8 I 8.15 4.93 1.87 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 1.09 0.63 0.91 0.00 0.00 9 V 8.50 4.83 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 0.66 0.00 0.00 0.93 0.00 0.00 10 L 8.89 4.87 0.00 1.30 1.60 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.65 4.77 0.00 2.41 2.74 0.00 0.00 6.72 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 12 P 0.00 4.57 0.00 2.08 1.95 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 13 N 8.06 5.16 0.00 2.72 2.64 0.00 0.00 6.63 7.07 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 14 L 8.00 4.75 0.00 1.63 1.44 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.46 4.85 0.00 2.68 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 16 Q 8.66 4.48 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 6.91 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 17 S 8.07 4.37 0.00 3.73 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 18 Q 8.13 4.32 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.88 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 19 L 8.43 4.21 0.00 1.60 1.71 0.92 0.66 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 20 A 8.18 4.30 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 21 L 7.95 3.97 0.00 1.69 1.69 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.24 4.25 0.00 1.98 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 2.25 2.21 0.00 23 K 7.96 4.24 0.00 1.70 1.85 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.33 7.81 24 E 8.39 4.27 0.00 1.99 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 2.24 2.20 0.00 25 I 7.70 4.35 1.87 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 1.38 0.56 0.91 0.00 0.00 26 I 8.06 4.02 1.87 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 1.38 0.54 0.91 0.00 0.00 27 Q 8.29 4.31 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 28 R 7.71 4.21 0.00 1.88 1.94 0.00 3.27 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 29 A 8.51 4.26 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 30 L 8.07 4.04 0.00 1.69 1.69 0.92 1.00 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 31 E 8.16 4.69 0.00 2.00 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 2.25 2.06 0.00 32 N 7.86 4.97 0.00 2.81 2.76 0.00 0.00 6.69 7.22 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 *33 Y 7.79 4.76 0.00 2.23 2.13 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 34 G 8.02 3.82 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 0.00 0.00 0.00 35 A 8.09 4.72 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 36 R 8.44 4.77 0.00 1.50 1.83 0.00 3.26 0.00 0.00 3.37 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 37 V 8.62 3.68 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 0.84 0.00 0.00 0.93 0.00 0.00 38 E 9.33 4.34 0.00 1.71 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 2.23 2.13 0.00 39 K 7.56 4.43 0.00 1.38 1.62 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.78 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.22 0.87 7.81 40 V 8.60 4.95 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 0.88 0.00 0.00 0.93 0.00 0.00 41 E 9.21 4.68 0.00 1.60 1.76 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 2.13 2.11 0.00 42 E 8.91 4.53 0.00 1.72 1.78 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 2.13 1.85 0.00 43 L 8.78 3.91 0.00 1.42 1.60 0.92 0.86 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 44 G 6.80 3.77 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 0.00 0.00 0.00 45 L 8.36 5.18 0.00 1.63 1.45 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.34 4.73 0.00 1.80 1.50 0.00 3.18 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.16 0.00 47 R 8.46 4.64 0.00 1.75 1.66 0.00 3.23 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.00 48 L 8.52 4.26 0.00 1.58 1.57 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.56 4.24 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 *50 Y 7.21 4.46 0.00 2.40 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 0.00 0.00 0.00 0.00 51 P 0.00 4.54 0.00 2.08 1.92 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 52 I 8.36 4.19 1.87 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 1.23 0.57 0.91 0.00 0.00 53 A 9.42 3.86 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 54 K 8.47 3.82 0.00 1.95 1.76 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.26 0.98 7.81 55 D 8.17 4.83 0.00 2.54 2.54 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 56 P 0.00 4.48 0.00 1.99 2.08 0.00 3.64 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 2.02 1.58 0.00 57 Q 7.48 4.93 0.00 2.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.16 1.89 0.00 58 G 8.06 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 0.00 0.00 0.00 *59 Y 8.36 4.87 0.00 2.06 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 0.00 0.00 0.00 0.00 *60 F 8.95 5.16 0.00 1.97 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 0.00 0.00 0.00 0.00 61 L 9.38 5.11 0.00 1.24 1.50 0.92 1.13 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 *62 W 8.84 5.11 0.00 2.15 2.13 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 *63 Y 8.69 5.17 0.00 1.90 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 0.00 0.00 0.00 0.00 64 Q 8.58 4.64 0.00 1.78 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.61 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 65 V 8.43 5.33 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 1.04 0.00 0.00 0.93 0.00 0.00 66 E 8.61 4.68 0.00 1.70 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 2.10 1.84 0.00 67 M 7.84 5.36 0.00 1.70 1.96 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 1.94 0.00 68 P 0.00 4.38 0.00 1.84 1.90 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.63 0.00 69 E 9.11 4.09 0.00 1.98 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 2.23 1.88 0.00 70 D 7.99 4.89 0.00 2.69 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.87 4.69 0.00 1.67 1.84 0.00 3.22 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.00 72 V 8.09 3.65 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 0.75 0.00 0.00 0.93 0.00 0.00 73 N 8.37 4.58 0.00 2.72 2.88 0.00 0.00 6.88 8.07 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 74 D 7.61 4.69 0.00 2.60 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 75 L 8.17 4.34 0.00 1.63 1.69 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.22 4.27 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 77 R 7.93 4.04 0.00 1.83 1.95 0.00 3.27 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 1.56 1.51 0.00 78 E 8.19 4.32 0.00 2.08 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 2.26 2.19 0.00 79 L 7.38 4.81 0.00 1.50 1.67 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.02 4.53 0.00 1.92 1.86 0.00 3.23 0.00 0.00 3.26 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 81 I 7.71 4.21 1.87 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 1.50 1.10 0.91 0.00 0.00 82 R 7.44 4.30 0.00 1.73 1.84 0.00 3.24 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 83 D 8.80 4.26 0.00 2.69 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 84 N 8.38 4.61 0.00 2.41 2.85 0.00 0.00 7.03 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 85 V 7.35 3.79 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 0.80 0.00 0.00 0.93 0.00 0.00 86 R 9.65 4.18 0.00 1.54 1.87 0.00 3.28 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 87 R 7.51 4.53 0.00 1.43 1.75 0.00 3.16 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.06 0.00 88 V 8.55 5.01 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 0.88 0.00 0.00 0.93 0.00 0.00 89 M 9.24 4.94 0.00 1.64 1.89 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 90 V 8.61 5.01 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 0.88 0.00 0.00 0.93 0.00 0.00 91 V 8.86 4.61 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 0.84 0.00 0.00 0.93 0.00 0.00 92 K 9.11 4.28 0.00 1.72 1.54 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.27 0.99 7.81 93 S 8.53 3.70 0.00 3.83 3.82 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 94 Q 8.46 3.11 0.00 2.13 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.90 0.00 0.00 0.00 0.00 0.00 2.21 1.90 0.00 95 E 8.83 4.13 0.00 1.98 1.77 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 2.23 1.88 0.00 96 P 0.00 4.52 0.00 2.08 1.87 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 *97 F 8.43 4.32 0.00 2.24 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.