NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 Q 4.3889 8.2033 118.8332 55.7379 29.9848 177.1697 13 L 4.0238 8.1919 121.5828 58.5241 41.6646 176.0250 14 E 5.0648 8.8585 116.3145 57.7121 30.3849 177.4159 15 E 3.9835 7.7615 117.3632 58.2558 29.6757 177.1563 16 Y 4.5148 8.9652 114.6871 58.2434 39.9038 175.4949 17 A 4.6157 7.4388 120.6146 49.6689 22.2094 175.7890 18 S 4.6554 8.4182 115.4713 57.6244 65.3796 175.4070 19 A 3.9725 8.4574 124.3108 55.5303 18.0882 179.1243 20 E 3.8267 8.3143 117.0563 59.9165 29.5465 178.2148 21 D 4.3983 8.2050 118.1331 57.9691 41.0594 179.2235 22 I 3.7049 7.9345 119.5036 64.9356 36.9949 178.7929 23 S 4.1691 8.2597 114.9294 61.2593 62.9602 176.3726 24 R 4.0123 8.3695 121.9337 59.4216 29.8959 178.5039 25 V 3.5260 7.7103 117.9229 66.3005 31.1415 177.8065 26 R 3.9103 8.0627 117.8810 59.5347 29.5462 178.0748 27 A 4.2374 7.8455 119.5671 53.5463 18.4525 177.7273 28 E 4.4507 7.8101 113.2938 55.7329 30.0866 175.4950 29 L 4.2232 7.5358 121.3521 54.9164 42.3921 176.1791 30 L 4.3797 8.3300 125.6602 56.0304 43.0935 177.2882 31 T 3.9215 7.7215 111.9595 63.0855 68.3531 173.2089 32 C 4.2146 8.7376 122.9586 59.8504 25.8501 173.3501 33 P 4.2880 0.0000 0.0000 65.2665 31.1251 176.9031 34 E 4.4654 7.8561 115.5199 55.4345 30.1434 175.6539 35 L 3.7355 7.4652 121.9265 54.9444 42.6056 176.2502 36 N 4.3781 8.5379 123.7034 53.7426 38.4458 175.2144 37 T 4.1083 8.3996 121.7727 64.1812 67.7363 175.5188 38 S 4.5624 8.4290 114.3406 58.9524 63.5467 174.4403 39 L 4.6361 7.9770 119.7777 54.7164 43.6839 176.8109 40 A 4.5520 8.2680 118.9153 51.1652 20.5639 175.9027 41 G 4.2552 8.3155 101.2099 44.9603 0.0000 172.7745 42 T 4.7415 8.4298 114.3687 61.3983 71.0009 174.1299 43 I 4.1628 8.2591 127.2320 61.1938 37.6130 175.6764 44 I 4.4718 8.4439 117.8369 60.7166 39.0902 175.1676 45 E 4.7815 7.6543 122.2777 55.4918 32.7915 173.4591 46 I 5.0109 8.1375 124.9935 60.1213 41.7713 172.8730 47 D 4.5024 8.9407 125.4491 53.0261 44.5881 174.4055 48 K 4.0868 8.6082 122.5644 57.8507 32.3453 175.7843 49 N 4.4512 9.3212 121.4836 53.9669 36.3281 172.4589 50 Y 5.3787 7.9579 118.4657 56.4905 42.7022 173.5721 51 A 4.5795 7.5135 125.2330 50.6661 23.4738 174.9853 52 K 4.8562 8.8268 121.1250 54.6361 35.9452 175.3337 53 S 5.0620 8.8986 119.9942 56.9071 67.4624 172.4853 54 I 4.8991 8.5567 119.9777 59.3207 41.0492 174.4625 55 L 4.8423 8.8032 128.6304 53.3487 44.3469 175.0329 56 I 4.5960 8.2829 128.1544 60.1834 38.0511 176.0514 57 T 4.1947 8.3165 118.4756 61.8267 69.3262 173.9921 58 T 4.6679 8.0491 113.2642 59.3553 71.9854 173.9446 59 S 4.1121 8.5984 116.2232 60.5274 62.8577 174.0247 60 E 4.2287 7.3201 119.9206 55.7053 28.9811 176.5981 *62 V 4.0097 7.3260 110.1053 62.2483 33.2123 176.0747 63 A 4.4072 9.3350 126.1873 53.4679 19.7087 176.5083 64 D 4.7144 7.5272 113.6524 52.5461 42.3300 174.9714 65 D 4.8073 8.6169 117.2018 53.8154 39.2564 176.7517 66 Q 4.3703 8.8242 117.2784 56.1158 29.6275 176.5522 67 G 3.9240 7.9368 107.1442 44.6732 0.0000 172.8068 68 L 4.4177 7.9114 122.8256 54.9300 43.2365 175.5668 69 I 4.5498 8.1500 127.6785 59.9703 38.5214 175.6906 70 F 4.3938 9.1134 129.6031 58.6694 39.9347 175.7895 71 D 4.2394 8.2885 125.3565 57.2301 40.4760 178.7148 72 A 3.9455 6.8290 120.6350 54.8317 18.3033 179.4291 73 F 4.0607 8.1584 116.2184 60.3873 38.8371 178.0111 74 I 3.6701 7.8728 119.9037 64.2239 36.8517 178.0143 75 F 3.8416 8.3835 120.7933 61.1828 39.1907 176.5484 76 A 3.9256 8.7329 120.5525 55.4006 18.1769 179.5321 77 A 4.6461 8.2942 120.1216 54.8478 18.4433 179.7654 78 A 3.8122 7.9281 119.5577 54.9893 18.3534 179.3548 79 N 3.9680 8.2956 116.3054 56.7734 38.9812 176.5731 80 Y 4.2439 8.0498 121.2128 60.8917 39.0237 178.2651 81 V 3.3502 7.8427 119.7951 64.3033 30.9444 178.1204 82 A 3.8932 7.9201 121.6248 55.3128 18.1798 179.7007 83 Q 3.7157 7.9853 115.7512 58.8253 28.5170 178.7081 84 A 3.9479 7.7297 121.4013 54.6666 18.3973 179.4712 85 S 4.2947 7.6926 112.2710 61.0908 63.1574 176.0382 86 I 3.9731 7.1995 122.1049 60.9357 38.1021 175.2267 87 N 4.0852 8.0934 116.7446 54.3486 37.6014 173.7349 88 K 4.5063 7.4295 115.7543 54.4917 34.3296 177.9878 89 E 3.6057 8.6177 123.3377 58.3546 29.7834 176.2683 90 F 5.0078 7.4453 114.7830 55.3989 40.8493 174.4804 91 S 5.3244 8.4125 116.8623 56.6835 66.5314 173.3081 92 V 4.6685 8.6989 119.3706 60.4535 35.1077 173.4228 93 I 4.9383 8.2964 114.9408 59.5988 39.0352 175.4912 94 I 4.4458 8.2774 116.1889 60.3118 39.0247 175.3136 95 G 4.2702 7.6242 106.3733 46.2111 0.0000 172.5249 96 S 5.2815 8.5531 114.4789 56.8955 66.4035 173.7925 97 K 4.3593 9.1480 122.2949 55.2522 34.7092 174.6280 98 C 4.8551 8.4046 124.2803 57.6438 32.0134 173.5374 99 F 4.5193 8.5224 120.4466 55.6123 41.6959 174.4428 100 F 4.9263 8.8259 122.6014 56.1506 38.9738 175.1321 101 Y 4.4650 8.5953 122.5001 60.4262 38.2580 176.4947 102 A 4.7922 7.7557 119.7949 49.9714 22.2102 173.6754 103 P 4.7643 0.0000 0.0000 62.3699 33.0227 175.9533 104 L 4.4666 8.4892 120.4513 54.4559 43.5074 175.5006 105 K 4.9599 9.2695 122.6014 54.0633 35.0437 175.3584 106 L 3.9998 8.6452 128.7597 56.8840 42.2580 176.9463 107 G 4.1331 8.9168 114.4627 45.5805 0.0000 173.8401 108 D 4.6237 8.3862 120.0716 54.2687 42.2257 175.4938 109 V 4.6842 8.2361 121.0286 61.0450 33.7837 174.2874 110 L 4.6663 8.9148 130.7109 53.9297 43.9886 174.7390 111 E 4.8626 9.4665 126.4533 54.9406 31.3369 174.9002 112 L 5.2972 8.8006 125.2271 52.8844 45.1433 175.3304 113 E 4.9822 9.1390 122.1713 54.3412 33.4048 174.0665 114 A 5.2888 8.7778 127.8978 50.4051 22.4995 174.3557 115 H 5.4356 9.4347 119.2908 53.9211 32.0618 172.7170 116 A 4.9114 8.9305 126.2440 50.6752 19.8314 176.9897 117 L 4.1977 8.8270 123.7195 54.1950 42.3609 177.2207 118 F 3.9386 8.9691 125.1791 58.9868 39.6373 174.4803 119 D 4.3195 6.8931 121.1846 54.3336 42.0442 175.7503 120 E 4.1146 7.8912 121.6344 56.6480 29.3410 177.1625 121 T 4.2576 6.6214 112.7874 64.8625 70.7121 174.7108 122 S 4.2488 8.1131 118.5839 58.5191 63.4647 175.0298 123 K 4.2074 8.5356 124.0087 57.7576 33.1540 176.0602 124 K 4.8491 8.2587 123.0512 55.0843 33.1205 175.9481 125 R 4.7551 9.2727 126.1755 54.5025 34.4847 173.8505 126 D 5.2991 8.6416 121.9697 52.6991 43.5231 175.3341 127 V 4.8044 8.6765 122.9445 61.0145 34.6929 174.1980 128 K 4.8098 9.1510 128.1413 55.4801 33.6001 175.7803 129 V 5.0901 9.0920 125.7795 61.0692 34.4522 174.7070 130 V 5.0292 8.8861 125.6852 60.0103 35.0616 174.3888 131 G 4.6043 9.4054 109.8775 44.9109 0.0000 171.6782 132 H 5.4066 9.5542 120.6715 53.7354 33.1713 172.8891 133 V 4.6270 8.4810 121.3262 60.7801 33.5815 176.1927 134 K 3.7170 8.9566 129.2334 58.0303 30.9569 176.1558 135 E 4.4578 9.1000 125.3732 56.9506 29.9675 175.0674 136 I 4.2898 7.7201 122.3897 59.6468 38.1586 175.5426 137 K 4.1992 8.3509 126.6488 56.1425 32.9935 175.4701 *139 F 4.6279 8.2369 124.5888 58.2003 40.9141 173.1551 140 E 4.8291 7.5001 124.9909 54.7260 33.4635 174.0224 141 G 4.1518 8.5831 110.7031 45.7150 0.0000 171.9478 142 T 5.2683 8.5776 118.4531 61.5415 71.4091 173.4586 143 I 4.9353 8.7719 126.6837 59.5892 40.9839 174.4054 144 Q 4.8938 9.1816 126.3941 54.6522 30.4354 174.6976 145 V 4.7393 8.7518 125.0406 61.0802 34.2589 174.5194 146 V 5.0613 8.7874 127.0309 61.1161 34.4671 174.4649 147 S 5.4702 8.6602 121.6497 56.8014 65.9670 172.6452 148 T 4.7638 8.8025 110.0193 60.0149 71.4015 174.0412 149 D 4.5865 8.8720 121.4853 56.3758 41.2075 176.5993 150 E 4.1245 7.5096 115.9626 53.5251 33.2577 174.8756 151 H 3.3772 7.1777 119.5152 56.3612 30.0409 175.8301 152 I 3.5550 8.0818 126.7689 64.0322 37.7722 176.5142 153 F 4.8376 7.9770 117.3762 59.6570 39.3350 175.5061 154 K 4.1979 8.0565 124.2505 56.6445 31.7182 176.5968 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 12 Q 8.20 4.39 0.00 2.34 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 13 L 8.19 4.02 0.00 1.83 1.83 0.97 0.67 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 14 E 8.86 5.06 0.00 1.96 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 2.34 2.32 0.00 15 E 7.76 3.98 0.00 1.46 1.41 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 2.21 2.19 0.00 16 Y 8.97 4.51 0.00 2.96 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 17 A 7.44 4.62 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 18 S 8.42 4.66 0.00 4.07 4.01 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 19 A 8.46 3.97 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 20 E 8.31 3.83 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 21 D 8.20 4.40 0.00 2.95 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.93 3.70 2.02 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 1.54 0.76 0.93 0.00 0.00 23 S 8.26 4.17 0.00 4.02 3.93 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 24 R 8.37 4.01 0.00 1.97 2.11 0.00 3.12 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 25 V 7.71 3.53 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 0.89 0.00 0.00 0.95 0.00 0.00 26 R 8.06 3.91 0.00 2.14 2.05 0.00 3.22 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 27 A 7.85 4.24 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 28 E 7.81 4.45 0.00 2.06 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 2.38 2.19 0.00 29 L 7.54 4.22 0.00 1.94 1.63 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.33 4.38 0.00 1.57 1.56 0.85 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.72 3.92 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 32 C 8.74 4.21 0.00 3.10 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.29 0.00 2.16 2.18 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 34 E 7.86 4.47 0.00 1.94 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 2.22 2.21 0.00 35 L 7.47 3.74 0.00 1.39 1.23 0.76 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.54 4.38 0.00 2.75 2.71 0.00 0.00 6.85 7.22 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 37 T 8.40 4.11 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 38 S 8.43 4.56 0.00 4.01 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 39 L 7.98 4.64 0.00 1.87 1.86 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.27 4.55 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 41 G 8.32 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.43 4.74 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 43 I 8.26 4.16 1.70 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.17 0.71 0.00 0.00 44 I 8.44 4.47 1.88 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 1.13 0.62 0.91 0.00 0.00 45 E 7.65 4.78 0.00 2.06 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 2.44 2.36 0.00 46 I 8.14 5.01 1.81 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 1.20 0.96 0.90 0.00 0.00 47 D 8.94 4.50 0.00 2.85 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 48 K 8.61 4.09 0.00 1.76 1.76 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.58 7.81 49 N 9.32 4.45 0.00 3.05 2.99 0.00 0.00 6.52 7.48 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 50 Y 7.96 5.38 0.00 2.98 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 51 A 7.51 4.58 1.01 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 0.00 0.00 52 K 8.83 4.86 0.00 1.53 1.48 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.28 1.49 7.81 53 S 8.90 5.06 0.00 3.76 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 54 I 8.56 4.90 1.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.95 0.64 0.00 0.00 55 L 8.80 4.84 0.00 1.70 1.47 0.95 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.28 4.60 1.86 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 1.40 0.63 0.91 0.00 0.00 57 T 8.32 4.19 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 1.26 0.00 0.00 58 T 8.05 4.67 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 1.17 0.00 0.00 59 S 8.60 4.11 0.00 3.82 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 60 E 7.32 4.23 0.00 2.00 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 2.16 2.18 0.00 *62 V 7.33 4.01 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 0.68 0.00 0.00 0.94 0.00 0.00 63 A 9.34 4.41 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.53 4.71 0.00 2.86 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 65 D 8.62 4.81 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 66 Q 8.82 4.37 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.66 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 67 G 7.94 3.92 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 0.00 0.00 0.00 68 L 7.91 4.42 0.00 1.82 1.91 0.96 1.11 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 69 I 8.15 4.55 2.02 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.97 1.00 0.00 0.00 70 F 9.11 4.39 0.00 3.24 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.29 4.24 0.00 1.94 1.66 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 72 A 6.83 3.95 1.04 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 73 F 8.16 4.06 0.00 3.33 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 74 I 7.87 3.67 2.24 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 1.53 0.54 0.46 0.00 0.00 75 F 8.38 3.84 0.00 3.33 3.31 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 76 A 8.73 3.93 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 77 A 8.29 4.65 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 78 A 7.93 3.81 1.04 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 79 N 8.30 3.97 0.00 2.19 2.83 0.00 0.00 6.80 7.53 0.00 0.00 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 Y 8.05 4.24 0.00 3.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.84 3.35 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 0.70 0.00 0.00 0.69 0.00 0.00 82 A 7.92 3.89 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 83 Q 7.99 3.72 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 84 A 7.73 3.95 1.10 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 0.00 0.00 85 S 7.69 4.29 0.00 4.02 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 86 I 7.20 3.97 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.84 0.89 0.00 0.00 87 N 8.09 4.09 0.00 2.93 2.79 0.00 0.00 7.17 7.28 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 88 K 7.43 4.51 0.00 1.79 1.67 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.34 7.81 89 E 8.62 3.61 0.00 1.60 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 1.47 1.90 0.00 90 F 7.45 5.01 0.00 3.31 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 91 S 8.41 5.32 0.00 3.79 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 92 V 8.70 4.67 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 0.71 0.00 0.00 0.90 0.00 0.00 93 I 8.30 4.94 1.98 0.00 0.00 1.00 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 0.75 0.95 0.00 0.00 94 I 8.28 4.45 1.88 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 1.33 0.76 0.92 0.00 0.00 95 G 7.62 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 0.00 0.00 0.00 96 S 8.55 5.28 0.00 4.07 4.01 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 97 K 9.15 4.36 0.00 1.73 1.58 0.00 1.52 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.02 1.20 7.81 98 C 8.40 4.86 0.00 2.72 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 0.00 0.00 0.00 0.00 99 F 8.52 4.52 0.00 2.09 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 0.00 0.00 0.00 0.00 100 F 8.83 4.93 0.00 2.86 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 0.00 101 Y 8.60 4.47 0.00 3.06 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 0.00 102 A 7.76 4.79 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 0.00 103 P 0.00 4.76 0.00 2.13 2.09 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 104 L 8.49 4.47 0.00 1.73 1.66 1.01 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 105 K 9.27 4.96 0.00 1.79 1.81 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.36 7.81 106 L 8.65 4.00 0.00 1.66 1.59 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.92 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 0.00 0.00 0.00 108 D 8.39 4.62 0.00 2.74 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 0.00 109 V 8.24 4.68 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 0.09 0.00 0.00 0.96 0.00 0.00 110 L 8.91 4.67 0.00 1.75 1.46 1.00 0.70 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 0.00 111 E 9.47 4.86 0.00 1.92 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 2.17 2.04 0.00 112 L 8.80 5.30 0.00 1.52 1.49 0.84 0.60 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 0.00 113 E 9.14 4.98 0.00 2.04 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 0.00 2.27 2.31 0.00 114 A 8.78 5.29 1.09 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 0.00 0.00 115 H 9.43 5.44 0.00 3.09 3.26 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.93 4.91 1.24 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 0.00 0.00 0.00 117 L 8.83 4.20 0.00 1.55 1.69 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.97 3.94 0.00 3.01 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 0.00 119 D 6.89 4.32 0.00 2.63 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 0.00 120 E 7.89 4.11 0.00 1.77 1.85 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 1.56 2.23 0.00 121 T 6.62 4.26 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 122 S 8.11 4.25 0.00 3.81 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 K 8.54 4.21 0.00 1.75 1.97 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.52 1.42 7.81 124 K 8.26 4.85 0.00 1.72 1.70 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.41 7.81 125 R 9.27 4.76 0.00 1.65 1.73 0.00 3.27 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 126 D 8.64 5.30 0.00 2.68 2.58 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 0.00 127 V 8.68 4.80 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 1.06 0.00 0.00 0.93 0.00 0.00 128 K 9.15 4.81 0.00 1.76 1.76 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.56 7.81 129 V 9.09 5.09 2.27 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 1.15 0.00 0.00 0.94 0.00 0.00 130 V 8.89 5.03 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 0.84 0.00 0.00 1.08 0.00 0.00 131 G 9.41 4.60 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 0.00 0.00 0.00 132 H 9.55 5.41 0.00 3.10 3.38 0.00 5.76 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 0.00 133 V 8.48 4.63 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 1.02 0.00 0.00 0.98 0.00 0.00 134 K 8.96 3.72 0.00 1.98 0.96 0.00 1.85 0.00 0.00 1.84 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.40 7.81 135 E 9.10 4.46 0.00 2.09 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 2.23 2.27 0.00 136 I 7.72 4.29 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.22 0.95 0.00 0.00 137 K 8.35 4.20 0.00 1.65 1.58 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.51 1.33 7.81 *139 F 8.24 4.63 0.00 3.20 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 0.00 140 E 7.50 4.83 0.00 2.17 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 2.19 2.26 0.00 141 G 8.58 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 0.00 0.00 0.00 0.00 142 T 8.58 5.27 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 1.22 0.00 0.00 143 I 8.77 4.94 1.86 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.80 0.90 0.00 0.00 144 Q 9.18 4.89 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.52 2.30 0.00 145 V 8.75 4.74 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 0.87 0.00 0.00 0.92 0.00 0.00 146 V 8.79 5.06 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 0.94 0.00 0.00 0.93 0.00 0.00 147 S 8.66 5.47 0.00 4.03 3.82 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 0.00 148 T 8.80 4.76 4.20 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 1.19 0.00 0.00 149 D 8.87 4.59 0.00 2.69 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 0.00 150 E 7.51 4.12 0.00 1.74 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 2.05 2.15 0.00 151 H 7.18 3.38 0.00 2.72 3.00 0.00 5.70 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 I 8.08 3.56 1.71 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 1.31 0.79 0.38 0.00 0.00 153 F 7.98 4.84 0.00 3.13 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 0.00 154 K 8.06 4.20 0.00 1.81 1.70 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.36 7.81 * Residues marked with a * may have inaccurate shift predictions.