NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4190 8.4345 115.3053 58.7431 63.4462 173.6824 4 T 4.5402 8.6267 118.6171 60.8377 68.5890 172.4758 5 D 4.8679 7.8582 120.6062 54.3697 42.5933 177.1686 6 W 4.4950 8.2905 119.1431 59.9703 27.8239 177.9980 7 K 3.3513 6.4454 121.9312 59.6080 31.5122 179.5186 8 S 4.1039 7.6267 118.4330 63.2087 61.4831 177.6951 9 D 4.5871 7.9551 122.1027 57.3612 40.6061 179.0217 10 L 4.3675 8.2649 121.9320 58.5000 41.6137 180.3878 11 R 4.1098 8.1128 122.8298 62.0202 29.1616 180.8478 12 Q 4.6019 8.0688 118.0265 58.0990 28.0908 178.6182 13 R 4.5977 7.0054 113.3487 56.3856 31.6225 176.0637 14 G 3.6730 8.3560 105.8862 45.9250 0.0000 173.1047 15 Y 5.0922 8.1790 116.2726 55.7191 40.9627 175.4942 16 R 4.8372 8.4935 118.3739 54.4147 32.6809 174.2395 17 L 4.5826 8.6266 120.3425 53.4713 43.1126 177.4489 18 T 4.2255 8.2587 114.2028 60.4764 70.9592 173.5169 19 P 4.2425 0.0000 0.0000 66.2950 31.3763 178.9685 20 Q 4.0683 8.0776 115.7551 58.9725 28.5657 179.0691 21 R 3.9371 7.4991 118.8764 59.0950 30.0693 178.9853 22 Q 3.7604 8.3215 118.2187 58.6836 28.5786 178.6070 23 L 3.9379 8.2595 120.5406 57.8630 41.6901 179.8141 24 V 3.4788 7.5408 117.6342 65.7423 31.4435 177.8544 25 L 3.7897 7.7325 120.2073 57.9593 41.7871 178.5437 26 E 3.8311 8.4589 119.5052 59.1378 29.5895 178.5542 27 A 3.9042 8.1953 121.1181 55.3185 18.0484 179.8302 28 V 3.6939 7.8451 116.6526 65.8804 31.2910 177.8593 29 D 4.2073 7.7033 117.1151 57.7106 41.2578 178.0976 30 T 4.0394 8.3995 115.4044 66.6843 68.5549 176.5545 31 L 4.2747 8.4409 122.5662 55.5691 41.7164 174.5621 32 E 3.6555 7.9676 121.6315 56.3091 28.9817 175.9456 33 H 4.1091 8.7347 122.6900 55.8121 26.3942 175.2633 34 A 4.5325 7.5422 121.4745 51.8719 19.7561 177.9176 35 T 4.8395 8.6640 112.5415 59.9160 72.0396 174.3300 36 P 4.0361 0.0000 0.0000 66.0858 31.2602 178.4454 37 D 4.2291 7.9827 116.1709 57.1343 41.1825 177.8560 38 D 4.3428 7.9800 119.4990 57.4120 40.8022 178.6864 39 I 3.6280 8.0065 120.6297 64.2002 37.0676 178.0606 40 L 3.9344 7.9456 121.2984 58.1408 41.6564 179.2807 41 G 3.5814 7.8390 104.0896 47.7932 0.0000 174.9189 42 E 4.0601 8.2908 122.1530 59.0320 29.6221 179.1389 43 V 3.6138 8.1769 118.6301 65.8816 31.1803 178.1236 44 R 4.5298 7.9490 119.0684 58.2264 29.6177 178.6545 45 K 4.2149 7.7457 116.9589 58.4111 31.9852 177.5025 46 T 4.3534 7.6895 113.4048 64.0588 71.1451 173.8309 47 A 4.6158 8.0709 126.0970 49.4941 19.0105 176.2951 48 S 4.2874 7.8231 116.3728 60.8970 63.5047 177.2516 49 G 3.9522 8.0029 106.5759 45.7321 0.0000 172.6111 50 I 4.1884 7.2557 120.1518 59.4917 38.9939 175.2780 51 N 4.9384 8.1247 123.7841 51.0426 41.0672 175.7205 52 I 3.4831 8.0163 119.9469 63.7971 37.9590 177.8968 53 S 4.3764 7.9930 115.1020 61.7703 62.8344 176.4905 54 T 3.8671 7.7846 118.8924 66.2891 68.2138 176.7362 55 V 3.4603 7.3139 120.1372 65.9276 31.4620 177.7789 56 Y 4.2167 8.0377 117.0142 61.2003 37.7383 178.7701 57 R 4.2709 8.1339 120.3473 59.0407 30.1936 179.2302 58 T 3.8519 8.0625 115.6848 66.5849 68.3667 176.7193 59 L 3.8713 7.8017 120.8949 57.5769 41.3733 179.3505 60 E 3.9412 8.1004 118.5541 59.2784 29.3730 179.0573 61 L 3.9201 8.2436 120.5077 58.3574 42.2540 178.9673 62 L 3.8779 8.3300 119.0991 57.6961 41.4871 179.3533 63 E 4.7207 8.3154 120.6789 58.9462 29.4546 178.4940 64 E 3.9495 8.0932 118.1044 59.0343 29.7369 178.0378 65 L 4.1085 7.8750 119.2491 56.0696 42.3206 177.5630 66 G 4.0388 8.0410 106.5255 45.1686 0.0000 174.2964 67 L 4.2759 7.9514 119.8671 56.5392 42.9582 177.0558 68 V 4.9274 7.7365 117.1296 61.2774 35.2542 174.5546 69 S 5.1137 9.2344 120.4067 57.2877 67.6975 172.5389 70 H 5.1913 8.4980 115.9662 53.9904 31.5892 172.4743 71 A 4.4651 8.3266 119.1310 50.9989 23.1137 174.8979 72 H 5.1383 9.5615 118.4255 53.8815 30.9986 174.4020 73 L 4.8578 8.7058 122.3281 54.0269 42.5484 177.3383 74 G 3.8137 8.6999 114.7230 48.5087 0.0000 172.7458 75 H 3.7828 9.3103 117.9544 56.0079 26.4682 175.5211 76 G 3.8783 8.2116 105.9293 45.8301 0.0000 173.7184 77 A 4.3692 8.0256 122.8908 50.7682 19.3568 176.0883 78 P 4.6825 0.0000 0.0000 62.6541 32.5976 175.8436 79 T 4.7975 8.9044 112.6868 60.1519 72.0418 172.2253 80 Y 5.1602 9.2009 121.5633 56.9820 40.7430 174.3818 81 H 5.2272 8.8455 117.2417 53.9945 32.9881 172.5482 82 L 4.5429 8.6295 118.6266 54.5282 42.0834 178.2439 83 A 3.9703 8.8579 128.8673 56.1800 18.4136 179.5147 84 D 4.4806 8.2410 115.0912 55.3898 40.3145 179.8493 85 R 4.5223 7.7937 115.2245 55.6786 31.7232 180.1698 86 H 4.0051 8.4487 111.7507 59.4945 26.0265 177.8148 *87 H 4.5761 7.7795 115.6169 52.4958 26.7111 175.5075 88 H 4.7191 7.3580 119.4710 55.1025 31.5668 172.9724 89 I 4.4773 8.2662 118.9619 60.2924 39.2175 174.9289 90 H 5.2386 8.7916 123.6338 54.4824 31.2824 174.0160 91 L 5.0902 8.7887 122.7175 53.0501 44.3016 175.6640 92 V 4.3595 8.8525 126.0417 61.8766 33.0073 174.9903 93 C 4.5338 8.3224 127.7875 59.8125 29.1884 175.5970 94 R 4.0368 8.3667 123.5954 58.3132 28.5369 174.4146 95 D 4.5934 8.0178 122.2661 55.2081 47.3800 180.0405 96 C 4.2629 8.1704 122.3242 59.9139 32.5652 175.0677 97 T 4.3871 8.4138 123.3910 60.6005 65.5361 172.3945 98 N 5.1883 7.5742 122.7244 51.5730 42.8438 176.4198 99 V 4.6788 8.5007 122.9975 60.4899 33.7020 174.3741 100 I 4.3821 8.3070 128.3289 59.6431 39.6217 173.9572 101 E 4.9732 8.7789 128.8406 55.3408 30.9795 175.5018 102 A 4.6658 8.9400 125.5795 49.6167 22.7554 174.7259 103 D 4.7408 8.9679 121.6526 54.8060 41.7439 177.5798 104 L 4.2562 8.8889 125.4899 57.6556 41.1108 179.1196 105 S 4.1401 9.2853 115.7858 61.3535 63.0636 176.7540 106 V 3.8713 7.7319 116.2527 63.4627 30.7094 176.3854 107 A 4.6822 7.9996 118.4765 51.3487 20.4190 178.9492 108 A 4.0479 9.0155 123.9413 56.8691 18.2994 180.5730 109 D 4.3340 8.0820 116.6749 57.5061 41.1206 178.1386 110 F 4.2647 8.4647 120.9414 61.9613 39.1505 177.0368 111 T 3.7222 8.1779 108.6989 64.8251 68.4023 176.0215 112 A 3.9948 7.8264 125.8767 55.4911 18.5447 180.1798 113 K 3.9440 8.8255 125.1000 60.6525 31.6985 181.6996 114 L 4.4867 7.9012 125.3994 60.2524 40.9935 182.3911 115 R 4.6160 8.3666 126.0325 61.4303 28.8188 179.7594 116 E 4.5696 8.2802 119.0316 60.6858 29.8914 182.5351 117 Q 4.0934 8.0627 123.8275 59.3893 28.3761 179.8422 118 F 4.9974 7.5797 112.1001 56.1931 41.4750 174.6968 119 G 4.3867 7.9140 107.0864 47.7614 0.0000 173.5362 120 F 4.7600 8.2932 121.2873 55.9014 41.3041 172.9154 121 D 4.6876 8.1483 127.8577 52.7402 41.9840 175.1239 122 T 4.5040 7.9567 120.2959 60.0928 70.6024 172.9527 123 D 4.4307 8.6507 125.6581 54.3458 40.1901 177.5899 124 M 3.4499 7.9214 116.4312 55.1956 30.5750 177.5049 125 K 4.3439 8.6969 118.8063 59.2710 33.1285 177.2566 126 H 3.9797 8.4760 118.4134 58.8591 30.1986 174.2871 127 F 5.3997 7.9406 113.8339 55.5466 41.4471 175.4736 128 A 4.6253 8.3140 122.8758 51.7612 20.0981 176.6514 129 I 4.5134 8.5509 119.5044 59.6605 39.7273 175.1220 130 F 5.0682 8.8352 129.7647 57.5346 40.7923 175.3046 131 G 3.8458 7.3355 112.5928 47.1272 0.0000 172.3833 132 R 4.7376 8.7044 120.3975 54.9320 31.9877 171.6209 133 C 4.8673 8.2731 120.5788 55.5183 30.8779 174.1083 134 E 4.1070 8.9499 121.2948 57.5892 29.5983 174.1394 135 S 4.3861 7.4453 115.2597 58.8825 63.2618 173.9148 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 S 8.43 4.42 0.00 3.92 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 4 T 8.63 4.54 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 5 D 7.86 4.87 0.00 2.67 2.66 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 0.00 0.00 0.00 0.00 6 W 8.29 4.50 0.00 3.63 3.41 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 7 K 6.45 3.35 0.00 0.79 1.13 0.00 1.35 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.18 0.97 7.81 8 S 7.63 4.10 0.00 3.78 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 9 D 7.96 4.59 0.00 2.94 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 0.00 10 L 8.26 4.37 0.00 1.90 2.15 1.23 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.11 4.11 0.00 1.86 1.94 0.00 3.27 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 12 Q 8.07 4.60 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 13 R 7.01 4.60 0.00 2.02 1.91 0.00 3.26 0.00 0.00 3.47 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 14 G 8.36 3.67 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 0.00 0.00 0.00 15 Y 8.18 5.09 0.00 2.96 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 16 R 8.49 4.84 0.00 1.95 1.92 0.00 3.07 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 17 L 8.63 4.58 0.00 1.84 1.67 0.96 0.45 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 18 T 8.26 4.23 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 1.23 0.00 0.00 19 P 0.00 4.24 0.00 2.18 2.17 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 20 Q 8.08 4.07 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 21 R 7.50 3.94 0.00 2.12 1.89 0.00 3.10 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 22 Q 8.32 3.76 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.78 0.00 23 L 8.26 3.94 0.00 1.84 1.67 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.54 3.48 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 0.85 0.00 0.00 0.87 0.00 0.00 25 L 7.73 3.79 0.00 1.59 1.48 0.69 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.46 3.83 0.00 1.99 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 0.00 2.29 2.32 0.00 27 A 8.20 3.90 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 28 V 7.85 3.69 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 1.06 0.00 0.00 0.91 0.00 0.00 29 D 7.70 4.21 0.00 2.80 2.90 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 30 T 8.40 4.04 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 31 L 8.44 4.27 0.00 1.77 1.75 0.92 0.97 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 32 E 7.97 3.66 0.00 2.13 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 2.15 2.13 0.00 33 H 8.73 4.11 0.00 3.28 3.37 0.00 5.68 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 34 A 7.54 4.53 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 35 T 8.66 4.84 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 1.29 0.00 0.00 36 P 0.00 4.04 0.00 2.09 1.79 0.00 3.75 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.22 0.00 37 D 7.98 4.23 0.00 2.76 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.98 4.34 0.00 2.98 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 39 I 8.01 3.63 1.93 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.81 0.80 0.00 0.00 40 L 7.95 3.93 0.00 1.71 1.79 0.82 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 41 G 7.84 3.58 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 0.00 0.00 0.00 42 E 8.29 4.06 0.00 2.07 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 0.00 2.29 2.34 0.00 43 V 8.18 3.61 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 1.02 0.00 0.00 0.91 0.00 0.00 44 R 7.95 4.53 0.00 2.10 1.95 0.00 3.15 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.60 0.00 45 K 7.75 4.21 0.00 1.78 1.86 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.70 7.81 46 T 7.69 4.35 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 47 A 8.07 4.62 1.20 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 48 S 7.82 4.29 0.00 4.00 4.13 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 49 G 8.00 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 50 I 7.26 4.19 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.86 0.94 0.00 0.00 51 N 8.12 4.94 0.00 2.90 2.88 0.00 0.00 5.84 7.68 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 52 I 8.02 3.48 1.72 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.92 0.89 0.00 0.00 53 S 7.99 4.38 0.00 4.15 4.17 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 54 T 7.78 3.87 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 1.17 0.00 0.00 55 V 7.31 3.46 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 0.80 0.00 0.00 0.84 0.00 0.00 56 Y 8.04 4.22 0.00 3.16 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 57 R 8.13 4.27 0.00 1.86 1.97 0.00 3.15 0.00 0.00 3.26 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 58 T 8.06 3.85 4.14 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 0.00 0.00 0.00 1.11 0.00 0.00 59 L 7.80 3.87 0.00 1.60 1.24 0.11 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.10 3.94 0.00 2.20 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 2.33 2.33 0.00 61 L 8.24 3.92 0.00 1.64 1.75 0.78 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.33 3.88 0.00 1.59 1.63 0.78 0.68 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 63 E 8.32 4.72 0.00 2.22 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 2.39 0.00 64 E 8.09 3.95 0.00 1.97 2.09 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 2.29 2.32 0.00 65 L 7.88 4.11 0.00 1.79 1.63 0.47 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.04 4.04 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 0.00 0.00 0.00 67 L 7.95 4.28 0.00 1.60 1.67 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.74 4.93 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 1.14 0.00 0.00 0.89 0.00 0.00 69 S 9.23 5.11 0.00 3.60 3.58 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 70 H 8.50 5.19 0.00 2.31 2.59 0.00 5.52 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.33 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 9.56 5.14 0.00 3.34 3.37 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 73 L 8.71 4.86 0.00 1.61 1.26 0.78 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.70 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 75 H 9.31 3.78 0.00 3.32 3.38 0.00 5.78 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 76 G 8.21 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 0.00 0.00 0.00 77 A 8.03 4.37 1.32 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 0.00 0.00 0.00 78 P 0.00 4.68 0.00 1.67 1.73 0.00 3.74 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 2.02 1.96 0.00 79 T 8.90 4.80 4.21 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 1.15 0.00 0.00 80 Y 9.20 5.16 0.00 2.87 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 81 H 8.85 5.23 0.00 3.25 3.35 0.00 5.26 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.63 4.54 0.00 1.68 1.66 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.86 3.97 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 84 D 8.24 4.48 0.00 2.71 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.79 4.52 0.00 1.82 1.76 0.00 3.39 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.00 86 H 8.45 4.01 0.00 2.96 3.15 0.00 5.66 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *87 H 7.78 4.58 0.00 2.92 2.88 0.00 7.24 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 H 7.36 4.72 0.00 3.27 3.28 0.00 5.47 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.27 4.48 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.79 0.95 0.00 0.00 90 H 8.79 5.24 0.00 3.17 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.79 5.09 0.00 1.75 1.55 0.97 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.85 4.36 2.34 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 1.18 0.00 0.00 1.01 0.00 0.00 93 C 8.32 4.53 0.00 3.07 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 94 R 8.37 4.04 0.00 1.59 1.81 0.00 3.30 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 95 D 8.02 4.59 0.00 2.64 2.51 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 0.00 0.00 0.00 96 C 8.17 4.26 0.00 2.92 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 97 T 8.41 4.39 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 98 N 7.57 5.19 0.00 2.34 2.63 0.00 0.00 6.22 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 99 V 8.50 4.68 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 1.02 0.00 0.00 0.97 0.00 0.00 100 I 8.31 4.38 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.24 0.98 0.00 0.00 101 E 8.78 4.97 0.00 1.75 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 102 A 8.94 4.67 1.18 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 0.00 0.00 103 D 8.97 4.74 0.00 2.73 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.89 4.26 0.00 1.90 1.94 0.93 0.59 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 0.00 105 S 9.29 4.14 0.00 4.00 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 0.00 106 V 7.73 3.87 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 0.76 0.00 0.00 0.97 0.00 0.00 107 A 8.00 4.68 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 0.00 108 A 9.02 4.05 1.42 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 0.00 0.00 109 D 8.08 4.33 0.00 2.86 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 0.00 110 F 8.46 4.26 0.00 3.14 3.32 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 0.00 111 T 8.18 3.72 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 1.42 0.00 0.00 112 A 7.83 3.99 1.42 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 0.00 0.00 113 K 8.83 3.94 0.00 1.73 1.85 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.34 7.81 114 L 7.90 4.49 0.00 1.66 1.70 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.37 4.62 0.00 1.79 1.99 0.00 3.21 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.39 0.00 116 E 8.28 4.57 0.00 1.98 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 2.19 2.18 0.00 117 Q 8.06 4.09 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 118 F 7.58 5.00 0.00 3.18 3.03 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 0.00 0.00 0.00 119 G 7.91 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.29 4.76 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 0.00 121 D 8.15 4.69 0.00 2.53 2.36 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 0.00 122 T 7.96 4.50 4.15 0.00 0.00 0.00 0.00 0.00 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 0.00 123 D 8.65 4.43 0.00 2.79 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 0.00 124 M 7.92 3.45 0.00 2.29 2.43 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.79 0.00 125 K 8.70 4.34 0.00 1.69 1.84 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.60 1.37 7.81 126 H 8.48 3.98 0.00 3.03 2.81 0.00 5.82 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 F 7.94 5.40 0.00 3.04 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 0.00 128 A 8.31 4.63 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 0.00 129 I 8.55 4.51 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 1.16 0.80 0.91 0.00 0.00 130 F 8.84 5.07 0.00 2.94 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 0.00 131 G 7.34 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 0.00 0.00 0.00 132 R 8.70 4.74 0.00 1.82 1.69 0.00 3.21 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.16 0.00 133 C 8.27 4.87 0.00 2.70 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 0.00 134 E 8.95 4.11 0.00 1.98 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 2.23 1.88 0.00 135 S 7.45 4.39 0.00 4.09 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 * Residues marked with a * may have inaccurate shift predictions.