NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.1474 8.0249 121.4500 61.1298 38.1071 174.7482 6 E 4.1756 8.5597 125.7181 54.4713 30.5469 174.9222 7 Q 3.7801 9.2258 123.7791 55.0133 30.2183 174.4175 8 P 3.8060 0.0000 0.0000 61.9730 31.8372 177.3982 9 R 3.7336 8.2762 121.2624 59.2367 29.9611 177.8144 10 W 4.4484 7.1483 110.7067 56.7752 28.7637 175.7877 11 A 4.4266 7.0917 123.5241 51.1135 18.7448 177.4900 12 S 4.2363 9.0534 117.3956 58.8209 62.8900 174.1142 13 K 4.4075 8.4183 124.7186 55.9591 32.9324 176.2699 14 D 4.4659 7.8882 120.2729 54.2855 41.6156 177.4004 15 S 4.0981 8.8147 121.4276 61.3594 63.1775 175.0956 16 A 4.3694 8.6063 121.1892 51.8492 19.0918 176.6748 17 A 4.2674 7.7711 120.7069 53.3277 18.6701 178.4396 18 G 3.9323 9.1309 110.7411 45.3378 0.0000 172.8300 19 A 4.5479 7.5873 122.3229 49.9577 20.4324 177.2937 20 A 4.2960 8.4778 125.4765 52.5649 18.9217 177.6288 21 S 4.7378 9.3595 117.6170 58.2136 64.5295 174.4553 22 T 4.7256 7.3422 110.3882 58.5254 72.9289 172.4991 23 P 4.2121 0.0000 0.0000 66.1016 31.3081 178.7569 24 D 4.3309 7.9708 117.0692 57.3009 40.8376 178.5006 25 E 3.9103 8.1753 119.2499 58.9697 29.4285 179.2291 26 K 3.8853 8.1576 119.8319 59.5500 32.2421 178.9218 27 I 3.6978 7.6474 120.0184 64.3926 36.8054 178.5643 28 V 3.1153 7.4074 117.7249 65.9284 31.3247 177.8374 29 L 4.0167 7.6588 117.5132 57.5205 41.7896 178.9354 30 E 4.1522 8.2333 118.8726 59.0379 29.4901 179.4183 31 F 3.6614 7.9502 119.8926 58.3532 39.2228 176.6173 *33 D 4.4273 8.1941 118.4974 53.7639 42.8450 177.7729 34 A 3.8839 7.4956 119.9984 54.3093 18.2614 179.3706 35 L 3.8251 7.3645 118.0603 58.0989 41.4605 179.1723 36 T 4.4386 7.4168 108.5357 62.7421 68.7905 176.2077 37 S 4.0608 7.7865 117.3277 59.4544 63.0708 173.6977 38 N 2.0000 7.4260 118.1089 53.2595 36.6705 174.5837 39 D 4.5425 7.1087 116.0892 51.6375 43.3437 174.1460 40 A 4.2443 8.7089 129.6929 55.2124 18.2940 178.7733 41 A 4.2645 8.0282 119.3690 54.4805 18.2914 179.3797 42 K 4.1271 8.2530 117.7682 59.8474 32.3921 179.2028 43 L 4.5516 8.1814 119.3614 57.9079 41.5924 179.2952 44 I 3.9746 8.3073 118.4994 63.8124 37.6607 177.5892 45 E 4.1582 7.9609 117.5035 58.9722 29.5071 178.0206 46 Y 4.0030 8.6148 116.2913 58.4390 38.0642 175.0084 47 F 4.9102 7.7374 118.6672 55.3699 40.8337 175.6747 48 A 4.3709 8.3610 127.2194 51.7801 19.4653 178.1617 49 E 4.0124 8.8053 118.8259 59.6111 29.6219 177.2633 50 D 4.7998 7.9310 121.0586 54.2902 40.4474 174.1790 51 T 5.2858 7.7483 121.7909 61.6704 70.8538 170.5312 *53 Y 5.0593 8.4018 119.9898 57.9802 40.5766 175.0367 54 Q 3.9827 8.2747 126.9172 54.9203 32.8501 174.3365 55 N 4.5724 7.4932 125.4403 52.2082 40.4967 173.3926 *57 P 4.1403 0.0000 0.0000 62.5819 33.2972 176.0500 58 L 4.7884 7.5902 117.0825 51.5249 45.1922 174.5679 59 P 4.3060 0.0000 0.0000 62.1668 31.8104 174.8013 60 P 4.5170 0.0000 0.0000 62.6305 32.5415 175.0206 61 A 4.7872 8.3928 123.0963 50.3983 20.9429 175.4942 62 Y 4.6254 8.9043 119.9670 57.2189 40.5747 176.7610 63 G 4.1696 9.3275 109.5475 46.0718 0.0000 174.4598 64 R 3.8815 8.1222 119.7191 59.2480 29.9846 179.0259 65 D 4.3054 8.0858 118.0835 57.3253 40.9579 178.3664 66 A 3.9914 7.9747 120.8034 55.0329 18.3403 179.7001 67 V 3.5102 7.7444 116.7655 66.1147 31.1297 177.8754 68 E 3.8529 8.2484 119.1884 59.4914 29.4736 178.8526 69 Q 4.0919 8.3065 118.1408 59.0552 28.6542 178.8542 70 T 3.8548 8.0435 116.8597 66.6715 68.4715 176.7183 71 L 3.7369 8.1350 120.7891 57.6794 41.3874 179.4927 72 A 4.2560 8.1774 120.1251 54.9989 18.6242 179.6574 73 G 3.7008 8.1492 104.2894 47.9673 0.0000 175.8897 74 L 3.9700 7.9669 121.9501 57.4856 41.4646 179.3168 75 F 4.8007 7.9555 115.1250 59.5708 38.9637 177.2935 76 T 4.2321 7.8197 115.4551 65.4117 68.5496 175.5834 77 V 4.1106 7.5123 112.1653 61.4135 32.3255 174.8534 *79 S 4.6769 7.6685 115.1934 58.2595 63.9247 172.7822 80 I 4.5409 9.2478 128.4642 60.8769 36.7821 176.1441 81 D 4.5247 9.1273 128.6711 56.7226 41.6353 177.0392 82 A 4.5118 7.4911 116.7910 50.9920 22.5006 175.4686 83 V 4.7392 8.2763 119.6334 61.0878 34.7922 174.1839 84 E 4.4930 9.0127 128.1800 54.5966 32.7591 174.2164 85 T 4.4814 8.2580 123.4563 62.2299 69.2511 174.4843 86 F 4.6463 8.7366 127.0184 60.2422 39.8309 176.3424 87 H 5.2152 8.2765 114.4055 54.0714 32.8894 172.4827 88 I 5.2427 8.5634 121.8502 59.6359 41.4038 173.9931 89 G 4.4806 9.0470 114.3829 45.9808 0.0000 171.2761 90 S 5.3799 8.4368 112.2510 58.2142 65.6795 174.6198 91 S 4.6001 9.3403 115.1812 59.0878 67.0542 174.8206 92 N 4.1081 10.0405 119.4668 54.4362 35.6959 175.4123 93 G 3.9939 8.6521 104.1719 44.9699 0.0000 173.0894 94 L 4.9991 7.8712 119.4099 52.6198 45.2171 175.5993 95 V 4.8534 8.6457 123.0792 61.2782 34.5712 173.7849 96 Y 5.5593 9.3669 124.7245 56.4105 41.6235 174.5993 97 T 5.2162 9.3908 113.5567 60.0026 72.0326 172.1916 98 E 5.2083 9.5283 128.5698 54.7235 31.3830 174.8090 99 R 4.7351 9.2756 123.0174 55.0071 34.0683 173.6112 100 V 4.8378 8.2153 118.5365 61.1774 34.5184 173.6335 101 D 5.1904 8.9180 127.6427 52.5690 43.4182 175.4830 102 V 4.3786 8.8313 124.5110 61.9999 32.7605 174.4767 103 L 5.2768 8.9580 128.5595 52.8882 44.7274 175.5199 104 R 5.0657 8.9981 123.5087 54.4238 32.5450 174.6648 105 A 4.4698 9.1025 129.3281 51.2151 18.7569 178.0272 106 L 3.9568 9.0506 124.3328 57.7577 41.9870 178.3627 107 P 4.5024 0.0000 0.0000 64.6697 31.3870 176.9567 108 T 4.3691 7.2237 106.1807 60.2000 70.2400 175.2588 109 G 3.9176 8.3758 109.6343 45.6760 0.0000 173.3253 110 K 4.5887 7.6083 119.5917 55.2657 33.9634 175.9967 111 S 5.5044 8.5668 118.3479 57.3367 66.6367 172.7187 112 Y 4.8804 8.9908 121.4659 56.6522 42.6674 173.5321 113 N 4.8739 8.0397 123.9031 52.0113 39.4358 174.1259 114 L 4.4338 8.5167 127.9586 53.8250 43.6005 175.6140 115 S 5.0279 8.7656 123.2091 58.3171 63.7348 173.7844 116 I 5.1113 9.1249 125.2750 59.4327 41.5960 173.9803 117 L 5.2615 9.0502 127.8863 53.3781 44.5011 175.4091 118 G 5.0781 9.7626 112.7366 43.3015 0.0000 171.5888 119 V 5.0853 8.8304 120.0613 59.6492 34.9701 174.4989 120 F 5.1904 9.2464 121.6729 55.7830 42.8570 173.4032 121 Q 4.9936 9.3169 125.3964 54.4436 30.7644 174.0510 122 L 5.2898 8.2065 125.7719 53.2137 44.8825 176.2512 123 T 4.4221 8.6646 119.0470 63.0230 71.4334 174.3926 124 E 3.6524 9.9488 127.6432 57.4703 27.0579 175.9219 125 G 3.8772 8.1176 103.0536 45.6857 0.0000 173.2499 126 K 4.6058 7.6611 119.0022 54.1555 34.8632 175.3109 127 I 4.3688 8.3227 123.8636 61.4124 37.5827 176.6734 128 T 4.5032 9.2409 118.4973 62.8405 70.7021 174.8612 129 G 4.5475 7.7857 107.8067 44.9114 0.0000 172.1927 130 W 5.6917 8.8429 132.4181 55.8195 34.2138 173.6070 131 R 4.8069 9.1939 126.4654 54.4635 33.0127 174.1505 132 D 5.3579 8.4048 123.9911 52.7937 43.7277 174.8658 133 Y 4.6910 8.9792 121.3924 56.3145 40.5358 174.9591 134 F 4.9648 7.8893 117.3024 56.8511 40.4092 172.3075 135 D 4.7564 8.5720 118.5451 52.9338 42.1167 176.6025 136 L 4.4690 8.5390 128.3336 58.0422 42.2238 178.5575 137 R 3.8896 8.0389 118.6060 59.4017 30.2027 178.1747 138 E 3.8938 8.6526 117.4480 59.1691 29.6185 179.0128 139 F 3.4645 7.6316 118.2868 61.0199 39.6878 176.7271 140 E 3.7962 8.1235 119.6618 58.8636 29.0491 179.4937 141 E 3.9740 8.0153 117.0402 59.1639 29.5555 178.9198 142 A 4.0926 7.4165 119.6536 54.3678 18.5297 179.1355 143 V 4.1065 6.9890 106.6795 59.9312 32.7271 175.3822 144 D 4.2246 7.9242 117.2041 55.3663 38.4140 174.1413 145 L 4.5024 7.3625 120.4232 52.6605 43.8615 173.3611 146 P 4.9060 0.0000 0.0000 61.0466 30.0458 175.4601 147 L 4.0498 8.0767 127.6708 58.6505 42.7640 177.5909 148 R 4.1658 8.4874 115.9342 57.5023 31.0964 175.8506 149 G 4.0800 8.5663 110.0222 45.8453 0.0000 172.9041 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 5 I 8.02 4.15 1.89 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 1.39 1.05 0.99 0.00 0.00 6 E 8.56 4.18 0.00 1.98 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 2.25 2.31 0.00 7 Q 9.23 3.78 0.00 1.89 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 8 P 0.00 3.81 0.00 0.49 0.49 0.00 2.20 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.23 0.00 9 R 8.28 3.73 0.00 1.72 2.00 0.00 3.18 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 10 W 7.15 4.45 0.00 3.46 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 11 A 7.09 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 9.05 4.24 0.00 3.96 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 13 K 8.42 4.41 0.00 1.77 1.81 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.36 7.81 14 D 7.89 4.47 0.00 2.81 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 15 S 8.81 4.10 0.00 3.91 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 16 A 8.61 4.37 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 17 A 7.77 4.27 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 18 G 9.13 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 0.00 0.00 0.00 19 A 7.59 4.55 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 20 A 8.48 4.30 1.25 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 0.00 0.00 21 S 9.36 4.74 0.00 3.90 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 22 T 7.34 4.73 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 23 P 0.00 4.21 0.00 2.15 2.13 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 2.17 0.00 24 D 7.97 4.33 0.00 2.65 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 25 E 8.18 3.91 0.00 2.17 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 2.32 2.31 0.00 26 K 8.16 3.89 0.00 1.80 1.98 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.46 7.81 27 I 7.65 3.70 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.49 0.87 0.00 0.00 28 V 7.41 3.12 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 -0.07 0.00 0.00 0.39 0.00 0.00 29 L 7.66 4.02 0.00 1.61 1.64 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.23 4.15 0.00 2.31 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 0.00 2.35 2.48 0.00 31 F 7.95 3.66 0.00 2.47 2.65 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 *33 D 8.19 4.43 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 34 A 7.50 3.88 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 35 L 7.36 3.83 0.00 1.59 1.72 0.89 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.42 4.44 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 1.20 0.00 0.00 37 S 7.79 4.06 0.00 3.96 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 38 N 7.43 2.00 0.00 2.55 2.42 0.00 0.00 6.69 8.22 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 39 D 7.11 4.54 0.00 2.65 2.43 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 40 A 8.71 4.24 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 41 A 8.03 4.26 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 42 K 8.25 4.13 0.00 2.02 2.07 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.61 1.58 7.81 43 L 8.18 4.55 0.00 2.17 2.20 1.20 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.31 3.97 2.05 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.28 1.09 0.00 0.00 45 E 7.96 4.16 0.00 2.18 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 2.58 2.51 0.00 46 Y 8.61 4.00 0.00 2.81 2.37 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 47 F 7.74 4.91 0.00 3.17 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 48 A 8.36 4.37 1.34 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 0.00 0.00 49 E 8.81 4.01 0.00 2.05 2.05 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 2.44 2.27 0.00 50 D 7.93 4.80 0.00 2.69 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 51 T 7.75 5.29 4.55 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 1.43 0.00 0.00 *53 Y 8.40 5.06 0.00 3.13 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 54 Q 8.27 3.98 0.00 1.78 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.48 0.00 0.00 0.00 0.00 0.00 1.87 2.10 0.00 55 N 7.49 4.57 0.00 2.53 2.75 0.00 0.00 7.10 8.03 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 *57 P 0.00 4.14 0.00 1.84 1.94 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.63 0.00 58 L 7.59 4.79 0.00 1.49 1.40 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.31 0.00 1.98 1.95 0.00 3.59 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 1.98 2.03 0.00 60 P 0.00 4.52 0.00 1.79 2.10 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.07 0.00 61 A 8.39 4.79 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 62 Y 8.90 4.63 0.00 2.84 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 63 G 9.33 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 0.00 0.00 0.00 64 R 8.12 3.88 0.00 2.21 1.97 0.00 3.34 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 65 D 8.09 4.31 0.00 2.74 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 66 A 7.97 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 67 V 7.74 3.51 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 0.40 0.00 0.00 0.95 0.00 0.00 68 E 8.25 3.85 0.00 2.11 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 2.33 2.38 0.00 69 Q 8.31 4.09 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 70 T 8.04 3.85 4.48 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 1.23 0.00 0.00 71 L 8.13 3.74 0.00 1.84 1.75 0.89 0.49 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 72 A 8.18 4.26 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 0.00 0.00 0.00 0.00 0.00 73 G 8.15 3.70 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 0.00 0.00 0.00 74 L 7.97 3.97 0.00 1.47 1.46 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 75 F 7.96 4.80 0.00 3.05 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 76 T 7.82 4.23 4.47 0.00 0.00 0.00 0.00 0.00 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 77 V 7.51 4.11 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 0.76 0.00 0.00 1.01 0.00 0.00 *79 S 7.67 4.68 0.00 3.98 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 80 I 9.25 4.54 1.95 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.85 0.92 0.00 0.00 81 D 9.13 4.52 0.00 2.56 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.49 4.51 1.16 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 0.00 0.00 83 V 8.28 4.74 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 0.81 0.00 0.00 0.88 0.00 0.00 84 E 9.01 4.49 0.00 1.89 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 1.64 2.07 0.00 85 T 8.26 4.48 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 1.24 0.00 0.00 86 F 8.74 4.65 0.00 3.04 2.85 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 87 H 8.28 5.22 0.00 3.23 3.22 0.00 5.58 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 88 I 8.56 5.24 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.12 0.97 0.00 0.00 89 G 9.05 4.48 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 0.00 90 S 8.44 5.38 0.00 3.97 3.84 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 91 S 9.34 4.60 0.00 4.01 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 92 N 10.04 4.11 0.00 2.89 2.91 0.00 0.00 7.17 7.65 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 93 G 8.65 3.99 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 0.00 94 L 7.87 5.00 0.00 1.66 1.06 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.65 4.85 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 1.09 0.00 0.00 0.88 0.00 0.00 96 Y 9.37 5.56 0.00 2.93 2.88 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 97 T 9.39 5.22 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 1.30 0.00 0.00 98 E 9.53 5.21 0.00 2.26 2.20 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 2.78 2.48 0.00 99 R 9.28 4.74 0.00 1.83 1.87 0.00 2.79 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 100 V 8.22 4.84 2.02 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 1.01 0.00 0.00 1.21 0.00 0.00 101 D 8.92 5.19 0.00 2.56 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 8.83 4.38 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 1.07 0.00 0.00 0.96 0.00 0.00 103 L 8.96 5.28 0.00 1.70 1.60 0.13 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 0.00 104 R 9.00 5.07 0.00 1.94 1.84 0.00 3.28 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 1.57 1.59 0.00 105 A 9.10 4.47 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 0.00 106 L 9.05 3.96 0.00 1.74 1.77 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.50 0.00 2.03 2.11 0.00 3.57 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 108 T 7.22 4.37 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 1.28 0.00 0.00 109 G 8.38 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 0.00 110 K 7.61 4.59 0.00 1.67 1.74 0.00 1.58 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.58 7.81 111 S 8.57 5.50 0.00 3.78 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 0.00 112 Y 8.99 4.88 0.00 3.21 3.13 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 0.00 113 N 8.04 4.87 0.00 2.38 2.63 0.00 0.00 6.90 7.85 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 0.00 114 L 8.52 4.43 0.00 1.64 1.42 1.11 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.77 5.03 0.00 3.97 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 0.00 116 I 9.12 5.11 1.99 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 1.05 0.92 1.18 0.00 0.00 117 L 9.05 5.26 0.00 1.86 1.59 1.09 0.89 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 0.00 118 G 9.76 5.08 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 0.00 119 V 8.83 5.09 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 0.91 0.00 0.00 0.65 0.00 0.00 120 F 9.25 5.19 0.00 2.85 2.83 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 0.00 121 Q 9.32 4.99 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.49 0.00 122 L 8.21 5.29 0.00 1.48 1.47 0.86 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.66 4.42 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 1.22 0.00 0.00 124 E 9.95 3.65 0.00 2.02 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 2.23 2.22 0.00 125 G 8.12 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 0.00 126 K 7.66 4.61 0.00 1.87 1.74 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.48 7.81 127 I 8.32 4.37 0.84 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.22 0.77 0.00 0.00 128 T 9.24 4.50 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 1.26 0.00 0.00 129 G 7.79 4.55 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 0.00 130 W 8.84 5.69 0.00 3.33 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 0.00 131 R 9.19 4.81 0.00 1.84 1.60 0.00 3.12 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.54 0.00 132 D 8.40 5.36 0.00 2.56 2.83 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 0.00 133 Y 8.98 4.69 0.00 3.06 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 0.00 134 F 7.89 4.96 0.00 3.09 3.13 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 0.00 135 D 8.57 4.76 0.00 2.88 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 0.00 136 L 8.54 4.47 0.00 1.84 1.66 1.27 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 137 R 8.04 3.89 0.00 1.92 2.06 0.00 3.34 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 138 E 8.65 3.89 0.00 2.29 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 0.00 2.74 2.49 0.00 139 F 7.63 3.46 0.00 3.14 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 0.00 140 E 8.12 3.80 0.00 2.11 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 0.00 2.42 2.44 0.00 141 E 8.02 3.97 0.00 1.89 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 2.29 2.39 0.00 142 A 7.42 4.09 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 0.00 143 V 6.99 4.11 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 0.86 0.00 0.00 0.39 0.00 0.00 144 D 7.92 4.22 0.00 2.80 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 0.00 145 L 7.36 4.50 0.00 1.53 1.24 0.89 0.87 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 0.00 146 P 0.00 4.91 0.00 2.19 2.03 0.00 3.79 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 147 L 8.08 4.05 0.00 1.66 1.81 0.97 1.13 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 0.00 148 R 8.49 4.17 0.00 1.79 2.01 0.00 3.29 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 149 G 8.57 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 * Residues marked with a * may have inaccurate shift predictions.