NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *10 C 4.5807 8.1876 117.6236 57.0709 30.1342 173.5842 11 P 4.2746 0.0000 0.0000 63.5024 32.6109 173.5848 12 L 5.0897 7.4390 120.9579 53.5266 45.1379 176.3515 13 M 4.9202 9.1580 125.3953 53.6731 36.3359 173.8271 14 V 4.8564 8.2516 123.3153 60.8943 34.9702 174.0676 15 K 4.9898 9.1000 128.4938 54.5538 35.6511 174.7547 16 V 4.7815 8.8066 126.4782 61.0784 34.6471 174.1306 17 L 5.0519 8.8845 127.0575 52.8872 45.9028 174.8667 18 D 5.2148 9.0428 121.6629 52.8099 42.5090 176.4972 19 A 4.3846 9.4228 128.4598 53.4113 18.6804 178.4561 20 V 3.9070 8.8357 115.4879 64.9149 31.9163 177.0579 21 R 4.3569 8.4668 115.3140 55.2431 31.4949 175.5405 22 G 3.8204 8.5491 105.4958 45.4604 0.0000 172.4042 23 S 4.6931 7.2927 111.6411 56.1907 67.0745 173.4121 24 P 4.5428 0.0000 0.0000 63.0345 31.9873 176.3169 25 A 4.3245 8.6033 125.5139 51.0674 19.4619 176.2291 26 I 4.2768 8.3246 122.5745 61.0863 39.0892 175.5462 27 N 4.1517 8.6459 122.9769 54.5768 37.8876 173.7195 28 V 4.0932 7.7244 116.6110 61.3579 32.9756 174.9330 29 A 4.5912 8.5650 129.8369 51.8941 20.0133 176.1195 30 V 4.7783 8.8119 121.5685 61.3621 35.0067 173.8869 31 H 5.1661 9.3787 124.8873 53.8462 31.9831 172.8710 32 V 4.8185 8.8225 122.8093 61.1406 34.2117 174.3467 33 F 5.5604 9.3992 125.2905 55.7410 43.3960 173.6989 34 R 4.7855 9.1680 121.2706 54.1526 32.9148 174.6887 35 K 3.9325 8.6253 128.0678 56.2616 32.7842 176.5237 36 A 4.4298 8.8850 129.5761 50.3534 20.6891 177.9512 37 A 3.8034 8.4909 121.7460 55.3604 18.4701 178.4319 38 D 4.4706 7.9875 114.9699 54.3034 39.3769 177.5348 *39 D 4.7906 8.0275 117.9400 53.3773 38.8678 178.6163 40 T 4.2611 7.7808 108.9456 61.7648 70.9813 173.8454 41 W 4.9693 8.5927 125.1181 56.4088 30.2258 176.1544 42 E 4.9440 9.2695 123.6969 53.9215 31.8207 170.2188 43 P 4.4958 0.0000 0.0000 63.0960 31.5237 175.1651 44 F 4.8423 8.8816 124.2233 59.4920 41.6179 174.5920 45 A 4.5358 7.6419 117.2202 51.6751 22.3457 174.9749 46 S 4.5827 7.5573 112.5163 57.6036 65.5842 174.6248 47 G 3.8802 7.2602 106.4864 45.6838 0.0000 171.6623 48 K 5.1434 8.3320 117.8940 54.2606 35.5047 176.8269 49 T 4.1957 8.6730 114.9350 61.9794 70.1727 174.5295 50 S 4.8494 8.8087 119.1452 57.6057 64.9367 174.5712 51 E 3.9181 8.8774 118.5421 59.2490 29.1429 178.2434 52 S 4.3217 7.9381 111.5253 58.0804 63.5736 175.1274 53 G 3.9168 8.4598 110.3172 45.1182 0.0000 172.6676 54 E 5.0329 7.5605 117.5894 54.2279 33.0340 175.0134 55 L 4.9072 8.8555 124.4081 53.9399 44.5604 175.2236 56 H 4.8944 8.8484 123.0198 54.4236 31.6371 174.7060 57 G 3.8866 8.7024 105.5365 46.6420 0.0000 175.2161 58 L 3.9734 7.9334 121.7454 57.4572 41.7243 176.6180 59 T 4.4345 7.2856 110.0477 60.3008 70.6199 172.0893 60 T 4.8117 8.1792 114.9731 59.8373 72.6648 175.0773 61 E 4.2147 8.9633 123.3385 62.2745 29.7260 180.2609 62 E 4.4041 8.1862 117.6897 60.8862 29.9297 180.4041 63 E 4.6163 8.0057 117.8083 57.5482 31.1862 177.8972 64 F 5.0372 7.9097 122.5352 56.2650 36.3502 174.9882 65 V 4.0036 7.0493 114.7183 59.9346 33.1613 176.1242 66 E 4.0757 8.5897 120.6692 56.4833 30.0950 177.4745 67 G 3.7231 7.2905 108.0984 46.7004 0.0000 170.3876 68 I 4.8313 7.1519 119.9504 59.8624 39.1906 174.9679 69 Y 5.1733 8.7434 124.0676 55.8964 41.9396 174.3747 70 K 4.8017 8.9552 123.0479 54.5504 35.3281 174.7393 71 V 4.7688 9.2690 127.7439 61.2099 33.8052 173.5974 72 E 4.9932 9.6321 129.8571 54.5141 32.0623 174.2908 73 I 4.6020 8.7498 128.3698 59.6395 39.3032 175.5693 74 D 5.0658 8.8916 129.0232 53.5284 38.2709 176.6279 75 T 3.8811 7.7828 114.7311 63.9510 69.3743 176.6622 76 K 4.1251 8.0738 122.1360 59.6775 32.3888 178.8046 77 S 4.1564 8.3895 115.4594 61.3659 62.2224 176.3374 78 F 4.0353 7.9073 123.0822 61.3399 39.0972 177.3729 79 W 4.3401 8.3573 120.8162 60.1470 28.7680 179.3327 80 K 4.0351 8.4547 123.7326 59.8287 30.9188 181.7583 81 A 4.2376 7.8417 120.9415 54.3902 18.3558 178.7836 82 L 4.3037 7.1778 113.9638 54.2755 41.9999 177.5228 83 G 3.9149 7.7748 107.0209 45.9890 0.0000 173.2188 84 I 4.3598 7.7120 120.0353 58.8362 38.8801 175.5418 85 S 4.2531 8.7047 120.4229 57.5552 62.2324 171.5446 86 P 4.6835 0.0000 0.0000 61.4874 33.1385 175.5101 87 F 3.9433 8.2032 121.9857 60.6926 39.6217 176.2600 88 H 4.4321 7.8237 115.5921 54.9714 29.6221 175.4498 89 E 4.0602 8.6130 122.2155 59.6640 29.5141 176.3054 90 H 4.9606 7.6661 110.3017 55.8743 31.5526 172.5982 91 A 4.4795 8.7127 122.7623 50.6589 21.1014 176.3354 92 E 5.1661 8.7903 118.8238 54.6427 33.8300 173.6830 93 V 4.5024 8.9300 123.4547 60.4320 34.6391 174.2157 94 V 5.1074 8.6741 127.8036 61.1285 33.7899 174.3478 95 F 5.1419 9.0588 121.5423 56.2205 41.7712 172.9094 96 T 4.9862 8.6909 116.4952 62.1721 69.7919 174.1506 97 A 4.5827 8.9948 129.2493 51.3450 20.1226 175.7913 98 N 5.2675 8.9429 119.9311 51.3630 41.8443 174.2735 99 D 4.3923 9.8736 127.1408 54.6827 41.6237 177.4344 *100 S 4.2841 8.6081 117.1606 57.7448 64.0762 172.4885 101 G 3.9571 8.4029 111.2453 43.7779 0.0000 171.9283 102 P 4.5120 0.0000 0.0000 62.5783 32.0092 176.2741 103 R 5.1157 8.8237 125.6006 54.9259 33.9624 175.6129 104 R 4.9604 9.2449 123.1219 55.3095 33.0228 173.3089 105 Y 5.0065 9.3247 121.4354 55.8216 40.6087 174.7771 106 T 4.8794 8.9462 121.4704 61.8457 71.4628 173.1836 107 I 4.6423 8.7894 128.2779 59.7678 39.0070 174.6927 108 A 5.3308 8.8301 128.9121 50.0474 22.1971 174.8756 109 A 5.1643 8.8455 121.3466 50.0703 23.0701 174.7643 110 L 4.9764 9.2287 124.5680 53.3158 44.5555 174.9194 111 L 5.3434 9.0557 126.9459 53.4284 43.9939 175.9012 112 S 5.2287 9.4113 118.7661 56.0121 66.9691 173.4803 113 P 3.0468 0.0000 0.0000 65.0827 31.0991 177.7990 114 Y 4.6836 7.8022 112.1965 57.2392 38.5977 175.1122 115 S 4.8009 7.9506 114.1479 57.5829 66.0091 172.7580 116 Y 5.5639 7.8799 118.9175 55.8093 41.0673 173.9356 117 S 4.9491 9.1736 115.0604 56.9760 66.1924 172.8066 118 T 5.2201 8.4452 115.2320 60.9775 70.6252 172.4304 119 T 4.8388 8.8746 120.3582 60.4888 71.7139 171.8635 120 A 5.1095 8.5432 126.3631 49.9985 21.6252 175.9125 121 V 4.1928 8.7281 122.4905 61.0820 33.9756 174.4854 122 V 4.7379 8.3592 128.4266 61.2583 33.2544 174.5880 123 T 4.7016 8.5685 117.4171 59.8335 72.7234 174.0685 124 N 5.4859 8.5354 118.1141 53.0955 38.7844 175.2770 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 *10 C 8.19 4.58 0.00 2.83 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.27 0.00 2.40 2.50 0.00 3.70 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 1.93 2.25 0.00 12 L 7.44 5.09 0.00 0.69 1.09 0.79 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.16 4.92 0.00 1.96 1.74 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.46 0.00 14 V 8.25 4.86 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 0.80 0.00 0.00 0.87 0.00 0.00 15 K 9.10 4.99 0.00 1.74 1.53 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 1.29 7.81 16 V 8.81 4.78 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 0.60 0.00 0.00 0.78 0.00 0.00 17 L 8.88 5.05 0.00 1.58 1.51 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.04 5.21 0.00 2.71 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 19 A 9.42 4.38 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.84 3.91 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.99 0.00 0.00 21 R 8.47 4.36 0.00 2.03 2.01 0.00 3.42 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 22 G 8.55 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 0.00 0.00 0.00 23 S 7.29 4.69 0.00 3.89 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 24 P 0.00 4.54 0.00 2.01 2.16 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 25 A 8.60 4.32 0.49 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 26 I 8.32 4.28 1.90 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 1.47 0.81 0.93 0.00 0.00 27 N 8.65 4.15 0.00 2.84 2.92 0.00 0.00 7.10 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 28 V 7.72 4.09 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 0.77 0.00 0.00 0.56 0.00 0.00 29 A 8.57 4.59 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 30 V 8.81 4.78 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 0.91 0.00 0.00 0.90 0.00 0.00 31 H 9.38 5.17 0.00 2.96 2.59 0.00 5.62 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 32 V 8.82 4.82 2.31 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 1.27 0.00 0.00 0.93 0.00 0.00 33 F 9.40 5.56 0.00 2.96 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 34 R 9.17 4.79 0.00 1.50 1.73 0.00 2.82 0.00 0.00 3.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.53 0.00 35 K 8.63 3.93 0.00 0.97 1.27 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.95 0.36 7.81 36 A 8.89 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 37 A 8.49 3.80 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 38 D 7.99 4.47 0.00 2.72 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 *39 D 8.03 4.79 0.00 2.89 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 40 T 7.78 4.26 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 1.20 0.00 0.00 41 W 8.59 4.97 0.00 2.98 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 42 E 9.27 4.94 0.00 1.63 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 2.15 2.13 0.00 43 P 0.00 4.50 0.00 2.01 2.08 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.41 0.00 44 F 8.88 4.84 0.00 3.09 3.16 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 45 A 7.64 4.54 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 46 S 7.56 4.58 0.00 3.72 3.54 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 47 G 7.26 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 48 K 8.33 5.14 0.00 1.56 1.64 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.31 7.81 49 T 8.67 4.20 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 50 S 8.81 4.85 0.00 3.87 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 0.00 51 E 8.88 3.92 0.00 2.23 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 2.31 1.87 0.00 52 S 7.94 4.32 0.00 4.00 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 53 G 8.46 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 54 E 7.56 5.03 0.00 1.98 1.70 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 2.17 2.36 0.00 55 L 8.86 4.91 0.00 1.59 1.40 0.92 0.90 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 56 H 8.85 4.89 0.00 3.03 3.16 0.00 5.85 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.70 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.93 3.97 0.00 1.54 1.68 0.84 0.74 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 59 T 7.29 4.43 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 0.99 0.00 0.00 60 T 8.18 4.81 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 1.20 0.00 0.00 61 E 8.96 4.21 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.96 0.00 62 E 8.19 4.40 0.00 2.06 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 0.00 2.23 1.97 0.00 63 E 8.01 4.62 0.00 2.26 2.19 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 2.32 2.18 0.00 64 F 7.91 5.04 0.00 3.14 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 65 V 7.05 4.00 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 0.82 0.00 0.00 0.97 0.00 0.00 66 E 8.59 4.08 0.00 1.81 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 2.44 2.45 0.00 67 G 7.29 3.72 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 0.00 0.00 0.00 68 I 7.15 4.83 1.69 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 1.29 0.65 1.10 0.00 0.00 69 Y 8.74 5.17 0.00 1.76 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.96 4.80 0.00 0.79 0.85 0.00 0.77 0.00 0.00 1.12 0.00 0.00 2.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 0.91 7.81 71 V 9.27 4.77 2.19 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 0.96 0.00 0.00 1.15 0.00 0.00 72 E 9.63 4.99 0.00 1.97 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 0.00 2.17 2.02 0.00 73 I 8.75 4.60 1.72 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.47 0.75 0.00 0.00 74 D 8.89 5.07 0.00 2.79 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.78 3.88 4.46 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 1.14 0.00 0.00 76 K 8.07 4.13 0.00 2.21 1.90 0.00 1.81 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.59 7.81 77 S 8.39 4.16 0.00 4.04 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 78 F 7.91 4.04 0.00 2.89 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 79 W 8.36 4.34 0.00 3.49 3.37 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 80 K 8.45 4.04 0.00 1.76 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.33 7.81 81 A 7.84 4.24 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 82 L 7.18 4.30 0.00 1.74 1.70 0.35 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.77 3.91 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 0.00 0.00 0.00 84 I 7.71 4.36 2.12 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 1.23 0.92 0.74 0.00 0.00 85 S 8.70 4.25 0.00 3.88 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.68 0.00 2.30 2.16 0.00 3.84 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.11 0.00 87 F 8.20 3.94 0.00 1.51 2.54 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 88 H 7.82 4.43 0.00 3.27 3.43 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.61 4.06 0.00 1.80 1.98 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 2.18 2.16 0.00 90 H 7.67 4.96 0.00 3.28 3.25 0.00 5.10 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.71 4.48 0.33 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 92 E 8.79 5.17 0.00 1.71 1.68 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 2.11 1.83 0.00 93 V 8.93 4.50 2.19 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 1.01 0.00 0.00 0.99 0.00 0.00 94 V 8.67 5.11 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 1.13 0.00 0.00 0.91 0.00 0.00 95 F 9.06 5.14 0.00 3.20 3.15 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 96 T 8.69 4.99 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 1.29 0.00 0.00 97 A 8.99 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.94 5.27 0.00 2.97 2.76 0.00 0.00 7.10 8.17 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 99 D 9.87 4.39 0.00 2.75 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *100 S 8.61 4.28 0.00 3.61 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 0.00 101 G 8.40 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 0.00 0.00 0.00 102 P 0.00 4.51 0.00 2.10 2.03 0.00 3.55 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 2.12 2.13 0.00 103 R 8.82 5.12 0.00 1.58 1.54 0.00 3.30 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.57 0.00 104 R 9.24 4.96 0.00 1.43 1.75 0.00 3.23 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.44 0.00 105 Y 9.32 5.01 0.00 2.86 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 0.00 106 T 8.95 4.88 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 1.16 0.00 0.00 107 I 8.79 4.64 1.80 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.93 0.87 0.00 0.00 108 A 8.83 5.33 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 0.00 109 A 8.85 5.16 1.15 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 0.00 110 L 9.23 4.98 0.00 1.76 1.59 0.98 0.49 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 0.00 111 L 9.06 5.34 0.00 1.80 2.04 0.43 0.53 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 0.00 112 S 9.41 5.23 0.00 3.92 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 0.00 113 P 0.00 3.05 0.00 2.07 1.73 0.00 3.33 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.65 0.00 114 Y 7.80 4.68 0.00 2.79 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 0.00 115 S 7.95 4.80 0.00 3.92 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 7.88 5.56 0.00 3.07 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 0.00 117 S 9.17 4.95 0.00 3.92 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.45 5.22 4.42 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 1.35 0.00 0.00 119 T 8.87 4.84 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 1.20 0.00 0.00 120 A 8.54 5.11 1.13 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 0.00 121 V 8.73 4.19 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 0.97 0.00 0.00 0.90 0.00 0.00 122 V 8.36 4.74 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.67 0.00 0.00 123 T 8.57 4.70 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 1.16 0.00 0.00 124 N 8.54 5.49 0.00 2.98 2.75 0.00 0.00 7.13 7.56 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 * Residues marked with a * may have inaccurate shift predictions.