NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3567 8.3033 121.8006 55.9429 32.2908 176.4404 3 Q 5.0411 9.3075 124.4076 53.1030 30.0697 174.3496 4 Y 2.5644 8.6052 122.8368 57.6979 39.7975 174.1065 5 Y 5.4855 9.1899 125.3452 56.0724 40.7440 174.4400 6 G 4.0820 8.8022 113.6457 44.5796 0.0000 171.4309 7 T 4.4252 8.1390 122.7404 62.0434 69.0130 175.2787 8 G 3.7907 9.2082 114.9407 45.5068 0.0000 172.2840 9 R 5.7021 7.9671 124.7180 54.4057 32.5467 172.7149 10 R 5.0956 8.8868 135.0000 56.9224 32.7495 173.6147 11 K 3.9282 9.3152 128.9102 57.6379 30.1420 174.9912 12 E 4.0025 8.2750 115.9108 56.0460 28.4346 174.8588 13 A 5.5215 7.4709 120.5178 49.5989 21.8952 176.2395 14 V 4.7315 8.4661 119.7444 60.1700 35.2608 173.7878 15 A 4.9925 8.3299 128.9895 50.0086 22.1372 174.8683 16 R 4.3387 8.9137 123.2825 56.3533 31.2760 176.0434 17 V 4.1469 9.2763 125.6992 61.3637 33.3780 174.7744 18 F 6.2884 8.9914 125.6376 55.1492 43.6294 174.4845 19 L 4.7425 8.6007 120.0649 53.6092 44.4671 174.4895 20 R 4.7647 8.3755 123.6356 53.2484 29.7606 172.3792 21 P 4.2738 0.0000 0.0000 61.7583 33.6501 173.2928 22 G 4.3457 8.1472 117.6142 46.2528 0.0000 173.1897 23 N 4.6856 7.0607 122.5676 52.5017 41.1082 175.2454 24 G 4.5554 8.9378 105.5656 45.0979 0.0000 174.2958 25 K 3.8558 8.0122 118.0916 57.6526 33.5408 175.9753 26 V 4.7924 8.4521 122.2830 61.5543 34.1958 173.8791 27 T 4.7887 8.8208 125.2936 62.1950 70.7920 174.0890 28 V 4.3752 8.3531 125.9587 60.9630 34.3660 175.1599 29 N 4.1321 9.2057 128.6158 55.0005 35.8757 174.5916 30 G 4.0733 8.2943 98.4983 45.9291 0.0000 173.0383 31 Q 4.3833 7.6437 118.3236 53.7771 32.4890 173.2974 32 D 4.6625 9.2294 125.2999 54.4711 41.5949 176.3032 33 F 3.9569 9.2383 126.6427 62.3912 39.5531 176.6318 34 N 4.5331 8.1323 115.2426 53.4775 38.3133 175.4076 35 E 4.4257 7.8881 121.4780 57.4676 31.0970 176.5376 36 Y 4.4654 7.5012 118.3207 58.9167 39.5067 175.1197 37 F 4.9629 7.3935 117.3020 56.6806 39.2264 176.9243 38 Q 3.9909 7.7615 121.3092 58.3633 28.1850 175.1174 39 G 3.7896 8.8194 115.4500 46.0439 0.0000 172.3891 40 L 4.3914 7.5660 121.2146 52.0892 41.2788 177.3045 41 V 3.5106 8.1331 123.8229 65.3912 31.7055 176.7020 42 R 4.3178 7.7650 117.1973 56.0597 30.1614 176.3432 43 A 4.0801 8.0090 121.9883 54.5657 19.0017 180.6902 44 V 3.9176 7.9410 107.1454 63.7389 32.0756 176.9847 45 A 4.7630 8.1701 121.2223 53.0648 18.8910 179.0343 46 A 4.1149 8.4062 118.6996 54.3107 18.6403 178.2200 47 L 4.3424 7.7003 114.4225 55.3868 42.8863 178.1218 48 E 3.9337 7.7169 118.5985 58.4217 29.3500 177.3360 49 P 4.6357 0.0000 0.0000 65.5745 31.5423 178.2597 50 L 4.0343 8.1676 119.1796 57.6525 41.1107 179.6888 51 R 3.9737 7.7840 118.2061 59.1385 29.8354 178.7690 52 A 3.9663 8.0082 119.0947 54.6857 18.3493 177.8129 53 V 3.9405 8.4737 108.3487 60.5301 33.6620 175.7017 54 D 5.1128 8.3246 131.1929 54.8399 42.9657 178.0645 55 A 4.5003 7.4960 125.6569 51.9771 16.4901 178.3965 56 L 4.1731 7.9198 122.4694 55.8398 42.7423 177.5185 57 G 5.1862 7.0585 123.9974 48.5007 0.0000 173.1949 *58 H 4.7184 7.8498 115.1173 54.1928 28.3373 177.3633 59 F 4.9917 7.7136 117.4149 57.2750 43.8761 173.2085 60 D 5.3916 8.4916 119.2209 50.6890 41.0707 172.6496 61 A 4.4302 8.2587 121.2940 52.7464 19.9316 175.3930 62 Y 5.3694 8.8517 123.3168 57.0989 40.8675 174.8210 63 I 4.5137 8.9263 126.7801 59.8940 42.7283 174.5683 64 T 4.7860 8.3558 117.9774 60.7844 69.4994 172.3134 65 V 4.6275 8.7056 128.8231 60.1194 33.0672 177.1186 66 R 4.6376 9.0630 122.1666 52.2670 30.2366 173.3108 67 G 4.0742 9.3194 107.3307 44.7534 0.0000 170.8091 68 G 4.0610 9.6032 109.8230 43.7459 0.0000 177.1519 69 G 4.1917 8.6413 109.1007 41.5731 0.0000 172.2067 70 K 3.7124 8.6814 122.8737 59.9224 31.9118 179.4175 71 S 3.6995 7.8251 111.6481 60.7684 62.5746 176.2688 72 G 3.6458 7.7153 108.2544 47.6843 0.0000 175.2695 73 Q 4.0024 9.9141 120.8659 59.0439 28.9710 179.4417 74 I 3.6780 8.2893 120.9184 64.9235 36.8860 177.9686 75 D 4.3370 7.8455 118.2549 56.8402 41.0874 178.2780 76 A 4.4663 7.7435 122.1185 54.7279 18.3610 179.1573 77 I 3.5571 7.8261 118.0474 64.7458 37.4832 178.4342 78 K 3.6514 7.8663 119.4109 58.9552 31.6998 178.3231 79 L 4.1443 7.8533 120.6234 57.9435 41.9089 178.5228 80 G 3.7379 7.9272 105.0202 48.0716 0.0000 175.0624 81 I 3.6262 7.9059 123.1674 64.1715 36.9172 178.1693 82 A 4.1566 7.2968 119.3842 54.5621 17.4512 179.2102 83 R 4.1358 8.8450 114.3835 57.8537 29.7669 178.3512 84 A 4.8801 9.1844 124.9544 53.8762 19.0801 180.9611 85 L 4.9283 7.9313 118.1143 55.9100 41.2093 178.4015 86 V 4.6025 8.8344 119.0307 63.7544 34.5929 177.1483 87 Q 3.8943 7.6809 121.8652 59.5011 29.0629 177.3014 88 Y 3.6893 7.9090 111.0631 58.0147 37.8691 176.2233 89 N 5.1369 7.7956 112.6793 52.9565 41.7776 173.8136 90 P 4.8614 0.0000 0.0000 63.9036 32.1239 178.0165 91 D 4.4809 7.9375 118.8453 55.4629 39.7551 175.2164 92 Y 5.0407 8.5821 120.1064 57.3709 38.8043 173.6909 93 R 4.7587 8.7215 123.8603 56.6389 37.2183 176.4843 94 A 3.9811 8.0632 118.6855 54.6445 17.7037 178.5127 95 K 4.1792 7.7793 115.8367 58.3971 33.8654 178.4476 96 L 4.1122 7.9623 121.6353 57.7072 41.9215 177.8015 97 K 4.1188 7.9529 118.8560 57.9244 32.3065 176.2525 98 P 4.0267 0.0000 0.0000 66.4101 31.6289 178.1639 99 L 3.9018 7.2444 115.4381 55.4249 42.8485 176.7427 100 G 3.5483 7.8914 106.1613 46.4021 0.0000 173.5637 101 F 5.1237 8.2180 112.3487 57.0042 40.7590 176.1025 102 L 4.5836 7.3437 122.9747 53.9620 42.0872 175.0397 103 T 4.2966 7.7774 119.3373 63.1547 72.2217 173.5379 104 R 4.0983 8.7800 123.3496 57.2877 31.0317 175.6279 105 D 4.5910 8.0507 115.5353 54.2080 38.0814 174.3248 106 A 3.7334 7.7924 123.6888 54.5340 19.0577 178.1736 107 R 3.9661 7.1889 114.4429 57.0795 30.0890 176.6002 108 V 4.3461 8.2538 115.0734 59.9035 35.5699 174.2866 109 V 3.4360 7.9948 124.2408 62.0743 30.2836 175.2275 110 E 4.1344 8.4698 125.9649 55.3275 30.3651 176.8113 111 R 3.7806 8.4959 121.1223 56.7874 30.5341 175.3609 112 K 4.2671 8.4884 125.2380 55.6179 33.0183 176.1049 113 K 4.6092 8.3172 125.4240 54.4179 34.5126 175.6693 114 Y 4.3225 8.2748 119.4040 58.1159 38.5820 177.1488 115 G 4.0269 9.0238 108.2036 45.3434 0.0000 173.6843 116 K 4.7469 7.3238 116.4569 54.6232 35.7665 176.3084 117 H 4.3606 9.0700 119.9839 58.8216 29.5334 177.0340 118 K 4.5352 7.6177 116.8844 55.1280 33.1658 175.9761 119 A 4.2751 9.0264 124.3069 52.6910 18.2408 179.0659 120 R 4.6744 7.9228 109.5250 57.4316 36.7196 176.0182 121 R 4.1239 7.9038 118.6952 56.3650 27.5910 175.3325 122 A 4.4270 7.8385 124.9312 50.3870 19.4501 175.9780 123 P 4.2436 0.0000 0.0000 61.9730 32.1262 176.1362 124 Q 3.9645 8.4860 118.3629 56.3391 28.4209 176.2992 125 Y 4.4638 8.5749 124.6863 57.9269 39.6821 174.2507 126 S 4.4113 8.9905 120.4589 59.8658 65.3252 177.1526 127 K 3.9944 8.2504 119.5048 57.2969 32.2908 175.5399 128 R 4.0775 8.2852 119.2481 56.2882 29.3970 176.1292 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 E 8.30 4.36 0.00 2.21 1.95 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 2.34 2.41 0.00 3 Q 9.31 5.04 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 4 Y 8.61 2.56 0.00 2.68 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.19 5.49 0.00 3.25 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 6 G 8.80 4.08 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 0.00 0.00 0.00 7 T 8.14 4.43 4.18 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 1.24 0.00 0.00 8 G 9.21 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.97 5.70 0.00 1.89 1.80 0.00 3.38 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.33 0.00 10 R 8.89 5.10 0.00 1.99 1.87 0.00 3.70 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 11 K 9.32 3.93 0.00 1.87 1.77 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.43 7.81 12 E 8.27 4.00 0.00 2.17 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 0.00 2.17 2.23 0.00 13 A 7.47 5.52 1.26 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 0.00 0.00 14 V 8.47 4.73 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 1.27 0.00 0.00 0.98 0.00 0.00 15 A 8.33 4.99 1.19 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 0.00 0.00 16 R 8.91 4.34 0.00 1.54 1.87 0.00 3.35 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.59 0.00 17 V 9.28 4.15 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 0.85 0.00 0.00 0.85 0.00 0.00 18 F 8.99 6.29 0.00 3.25 2.92 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 0.00 0.00 0.00 19 L 8.60 4.74 0.00 1.59 1.65 0.37 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.38 4.76 0.00 1.83 1.87 0.00 3.73 0.00 0.00 3.47 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 21 P 0.00 4.27 0.00 1.79 1.55 0.00 3.73 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.50 0.00 22 G 8.15 4.35 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 0.00 23 N 7.06 4.69 0.00 2.66 2.86 0.00 0.00 7.35 8.11 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 24 G 8.94 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 25 K 8.01 3.86 0.00 1.86 2.01 0.00 1.46 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.59 7.81 26 V 8.45 4.79 1.79 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 1.06 0.00 0.00 0.67 0.00 0.00 27 T 8.82 4.79 4.49 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 1.36 0.00 0.00 28 V 8.35 4.38 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 0.99 0.00 0.00 1.03 0.00 0.00 29 N 9.21 4.13 0.00 2.28 2.60 0.00 0.00 7.06 7.21 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 30 G 8.29 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 31 Q 7.64 4.38 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.55 0.00 32 D 9.23 4.66 0.00 2.77 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 33 F 9.24 3.96 0.00 3.12 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 34 N 8.13 4.53 0.00 2.78 2.82 0.00 0.00 6.68 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 35 E 7.89 4.43 0.00 1.93 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 0.00 2.40 2.22 0.00 36 Y 7.50 4.47 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.39 4.96 0.00 2.58 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 38 Q 7.76 3.99 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.29 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 39 G 8.82 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.57 4.39 0.00 1.72 1.39 0.23 0.63 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 41 V 8.13 3.51 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 0.74 0.00 0.00 0.90 0.00 0.00 42 R 7.76 4.32 0.00 1.73 1.76 0.00 3.19 0.00 0.00 3.11 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 43 A 8.01 4.08 1.19 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 0.00 0.00 44 V 7.94 3.92 2.15 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 0.79 0.00 0.00 0.96 0.00 0.00 45 A 8.17 4.76 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 46 A 8.41 4.11 1.54 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 0.00 0.00 47 L 7.70 4.34 0.00 1.70 1.61 0.57 0.82 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 48 E 7.72 3.93 0.00 2.15 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 2.41 2.48 0.00 49 P 0.00 4.64 0.00 2.25 1.96 0.00 3.43 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.80 0.00 50 L 8.17 4.03 0.00 1.71 1.75 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 51 R 7.78 3.97 0.00 2.14 2.02 0.00 3.19 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 52 A 8.01 3.97 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 53 V 8.47 3.94 2.25 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 0.73 0.00 0.00 1.08 0.00 0.00 54 D 8.32 5.11 0.00 2.80 2.92 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 0.00 0.00 0.00 55 A 7.50 4.50 1.39 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 56 L 7.92 4.17 0.00 1.64 1.73 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.06 5.19 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 0.00 0.00 0.00 *58 H 7.85 4.72 0.00 2.85 3.04 0.00 7.16 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 7.71 4.99 0.00 2.78 2.79 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 0.00 0.00 0.00 0.00 60 D 8.49 5.39 0.00 2.86 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 61 A 8.26 4.43 1.17 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 0.00 0.00 62 Y 8.85 5.37 0.00 3.13 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 63 I 8.93 4.51 1.72 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.47 0.75 0.00 0.00 64 T 8.36 4.79 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 1.00 0.00 0.00 65 V 8.71 4.63 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 1.06 0.00 0.00 1.09 0.00 0.00 66 R 9.06 4.64 0.00 1.67 1.85 0.00 3.14 0.00 0.00 3.22 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 67 G 9.32 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 68 G 9.60 4.06 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 0.00 0.00 0.00 69 G 8.64 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 0.00 0.00 0.00 0.00 70 K 8.68 3.71 0.00 1.58 1.45 0.00 1.52 0.00 0.00 1.49 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.21 1.39 7.81 71 S 7.83 3.70 0.00 3.72 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 72 G 7.72 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 9.91 4.00 0.00 2.32 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.44 2.65 0.00 74 I 8.29 3.68 1.72 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.76 0.92 0.00 0.00 75 D 7.85 4.34 0.00 2.81 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 76 A 7.74 4.47 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 77 I 7.83 3.56 1.93 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 1.39 0.72 0.92 0.00 0.00 78 K 7.87 3.65 0.00 1.90 1.87 0.00 1.53 0.00 0.00 1.39 0.00 0.00 2.69 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 1.12 7.81 79 L 7.85 4.14 0.00 1.71 1.91 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.93 3.74 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 0.00 0.00 0.00 81 I 7.91 3.63 1.74 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.68 0.76 0.00 0.00 82 A 7.30 4.16 1.49 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 0.00 0.00 83 R 8.85 4.14 0.00 1.97 2.34 0.00 2.85 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 84 A 9.18 4.88 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 85 L 7.93 4.93 0.00 2.09 1.87 1.15 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.83 4.60 2.32 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 0.86 0.00 0.00 1.08 0.00 0.00 87 Q 7.68 3.89 0.00 2.53 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 7.06 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 88 Y 7.91 3.69 0.00 1.43 1.61 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.80 5.14 0.00 2.32 2.07 0.00 0.00 6.82 7.98 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 90 P 0.00 4.86 0.00 2.17 2.17 0.00 3.28 0.00 0.00 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.87 0.00 91 D 7.94 4.48 0.00 2.92 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 92 Y 8.58 5.04 0.00 3.08 2.94 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 93 R 8.72 4.76 0.00 1.89 1.86 0.00 3.30 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 94 A 8.06 3.98 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.78 4.18 0.00 1.90 1.89 0.00 1.36 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.98 1.28 7.81 96 L 7.96 4.11 0.00 1.84 1.74 1.08 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.95 4.12 0.00 1.86 1.69 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.50 7.81 98 P 0.00 4.03 0.00 2.12 2.01 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.19 0.00 99 L 7.24 3.90 0.00 1.42 1.03 0.77 0.84 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 0.00 100 G 7.89 3.55 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 0.00 101 F 8.22 5.12 0.00 2.99 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 0.00 102 L 7.34 4.58 0.00 1.84 1.60 0.95 0.97 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 0.00 103 T 7.78 4.30 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 1.25 0.00 0.00 104 R 8.78 4.10 0.00 1.75 1.94 0.00 3.28 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 105 D 8.05 4.59 0.00 2.86 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 0.00 106 A 7.79 3.73 1.30 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 0.00 107 R 7.19 3.97 0.00 1.85 1.93 0.00 3.18 0.00 0.00 3.48 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 108 V 8.25 4.35 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 0.99 0.00 0.00 109 V 7.99 3.44 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 0.80 0.00 0.00 0.92 0.00 0.00 110 E 8.47 4.13 0.00 2.12 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 2.28 2.30 0.00 111 R 8.50 3.78 0.00 1.77 1.90 0.00 3.19 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 112 K 8.49 4.27 0.00 1.76 1.69 0.00 1.95 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.48 7.81 113 K 8.32 4.61 0.00 1.86 1.88 0.00 1.88 0.00 0.00 1.97 0.00 0.00 3.15 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.47 7.81 114 Y 8.27 4.32 0.00 3.10 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 0.00 115 G 9.02 4.03 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 0.00 0.00 0.00 116 K 7.32 4.75 0.00 1.97 1.70 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.55 7.81 117 H 9.07 4.36 0.00 3.38 3.39 0.00 5.83 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.62 4.54 0.00 1.78 1.70 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.47 7.81 119 A 9.03 4.28 1.48 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 0.00 0.00 0.00 120 R 7.92 4.67 0.00 1.78 1.92 0.00 3.18 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 121 R 7.90 4.12 0.00 1.82 1.86 0.00 3.31 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 122 A 7.84 4.43 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 0.00 123 P 0.00 4.24 0.00 2.19 2.08 0.00 3.83 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 1.96 2.00 0.00 124 Q 8.49 3.96 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 125 Y 8.57 4.46 0.00 2.83 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 0.00 126 S 8.99 4.41 0.00 3.92 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 0.00 127 K 8.25 3.99 0.00 1.49 1.54 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.21 1.34 7.81 128 R 8.29 4.08 0.00 1.89 1.85 0.00 3.46 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.