NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2843 0.0000 0.0000 62.1129 32.4751 176.8331 3 K 3.8413 8.5428 120.4763 55.2204 30.5682 174.3204 4 K 4.0702 8.0303 124.8610 54.8523 35.0444 174.3558 5 V 4.9062 8.1238 124.4331 61.4381 34.6335 174.2478 6 L 4.8776 8.7426 127.0953 53.6934 45.6565 175.2088 7 T 4.8359 7.5978 114.1240 64.0619 72.3848 173.9640 8 G 4.5619 8.2115 112.0863 46.7334 0.0000 171.7266 9 V 4.5835 8.3123 120.3349 61.7373 34.0271 175.6410 10 V 4.6910 8.1138 121.5169 61.7990 33.1600 176.7100 11 V 4.7403 7.9432 116.1111 60.9477 35.4836 175.0107 12 S 4.6532 7.8564 111.0372 58.3095 64.3822 176.0809 13 D 4.8160 8.9671 126.5218 53.3581 40.5506 178.0587 14 K 4.3077 7.7662 120.5974 54.7418 29.6653 174.4934 15 M 4.2322 7.1547 119.1599 55.3526 35.6695 173.2526 16 Q 4.4149 8.1602 119.8822 55.7742 30.3704 175.9424 17 K 4.6213 8.7941 118.5786 56.2932 30.2068 173.8348 18 T 5.3265 7.5773 112.9179 62.4972 72.9284 173.5473 19 V 4.7151 8.6405 114.4997 60.7430 36.6242 173.9582 20 T 4.7219 8.4967 120.5012 63.1909 70.5922 174.7216 21 V 5.1591 8.4814 124.3460 60.7243 34.4021 173.7330 22 L 4.4109 8.3771 130.8841 54.9820 43.5489 175.7813 23 V 4.6386 9.0857 125.2910 61.4154 34.4007 174.5827 24 E 4.7228 9.0894 127.4071 55.5105 31.3145 175.5481 25 R 4.6530 7.7246 115.9771 57.0953 32.5457 172.7913 26 Q 5.2083 8.1452 115.6352 56.7753 31.1050 172.3289 27 F 4.6413 7.1880 113.2668 56.4584 40.7157 170.3273 28 P 5.3580 0.0000 0.0000 61.4783 32.4723 175.9133 29 H 4.3668 8.7937 124.0739 56.1003 30.1927 174.3098 30 P 4.2085 0.0000 0.0000 65.0166 31.1067 176.6703 31 L 4.5283 8.2275 117.7121 55.0437 44.2282 176.0349 32 Y 4.8095 7.9037 113.4102 56.9580 38.8015 175.4242 33 G 4.1135 8.5185 106.1559 45.8490 0.0000 173.5893 34 K 4.0375 8.2529 121.5928 56.4311 33.5443 176.0760 35 V 4.2067 8.4209 126.0544 63.0981 32.0723 175.0579 36 I 4.5544 8.7307 121.9632 58.9940 40.4828 174.8707 37 K 4.9920 8.0351 122.9056 53.9052 35.3448 174.7458 38 R 4.2145 7.9117 120.1821 57.0542 32.6169 171.6969 39 S 4.8212 8.2397 112.7348 58.2721 65.5475 173.4677 40 K 4.5825 8.4974 119.3474 55.4698 35.7981 174.7431 41 K 5.0571 8.2915 122.8466 54.8291 34.7205 175.2818 42 Y 4.4660 9.0306 120.7976 56.1141 41.8783 175.2323 43 L 4.8975 8.4674 122.9089 53.7937 41.8272 175.8686 44 A 4.6469 9.4234 127.3990 51.2939 20.9661 175.8682 45 H 4.8316 8.7708 121.4785 55.3770 30.9407 173.8253 46 D 4.8332 8.5184 127.5682 51.8055 42.3327 174.1818 47 P 4.8280 0.0000 0.0000 62.9744 31.8720 177.0382 48 E 4.5129 8.9691 119.0363 61.3377 31.1398 177.7794 49 E 4.5305 7.1349 115.3419 60.0013 25.6708 176.9848 50 K 4.3336 8.0260 113.8808 56.3214 33.6048 176.3047 51 Y 4.5160 7.8519 116.8010 56.5119 40.0055 175.6349 52 K 4.4180 8.6019 125.1480 54.9537 34.2287 176.0449 53 L 4.2237 8.2200 120.9622 56.2535 42.4521 176.8713 54 G 3.9032 8.4015 111.3222 45.9467 0.0000 173.0360 55 D 5.0625 7.7172 119.3825 52.9912 43.6209 175.2215 56 V 4.9190 8.3569 119.2982 61.4419 34.1209 174.8249 57 V 4.8457 8.3184 119.8361 59.8175 36.4834 174.4900 58 E 4.6255 8.6542 121.8008 56.0004 31.5530 175.6517 59 I 4.8043 8.9413 122.3193 59.5937 40.8135 174.2105 60 I 4.6844 7.9830 126.7887 58.7267 40.3777 174.5855 61 E 2.7512 8.1302 129.5125 56.7678 30.3157 176.1244 62 S 4.5126 7.6846 118.6540 57.9108 67.1922 173.3168 63 R 4.2917 8.4584 120.3109 55.0373 30.7727 174.8359 64 P 4.5914 0.0000 0.0000 63.4675 31.8477 176.0561 65 I 4.4776 7.9970 119.3279 60.4998 39.2766 175.6169 66 S 4.5974 7.5464 113.1358 57.3481 64.5348 176.4212 67 K 3.9066 7.8550 121.8900 57.4572 32.3198 178.2719 68 R 4.0343 8.5438 120.5816 56.7306 30.4550 175.7082 69 K 4.5785 8.2472 119.3569 54.8277 33.4835 176.0778 70 R 4.8565 8.5115 121.9515 55.4364 34.0718 174.4494 71 F 5.2400 8.4056 117.8061 55.0964 41.5638 174.9926 72 R 4.9246 8.4733 121.7891 54.3231 32.6044 175.9956 73 V 3.2798 7.9321 122.3424 64.7285 31.6260 174.6071 74 L 4.2500 9.1001 132.8327 56.0417 42.0767 178.0656 75 R 4.9232 8.8644 110.4115 54.1456 33.8482 176.1238 76 L 4.4981 8.9562 123.0830 55.9445 42.3144 176.5258 77 V 4.5202 9.1961 122.8579 61.5748 34.1696 175.6601 78 E 5.3987 7.6533 123.2619 56.2422 30.4691 176.4520 79 S 4.5819 8.4580 116.6531 57.4327 63.8217 170.3433 80 G 3.8566 8.5904 118.3117 46.1643 0.0000 173.2777 81 R 5.1717 7.7762 123.1243 56.3809 34.0090 176.9365 82 M 4.1167 8.0613 121.0701 58.3302 32.3592 178.2926 83 D 4.3879 8.4007 118.9973 56.8279 39.2070 178.5232 84 L 3.9730 7.8828 120.9097 57.1518 41.4627 179.5408 85 V 3.6715 7.5123 117.5217 66.5360 31.3127 178.0155 86 E 4.0815 8.0334 117.9831 59.1604 29.1547 179.0665 87 K 4.0433 7.6975 115.9316 58.1692 32.4494 175.9053 88 Y 4.5934 7.4101 118.2832 58.5185 40.4066 176.2143 89 L 3.4167 9.4843 119.9863 59.0380 42.1331 179.0847 90 I 3.5984 8.2312 119.3715 64.1305 36.9293 178.2237 91 R 3.8506 7.7759 118.4240 60.2754 29.8061 177.5257 92 R 3.5906 8.5363 118.3754 59.0032 29.4623 179.4359 93 Q 3.5664 8.0692 118.3202 58.4503 30.1446 179.1770 94 N 4.6463 7.1825 114.7608 54.4120 38.6130 176.0755 95 Y 4.2788 9.5024 119.4907 61.1943 38.1207 177.8071 96 E 3.9422 7.6398 117.8562 58.0085 30.9142 177.3682 97 S 4.8057 8.3426 113.7678 56.7558 62.2176 174.8321 98 L 4.6009 7.3171 114.6978 56.2097 46.4319 176.0245 99 S 4.8775 7.7850 121.5438 58.5917 61.9540 177.3882 100 K 4.3581 8.4776 112.9916 54.9313 31.4135 176.6122 *101 R 4.1415 7.7893 119.8459 56.2937 30.0213 176.7078 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 P 0.00 4.28 0.00 2.16 2.09 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.97 0.00 3 K 8.54 3.84 0.00 1.75 1.70 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.43 7.81 4 K 8.03 4.07 0.00 1.81 1.64 0.00 1.52 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.50 7.81 5 V 8.12 4.91 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 0.85 0.00 0.00 0.94 0.00 0.00 6 L 8.74 4.88 0.00 1.38 1.40 0.51 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.60 4.84 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 1.21 0.00 0.00 8 G 8.21 4.56 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 0.00 0.00 0.00 9 V 8.31 4.58 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 1.03 0.00 0.00 0.94 0.00 0.00 10 V 8.11 4.69 2.29 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 1.00 0.00 0.00 1.08 0.00 0.00 11 V 7.94 4.74 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 0.62 0.00 0.00 0.86 0.00 0.00 12 S 7.86 4.65 0.00 3.90 3.72 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 13 D 8.97 4.82 0.00 2.85 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 14 K 7.77 4.31 0.00 1.79 1.85 0.00 1.81 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.45 7.81 15 M 7.15 4.23 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 16 Q 8.16 4.41 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 5.90 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 17 K 8.79 4.62 0.00 1.95 1.86 0.00 1.94 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.42 7.81 18 T 7.58 5.33 4.26 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 1.31 0.00 0.00 19 V 8.64 4.72 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 0.90 0.00 0.00 20 T 8.50 4.72 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 1.16 0.00 0.00 21 V 8.48 5.16 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 0.91 0.00 0.00 22 L 8.38 4.41 0.00 1.46 1.36 0.83 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 23 V 9.09 4.64 2.23 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 0.96 0.00 0.00 1.09 0.00 0.00 24 E 9.09 4.72 0.00 1.89 1.86 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 2.28 2.14 0.00 25 R 7.72 4.65 0.00 1.91 2.08 0.00 3.18 0.00 0.00 3.51 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 26 Q 8.15 5.21 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.97 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 27 F 7.19 4.64 0.00 3.11 3.25 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 28 P 0.00 5.36 0.00 2.07 2.23 0.00 3.89 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 29 H 8.79 4.37 0.00 3.38 3.34 0.00 5.60 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.21 0.00 2.11 2.07 0.00 3.21 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 31 L 8.23 4.53 0.00 1.36 1.23 0.89 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.90 4.81 0.00 2.81 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 33 G 8.52 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 0.00 0.00 0.00 34 K 8.25 4.04 0.00 1.85 1.77 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.42 7.81 35 V 8.42 4.21 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 0.83 0.00 0.00 0.94 0.00 0.00 36 I 8.73 4.55 1.53 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.47 0.87 0.00 0.00 37 K 8.04 4.99 0.00 1.58 1.70 0.00 1.84 0.00 0.00 0.61 0.00 0.00 2.79 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.26 1.18 7.81 38 R 7.91 4.21 0.00 1.75 1.77 0.00 3.27 0.00 0.00 3.43 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.44 0.00 39 S 8.24 4.82 0.00 3.99 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 40 K 8.50 4.58 0.00 1.73 1.67 0.00 0.61 0.00 0.00 0.80 0.00 0.00 2.71 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.80 1.14 7.81 41 K 8.29 5.06 0.00 1.52 1.55 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.67 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.17 1.32 7.81 42 Y 9.03 4.47 0.00 2.73 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 43 L 8.47 4.90 0.00 1.48 1.64 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 A 9.42 4.65 1.22 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 0.00 0.00 0.00 45 H 8.77 4.83 0.00 3.35 3.26 0.00 5.74 0.00 0.00 0.00 0.00 6.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.52 4.83 0.00 2.77 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 47 P 0.00 4.83 0.00 2.26 2.20 0.00 3.85 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 48 E 8.97 4.51 0.00 1.94 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 2.26 2.34 0.00 49 E 7.13 4.53 0.00 2.04 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 0.00 2.33 2.32 0.00 50 K 8.03 4.33 0.00 1.53 1.78 0.00 1.36 0.00 0.00 1.64 0.00 0.00 3.28 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 0.60 7.81 51 Y 7.85 4.52 0.00 2.92 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 52 K 8.60 4.42 0.00 1.91 1.80 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.37 7.81 53 L 8.22 4.22 0.00 1.77 1.59 1.00 1.06 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 54 G 8.40 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 55 D 7.72 5.06 0.00 2.78 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 56 V 8.36 4.92 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 1.09 0.00 0.00 1.04 0.00 0.00 57 V 8.32 4.85 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 0.84 0.00 0.00 0.83 0.00 0.00 58 E 8.65 4.63 0.00 1.95 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 2.29 2.29 0.00 59 I 8.94 4.80 1.84 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 1.07 0.94 1.11 0.00 0.00 60 I 7.98 4.68 1.79 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 0.95 1.34 0.92 0.00 0.00 61 E 8.13 2.75 0.00 1.44 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 0.00 2.10 1.80 0.00 62 S 7.68 4.51 0.00 3.93 3.73 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 63 R 8.46 4.29 0.00 1.76 1.81 0.00 3.43 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 64 P 0.00 4.59 0.00 2.09 2.03 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 65 I 8.00 4.48 1.88 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 1.25 0.43 0.86 0.00 0.00 66 S 7.55 4.60 0.00 3.95 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 67 K 7.86 3.91 0.00 1.81 1.72 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.43 7.81 68 R 8.54 4.03 0.00 1.92 1.99 0.00 3.23 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 69 K 8.25 4.58 0.00 1.76 1.78 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.61 7.81 70 R 8.51 4.86 0.00 2.03 2.25 0.00 3.25 0.00 0.00 3.39 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 71 F 8.41 5.24 0.00 2.86 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 72 R 8.47 4.92 0.00 1.80 1.88 0.00 3.16 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 73 V 7.93 3.28 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 -0.35 0.00 0.00 0.74 0.00 0.00 74 L 9.10 4.25 0.00 1.73 1.42 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.86 4.92 0.00 1.93 1.99 0.00 3.05 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 76 L 8.96 4.50 0.00 1.83 1.68 1.12 0.85 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 77 V 9.20 4.52 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 0.87 0.00 0.00 0.98 0.00 0.00 78 E 7.65 5.40 0.00 2.25 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 2.13 2.06 0.00 79 S 8.46 4.58 0.00 3.86 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.59 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 81 R 7.78 5.17 0.00 2.00 1.88 0.00 3.33 0.00 0.00 3.45 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 82 M 8.06 4.12 0.00 2.06 2.15 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 2.71 2.51 0.00 83 D 8.40 4.39 0.00 2.87 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 84 L 7.88 3.97 0.00 1.86 1.81 0.94 0.84 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 85 V 7.51 3.67 2.35 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 1.09 0.00 0.00 0.98 0.00 0.00 86 E 8.03 4.08 0.00 2.01 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 2.33 2.52 0.00 87 K 7.70 4.04 0.00 1.97 1.91 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.68 1.63 7.81 88 Y 7.41 4.59 0.00 2.97 3.10 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 89 L 9.48 3.42 0.00 1.93 1.57 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.23 3.60 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.93 0.86 0.00 0.00 91 R 7.78 3.85 0.00 1.75 2.12 0.00 3.41 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 92 R 8.54 3.59 0.00 1.63 1.81 0.00 3.07 0.00 0.00 3.10 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 93 Q 8.07 3.57 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.64 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 94 N 7.18 4.65 0.00 2.73 2.76 0.00 0.00 6.99 7.34 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 95 Y 9.50 4.28 0.00 3.11 2.88 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 96 E 7.64 3.94 0.00 2.00 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 2.35 2.31 0.00 97 S 8.34 4.81 0.00 3.97 3.98 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 98 L 7.32 4.60 0.00 1.66 1.69 1.14 1.01 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 99 S 7.79 4.88 0.00 3.98 3.45 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 0.00 100 K 8.48 4.36 0.00 1.73 1.77 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.33 7.81 *101 R 7.79 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.