NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.2352 8.0748 114.6382 61.5033 68.5688 173.7182 6 C 4.8218 8.3813 120.1340 56.8878 40.9433 172.0110 7 D 5.0970 9.7902 124.0714 52.2548 43.4966 175.5049 8 L 4.6322 8.5932 123.9433 54.5977 42.6579 177.0040 9 V 3.6490 8.3858 124.0344 63.0217 32.0396 171.3536 10 G 3.7976 9.3360 119.2389 44.3495 0.0000 175.6701 *15 E 3.9950 8.9780 127.3044 56.3640 30.4035 176.3871 16 S 4.7109 7.9885 120.7342 55.8862 62.0642 174.4492 17 E 3.8987 8.0917 122.7883 58.8701 29.7402 179.0889 18 K 3.9204 7.9262 119.7217 59.4721 32.3223 178.5900 19 Q 3.9683 9.6571 118.4051 58.6034 28.7102 178.4573 20 L 3.9687 7.8423 119.4553 57.8765 41.6893 179.2148 21 A 4.0311 8.2382 120.7502 55.1550 18.0439 179.6639 22 L 3.9273 7.4513 116.2104 57.9551 41.9307 179.3313 23 L 4.2666 8.1746 118.9971 57.9007 41.6736 179.8260 24 K 3.9888 7.9651 118.0083 59.3204 31.7693 179.3998 25 R 3.9376 8.0429 118.1365 58.5278 30.1939 177.5262 26 L 4.4531 7.5424 117.1437 55.1408 42.1648 178.2298 27 T 2.0000 7.1997 110.4254 63.2601 68.0525 174.1032 28 P 4.2740 0.0000 0.0000 64.2173 31.6869 177.1463 29 L 4.5450 8.0549 117.4966 54.8029 41.9640 178.1789 30 F 4.7216 7.6867 117.5716 60.1543 38.8916 176.6842 31 Q 4.1755 8.0041 115.4394 56.7110 28.9943 176.3353 32 K 4.0933 7.5301 117.8085 55.6860 32.9589 175.9767 33 S 4.3669 7.7020 114.6065 56.4360 64.9724 172.9188 34 F 5.0081 8.4864 125.3186 55.7672 41.6197 174.1758 35 E 5.4784 8.8880 122.1498 55.2096 32.8439 174.1847 36 S 4.8811 9.5951 119.0259 57.5623 66.4948 172.6567 37 T 5.2365 8.7999 123.3432 62.0454 70.6338 173.9812 38 V 4.5376 9.2263 118.7420 60.4441 35.9871 176.4487 39 G 4.3035 9.2955 107.7182 45.9094 0.0000 172.4951 40 Q 4.6222 7.9970 117.1147 53.2746 31.1791 174.9266 41 S 4.1252 8.8850 113.2670 58.4244 62.9827 173.1960 42 P 3.8393 0.0000 0.0000 65.5181 27.8624 173.1864 43 D 4.1893 7.8336 120.2023 53.8460 40.8324 176.0679 44 M 4.7675 7.6500 121.6248 54.6690 36.6762 173.6071 45 Y 5.0750 9.0241 121.1575 56.0947 42.3700 174.3224 46 S 5.2307 8.9595 117.7162 56.8019 65.3581 172.0528 47 Y 5.2598 9.6404 125.2487 56.3844 40.3174 174.6795 48 V 4.9845 8.9018 124.4749 61.0835 34.2264 174.0031 49 F 5.5105 9.0368 129.9164 56.6473 42.5055 173.8280 50 R 4.3875 8.4208 122.5600 54.4614 34.6146 175.1508 51 V 3.9688 8.0718 121.7390 62.3752 31.8665 176.5045 52 C 3.7504 9.0852 127.0746 57.0527 38.1921 173.3127 53 R 4.1351 6.6369 114.4301 53.9934 33.7963 175.1264 54 E 4.2230 8.6265 119.6534 57.3796 29.8225 176.9398 55 A 4.3996 8.7110 126.1514 52.5640 20.7261 176.9926 56 G 4.0159 7.7719 103.6759 44.7762 0.0000 173.1986 57 Q 4.5254 9.5674 115.8984 55.9990 29.7093 176.3961 58 H 4.9332 9.0231 113.7430 55.1695 30.7865 172.5973 59 S 4.7349 7.9279 113.1544 56.3461 65.9071 173.2009 60 S 4.5764 8.2522 114.0246 58.6898 64.2676 173.5168 61 G 3.2846 10.8895 116.7997 44.9754 0.0000 172.0327 62 A 4.3502 7.8082 123.1988 51.7831 19.2873 178.8356 63 G 3.4963 8.9258 109.9118 47.2963 0.0000 173.6811 64 L 5.2936 7.6365 121.9928 54.0231 45.6741 174.9314 65 V 4.9762 9.1419 119.0538 59.5805 36.2148 174.0216 66 Q 4.7071 9.2692 124.0523 54.3565 31.5607 174.2792 67 I 4.8647 8.4961 127.1871 59.2132 40.4446 174.6571 68 Q 3.6824 9.0050 130.3412 55.8673 29.0728 177.0835 69 K 4.1470 8.4410 127.7320 59.2908 32.1258 179.1144 70 S 4.2139 8.0356 114.3954 60.6473 63.0119 174.4874 71 N 4.7945 7.6116 113.0929 51.3246 38.5609 174.8495 72 G 3.8054 8.9163 107.3440 45.5156 0.0000 173.4809 73 K 3.9259 8.3907 122.4071 56.5724 33.1348 175.1475 74 E 5.0107 8.8247 128.9933 55.0848 31.0766 174.7082 75 T 4.7004 9.1097 124.7705 61.7744 71.2193 174.0786 76 V 3.9966 9.0785 127.4052 62.5900 31.8457 176.6917 77 V 3.2596 8.8411 129.4786 65.5037 32.7846 175.8619 78 G 4.2263 7.6602 104.0716 45.4219 0.0000 172.4831 79 R 5.0158 8.9465 121.1532 53.8507 33.1112 176.6418 80 F 4.6063 7.9898 116.4092 56.7050 38.6861 176.4008 81 N 4.6490 7.6559 115.9628 53.8530 38.5311 174.8336 82 E 4.7962 7.8707 118.2413 55.1714 29.0395 174.5862 83 T 5.4323 8.8669 118.6800 62.2962 71.9153 175.1942 84 Q 4.6134 8.8594 122.3674 54.4684 33.4693 174.0065 85 I 5.0680 7.9682 122.0830 59.8171 41.5152 173.9213 86 F 5.0502 9.5378 126.6029 55.7601 43.6448 173.3026 87 Q 4.5960 8.8183 122.0162 54.5778 31.2541 175.2519 88 G 2.4955 7.1384 117.0855 43.3357 0.0000 172.8172 89 S 4.1632 8.1812 113.1860 60.9926 63.2721 174.8987 90 N 5.2620 7.6052 117.8985 51.1997 38.3752 173.6684 91 W 5.6343 7.4521 114.3159 56.6866 32.0188 172.8958 92 I 5.1512 9.3467 121.2264 59.9695 40.7945 173.9926 93 M 5.0371 9.9890 127.5064 53.9782 34.2458 174.0966 94 L 5.1603 8.9112 128.4459 53.3113 45.1201 174.8978 95 I 5.0990 8.8899 126.6106 59.7222 41.0457 173.9035 96 Y 5.2567 9.2621 124.8784 56.7103 40.4910 175.5669 97 K 4.4908 8.9578 125.3787 55.0475 35.5028 177.6433 98 G 3.9001 8.8682 107.7201 46.6827 0.0000 173.9298 99 G 4.0036 7.7392 107.1802 44.5349 0.0000 173.7714 100 D 4.6499 9.1703 120.3324 54.2939 41.8612 176.5639 101 E 4.5624 8.6359 121.6363 56.2322 30.6510 176.4949 102 Y 4.1934 8.7031 121.5696 58.8270 38.7141 177.4003 103 D 4.4073 9.1565 124.0112 57.0361 41.6446 177.8365 104 N 5.1081 7.8089 113.5932 51.3813 37.3994 172.7675 105 H 4.5568 8.2435 113.3313 56.4126 33.8067 174.3890 106 C 4.2277 9.4409 116.0450 58.6281 37.3615 174.1585 107 G 4.1562 8.3628 101.0456 46.4074 0.0000 173.2156 108 R 4.5581 8.4577 114.8219 55.4756 28.5943 176.5194 109 E 4.5528 7.9684 113.7051 55.4811 31.8409 175.7907 110 Q 4.4345 8.6066 119.7354 56.0167 29.4435 176.9567 111 R 4.2460 8.6267 122.7786 56.6149 30.7016 175.6069 112 R 5.2973 8.6696 119.6423 54.9045 34.2310 173.1850 113 A 5.3004 9.4982 127.5082 50.1616 21.9688 175.2356 114 V 4.7452 8.8394 122.3994 61.0126 34.5775 174.3334 115 V 4.5943 8.9156 128.5335 61.3928 34.1019 174.2178 116 M 4.5862 9.0370 129.2384 54.3141 33.1807 175.7185 117 I 4.6980 8.8227 127.1875 60.1993 38.6156 175.4732 118 S 5.1359 9.0408 124.7526 57.2046 64.7266 173.3505 119 C 4.8609 9.1973 125.1094 57.0535 43.4129 172.7161 120 N 4.8281 8.6485 124.1872 52.0334 41.1345 174.2753 121 R 4.3292 8.7352 123.5376 57.2675 29.9595 176.9107 122 H 4.9513 8.4046 113.3535 55.2195 30.1744 173.1684 123 T 4.5995 7.4138 112.9651 60.8997 69.9871 174.2209 124 L 3.9936 8.9440 129.0367 56.5940 42.5948 176.7859 125 A 4.6001 7.3180 117.0071 51.9513 22.8321 174.7178 126 D 4.4573 8.9141 121.1930 54.3867 45.7327 174.6528 127 N 4.2648 8.3624 116.8005 54.2135 35.6793 173.6658 128 F 5.2470 7.9368 119.1805 57.5062 41.2776 175.2591 129 N 4.2584 7.8867 120.2284 51.6947 40.5842 172.2810 130 P 3.9823 0.0000 0.0000 62.6288 32.2038 176.8916 131 V 3.9979 7.5352 123.6923 60.1012 29.0858 174.3042 132 S 4.3508 7.0070 115.5426 58.1509 66.1462 174.3901 133 E 4.6699 7.9106 119.6406 55.2196 32.2138 175.0118 134 E 4.3773 8.4559 118.3894 54.6975 27.9703 177.3976 135 R 4.5107 7.2316 113.8285 56.9629 32.4394 174.9002 136 G 3.9575 7.7934 104.8744 46.0650 0.0000 175.3270 137 M 3.7631 7.5921 119.0302 58.0823 31.8051 179.0521 138 V 3.4692 7.1768 118.0019 65.8958 31.4328 177.9780 139 Q 3.9213 7.8284 116.3916 59.0681 28.7564 177.9664 140 D 4.4509 7.9839 116.6142 54.0776 41.4737 175.5045 141 C 4.0542 7.8320 116.1337 57.0068 38.3413 173.5569 142 F 5.0681 8.0369 121.1200 57.7595 42.3100 173.6580 143 Y 3.9929 8.3922 122.8827 56.7754 38.4599 173.7439 144 L 4.5751 7.3403 126.5455 52.9539 44.4875 175.0370 145 F 5.1118 9.4846 124.4029 55.6228 43.5781 173.5130 146 E 5.2521 8.5592 117.0216 55.6770 33.3590 173.8343 147 M 5.3958 8.5779 116.4440 55.9716 35.2809 172.8119 148 D 5.5494 8.8778 119.3262 52.9876 44.2998 175.6962 149 S 5.1028 8.5990 113.0911 57.6826 66.3337 176.7647 150 S 4.4891 8.9228 121.1562 60.0957 63.1096 176.3537 151 L 4.0659 7.9065 120.6522 57.1783 41.3907 177.5464 152 A 4.4118 7.7722 119.6493 52.3458 18.9164 176.4887 153 C 4.7801 7.7242 114.4037 56.2780 41.6777 174.0974 154 S 4.1328 8.1794 115.2765 58.8942 62.3464 173.9818 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 5 T 8.07 4.24 4.19 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 1.24 0.00 0.00 6 C 8.38 4.82 0.00 3.03 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 9.79 5.10 0.00 2.70 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.59 4.63 0.00 1.55 1.61 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.39 3.65 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 0.76 0.00 0.00 1.03 0.00 0.00 10 G 9.34 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 *15 E 8.98 3.99 0.00 2.10 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 2.18 2.38 0.00 16 S 7.99 4.71 0.00 3.84 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 17 E 8.09 3.90 0.00 2.04 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 2.42 2.42 0.00 18 K 7.93 3.92 0.00 1.81 1.86 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.51 7.81 19 Q 9.66 3.97 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 20 L 7.84 3.97 0.00 1.89 1.73 0.93 1.11 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 21 A 8.24 4.03 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 22 L 7.45 3.93 0.00 1.83 1.75 0.90 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.17 4.27 0.00 1.94 1.90 1.04 0.60 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 24 K 7.97 3.99 0.00 2.02 1.82 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.60 7.81 25 R 8.04 3.94 0.00 1.88 2.14 0.00 3.23 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 26 L 7.54 4.45 0.00 2.11 1.87 0.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.20 2.00 3.36 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 0.74 0.00 0.00 28 P 0.00 4.27 0.00 1.99 2.09 0.00 3.62 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.05 0.00 29 L 8.05 4.54 0.00 1.91 1.94 1.03 1.23 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 30 F 7.69 4.72 0.00 2.94 2.99 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 0.00 0.00 0.00 31 Q 8.00 4.18 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.04 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 32 K 7.53 4.09 0.00 1.56 1.06 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.31 7.81 33 S 7.70 4.37 0.00 3.63 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.49 5.01 0.00 2.68 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 35 E 8.89 5.48 0.00 2.00 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 2.49 2.33 0.00 36 S 9.60 4.88 0.00 4.34 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 37 T 8.80 5.24 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 1.35 0.00 0.00 38 V 9.23 4.54 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 0.77 0.00 0.00 1.21 0.00 0.00 39 G 9.30 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.00 4.62 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 41 S 8.89 4.13 0.00 3.99 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 42 P 0.00 3.84 0.00 2.09 2.03 0.00 3.67 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 2.02 2.16 0.00 43 D 7.83 4.19 0.00 2.95 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 44 M 7.65 4.77 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 45 Y 9.02 5.08 0.00 3.00 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 46 S 8.96 5.23 0.00 3.90 3.69 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 0.00 47 Y 9.64 5.26 0.00 3.38 3.26 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 0.00 48 V 8.90 4.98 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 1.07 0.00 0.00 0.99 0.00 0.00 49 F 9.04 5.51 0.00 2.72 1.82 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 50 R 8.42 4.39 0.00 1.63 1.49 0.00 3.07 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.43 0.00 51 V 8.07 3.97 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 1.26 0.00 0.00 0.90 0.00 0.00 52 C 9.09 3.75 0.00 1.71 2.49 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 0.00 0.00 0.00 0.00 53 R 6.64 4.14 0.00 1.41 1.51 0.00 3.20 0.00 0.00 2.84 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.54 0.00 54 E 8.63 4.22 0.00 1.93 1.92 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 2.47 2.31 0.00 55 A 8.71 4.40 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 56 G 7.77 4.02 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 0.00 0.00 0.00 57 Q 9.57 4.53 0.00 1.80 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.16 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 58 H 9.02 4.93 0.00 3.15 3.19 0.00 5.59 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.93 4.73 0.00 3.88 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 60 S 8.25 4.58 0.00 3.74 3.68 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 61 G 10.89 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 0.00 0.00 0.00 62 A 7.81 4.35 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 63 G 8.93 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.64 5.29 0.00 2.01 1.55 -0.04 0.87 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 65 V 9.14 4.98 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 0.68 0.00 0.00 0.95 0.00 0.00 66 Q 9.27 4.71 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.28 1.76 0.00 67 I 8.50 4.86 1.94 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 1.12 0.66 0.89 0.00 0.00 68 Q 9.00 3.68 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.80 0.00 0.00 0.00 0.00 0.00 1.95 1.69 0.00 69 K 8.44 4.15 0.00 1.62 1.80 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.46 7.81 70 S 8.04 4.21 0.00 3.92 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 71 N 7.61 4.79 0.00 2.74 2.85 0.00 0.00 6.07 7.00 0.00 0.00 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 G 8.92 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 0.00 0.00 0.00 73 K 8.39 3.93 0.00 1.93 1.72 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.40 7.81 74 E 8.82 5.01 0.00 2.04 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 2.21 2.32 0.00 75 T 9.11 4.70 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 1.19 0.00 0.00 76 V 9.08 4.00 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 0.83 0.00 0.00 0.89 0.00 0.00 77 V 8.84 3.26 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 0.54 0.00 0.00 0.73 0.00 0.00 78 G 7.66 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 0.00 0.00 0.00 0.00 79 R 8.95 5.02 0.00 1.68 1.64 0.00 3.10 0.00 0.00 3.07 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.41 0.00 80 F 7.99 4.61 0.00 3.00 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 81 N 7.66 4.65 0.00 2.72 2.63 0.00 0.00 5.90 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 82 E 7.87 4.80 0.00 2.02 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 2.21 2.21 0.00 83 T 8.87 5.43 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 84 Q 8.86 4.61 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 85 I 7.97 5.07 1.84 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 1.20 0.90 0.81 0.00 0.00 86 F 9.54 5.05 0.00 3.26 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.82 4.60 0.00 1.94 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 1.97 2.13 0.00 88 G 7.14 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.18 4.16 0.00 3.95 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 90 N 7.61 5.26 0.00 2.77 3.00 0.00 0.00 5.75 8.88 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 91 W 7.45 5.63 0.00 3.48 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 92 I 9.35 5.15 1.98 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.84 1.01 0.00 0.00 93 M 9.99 5.04 0.00 2.52 2.18 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 2.59 2.68 0.00 94 L 8.91 5.16 0.00 1.78 1.36 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.89 5.10 2.04 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.73 1.07 0.00 0.00 96 Y 9.26 5.26 0.00 2.88 2.76 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 0.00 0.00 0.00 97 K 8.96 4.49 0.00 1.92 1.83 0.00 1.86 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.49 7.81 98 G 8.87 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 99 G 7.74 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.17 4.65 0.00 2.49 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 0.00 101 E 8.64 4.56 0.00 1.89 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 2.36 0.00 102 Y 8.70 4.19 0.00 3.08 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 0.00 103 D 9.16 4.41 0.00 2.77 2.78 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 0.00 104 N 7.81 5.11 0.00 2.70 2.79 0.00 0.00 5.82 7.90 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 0.00 105 H 8.24 4.56 0.00 3.14 2.93 0.00 5.94 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 C 9.44 4.23 0.00 2.32 2.83 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 0.00 107 G 8.36 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 0.00 108 R 8.46 4.56 0.00 1.95 2.09 0.00 3.15 0.00 0.00 3.16 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.55 0.00 109 E 7.97 4.55 0.00 2.18 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 2.79 2.60 0.00 110 Q 8.61 4.43 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.06 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 111 R 8.63 4.25 0.00 1.65 1.77 0.00 2.79 0.00 0.00 2.56 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.23 0.00 112 R 8.67 5.30 0.00 2.00 1.95 0.00 3.37 0.00 0.00 3.51 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 113 A 9.50 5.30 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 0.00 114 V 8.84 4.75 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 1.00 0.00 0.00 1.20 0.00 0.00 115 V 8.92 4.59 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 0.61 0.00 0.00 0.13 0.00 0.00 116 M 9.04 4.59 0.00 1.83 1.92 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 117 I 8.82 4.70 2.07 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 1.26 0.77 0.97 0.00 0.00 118 S 9.04 5.14 0.00 3.96 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 0.00 119 C 9.20 4.86 0.00 3.13 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 0.00 120 N 8.65 4.83 0.00 2.79 2.67 0.00 0.00 7.24 7.65 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 0.00 121 R 8.74 4.33 0.00 1.76 1.84 0.00 3.19 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 1.61 1.64 0.00 122 H 8.40 4.95 0.00 3.28 3.26 0.00 5.69 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.41 4.60 4.30 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 124 L 8.94 3.99 0.00 1.68 1.72 0.97 1.10 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 0.00 125 A 7.32 4.60 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.91 4.46 0.00 2.74 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 0.00 127 N 8.36 4.26 0.00 2.98 2.85 0.00 0.00 6.40 8.13 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 0.00 128 F 7.94 5.25 0.00 3.04 3.18 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 0.00 129 N 7.89 4.26 0.00 2.62 2.74 0.00 0.00 6.61 7.92 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 0.00 130 P 0.00 3.98 0.00 1.60 1.11 0.00 3.59 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.56 0.00 131 V 7.54 4.00 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 0.65 0.00 0.00 0.73 0.00 0.00 132 S 7.01 4.35 0.00 3.74 3.49 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 0.00 0.00 0.00 0.00 133 E 7.91 4.67 0.00 2.02 1.96 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 2.28 2.24 0.00 134 E 8.46 4.38 0.00 1.96 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 2.04 1.47 0.00 135 R 7.23 4.51 0.00 1.78 1.81 0.00 3.25 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 136 G 7.79 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 0.00 0.00 0.00 137 M 7.59 3.76 0.00 1.40 1.74 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.13 0.00 138 V 7.18 3.47 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 0.80 0.00 0.00 1.10 0.00 0.00 139 Q 7.83 3.92 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 140 D 7.98 4.45 0.00 2.61 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 0.00 141 C 7.83 4.05 0.00 3.04 3.06 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 0.00 142 F 8.04 5.07 0.00 2.95 2.84 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 0.00 0.00 0.00 0.00 143 Y 8.39 3.99 0.00 3.37 3.19 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 0.00 144 L 7.34 4.58 0.00 0.97 1.05 0.73 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 145 F 9.48 5.11 0.00 2.74 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 0.00 146 E 8.56 5.25 0.00 1.93 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 2.18 2.15 0.00 147 M 8.58 5.40 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.31 0.00 148 D 8.88 5.55 0.00 2.72 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 0.00 149 S 8.60 5.10 0.00 3.91 3.68 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 0.00 150 S 8.92 4.49 0.00 4.05 4.31 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 0.00 0.00 0.00 0.00 151 L 7.91 4.07 0.00 1.71 1.79 0.99 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 152 A 7.77 4.41 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 0.00 153 C 7.72 4.78 0.00 3.10 3.01 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 0.00 154 S 8.18 4.13 0.00 3.87 3.70 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 * Residues marked with a * may have inaccurate shift predictions.