NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4854 8.3049 120.3305 55.4493 33.3620 174.3491 2 M 4.5455 8.5715 123.1423 52.8026 34.8077 170.0159 3 V 4.3114 8.3161 122.1733 60.9671 34.0705 174.2485 4 W 4.7339 8.9457 135.0000 57.5179 31.1645 175.3281 5 T 4.1529 8.4946 124.0054 61.4541 66.8611 172.7815 6 P 4.4298 0.0000 0.0000 64.0427 32.1862 176.1998 7 V 4.0901 7.1748 118.4761 61.0919 32.9512 175.0024 8 N 4.6141 8.4148 123.8079 52.8546 38.0720 174.2167 9 N 5.0044 8.1466 127.3452 52.7607 39.8177 174.6326 10 K 3.8893 8.1830 115.3972 56.4063 32.7391 176.3420 11 M 4.8539 7.9840 120.8346 53.7877 35.2844 175.1259 12 F 4.9713 8.3844 116.8536 57.3768 41.1399 176.6714 13 E 3.5395 8.4235 121.1787 56.9576 27.7345 174.8184 14 T 3.7785 8.3767 120.6211 66.6549 68.9060 174.2408 15 F 4.5555 9.0246 123.8265 57.6797 36.8313 176.3868 16 S 4.5183 8.1636 114.5188 60.2931 63.0521 174.4570 17 Y 4.4039 8.2972 117.4959 58.2090 38.1181 175.1273 18 L 4.6653 7.6695 120.7667 52.0912 43.4602 174.5549 19 P 4.4089 0.0000 0.0000 62.1397 31.6046 174.5881 20 P 4.3326 0.0000 0.0000 62.7976 31.7997 176.3248 21 L 4.0370 8.3684 122.5930 54.7201 42.1983 177.9902 22 T 4.2291 8.2269 114.0522 61.2115 71.0880 175.2520 23 D 4.3461 8.5576 121.0342 57.6414 40.8947 178.7995 24 E 3.9526 8.0879 119.2896 59.1947 29.6990 178.7784 25 Q 3.9168 7.8861 117.8397 58.7807 28.6938 178.5379 26 I 3.6929 7.9865 120.7808 64.4863 37.2210 178.2577 27 A 4.0142 8.2445 121.3225 55.2360 18.1503 179.5909 28 A 3.9895 7.8980 119.0050 55.3126 18.4222 179.8897 29 Q 4.0752 8.1072 116.7008 59.0604 28.8075 179.0821 30 V 3.7293 8.2409 119.4709 66.2220 31.6133 177.6357 31 D 4.4183 8.3103 118.5835 57.6077 40.5765 178.1221 32 Y 4.2079 8.0798 119.7298 60.9000 38.8727 178.1920 33 I 3.7792 7.9448 120.5348 64.6559 37.4339 178.6046 34 V 3.5379 7.9275 118.5411 65.9503 31.1674 177.9342 35 A 3.9625 8.3009 119.5970 54.3689 18.2553 178.3167 36 N 4.1092 7.1567 112.5665 52.3020 38.8095 175.9689 37 G 3.7633 7.1794 107.9160 45.6765 0.0000 173.7955 38 W 4.9703 7.4075 118.6310 55.9825 30.7925 176.1742 39 I 4.4488 8.9607 123.5641 59.5215 37.7731 173.9296 40 P 4.8977 0.0000 0.0000 63.0866 32.9107 174.8145 41 C 5.0046 8.9692 120.7340 58.4153 35.7013 172.3177 42 L 5.3535 8.7546 123.3892 53.1520 44.5864 175.2199 43 E 5.6011 9.1954 121.2690 54.8226 34.0470 174.6980 44 F 5.6228 9.4579 116.4957 55.4559 42.2537 173.1963 45 A 4.5129 9.0454 121.4305 50.4723 21.6159 176.8183 46 T 4.5128 8.6030 111.3384 61.5884 71.0947 174.6351 47 D 4.8235 7.0671 120.1616 54.6674 41.1241 178.9029 48 H 4.2714 8.8944 127.8852 56.9203 28.4778 174.8817 49 G 2.8630 8.2221 112.6687 45.1171 0.0000 172.8295 50 F 5.1012 7.3831 117.1108 54.8045 42.6305 174.8855 51 V 4.1697 8.4309 122.9896 64.0404 32.1716 174.4136 52 Y 4.9409 8.6740 123.8687 56.5656 42.0681 173.5019 53 R 4.7199 8.7197 117.2371 55.2659 32.2561 174.5993 54 E 4.4418 9.6494 124.6622 57.9806 30.7459 176.9650 55 H 4.6534 8.2920 112.4947 57.0609 29.5425 174.1706 56 H 4.4309 7.4937 116.2227 55.6659 32.0274 172.5601 57 N 4.9112 7.8393 117.2882 52.3447 40.6545 175.1400 58 S 4.3550 7.5427 113.6019 56.5804 64.1650 171.6920 59 P 4.3136 0.0000 0.0000 64.5164 31.2269 177.2224 60 G 3.9500 8.8101 110.4332 45.6298 0.0000 172.1520 61 Y 4.3049 7.4844 120.9856 56.1158 39.8533 174.3850 62 Y 4.5221 6.9827 123.0364 56.5100 42.2746 174.3952 63 D 4.3130 8.5823 123.7689 54.2230 42.0247 177.8188 64 G 4.2758 8.6186 109.1350 45.5866 0.0000 174.9942 65 R 3.8730 7.6041 118.4589 59.0354 30.3403 176.9174 66 Y 4.4005 7.7067 114.8703 57.5557 38.4946 174.9660 67 W 5.0384 8.5800 124.0447 55.2848 32.4930 175.1718 68 T 4.1661 8.0944 117.5406 63.2126 69.0095 174.5740 69 M 4.6076 8.5478 126.3336 55.0915 33.4118 175.2997 70 W 4.8642 9.5885 135.0000 56.0554 31.3120 176.9893 71 K 3.5346 8.6565 129.2950 57.4642 30.4248 178.6435 72 L 4.9321 8.3303 124.1732 52.7101 45.2908 173.9887 73 P 4.3309 0.0000 0.0000 63.5170 31.8742 177.5759 74 M 4.3259 8.4522 123.2221 53.8432 30.3924 175.1572 75 F 4.3427 7.6616 119.5196 58.5278 39.9985 176.4774 76 G 3.9956 9.1015 112.3832 45.7033 0.0000 173.0386 77 C 4.3284 7.7777 121.0266 59.4138 31.8297 173.1790 78 R 4.5125 8.6573 124.3933 55.6792 31.1048 174.8633 79 D 4.7975 7.8161 119.2156 51.4896 41.7966 174.3694 80 P 4.3220 0.0000 0.0000 66.4259 30.8689 178.0572 81 M 4.0909 8.2172 117.9275 58.2585 31.8541 178.6502 82 Q 4.0092 8.1564 117.7523 58.9093 28.9027 179.0693 83 V 3.5950 7.7792 118.5925 66.1691 31.5499 177.7901 84 L 4.0335 8.0028 118.5987 58.0276 41.3652 179.8553 85 R 3.9700 8.3725 118.1873 59.3009 29.9193 178.9898 86 E 4.1176 8.3342 118.4655 59.2510 29.3850 179.3811 87 I 3.5551 7.7436 120.0969 64.2862 37.1485 178.6155 88 V 3.4729 7.5501 118.8628 65.7677 31.3511 177.8787 89 A 3.9336 8.0895 120.6302 55.2891 18.2923 179.1334 90 C 2.0000 7.6254 117.6198 62.0953 31.3264 175.9780 91 T 3.7665 7.6219 111.1595 64.3059 67.9721 176.4331 92 K 3.8206 7.7517 121.9734 59.2925 32.3214 178.4423 93 A 3.9700 7.7293 120.0269 53.5318 19.9640 177.6586 94 F 4.6850 7.6976 115.6361 55.1011 39.2696 173.8239 95 P 4.6483 0.0000 0.0000 64.1692 31.8600 177.8160 96 D 4.6163 7.9903 116.8389 53.9401 41.3142 175.7150 97 A 4.5813 7.4456 121.2289 50.7887 20.6123 177.2483 98 Y 4.2696 8.3621 117.8791 57.9999 39.3034 175.4276 99 V 5.2299 9.1325 123.4763 61.1972 35.4261 174.2838 100 R 5.0035 9.5260 123.3788 54.3434 33.2901 173.5942 101 L 4.8204 7.9432 123.4099 54.1166 43.7938 175.7115 102 V 4.7987 8.6679 118.0390 59.6031 36.5683 174.0735 103 A 4.9046 8.1493 121.6950 50.4073 22.8903 175.1671 104 F 5.2178 9.1948 119.0005 55.6728 42.6948 173.9667 105 D 5.3632 8.7504 122.4715 52.7461 42.3345 176.6488 106 N 4.7057 9.1378 123.0830 54.3729 38.4282 176.6108 107 Q 4.1327 8.3120 118.3337 59.2274 28.8175 177.7628 108 K 4.0670 8.0843 114.1102 56.8795 32.8070 176.9288 109 Q 3.3400 7.9687 116.2902 55.9265 26.9317 172.5117 110 V 4.4531 7.8334 117.7622 59.7829 34.8932 174.0459 111 Q 4.4344 8.7728 123.2632 56.6292 29.2224 175.6081 112 I 4.2266 7.7156 124.6366 60.9113 39.6271 174.2673 113 M 4.4360 6.6571 117.0591 54.9817 34.0826 173.6835 114 G 4.8532 8.3904 106.6867 47.2659 0.0000 172.3521 115 F 5.0295 7.0685 115.2406 55.2654 41.0444 172.8870 116 L 4.5796 8.8815 122.9808 55.6257 42.1300 176.8003 117 V 4.5415 8.9944 117.9351 61.5258 33.9280 175.6682 118 Q 4.6854 7.8538 121.1432 54.6470 32.3136 173.1481 119 R 4.6217 8.2390 121.4598 53.1804 32.6514 173.4888 120 P 4.1419 0.0000 0.0000 62.6331 32.2429 176.8694 121 K 4.0550 7.6661 122.4381 55.3303 31.4273 176.5947 *127 Q 4.0407 8.2870 122.3263 54.5960 30.0576 173.7746 128 P 4.1527 0.0000 0.0000 62.6010 31.9564 177.0006 129 A 4.0854 8.7042 124.5478 54.4818 18.2905 177.9358 130 N 4.8659 7.9682 110.1129 52.8565 38.9484 175.2682 131 K 4.3523 7.8054 117.8853 56.7063 32.1923 177.7413 132 R 3.7935 7.5993 120.3294 57.5880 30.9204 176.2139 133 S 5.7520 7.6428 111.8117 55.5652 66.3286 174.6502 134 V 4.1012 8.0403 112.9872 61.8242 32.1550 175.0828 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 8.30 4.49 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 2 M 8.57 4.55 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 3 V 8.32 4.31 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 1.02 0.00 0.00 0.97 0.00 0.00 4 W 8.95 4.73 0.00 3.47 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.49 4.15 4.09 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 0.00 0.00 0.00 1.03 0.00 0.00 6 P 0.00 4.43 0.00 2.22 2.18 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 7 V 7.17 4.09 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 0.74 0.00 0.00 0.90 0.00 0.00 8 N 8.41 4.61 0.00 2.71 2.75 0.00 0.00 6.72 7.79 0.00 0.00 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 N 8.15 5.00 0.00 2.72 2.63 0.00 0.00 7.26 6.68 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 10 K 8.18 3.89 0.00 1.79 1.26 0.00 0.61 0.00 0.00 0.97 0.00 0.00 2.32 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.18 1.14 7.81 11 M 7.98 4.85 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 12 F 8.38 4.97 0.00 3.14 3.09 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 0.00 0.00 0.00 0.00 13 E 8.42 3.54 0.00 2.15 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 2.27 2.17 0.00 14 T 8.38 3.78 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 0.17 0.00 0.00 15 F 9.02 4.56 0.00 3.32 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 16 S 8.16 4.52 0.00 4.17 4.27 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 17 Y 8.30 4.40 0.00 3.02 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 18 L 7.67 4.67 0.00 1.85 1.61 0.85 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.41 0.00 2.17 2.07 0.00 3.80 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 1.98 2.00 0.00 20 P 0.00 4.33 0.00 2.07 2.07 0.00 3.69 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 2.05 2.15 0.00 21 L 8.37 4.04 0.00 1.65 1.54 0.45 0.64 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 22 T 8.23 4.23 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 23 D 8.56 4.35 0.00 2.71 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 24 E 8.09 3.95 0.00 2.02 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 2.35 2.39 0.00 25 Q 7.89 3.92 0.00 2.32 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 26 I 7.99 3.69 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.77 1.10 0.00 0.00 27 A 8.24 4.01 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 28 A 7.90 3.99 1.38 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 29 Q 8.11 4.08 0.00 2.45 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.74 0.00 0.00 0.00 0.00 0.00 2.30 1.83 0.00 30 V 8.24 3.73 2.30 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 1.15 0.00 0.00 1.06 0.00 0.00 31 D 8.31 4.42 0.00 2.97 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 32 Y 8.08 4.21 0.00 3.17 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 0.00 33 I 7.94 3.78 2.18 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.37 1.04 0.00 0.00 34 V 7.93 3.54 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 0.95 0.00 0.00 35 A 8.30 3.96 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 36 N 7.16 4.11 0.00 1.44 1.42 0.00 0.00 7.04 8.99 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 37 G 7.18 3.76 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 0.00 0.00 0.00 38 W 7.41 4.97 0.00 3.37 3.08 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 0.00 0.00 0.00 39 I 8.96 4.45 2.09 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.86 0.74 0.00 0.00 40 P 0.00 4.90 0.00 2.13 2.21 0.00 3.89 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 41 C 8.97 5.00 0.00 3.07 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 42 L 8.75 5.35 0.00 1.87 1.63 0.96 0.80 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 43 E 9.20 5.60 0.00 2.08 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 2.37 2.32 0.00 44 F 9.46 5.62 0.00 3.02 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 45 A 9.05 4.51 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.60 4.51 4.28 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 1.28 0.00 0.00 47 D 7.07 4.82 0.00 2.58 1.57 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 48 H 8.89 4.27 0.00 3.10 3.21 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.22 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 0.00 0.00 0.00 50 F 7.38 5.10 0.00 3.12 2.93 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 51 V 8.43 4.17 2.04 0.00 0.00 0.00 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 0.80 0.00 0.00 52 Y 8.67 4.94 0.00 3.08 3.07 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 53 R 8.72 4.72 0.00 1.73 1.93 0.00 3.24 0.00 0.00 3.15 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 54 E 9.65 4.44 0.00 2.20 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 2.02 2.27 0.00 55 H 8.29 4.65 0.00 3.27 3.36 0.00 5.99 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 H 7.49 4.43 0.00 2.31 1.66 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.84 4.91 0.00 2.55 2.67 0.00 0.00 6.96 7.57 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 58 S 7.54 4.35 0.00 3.99 3.94 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 59 P 0.00 4.31 0.00 2.06 2.06 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 2.02 2.09 0.00 60 G 8.81 3.95 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 0.00 0.00 0.00 61 Y 7.48 4.30 0.00 2.95 2.89 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 62 Y 6.98 4.52 0.00 2.72 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 63 D 8.58 4.31 0.00 1.58 2.01 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 64 G 8.62 4.28 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 65 R 7.60 3.87 0.00 1.45 1.62 0.00 3.01 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 66 Y 7.71 4.40 0.00 3.03 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 67 W 8.58 5.04 0.00 3.14 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 68 T 8.09 4.17 2.81 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 0.96 0.00 0.00 69 M 8.55 4.61 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.78 0.00 70 W 9.59 4.86 0.00 3.67 3.34 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 0.00 71 K 8.66 3.53 0.00 1.64 0.74 0.00 1.61 0.00 0.00 1.52 0.00 0.00 2.76 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.85 0.21 7.81 72 L 8.33 4.93 0.00 1.62 1.61 1.01 1.04 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 73 P 0.00 4.33 0.00 0.75 1.83 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.17 0.00 74 M 8.45 4.33 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.54 0.00 75 F 7.66 4.34 0.00 3.12 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 76 G 9.10 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 77 C 7.78 4.33 0.00 2.94 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 78 R 8.66 4.51 0.00 1.81 1.87 0.00 3.23 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 79 D 7.82 4.80 0.00 2.66 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 80 P 0.00 4.32 0.00 2.33 2.43 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 81 M 8.22 4.09 0.00 2.11 2.31 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 2.64 2.75 0.00 82 Q 8.16 4.01 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 83 V 7.78 3.60 2.26 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 1.11 0.00 0.00 1.02 0.00 0.00 84 L 8.00 4.03 0.00 1.92 1.73 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.37 3.97 0.00 2.04 2.02 0.00 3.15 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 86 E 8.33 4.12 0.00 2.25 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 2.59 2.67 0.00 87 I 7.74 3.56 2.03 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 1.36 0.70 0.87 0.00 0.00 88 V 7.55 3.47 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.95 0.00 0.00 89 A 8.09 3.93 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.63 2.00 0.00 1.23 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 0.00 0.00 0.00 0.00 91 T 7.62 3.77 4.28 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 1.15 0.00 0.00 92 K 7.75 3.82 0.00 1.86 1.93 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.39 7.81 93 A 7.73 3.97 1.13 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 0.00 0.00 94 F 7.70 4.69 0.00 2.81 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 95 P 0.00 4.65 0.00 2.11 2.10 0.00 3.25 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.86 0.00 96 D 7.99 4.62 0.00 2.65 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 97 A 7.45 4.58 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 98 Y 8.36 4.27 0.00 2.12 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 99 V 9.13 5.23 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 0.87 0.00 0.00 0.89 0.00 0.00 100 R 9.53 5.00 0.00 1.86 2.00 0.00 2.35 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.39 0.00 101 L 7.94 4.82 0.00 1.52 0.73 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.67 4.80 1.60 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 0.50 0.00 0.00 0.62 0.00 0.00 103 A 8.15 4.90 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.19 5.22 0.00 2.95 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 0.00 105 D 8.75 5.36 0.00 2.33 2.42 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 0.00 106 N 9.14 4.71 0.00 2.94 3.05 0.00 0.00 6.32 7.39 0.00 0.00 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 Q 8.31 4.13 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 108 K 8.08 4.07 0.00 1.75 1.86 0.00 1.94 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.45 7.81 109 Q 7.97 3.34 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 110 V 7.83 4.45 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 0.54 0.00 0.00 0.90 0.00 0.00 111 Q 8.77 4.43 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.19 2.00 0.00 112 I 7.72 4.23 1.25 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.40 -0.66 0.00 0.00 113 M 6.66 4.44 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 114 G 8.39 4.85 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 0.00 115 F 7.07 5.03 0.00 3.25 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 0.00 116 L 8.88 4.58 0.00 1.77 1.71 1.10 0.33 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 0.00 117 V 8.99 4.54 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 0.72 0.00 0.00 0.93 0.00 0.00 118 Q 7.85 4.69 0.00 2.03 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 119 R 8.24 4.62 0.00 1.50 1.63 0.00 3.15 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.49 0.00 120 P 0.00 4.14 0.00 1.71 1.88 0.00 2.56 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.56 0.00 121 K 7.67 4.05 0.00 1.72 1.75 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.34 7.81 *127 Q 8.29 4.04 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.15 0.00 128 P 0.00 4.15 0.00 2.13 2.00 0.00 3.58 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 2.10 2.11 0.00 129 A 8.70 4.09 1.31 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 0.00 0.00 130 N 7.97 4.87 0.00 2.81 2.91 0.00 0.00 6.04 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 0.00 131 K 7.81 4.35 0.00 1.72 1.78 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.36 7.81 132 R 7.60 3.79 0.00 1.22 0.66 0.00 2.88 0.00 0.00 3.06 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.55 0.00 133 S 7.64 5.75 0.00 3.89 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 0.00 134 V 8.04 4.10 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 0.62 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.