NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.4995 8.2993 120.1367 56.5460 33.4740 172.7141 4 I 4.3617 8.3427 120.9351 58.3566 40.2728 173.6262 5 R 5.1772 9.3016 129.9137 56.1667 31.5522 176.4021 6 I 4.8959 8.6207 126.5326 59.4527 41.2018 174.7737 7 K 5.0316 8.9088 124.8310 54.9536 36.2004 175.1250 8 L 5.0064 9.0485 126.6919 52.9307 43.6232 176.0069 9 R 5.0854 8.0318 120.6096 54.4007 32.8651 175.1162 10 G 3.7972 8.0048 106.2410 46.6724 0.0000 173.9940 11 F 5.2765 8.8027 117.8861 58.3146 39.7139 175.9010 12 D 4.8908 8.0066 121.0202 52.9335 42.1046 175.8117 13 H 4.7502 8.9035 120.8162 55.7557 28.9555 175.6847 14 K 4.3514 8.5295 120.4586 57.8057 34.2919 177.9901 15 T 4.1782 7.6480 113.0413 64.7438 68.1623 173.8849 16 L 4.5794 7.0569 118.7558 55.3517 44.9537 177.8177 17 D 4.2641 8.1028 119.0370 57.5980 41.6927 178.4978 18 A 4.2116 7.9254 121.6768 54.9818 18.8455 180.7860 19 S 4.5217 7.5332 108.3071 58.7361 62.5600 174.6754 20 A 4.6606 8.5129 122.4814 52.9053 20.2713 177.5704 21 Q 4.4516 7.7526 113.8903 56.0512 30.2711 177.7868 22 K 4.1632 8.0278 119.1865 58.6742 32.5695 177.1140 23 I 4.3343 7.4019 118.9242 60.6175 37.7622 176.0359 24 V 4.5574 7.6036 118.2882 64.6208 37.7524 175.1317 25 E 4.0843 8.9965 119.6182 59.2892 29.4750 177.9450 26 A 4.2873 7.7229 120.0572 51.2101 18.4054 177.4945 27 A 4.5386 7.4939 120.6914 54.1729 24.1124 178.7083 28 R 4.1503 8.0558 115.6681 57.9454 30.6037 177.3362 29 R 4.5968 8.1820 113.7378 51.8133 28.7583 175.6995 30 S 5.9841 7.5281 129.3696 59.8657 64.1271 177.6498 31 G 4.3780 7.4963 109.8146 46.3141 0.0000 172.7094 32 A 4.3992 8.5029 129.0210 52.4515 18.2262 177.8205 33 Q 4.2835 8.6202 113.9571 55.6852 30.7459 173.7780 34 V 3.5602 7.6710 122.7753 62.6212 32.2946 172.1120 35 S 4.1411 9.3309 120.6102 58.3058 62.3515 176.0554 36 G 3.8548 7.8657 112.6021 44.5723 0.0000 170.4921 37 P 4.8645 0.0000 0.0000 61.9468 32.3961 175.4797 38 I 4.1518 8.3019 125.6431 60.4764 39.0182 172.8932 39 P 4.2277 0.0000 0.0000 64.1530 32.0627 178.0674 40 L 4.0204 9.5784 120.5868 54.9154 41.7065 172.3695 41 P 4.3920 0.0000 0.0000 63.7074 31.5979 175.3464 42 T 4.6187 8.1284 115.0927 62.6178 70.5451 175.5099 43 R 4.4488 8.4117 124.3960 54.5909 30.0750 173.6463 44 V 3.8184 7.9805 121.2306 62.4636 32.6186 174.5802 45 R 4.3808 8.5833 129.0593 54.7972 31.7145 174.7355 46 R 4.9511 8.2019 125.3297 54.7087 32.4792 175.8909 47 F 4.7911 9.8908 122.0018 56.1323 42.2788 174.0448 48 T 5.0997 8.7857 120.9953 61.7324 70.4275 174.1671 49 V 4.6683 8.1924 123.7940 59.6882 35.6582 174.8074 50 I 4.3358 8.2721 122.2544 60.5708 37.6694 175.9776 51 R 4.0136 8.1604 125.4670 59.5340 30.1730 177.7511 52 G 3.9034 7.7379 105.3339 44.6054 0.0000 171.7843 53 P 4.5114 0.0000 0.0000 63.9898 31.9823 176.3668 54 F 4.8432 7.9806 121.2424 57.7315 42.7399 174.7450 55 K 3.1481 8.9171 127.4466 58.0029 32.6995 174.4368 56 H 4.0481 8.4460 106.9799 57.0026 26.1395 176.2260 57 K 4.0849 8.2458 112.8962 58.1871 32.0420 176.5552 58 D 4.8418 8.0783 117.8097 54.5706 40.7390 177.2631 59 S 4.3113 7.7311 113.7649 58.6711 64.3495 175.4772 60 R 4.3449 7.9142 122.3432 52.7553 28.2395 172.6508 61 E 3.6745 8.3574 125.3494 56.3059 31.5810 172.4764 62 H 5.2541 8.2119 122.1804 54.4101 31.1551 174.3739 63 F 5.3321 9.0980 119.7302 55.8867 42.6166 173.7207 64 E 4.9896 9.2359 121.1958 54.3610 32.2841 175.7844 65 L 4.7779 8.4377 122.3377 53.2562 41.4072 174.8765 66 R 4.1237 7.9710 116.9575 55.9952 31.0688 177.3333 67 T 4.7753 8.4330 121.7803 62.7059 69.7473 174.2689 68 H 4.9589 9.3855 124.9318 55.5398 30.4501 174.5081 69 N 5.5864 8.5845 116.3557 51.9607 42.6560 173.9267 70 R 4.7479 9.0954 119.2701 54.5308 34.7343 173.3331 71 L 4.8221 9.2043 119.7256 52.2616 43.4500 177.3573 72 V 4.3748 8.4940 125.0626 59.4454 30.6966 166.9597 73 D 4.9861 8.3840 128.6956 53.8944 40.1890 173.4793 74 I 4.5176 7.8432 126.0959 59.1713 36.9989 175.4825 75 I 3.9825 7.9360 126.0739 62.2682 37.5110 173.4759 76 N 4.1310 8.7856 126.1249 52.2028 35.2051 173.2652 77 P 4.5110 0.0000 0.0000 62.1474 29.7088 177.2236 78 N 4.2450 7.9318 116.6122 54.5648 39.0136 176.7528 79 R 4.1320 8.5446 122.4903 57.7386 30.4446 177.5595 80 K 4.3847 7.8219 117.8332 57.8885 33.1774 177.5535 81 T 4.3940 7.6705 115.0597 65.6900 68.6667 176.7801 82 I 3.7745 7.8146 120.4136 63.7120 36.9785 176.7697 83 E 4.1481 7.5865 119.9241 58.7888 29.8653 177.8554 84 Q 4.2595 8.1839 116.9606 59.3734 30.2280 178.6697 85 L 4.6598 7.3271 120.2925 52.6464 39.8967 176.0981 86 M 3.3268 8.6578 127.1536 57.1799 31.6533 176.9258 87 T 4.6842 7.1252 116.9738 61.4897 70.4016 173.2153 88 L 4.4109 7.5975 120.4172 53.9870 43.9859 173.8499 89 D 4.6860 7.8799 121.8304 52.5746 41.9626 175.3956 90 L 4.7232 8.1727 115.1789 53.6642 44.3806 174.7182 91 P 4.5308 0.0000 0.0000 62.6175 32.1592 176.0599 92 T 4.3093 8.5844 117.9306 63.8701 70.5751 175.4633 93 G 4.0708 7.7913 110.5951 44.1893 0.0000 171.8458 94 V 4.5344 7.0101 116.4430 61.4096 35.8808 174.5710 95 E 4.7160 8.5327 122.1419 54.7163 33.1851 173.7391 96 I 4.7490 8.4003 126.4007 59.5838 40.5282 174.9693 97 E 4.6413 8.8246 123.9169 54.8449 32.8494 174.7767 98 I 5.1935 8.3431 124.2897 59.6811 41.7686 174.6190 99 K 4.7209 9.2966 126.4975 56.0114 37.0414 175.7867 100 T 4.7258 8.3884 117.7623 60.8442 70.9381 172.7670 *101 V 3.9004 8.0797 114.9397 62.6739 32.4044 172.5822 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 3 K 8.30 4.50 0.00 1.78 1.93 0.00 1.48 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.45 7.81 4 I 8.34 4.36 1.94 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 1.30 0.84 0.91 0.00 0.00 5 R 9.30 5.18 0.00 1.94 1.86 0.00 3.07 0.00 0.00 3.26 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.46 0.00 6 I 8.62 4.90 2.07 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 1.34 1.14 0.94 0.00 0.00 7 K 8.91 5.03 0.00 1.80 1.65 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.40 7.81 8 L 9.05 5.01 0.00 1.54 1.56 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.03 5.09 0.00 1.80 2.07 0.00 3.01 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.44 0.00 10 G 8.00 3.80 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 0.00 0.00 0.00 11 F 8.80 5.28 0.00 3.09 3.02 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 12 D 8.01 4.89 0.00 2.75 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 13 H 8.90 4.75 0.00 3.11 3.12 0.00 5.52 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.53 4.35 0.00 1.92 1.77 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.16 1.05 7.81 15 T 7.65 4.18 4.25 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 1.24 0.00 0.00 16 L 7.06 4.58 0.00 1.65 1.56 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.10 4.26 0.00 2.68 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 18 A 7.93 4.21 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 19 S 7.53 4.52 0.00 4.12 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 20 A 8.51 4.66 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 21 Q 7.75 4.45 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 22 K 8.03 4.16 0.00 1.78 1.79 0.00 1.69 0.00 0.00 2.07 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.45 7.81 23 I 7.40 4.33 1.86 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 1.29 0.58 0.91 0.00 0.00 24 V 7.60 4.56 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 0.76 0.00 0.00 0.98 0.00 0.00 25 E 9.00 4.08 0.00 2.05 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 2.32 2.43 0.00 26 A 7.72 4.29 1.36 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 27 A 7.49 4.54 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 28 R 8.06 4.15 0.00 1.95 1.99 0.00 3.11 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 29 R 8.18 4.60 0.00 1.85 1.91 0.00 3.31 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 30 S 7.53 5.98 0.00 4.23 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 31 G 7.50 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 32 A 8.50 4.40 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.62 4.28 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 5.95 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 34 V 7.67 3.56 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 1.01 0.00 0.00 0.93 0.00 0.00 35 S 9.33 4.14 0.00 4.31 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 36 G 7.87 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.86 0.00 2.08 2.07 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 38 I 8.30 4.15 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 1.35 0.61 0.92 0.00 0.00 39 P 0.00 4.23 0.00 2.08 1.83 0.00 3.57 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 40 L 9.58 4.02 0.00 1.71 2.06 0.93 0.99 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 41 P 0.00 4.39 0.00 2.18 2.08 0.00 3.76 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 2.00 2.02 0.00 42 T 8.13 4.62 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 1.12 0.00 0.00 43 R 8.41 4.45 0.00 1.76 1.87 0.00 3.28 0.00 0.00 3.09 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 44 V 7.98 3.82 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 0.71 0.00 0.00 0.91 0.00 0.00 45 R 8.58 4.38 0.00 1.84 1.72 0.00 3.37 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.31 0.00 46 R 8.20 4.95 0.00 1.56 1.70 0.00 3.09 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 47 F 9.89 4.79 0.00 3.06 3.05 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 48 T 8.79 5.10 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 1.29 0.00 0.00 49 V 8.19 4.67 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 1.01 0.00 0.00 1.01 0.00 0.00 50 I 8.27 4.34 1.90 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 1.42 0.57 0.97 0.00 0.00 51 R 8.16 4.01 0.00 1.93 2.01 0.00 3.13 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.57 0.00 52 G 7.74 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 53 P 0.00 4.51 0.00 2.26 2.23 0.00 3.83 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 2.08 1.99 0.00 54 F 7.98 4.84 0.00 2.85 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 55 K 8.92 3.15 0.00 1.68 1.06 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.11 0.95 7.81 56 H 8.45 4.05 0.00 3.37 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.25 4.08 0.00 1.82 1.86 0.00 1.41 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.49 7.81 58 D 8.08 4.84 0.00 2.67 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 59 S 7.73 4.31 0.00 3.94 3.91 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 60 R 7.91 4.34 0.00 1.93 1.91 0.00 3.52 0.00 0.00 3.92 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 61 E 8.36 3.67 0.00 2.02 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 1.47 1.93 0.00 62 H 8.21 5.25 0.00 2.96 3.12 0.00 5.71 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 63 F 9.10 5.33 0.00 3.31 2.87 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 0.00 0.00 0.00 64 E 9.24 4.99 0.00 1.96 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 2.24 2.32 0.00 65 L 8.44 4.78 0.00 1.71 1.70 0.13 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.97 4.12 0.00 1.77 1.91 0.00 3.12 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 67 T 8.43 4.78 4.33 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 1.26 0.00 0.00 68 H 9.39 4.96 0.00 3.21 3.26 0.00 5.56 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.58 5.59 0.00 2.56 2.67 0.00 0.00 6.71 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 70 R 9.10 4.75 0.00 1.73 1.75 0.00 3.25 0.00 0.00 3.21 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 71 L 9.20 4.82 0.00 1.75 1.44 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.49 4.37 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 0.99 0.00 0.00 0.93 0.00 0.00 73 D 8.38 4.99 0.00 3.00 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 74 I 7.84 4.52 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 1.41 1.01 0.91 0.00 0.00 75 I 7.94 3.98 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 1.41 0.46 0.91 0.00 0.00 76 N 8.79 4.13 0.00 2.95 3.00 0.00 0.00 6.99 8.02 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 77 P 0.00 4.51 0.00 2.17 2.11 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 78 N 7.93 4.25 0.00 2.77 2.92 0.00 0.00 7.00 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 79 R 8.54 4.13 0.00 1.80 1.98 0.00 3.19 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 80 K 7.82 4.38 0.00 1.69 1.97 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.58 7.81 81 T 7.67 4.39 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 1.26 0.00 0.00 82 I 7.81 3.77 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 1.41 0.68 0.91 0.00 0.00 83 E 7.59 4.15 0.00 2.17 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 2.34 2.32 0.00 84 Q 8.18 4.26 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 85 L 7.33 4.66 0.00 1.63 0.76 0.92 0.88 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 86 M 8.66 3.33 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 87 T 7.13 4.68 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 88 L 7.60 4.41 0.00 1.58 1.56 0.95 1.06 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 89 D 7.88 4.69 0.00 2.72 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 90 L 8.17 4.72 0.00 1.58 1.65 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.53 0.00 2.16 2.04 0.00 3.84 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 92 T 8.58 4.31 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 93 G 7.79 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 0.00 0.00 0.00 94 V 7.01 4.53 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 0.77 0.00 0.00 0.93 0.00 0.00 95 E 8.53 4.72 0.00 1.99 1.63 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 2.16 2.24 0.00 96 I 8.40 4.75 1.86 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 1.32 0.76 0.90 0.00 0.00 97 E 8.82 4.64 0.00 1.85 1.81 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 2.19 2.39 0.00 98 I 8.34 5.19 1.86 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 1.34 0.59 0.94 0.00 0.00 99 K 9.30 4.72 0.00 1.61 1.67 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.36 7.81 100 T 8.39 4.73 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 *101 V 8.08 3.90 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 0.82 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.