NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.9671 8.0932 114.7879 57.7301 64.6901 174.1389 2 L 3.8689 8.3808 120.1483 57.7296 41.1921 178.2854 3 I 3.7042 8.5649 120.5472 64.8160 37.5174 177.8687 4 E 4.1316 7.8027 118.2900 59.2039 29.1702 179.3959 5 L 4.1060 8.1497 120.4992 58.5082 42.1567 179.1268 6 T 3.9262 8.6153 116.1074 66.3609 68.3352 176.4609 7 K 3.9643 8.1643 121.4565 59.8852 32.2337 178.5910 8 M 3.9511 8.4859 119.1855 58.3987 31.8134 178.8955 9 V 3.4640 8.1025 118.5672 65.9266 31.4729 177.4180 10 F 4.2814 8.0604 120.5313 60.8298 39.1906 176.7020 11 Q 3.4511 8.1443 115.9900 58.8107 28.4426 178.7899 12 E 4.2304 8.0112 118.4879 59.6803 29.5327 179.0874 13 T 4.1013 8.0107 109.8915 63.7734 68.9123 176.4927 *15 G 3.5162 7.5805 107.2051 44.3892 0.0000 172.0376 16 K 4.2195 7.6898 119.5475 53.6146 34.3685 175.1671 17 N 4.3892 8.3596 119.7624 53.7741 39.6514 174.1346 18 P 4.5707 0.0000 0.0000 65.4106 31.7482 178.8906 19 V 3.7310 7.8177 117.3882 65.8714 31.3434 177.7933 20 T 4.2129 7.8347 108.0290 64.4813 69.2324 176.1743 21 Y 3.8673 8.1066 120.4151 59.5493 37.7764 176.3389 22 Y 5.1410 7.7689 113.2637 57.9192 40.1826 176.6365 23 T 4.1161 8.0410 118.6594 65.9121 68.4961 174.4793 24 L 5.2033 7.7844 122.9137 53.3891 44.8241 174.2627 25 Y 4.9870 9.6079 126.8614 57.3629 42.8468 174.5981 26 G 3.2754 8.5788 116.7526 46.8990 0.0000 173.4242 27 C 4.8157 9.2276 116.7448 57.3629 41.2911 173.8322 28 N 4.9483 8.4484 113.8023 51.7221 40.4931 173.5955 29 C 4.6246 8.7805 117.3891 57.5457 40.5731 172.3154 30 G 4.9208 8.9378 109.8309 43.9233 0.0000 173.5583 31 V 3.7563 8.7848 120.5805 65.8512 31.5840 178.6868 32 G 3.7362 8.1602 106.3095 47.2875 0.0000 173.0551 33 R 4.6482 7.8685 119.9090 54.4725 31.6967 175.2191 34 R 4.7761 8.9871 120.9057 53.6253 34.1186 174.9468 35 G 4.2960 8.9315 112.5773 45.6544 0.0000 171.9043 36 K 3.7749 8.3553 122.6542 56.0976 32.5294 174.9153 37 P 4.4020 0.0000 0.0000 62.9658 31.8238 176.7271 38 K 3.8417 9.5077 123.5918 59.0844 32.3042 176.2618 39 D 4.4342 7.1875 115.6262 51.4255 41.9167 175.7125 40 A 3.9580 8.6451 119.9199 55.7646 18.0660 179.4796 41 T 3.8285 8.0575 113.8218 67.1291 68.5078 175.8028 42 D 4.5132 8.9337 119.9212 57.6263 41.2329 178.3521 43 R 4.0037 8.6011 119.3269 59.5939 30.0063 177.8687 44 C 4.3716 8.3526 116.6070 60.1474 36.1748 175.4590 45 C 4.2144 8.0125 118.1149 59.7426 39.5166 175.5529 46 F 4.0626 8.4014 122.4811 61.6666 38.8583 177.4745 47 V 3.0988 8.3766 117.8158 66.0122 31.2674 177.5059 48 H 3.9932 8.0344 118.0842 58.8482 29.6979 177.0818 49 R 3.5782 8.2237 120.8261 59.6766 29.6905 177.4785 50 C 3.9146 7.6143 114.9849 60.3360 40.2369 175.1528 51 C 4.2918 8.0572 118.7619 60.0334 44.6936 174.8478 52 Y 4.3727 7.9658 118.1568 61.2565 37.3143 178.8425 53 K 3.8260 8.1425 119.2697 59.2503 31.9344 178.8871 *57 K 4.4572 7.7428 115.1214 55.7510 34.0117 175.8796 58 L 4.3375 7.6733 119.4483 54.2408 42.3470 176.6173 59 T 4.4001 8.3472 111.6995 61.8664 70.9748 173.8167 60 G 4.1099 9.9362 114.4849 45.1061 0.0000 171.3184 61 C 4.6991 7.5480 112.8767 53.6840 46.1316 172.6193 *67 D 4.8631 8.3160 118.1338 53.5691 41.1197 174.1625 68 P 3.9868 0.0000 0.0000 65.3603 31.7685 179.1083 69 K 4.1070 8.1983 118.1524 58.1629 32.2721 178.7028 70 K 4.3898 7.7988 115.1561 57.1829 34.5761 176.1605 71 D 4.5310 8.0373 120.0156 53.7808 41.3015 176.4649 72 R 4.3975 8.5737 122.4192 55.4109 31.1013 174.9911 73 Y 5.0125 9.1657 118.4034 56.0281 41.7239 174.0801 74 S 5.0467 9.7789 117.4041 57.3595 64.7730 173.2961 75 Y 5.4269 8.5164 121.5730 55.6602 41.6259 173.6070 76 S 4.6823 9.6966 113.9674 56.3647 67.3638 172.3320 77 W 5.4274 8.8077 129.9053 55.8174 32.2657 174.8636 78 E 4.5167 8.5711 126.4020 56.0647 32.8035 175.2331 79 N 3.7524 9.4231 121.1259 54.3346 36.5305 173.9401 80 K 2.0000 7.4635 110.7133 56.0787 29.8524 175.0953 81 A 4.1926 5.9994 116.1551 50.4139 23.3453 176.6994 82 I 4.8748 8.3351 121.0298 60.8929 38.6605 175.6707 83 V 4.2642 9.5320 126.8876 61.4298 33.9757 174.0654 84 C 4.9141 9.1138 126.8783 56.2922 39.4129 172.4264 85 G 4.0128 8.0632 108.6105 45.0484 0.0000 170.5569 86 E 4.6973 8.2599 124.1668 54.9608 32.2023 175.4386 87 K 4.0734 8.8669 126.6107 58.8991 33.5883 176.5505 88 N 4.4314 8.1126 119.5508 52.1961 39.0151 173.5122 *90 P 4.4214 0.0000 0.0000 62.4222 33.8227 179.5267 91 C 4.2534 8.0792 117.9706 59.5598 41.5103 175.1883 92 L 3.9257 7.7516 120.1563 57.4872 41.1589 179.2000 93 K 3.7925 8.2316 119.8255 59.4954 32.1561 178.5123 94 E 3.8567 7.9664 119.1234 59.2082 29.4620 178.0707 95 L 3.8287 8.2565 120.8202 58.1927 42.0368 177.8299 96 C 2.9897 7.8250 118.3690 59.8706 43.6377 176.0124 97 E 3.7478 8.3094 119.9630 59.0591 29.0392 178.5700 98 C 4.2818 8.6077 117.3056 60.1522 39.7752 175.8269 99 D 4.3763 8.3688 120.5035 57.2502 40.4720 178.8163 100 K 3.8380 8.2949 120.1382 59.3376 32.1385 178.4044 101 A 3.9908 8.1747 121.5852 55.4128 18.1843 180.0838 102 V 3.4660 7.8537 117.2129 64.6300 31.4858 178.3643 103 A 3.8822 7.9047 121.4255 54.9395 18.1563 179.6521 104 I 3.7673 7.7400 118.1504 64.6694 36.9895 177.6851 105 C 4.1817 8.1506 118.1866 59.8705 38.8676 175.3911 106 L 3.9917 8.5779 121.4474 57.5789 41.1343 179.4687 107 R 3.8575 8.0525 118.6299 59.5396 29.9010 178.7808 108 K 4.0680 8.6512 117.4730 58.6463 32.2407 177.9887 109 N 4.9304 7.7412 114.8355 52.8780 38.9021 176.1474 110 L 4.2315 7.9931 123.9045 58.1964 41.5206 179.7384 111 G 3.8120 8.3082 106.2499 47.9611 0.0000 173.8099 112 T 4.5150 7.7199 107.2092 60.9072 69.6748 173.8991 113 Y 3.9736 7.9342 124.7308 58.4173 39.3594 174.5094 114 D 4.9924 8.7303 126.0810 52.0738 43.0385 176.5230 115 K 4.1770 8.7694 127.0811 59.4065 32.5409 179.1785 116 N 4.5009 8.4194 116.5957 56.1233 38.2004 176.1461 117 Y 4.2281 7.5120 116.6291 59.1844 37.4829 177.8555 118 R 3.8927 7.8709 120.9949 57.3586 31.6177 177.3280 119 F 4.4040 8.4785 120.4022 56.0476 37.5028 176.5956 120 T 2.7357 7.5087 119.2823 66.5157 68.9287 175.2007 121 M 4.1236 7.7715 118.4056 56.3551 32.5024 176.6705 122 K 4.4705 8.7433 119.1418 55.6802 32.4720 175.8597 123 F 4.6336 7.1165 112.9702 56.3245 39.9741 172.7749 *125 L 4.6119 8.0504 119.9357 55.0431 42.4948 176.9984 126 C 5.0407 8.4585 118.2772 55.2195 40.2022 173.8280 127 D 4.5047 8.6097 123.6324 54.1927 42.0950 175.1514 *129 K 4.3978 8.3196 120.4812 55.6518 33.0274 173.9061 130 P 4.3219 0.0000 0.0000 62.4640 32.0115 175.8472 131 E 4.1180 8.2491 121.8569 55.5353 30.3205 176.3859 132 K 4.3712 8.3689 124.2397 56.0323 33.0370 177.9215 133 C 4.5862 8.9350 119.6782 57.4172 41.1014 173.5461 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 S 8.09 4.97 0.00 4.06 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.38 3.87 0.00 1.73 1.81 0.97 0.74 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 3 I 8.56 3.70 1.82 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 1.62 0.87 0.89 0.00 0.00 4 E 7.80 4.13 0.00 1.80 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 2.25 2.30 0.00 5 L 8.15 4.11 0.00 2.27 2.00 0.83 0.80 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 6 T 8.62 3.93 4.41 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 1.25 0.00 0.00 7 K 8.16 3.96 0.00 2.11 2.13 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.51 7.81 8 M 8.49 3.95 0.00 1.96 2.16 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.06 0.00 9 V 8.10 3.46 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 0.95 0.00 0.00 0.81 0.00 0.00 10 F 8.06 4.28 0.00 2.98 3.24 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 11 Q 8.14 3.45 0.00 1.78 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 1.59 2.33 0.00 12 E 8.01 4.23 0.00 1.96 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 2.52 2.52 0.00 13 T 8.01 4.10 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 1.22 0.00 0.00 *15 G 7.58 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.69 4.22 0.00 1.17 0.74 0.00 0.98 0.00 0.00 1.26 0.00 0.00 2.57 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.16 0.67 7.81 17 N 8.36 4.39 0.00 2.79 2.77 0.00 0.00 7.08 7.71 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 18 P 0.00 4.57 0.00 2.32 2.27 0.00 3.70 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 19 V 7.82 3.73 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 1.12 0.00 0.00 0.97 0.00 0.00 20 T 7.83 4.21 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 1.29 0.00 0.00 21 Y 8.11 3.87 0.00 2.64 1.43 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 22 Y 7.77 5.14 0.00 3.17 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 23 T 8.04 4.12 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 1.26 0.00 0.00 24 L 7.78 5.20 0.00 1.69 1.50 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 9.61 4.99 0.00 3.22 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 26 G 8.58 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 9.23 4.82 0.00 3.22 3.21 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 28 N 8.45 4.95 0.00 3.11 2.97 0.00 0.00 6.93 7.27 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 29 C 8.78 4.62 0.00 3.54 3.40 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 30 G 8.94 4.92 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 31 V 8.78 3.76 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.98 0.00 0.00 32 G 8.16 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 33 R 7.87 4.65 0.00 1.98 2.10 0.00 3.25 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 34 R 8.99 4.78 0.00 1.67 1.82 0.00 3.40 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 35 G 8.93 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.36 3.77 0.00 1.86 1.71 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.34 7.81 37 P 0.00 4.40 0.00 1.93 2.01 0.00 3.45 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.89 0.00 38 K 9.51 3.84 0.00 0.79 0.74 0.00 1.49 0.00 0.00 1.52 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.05 0.21 7.81 39 D 7.19 4.43 0.00 2.83 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 40 A 8.65 3.96 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 41 T 8.06 3.83 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 0.87 0.00 0.00 42 D 8.93 4.51 0.00 2.92 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 43 R 8.60 4.00 0.00 1.93 2.09 0.00 3.11 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 44 C 8.35 4.37 0.00 3.09 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.01 4.21 0.00 3.20 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 46 F 8.40 4.06 0.00 3.30 3.21 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 47 V 8.38 3.10 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 0.94 0.00 0.00 1.07 0.00 0.00 48 H 8.03 3.99 0.00 3.16 3.28 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.22 3.58 0.00 1.82 1.91 0.00 3.20 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 50 C 7.61 3.91 0.00 2.76 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 51 C 8.06 4.29 0.00 3.00 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 52 Y 7.97 4.37 0.00 3.14 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 53 K 8.14 3.83 0.00 2.03 1.86 0.00 1.63 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.54 7.81 *57 K 7.74 4.46 0.00 1.97 1.90 0.00 1.76 0.00 0.00 2.34 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.57 7.81 58 L 7.67 4.34 0.00 1.66 1.53 0.69 0.74 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 59 T 8.35 4.40 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 1.20 0.00 0.00 60 G 9.94 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 0.00 0.00 0.00 0.00 61 C 7.55 4.70 0.00 3.23 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *67 D 8.32 4.86 0.00 2.70 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 68 P 0.00 3.99 0.00 1.65 0.49 0.00 3.47 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 1.62 1.55 0.00 69 K 8.20 4.11 0.00 1.87 1.87 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.38 7.81 70 K 7.80 4.39 0.00 1.82 1.89 0.00 1.56 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.40 7.81 71 D 8.04 4.53 0.00 2.89 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.57 4.40 0.00 1.77 1.88 0.00 3.35 0.00 0.00 3.89 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 73 Y 9.17 5.01 0.00 3.01 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 74 S 9.78 5.05 0.00 3.98 3.87 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 75 Y 8.52 5.43 0.00 3.23 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 76 S 9.70 4.68 0.00 3.87 3.98 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 77 W 8.81 5.43 0.00 3.37 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 78 E 8.57 4.52 0.00 1.97 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 79 N 9.42 3.75 0.00 2.68 2.74 0.00 0.00 7.19 7.61 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 80 K 7.46 2.00 0.00 1.60 1.58 0.00 1.89 0.00 0.00 1.87 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.55 1.34 7.81 81 A 6.00 4.19 0.99 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 0.00 0.00 82 I 8.34 4.87 1.96 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.22 0.86 0.00 0.00 83 V 9.53 4.26 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 0.92 0.00 0.00 1.05 0.00 0.00 84 C 9.11 4.91 0.00 3.07 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 85 G 8.06 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 0.00 0.00 0.00 86 E 8.26 4.70 0.00 2.21 1.80 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 2.19 2.37 0.00 87 K 8.87 4.07 0.00 1.91 1.93 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.43 7.81 88 N 8.11 4.43 0.00 2.78 2.92 0.00 0.00 7.11 8.15 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 *90 P 0.00 4.42 0.00 2.23 2.11 0.00 3.70 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.19 0.00 91 C 8.08 4.25 0.00 2.97 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.75 3.93 0.00 2.02 1.75 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.23 3.79 0.00 2.00 1.93 0.00 1.47 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.45 7.81 94 E 7.97 3.86 0.00 2.19 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 0.00 2.28 2.29 0.00 95 L 8.26 3.83 0.00 1.70 1.76 0.77 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 96 C 7.82 2.99 0.00 1.75 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 97 E 8.31 3.75 0.00 2.04 1.93 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 2.36 2.42 0.00 98 C 8.61 4.28 0.00 3.38 3.24 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 99 D 8.37 4.38 0.00 2.89 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 0.00 100 K 8.29 3.84 0.00 1.76 1.95 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.46 7.81 101 A 8.17 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 0.00 102 V 7.85 3.47 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.74 0.00 0.00 103 A 7.90 3.88 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 0.00 104 I 7.74 3.77 1.99 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 1.58 1.01 0.90 0.00 0.00 105 C 8.15 4.18 0.00 3.02 3.22 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 L 8.58 3.99 0.00 1.52 1.34 0.07 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.05 3.86 0.00 1.97 2.12 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 2.06 0.00 108 K 8.65 4.07 0.00 1.89 1.88 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.57 7.81 109 N 7.74 4.93 0.00 2.88 2.86 0.00 0.00 6.82 6.61 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 0.00 110 L 7.99 4.23 0.00 1.85 1.81 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.31 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 0.00 112 T 7.72 4.52 4.32 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 1.27 0.00 0.00 113 Y 7.93 3.97 0.00 3.18 3.14 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 0.00 114 D 8.73 4.99 0.00 2.79 2.45 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 0.00 115 K 8.77 4.18 0.00 1.95 2.02 0.00 1.81 0.00 0.00 1.89 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.68 7.81 116 N 8.42 4.50 0.00 2.59 2.65 0.00 0.00 6.86 6.78 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 0.00 117 Y 7.51 4.23 0.00 1.85 1.56 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 0.00 118 R 7.87 3.89 0.00 1.93 1.74 0.00 3.31 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.69 0.00 119 F 8.48 4.40 0.00 3.34 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 0.00 120 T 7.51 2.74 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 121 M 7.77 4.12 0.00 1.98 2.13 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 2.50 2.51 0.00 122 K 8.74 4.47 0.00 2.04 1.93 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.41 1.40 7.81 123 F 7.12 4.63 0.00 3.21 3.14 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 0.00 *125 L 8.05 4.61 0.00 1.75 1.72 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.46 5.04 0.00 2.86 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 0.00 127 D 8.61 4.50 0.00 2.58 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 *129 K 8.32 4.40 0.00 1.79 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.49 7.81 130 P 0.00 4.32 0.00 2.13 2.03 0.00 3.74 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 131 E 8.25 4.12 0.00 1.55 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.15 0.00 132 K 8.37 4.37 0.00 1.85 1.79 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.43 7.81 133 C 8.94 4.59 0.00 2.95 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 * Residues marked with a * may have inaccurate shift predictions.