NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4819 8.3349 115.4153 57.8309 64.2930 173.5759 1 L 3.9524 8.3825 119.9623 56.0417 41.6514 174.9603 2 E 4.2587 8.4961 119.6381 56.6594 31.3217 174.8505 3 A 4.7432 7.7147 119.2387 50.0732 22.5104 174.6973 4 V 4.4731 8.1622 119.0875 61.9101 33.5592 174.5542 5 T 5.0551 9.5646 125.1799 62.1071 70.7249 173.4672 6 I 4.7315 8.8697 127.6670 59.3051 39.9694 174.4840 7 L 4.6042 8.6943 130.0687 54.3957 43.4200 174.9305 8 L 5.1746 9.0457 128.9248 53.2290 44.7121 174.7234 9 A 5.3267 9.1685 128.9489 50.4606 21.2275 174.1936 10 D 5.3080 9.0752 121.0021 53.9195 44.5327 175.8309 11 D 4.5860 9.4731 126.6169 57.3791 41.4417 176.3785 12 E 4.3390 8.2003 117.5434 55.3738 32.0876 177.2036 13 A 3.9876 8.4783 123.9274 55.2960 18.7113 180.0702 14 I 3.5699 7.6593 111.1340 64.2838 37.4562 178.2990 15 L 3.4521 7.6210 120.3676 56.7372 41.5989 178.6913 16 L 4.0852 7.8782 120.2889 58.5093 42.0329 179.2452 17 L 4.1049 7.7289 118.1652 57.4443 41.4502 179.1077 18 D 4.1797 7.6604 117.6792 57.4313 41.2325 178.3410 19 F 4.5441 8.4401 119.1074 60.4604 38.8026 177.2781 20 E 4.0192 8.7601 119.6919 59.4789 29.4304 179.1604 21 S 4.3877 8.1676 115.5816 61.0281 62.9562 176.3350 22 T 3.9174 7.9706 119.4095 66.7234 68.2747 176.5005 23 L 4.2580 8.2100 120.9392 58.0106 41.5326 179.7013 24 T 4.6210 8.3092 111.4785 64.4575 68.5031 176.4175 25 D 4.3955 8.3340 121.0415 56.9528 40.9509 177.8271 26 A 4.3041 7.6793 118.8154 52.3864 18.7562 177.9656 27 G 3.8504 7.7149 105.0909 44.6683 0.0000 174.0315 28 F 4.7753 8.0982 119.0869 56.5953 40.8756 175.1389 29 L 4.5910 8.8844 122.6146 54.5318 43.0209 176.0336 30 V 4.8106 8.3775 122.3067 61.5035 34.1498 174.7663 31 T 4.4762 8.9730 125.2845 62.2460 69.6247 173.3174 32 A 5.0574 8.4816 128.9405 50.6117 20.4245 176.3892 33 V 4.6212 9.1988 115.8380 59.5301 36.0910 176.5560 34 S 5.0531 8.9134 114.9497 57.4875 63.6957 174.2290 35 S 4.0869 7.3085 115.3744 55.8145 66.8658 174.9227 36 G 3.1846 6.7629 110.2400 47.0678 0.0000 175.7556 37 A 3.9269 7.6359 122.6294 54.9589 18.2067 179.7858 38 K 3.8865 7.8128 115.6001 59.2982 32.1623 179.1234 39 A 4.0960 7.6581 120.1761 55.2986 18.5200 179.4639 40 I 3.8453 7.8987 118.4327 64.2800 36.9769 178.6173 41 E 4.0113 7.9197 116.4709 57.3384 28.8772 178.1937 *43 L 4.2564 7.8419 119.0900 54.4217 43.4841 178.8616 44 K 3.9569 8.2258 115.8043 57.7388 32.2307 178.1732 45 S 4.1650 7.6376 113.5261 59.4231 63.2390 175.4579 46 G 3.8808 7.6715 108.7298 44.8353 0.0000 173.5935 47 A 3.9131 7.3766 121.8475 51.8058 18.8022 177.8476 48 A 4.0993 8.4894 124.3259 52.2713 17.8699 177.1160 49 I 4.4821 8.1687 122.7436 60.6270 39.3289 175.6897 50 D 4.7437 8.7561 125.3298 55.0217 42.0317 176.5557 51 G 4.0716 7.4601 103.6132 45.4672 0.0000 172.5053 52 V 4.8478 8.3720 119.9771 60.8617 34.9466 174.2420 53 V 4.6084 8.8999 128.4661 61.4109 33.6266 174.0731 54 T 5.1581 8.6205 122.6022 60.0171 71.0301 173.0661 55 D 5.3492 8.8353 127.6465 54.4860 41.9110 177.6790 56 I 3.1298 8.0507 121.0722 63.5997 38.2630 176.2706 57 R 4.5938 7.3917 119.0663 54.2111 31.8198 175.4093 58 F 5.1732 8.0910 119.6768 54.5992 42.1835 175.0972 59 C 4.3555 9.0436 118.2800 62.7298 27.9442 174.4782 60 Q 4.7214 7.6848 115.0606 52.9464 32.2387 173.2437 61 P 4.5238 0.0000 0.0000 61.9009 32.3188 174.7743 62 P 4.4681 0.0000 0.0000 62.6050 32.2251 176.1936 63 D 5.0636 8.5732 121.2868 52.6076 42.3311 177.5474 64 G 4.1697 8.6390 107.3308 47.0653 0.0000 175.9691 65 W 4.6377 7.7516 120.9025 60.0262 29.1327 178.1439 66 Q 4.1279 8.9645 119.6947 58.8875 28.4500 178.1302 67 V 3.6095 7.9331 119.3380 66.1338 31.5591 177.9375 68 A 4.0552 8.2926 120.3734 55.1250 18.1815 179.8347 69 R 3.9178 8.0336 116.3380 59.3865 30.2023 179.3821 70 V 3.5715 7.9105 117.7600 65.9991 31.4685 177.7096 71 A 3.9993 8.1470 120.4902 55.5426 17.7440 179.8342 72 R 4.5830 8.1848 117.4411 58.3982 29.9059 179.0642 73 E 4.0387 8.1551 118.2301 59.4060 29.5114 179.1111 74 I 4.1512 7.5244 118.7204 62.8625 37.7128 176.0489 75 D 4.5393 8.4184 121.7720 51.7345 42.7062 173.8070 76 P 4.4809 0.0000 0.0000 64.2682 31.5088 176.1256 77 N 4.7072 8.0787 116.7778 51.0534 40.1234 172.5357 *79 P 4.2253 0.0000 0.0000 62.4288 33.4964 175.3959 80 I 4.8096 8.1524 124.0405 59.3998 40.9056 174.2689 81 V 4.5649 8.4685 127.4871 61.1841 33.9984 173.9098 82 Y 4.9578 8.7125 126.1122 57.0182 40.1219 174.6728 83 I 4.9163 8.7831 124.1574 59.5210 40.3777 174.7596 84 S 4.7889 8.9887 121.3975 56.6571 66.1960 175.5338 85 G 3.4558 8.9802 110.8191 48.4782 0.0000 173.3227 86 H 4.5322 7.3769 114.2417 55.5340 32.1026 173.9686 87 A 4.2970 8.0147 131.7679 51.9884 18.8088 177.5804 88 A 4.6792 8.4129 123.8723 53.2882 20.0907 177.8978 89 L 4.1370 7.8756 118.4833 57.6389 42.2693 178.3940 90 E 3.9645 8.3340 118.0884 58.7054 29.2724 178.5707 91 W 3.7191 8.3525 128.7300 60.2525 30.4736 177.7180 92 A 3.6624 7.9020 119.8373 54.0988 17.8372 178.6517 93 S 4.3721 7.6050 109.8557 58.4447 64.4678 174.4287 94 N 4.3767 7.0037 117.5601 52.8209 40.5278 175.3199 95 G 3.5740 6.9345 106.6646 45.1920 0.0000 173.7220 96 V 4.0723 8.5523 114.3311 59.3155 32.7822 174.5547 97 P 4.1868 0.0000 0.0000 64.1487 31.6187 176.1142 98 D 4.5418 8.7883 119.4378 55.3136 38.2884 174.0150 99 S 4.8642 7.8207 113.6669 57.8209 64.9739 173.2231 100 I 4.4835 8.3719 120.5788 59.4146 40.0984 174.5175 101 I 4.7272 7.6474 126.2530 59.1697 40.0442 174.2777 102 L 4.4909 8.6218 129.8400 52.7804 43.5912 174.9732 103 E 5.1944 8.5037 122.2856 54.1353 31.5048 176.0937 104 K 4.2899 8.8778 123.9548 56.1725 32.6777 175.0593 105 P 4.5351 0.0000 0.0000 62.0326 32.5570 175.1318 106 F 5.0979 7.6424 114.2978 54.7832 41.3714 174.2811 107 T 4.5374 8.9365 112.8374 60.1109 71.9035 175.8578 108 S 4.2394 8.5843 116.1422 61.7639 62.6921 176.3715 109 A 4.0451 8.0688 123.8106 55.0526 18.1991 179.4206 110 Q 3.9401 8.1670 116.4958 58.9352 28.7897 178.9083 111 L 3.8315 7.9935 120.9686 58.2136 42.1312 179.1438 112 I 3.7913 7.8941 119.7270 64.6487 36.9913 178.5122 113 T 3.8530 8.2605 116.6538 66.5403 68.4141 176.4219 114 A 3.9024 7.9541 122.5093 55.1441 18.4407 179.8734 115 V 3.3937 7.6912 116.5573 66.2765 31.5442 178.4512 116 S 4.2687 8.3225 115.0796 61.6293 62.7941 176.4103 117 Q 3.9765 8.3071 122.3974 59.3329 28.5743 178.4876 118 L 4.0587 7.6377 118.5277 57.5936 41.8008 179.1424 119 L 4.1644 8.0776 119.0911 57.9438 41.3690 179.3179 120 N 4.3713 8.4329 115.5256 55.9918 38.5576 176.6713 121 A 4.2346 7.7539 119.7492 53.3074 18.6546 178.9629 122 R 3.8964 7.5580 116.9678 57.5684 30.2438 176.4344 123 E 4.1304 8.1978 121.0074 56.8832 29.7363 174.1741 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 0 S 8.33 4.48 0.00 4.00 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 1 L 8.38 3.95 0.00 1.74 1.77 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 2 E 8.50 4.26 0.00 1.90 1.96 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 2.22 2.34 0.00 3 A 7.71 4.74 1.22 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 0.00 0.00 4 V 8.16 4.47 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 1.30 0.00 0.00 0.97 0.00 0.00 5 T 9.56 5.06 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 1.26 0.00 0.00 6 I 8.87 4.73 1.77 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.39 0.75 0.00 0.00 7 L 8.69 4.60 0.00 1.76 1.52 0.99 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 8 L 9.05 5.17 0.00 1.77 1.51 1.02 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 9 A 9.17 5.33 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 10 D 9.08 5.31 0.00 2.91 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 11 D 9.47 4.59 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 12 E 8.20 4.34 0.00 2.21 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 2.29 2.30 0.00 13 A 8.48 3.99 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 14 I 7.66 3.57 1.78 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 1.59 0.51 0.86 0.00 0.00 15 L 7.62 3.45 0.00 1.60 1.25 1.00 0.17 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 16 L 7.88 4.09 0.00 1.92 1.69 1.11 0.50 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 17 L 7.73 4.10 0.00 1.77 1.66 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.66 4.18 0.00 2.73 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 0.00 0.00 0.00 19 F 8.44 4.54 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 20 E 8.76 4.02 0.00 2.18 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 0.00 2.35 2.37 0.00 21 S 8.17 4.39 0.00 4.12 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 22 T 7.97 3.92 4.57 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 1.33 0.00 0.00 23 L 8.21 4.26 0.00 1.92 1.81 0.90 0.21 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 24 T 8.31 4.62 4.29 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 1.27 0.00 0.00 25 D 8.33 4.40 0.00 2.90 2.81 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 26 A 7.68 4.30 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.71 3.85 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 0.00 0.00 0.00 28 F 8.10 4.78 0.00 3.17 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 29 L 8.88 4.59 0.00 1.80 1.62 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.38 4.81 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 0.86 0.00 0.00 1.00 0.00 0.00 31 T 8.97 4.48 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 1.21 0.00 0.00 32 A 8.48 5.06 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 33 V 9.20 4.62 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 1.01 0.00 0.00 34 S 8.91 5.05 0.00 3.99 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 35 S 7.31 4.09 0.00 3.76 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 36 G 6.76 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 0.00 0.00 0.00 37 A 7.64 3.93 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 38 K 7.81 3.89 0.00 1.78 1.82 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.38 7.81 39 A 7.66 4.10 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 40 I 7.90 3.85 1.96 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 1.41 0.77 0.91 0.00 0.00 41 E 7.92 4.01 0.00 2.11 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 2.29 2.35 0.00 *43 L 7.84 4.26 0.00 1.94 1.74 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.23 3.96 0.00 1.79 1.85 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.48 7.81 45 S 7.64 4.17 0.00 3.94 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 46 G 7.67 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 47 A 7.38 3.91 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 48 A 8.49 4.10 1.27 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 49 I 8.17 4.48 1.87 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 1.61 0.99 0.92 0.00 0.00 50 D 8.76 4.74 0.00 2.71 2.74 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 51 G 7.46 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 52 V 8.37 4.85 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 0.97 0.00 0.00 0.90 0.00 0.00 53 V 8.90 4.61 1.96 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 0.74 0.00 0.00 0.73 0.00 0.00 54 T 8.62 5.16 4.29 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 1.22 0.00 0.00 55 D 8.84 5.35 0.00 1.66 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 0.00 0.00 0.00 56 I 8.05 3.13 1.55 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.29 0.42 0.00 0.00 57 R 7.39 4.59 0.00 1.63 1.75 0.00 3.13 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 58 F 8.09 5.17 0.00 3.19 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 59 C 9.04 4.36 0.00 3.02 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 60 Q 7.68 4.72 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 61 P 0.00 4.52 0.00 2.08 2.05 0.00 3.71 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 2.07 2.13 0.00 62 P 0.00 4.47 0.00 2.26 2.21 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.95 0.00 63 D 8.57 5.06 0.00 3.19 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 64 G 8.64 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 65 W 7.75 4.64 0.00 3.52 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 66 Q 8.96 4.13 0.00 2.29 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 67 V 7.93 3.61 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 0.99 0.00 0.00 1.03 0.00 0.00 68 A 8.29 4.06 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.03 3.92 0.00 2.07 2.04 0.00 3.32 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.04 0.00 70 V 7.91 3.57 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 1.02 0.00 0.00 1.00 0.00 0.00 71 A 8.15 4.00 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 72 R 8.18 4.58 0.00 1.99 2.00 0.00 3.40 0.00 0.00 3.48 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 73 E 8.16 4.04 0.00 2.15 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 0.00 2.36 2.49 0.00 74 I 7.52 4.15 2.01 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 1.41 0.47 0.91 0.00 0.00 75 D 8.42 4.54 0.00 2.67 2.48 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 76 P 0.00 4.48 0.00 2.22 2.18 0.00 3.41 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 77 N 8.08 4.71 0.00 2.87 2.78 0.00 0.00 6.97 7.55 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 *79 P 0.00 4.23 0.00 2.04 1.97 0.00 3.66 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.25 0.00 80 I 8.15 4.81 1.73 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 1.17 0.95 0.24 0.00 0.00 81 V 8.47 4.56 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 0.79 0.00 0.00 0.76 0.00 0.00 82 Y 8.71 4.96 0.00 2.85 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 83 I 8.78 4.92 1.75 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.51 0.98 0.00 0.00 84 S 8.99 4.79 0.00 3.81 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 85 G 8.98 3.46 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 0.00 86 H 7.38 4.53 0.00 3.14 3.17 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.01 4.30 1.40 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 0.00 0.00 88 A 8.41 4.68 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 89 L 7.88 4.14 0.00 1.82 1.72 0.97 1.02 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 90 E 8.33 3.96 0.00 2.33 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 2.45 2.46 0.00 91 W 8.35 3.72 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 92 A 7.90 3.66 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 93 S 7.61 4.37 0.00 3.81 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 94 N 7.00 4.38 0.00 1.44 1.42 0.00 0.00 6.93 7.67 0.00 0.00 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 G 6.93 3.57 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 0.00 0.00 0.00 96 V 8.55 4.07 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 0.92 0.00 0.00 1.08 0.00 0.00 97 P 0.00 4.19 0.00 2.04 1.97 0.00 3.82 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 2.01 2.06 0.00 98 D 8.79 4.54 0.00 2.87 2.81 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 99 S 7.82 4.86 0.00 4.15 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 0.00 100 I 8.37 4.48 1.76 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 1.06 0.83 0.73 0.00 0.00 101 I 7.65 4.73 1.66 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 1.23 0.98 0.08 0.00 0.00 102 L 8.62 4.49 0.00 0.56 0.25 0.12 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.50 5.19 0.00 1.98 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 2.15 2.33 0.00 104 K 8.88 4.29 0.00 1.68 1.78 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.20 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.75 7.81 105 P 0.00 4.54 0.00 2.14 1.99 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 106 F 7.64 5.10 0.00 3.16 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 0.00 107 T 8.94 4.54 4.29 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 1.27 0.00 0.00 108 S 8.58 4.24 0.00 4.14 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 0.00 109 A 8.07 4.05 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 0.00 110 Q 8.17 3.94 0.00 2.49 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 111 L 7.99 3.83 0.00 1.98 1.96 0.71 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.89 3.79 1.95 0.00 0.00 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 1.85 0.84 1.05 0.00 0.00 113 T 8.26 3.85 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 1.21 0.00 0.00 114 A 7.95 3.90 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 0.00 115 V 7.69 3.39 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 0.49 0.00 0.00 0.73 0.00 0.00 116 S 8.32 4.27 0.00 3.97 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 0.00 117 Q 8.31 3.98 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 118 L 7.64 4.06 0.00 1.79 1.69 0.87 0.91 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 0.00 119 L 8.08 4.16 0.00 1.93 1.77 1.12 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 120 N 8.43 4.37 0.00 2.86 2.90 0.00 0.00 7.05 6.93 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 0.00 121 A 7.75 4.23 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 0.00 122 R 7.56 3.90 0.00 1.86 2.03 0.00 3.33 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 123 E 8.20 4.13 0.00 2.10 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 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.