NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 3.7914 8.0427 120.8632 55.8280 42.4237 178.6092 5 T 3.6851 7.6038 113.9923 63.2227 66.9950 172.4064 6 E 4.0332 8.1397 121.2454 59.0902 30.2618 177.9813 7 V 3.8316 7.6849 117.8545 66.2879 31.5486 177.0956 8 E 4.0179 8.6007 119.0468 60.0695 29.3246 178.9915 9 T 4.0472 7.7046 111.8239 65.0876 67.0808 175.8617 10 Y 4.1248 7.8977 117.9066 60.8961 38.2013 177.7427 11 V 3.8371 8.3763 119.6551 66.1947 31.6906 178.1837 12 L 4.0771 8.5586 119.2109 57.4960 41.1915 179.4709 13 S 4.2625 7.8792 113.6668 60.3421 62.9253 175.4426 14 I 4.3671 7.2441 114.9771 59.7229 37.8802 175.0065 15 I 4.2786 7.1940 122.5836 59.3015 37.9330 174.0836 16 P 4.3808 0.0000 0.0000 62.4371 31.8194 176.5368 17 S 4.1723 8.5317 117.2040 59.0372 63.1923 173.6977 18 G 4.3585 8.5970 107.9648 42.6464 0.0000 172.7427 19 P 4.3669 0.0000 0.0000 64.5817 31.0255 178.7730 20 L 4.0956 7.8850 119.7248 57.8000 42.0138 178.2950 21 K 3.9022 7.8740 119.2154 59.6245 32.0170 178.6039 22 A 3.9950 7.9820 120.3378 55.2003 18.4394 179.0997 23 E 3.9165 8.3422 117.1257 59.7516 29.5864 179.8766 24 I 3.9441 8.2305 119.4953 64.3112 37.2551 178.1611 25 A 3.9303 8.2765 121.9584 55.2608 18.2687 179.2381 26 Q 3.8335 8.2361 118.1083 59.6967 29.0809 179.1239 27 R 3.8195 7.9073 118.7870 58.9596 29.9425 178.9884 28 L 4.0540 8.4535 119.3441 57.8221 41.5453 179.4814 29 E 3.6358 7.8842 118.7190 59.2616 29.3795 179.5687 30 S 4.1635 7.9425 114.2286 61.1151 63.1438 176.6723 31 V 3.7524 7.8415 123.2501 65.7041 31.1580 177.8887 32 F 4.2548 8.4469 116.3674 60.8532 38.9678 177.5659 33 A 4.3613 8.2541 117.1164 52.1433 18.2213 177.7380 34 G 3.9224 8.3040 105.5600 46.4133 0.0000 175.4830 35 K 4.0631 8.5968 121.3373 57.8636 32.5237 176.9350 36 N 4.6743 7.8463 118.4120 52.4253 39.3869 174.4606 37 T 4.5505 8.3990 118.8071 61.9486 68.6528 174.7919 38 D 4.6252 7.9179 121.6545 53.1783 38.8957 175.6240 39 L 3.9418 8.0026 125.5329 57.7127 42.3647 177.9332 40 E 3.9944 8.1132 117.6176 59.4978 29.6107 178.7831 41 A 4.0053 8.2699 120.2565 55.1491 18.3088 179.3424 42 L 3.8208 7.8728 118.5842 58.6249 42.2397 179.0797 43 M 4.3313 8.7068 119.1694 58.6251 31.8017 178.6616 44 E 3.9876 8.5208 118.8162 58.9393 29.3755 179.1166 45 W 4.1060 8.1549 127.4819 60.4288 31.1262 177.3080 46 L 3.8970 8.6949 120.5911 58.1948 41.3740 178.7157 47 K 3.0389 8.0756 118.6639 58.8476 31.8623 177.6595 48 T 4.2418 6.8488 107.2899 60.4873 69.3967 174.7556 49 R 3.7610 6.9748 121.4467 55.4399 30.6150 175.0988 50 P 4.4519 0.0000 0.0000 62.7309 33.2726 175.3422 51 I 3.6339 8.5098 122.5443 62.1429 35.2083 174.7090 52 L 4.0536 7.6391 118.5338 54.5119 42.0808 178.0445 53 S 4.3286 8.5242 118.5497 57.6592 65.0395 173.4022 54 P 4.2664 0.0000 0.0000 65.8802 31.1187 178.6126 55 L 3.9222 7.9033 118.4368 58.6237 41.9822 179.1131 56 T 3.9271 7.7016 115.3692 66.4245 68.3750 176.8829 57 K 4.1558 8.3297 120.6891 59.5424 32.1050 179.6228 58 G 3.5484 8.3089 105.9834 47.6938 0.0000 175.9265 59 I 3.7012 7.8622 122.1351 64.1195 37.1072 178.5444 60 L 3.9063 8.1904 120.0696 57.6503 41.3718 179.6523 61 G 3.8287 8.7081 106.0689 47.7951 0.0000 175.4146 62 F 4.0036 8.2403 122.8892 61.0219 39.4341 177.1118 63 V 3.4704 8.0488 118.0530 66.2178 31.0161 178.0001 64 F 4.7054 8.0727 117.5340 60.6493 38.9032 177.4902 65 T 4.0666 8.1371 114.2310 66.4028 68.2138 176.2017 66 L 3.9017 7.4298 121.8717 58.2279 42.3616 178.7879 67 T 4.1324 8.3943 109.4540 63.1256 69.2080 174.3267 *77 R 4.2053 7.4276 120.6485 55.7693 31.5555 176.2126 78 R 3.9813 8.7833 122.5955 59.5037 30.0699 178.7120 79 F 4.2946 8.4409 113.9445 59.5286 37.7727 177.6401 80 V 3.1332 6.7118 118.5041 65.6895 31.4239 177.6417 81 Q 4.0120 7.9514 117.7170 59.3246 28.3900 178.9614 82 N 4.3593 8.3180 116.1256 56.0169 38.6194 177.1516 83 A 4.1253 7.5246 121.3201 55.2794 18.6173 179.4273 84 L 3.9311 7.7822 116.3279 56.9022 42.0613 178.1229 85 N 4.3397 7.3833 115.5425 53.0610 38.8386 174.0820 *89 D 4.5795 8.0285 120.6756 53.9046 43.6617 175.6542 90 P 4.3481 0.0000 0.0000 65.5188 31.5440 178.4734 91 N 4.3235 8.1470 114.9253 56.5609 38.4375 176.9869 92 N 4.3792 8.1068 117.2294 56.5394 38.6540 177.3062 93 M 4.0153 8.4567 120.6435 58.1724 32.0927 178.2746 94 D 4.2694 8.6884 118.4820 57.5243 41.4420 178.4452 95 R 4.0277 8.1753 118.3289 59.2296 29.9944 178.6994 96 A 3.8372 8.2184 120.7394 55.3132 18.3056 179.8250 97 V 3.5463 7.7285 116.4932 66.1671 31.4451 178.4179 98 K 4.0331 7.9827 118.1284 59.3432 31.8458 179.1481 99 L 3.7093 8.1151 121.1512 58.0177 41.8838 178.3697 100 Y 4.0402 8.2330 119.9461 60.4353 38.4767 177.8475 101 K 3.7469 8.0407 118.6633 59.6416 32.4349 179.0362 102 K 4.1045 7.5238 116.8818 59.5315 31.9840 179.5853 103 L 3.9292 7.9998 119.1811 57.4967 41.2437 179.6180 104 K 3.8545 7.7110 117.6111 58.3835 31.8894 178.3737 105 R 4.4935 7.6638 116.3717 54.7031 30.6132 175.2818 106 E 4.5588 7.6590 119.7461 54.8220 30.7960 175.6659 107 I 4.2550 8.4021 123.0122 60.9482 39.8564 175.0830 108 T 4.7170 7.4302 109.5612 59.5997 71.4136 175.1642 109 F 4.3222 8.8388 124.0090 62.0778 39.5094 177.2029 110 H 4.1176 8.3867 115.5298 58.5001 28.6988 177.6850 111 G 3.6999 8.0750 107.2318 47.8924 0.0000 175.5104 112 A 3.9384 7.7013 123.0566 54.5642 18.4822 179.5950 113 K 3.7879 8.0101 118.5219 59.7113 31.9787 178.8907 114 E 3.9395 8.2520 118.0417 59.2628 29.7150 179.2341 115 V 3.7777 7.6882 118.0008 66.2235 31.5632 178.3387 116 S 4.2528 8.1683 114.8784 61.5156 62.4371 176.4744 117 L 4.0753 7.7323 120.5659 56.7893 41.3951 178.5639 118 S 4.3973 7.8637 112.5707 58.2586 63.5958 173.2524 119 Y 4.6431 7.3883 120.4609 56.1155 40.4975 176.0837 120 S 4.4991 8.3321 116.4234 58.1230 65.5124 175.1373 121 T 3.9330 8.6079 120.0585 67.1421 68.2224 176.8375 122 G 3.5834 8.1113 106.5532 47.7834 0.0000 175.4488 123 A 4.1875 7.6153 121.8798 54.8280 18.3358 179.7574 124 L 3.7869 8.2314 117.5869 57.7097 41.6360 179.5783 125 A 3.8131 8.1468 120.8792 55.3896 18.3322 179.8740 126 S 3.9804 7.8918 113.5717 61.8328 62.8176 176.6092 127 C 4.0135 8.1550 121.6582 62.6051 31.1872 175.4826 128 M 3.6896 8.1187 120.6994 57.9247 31.0844 178.9035 129 G 3.5841 7.9656 105.9583 47.7987 0.0000 175.5400 130 L 3.9141 7.6604 120.5367 57.6882 41.8901 179.5882 131 I 3.9934 7.7803 119.5513 64.4246 36.8585 177.8469 132 Y 4.3951 8.4624 119.8116 60.1372 38.7018 176.8888 133 N 4.6405 7.7522 114.8825 53.2374 40.3551 175.0879 134 R 4.6890 8.1905 120.1041 55.0087 31.1408 175.3579 135 M 4.2106 7.7387 117.3245 56.8838 32.8109 177.6108 136 G 4.0850 9.0754 111.5067 45.5111 0.0000 174.2552 137 T 4.2621 7.5400 108.5949 62.7871 69.5536 175.3227 138 V 4.5007 7.4255 113.9870 58.6425 35.5037 175.7968 139 T 4.1934 8.1511 112.7538 61.8629 70.7772 175.7259 140 T 3.9136 8.4149 118.2344 66.7806 68.3893 176.8368 141 E 4.2349 8.3165 119.9623 59.3604 29.5818 179.0010 142 A 3.9983 7.9753 120.4346 55.1668 18.4967 179.5361 143 A 4.0650 8.2428 119.2787 55.3940 18.3745 179.8272 144 F 4.3626 8.8271 116.9024 60.7329 39.0286 177.9977 145 G 3.1665 8.6701 105.6207 47.6304 0.0000 175.4489 146 L 3.8864 7.9682 122.7647 57.7099 42.0698 179.0637 147 V 3.5588 7.9017 118.2318 66.2427 31.4817 177.4608 148 C 4.0406 8.4743 118.2794 62.4700 31.3091 175.4626 149 A 3.8099 7.8625 122.2297 55.2954 17.9347 179.6191 150 T 3.7587 7.9713 114.3484 67.1129 68.5405 176.5990 151 C 4.1682 8.2157 118.5523 62.7356 28.1550 175.8043 152 E 4.0859 8.2048 120.8740 59.5014 29.0034 178.9273 153 Q 4.0272 8.0836 117.0486 58.9081 28.8175 178.5078 154 I 3.8437 7.7491 119.6745 64.4687 37.5630 178.0378 155 A 4.2353 8.4908 121.9109 55.0517 17.8687 178.4270 156 D 4.6473 7.8342 115.6405 54.2637 41.2886 176.7622 157 S 4.1897 7.9399 120.5224 58.9646 63.0331 174.0724 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 4 L 8.04 3.79 0.00 1.20 0.44 0.40 -0.70 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 5 T 7.60 3.69 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 1.14 0.00 0.00 6 E 8.14 4.03 0.00 1.97 1.58 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 2.62 2.66 0.00 7 V 7.68 3.83 2.32 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 1.34 0.00 0.00 1.27 0.00 0.00 8 E 8.60 4.02 0.00 2.38 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 2.34 2.36 0.00 9 T 7.70 4.05 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 1.25 0.00 0.00 10 Y 7.90 4.12 0.00 3.32 3.03 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 0.00 0.00 0.00 11 V 8.38 3.84 2.30 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 1.05 0.00 0.00 1.10 0.00 0.00 12 L 8.56 4.08 0.00 1.70 1.72 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.88 4.26 0.00 4.00 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 14 I 7.24 4.37 1.90 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 1.83 0.69 0.97 0.00 0.00 15 I 7.19 4.28 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.80 0.95 0.00 0.00 16 P 0.00 4.38 0.00 2.04 2.00 0.00 3.71 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 2.13 0.00 17 S 8.53 4.17 0.00 3.86 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 18 G 8.60 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 0.00 0.00 0.00 0.00 19 P 0.00 4.37 0.00 2.21 2.14 0.00 3.62 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 2.13 2.16 0.00 20 L 7.89 4.10 0.00 1.75 1.71 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.87 3.90 0.00 1.94 1.94 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.55 7.81 22 A 7.98 3.99 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 23 E 8.34 3.92 0.00 2.52 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 0.00 2.44 2.76 0.00 24 I 8.23 3.94 2.14 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 1.91 1.05 1.03 0.00 0.00 25 A 8.28 3.93 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 26 Q 8.24 3.83 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 27 R 7.91 3.82 0.00 1.85 1.68 0.00 2.21 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.36 0.00 28 L 8.45 4.05 0.00 1.48 0.89 0.86 0.64 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 29 E 7.88 3.64 0.00 2.06 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 2.22 2.28 0.00 30 S 7.94 4.16 0.00 4.04 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 31 V 7.84 3.75 2.40 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 1.21 0.00 0.00 0.91 0.00 0.00 32 F 8.45 4.25 0.00 3.12 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 33 A 8.25 4.36 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 34 G 8.30 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 35 K 8.60 4.06 0.00 1.90 1.85 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.37 7.81 36 N 7.85 4.67 0.00 2.64 2.62 0.00 0.00 6.63 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 4.55 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 1.20 0.00 0.00 38 D 7.92 4.63 0.00 2.75 2.49 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 39 L 8.00 3.94 0.00 1.81 1.68 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.11 3.99 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 41 A 8.27 4.01 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 42 L 7.87 3.82 0.00 1.71 1.75 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 43 M 8.71 4.33 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.97 0.00 44 E 8.52 3.99 0.00 2.03 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 2.75 2.49 0.00 45 W 8.15 4.11 0.00 3.32 3.42 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 46 L 8.69 3.90 0.00 2.18 2.09 1.13 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.08 3.04 0.00 0.79 1.58 0.00 1.40 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.09 0.77 7.81 48 T 6.85 4.24 4.10 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 1.14 0.00 0.00 49 R 6.97 3.76 0.00 1.64 1.60 0.00 2.21 0.00 0.00 2.63 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.76 0.00 50 P 0.00 4.45 0.00 2.12 2.02 0.00 3.68 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 51 I 8.51 3.63 1.84 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 0.38 0.91 0.00 0.00 52 L 7.64 4.05 0.00 1.61 1.62 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.52 4.33 0.00 4.04 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 54 P 0.00 4.27 0.00 2.18 2.18 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 55 L 7.90 3.92 0.00 1.69 1.65 0.90 0.79 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 56 T 7.70 3.93 4.37 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 1.23 0.00 0.00 57 K 8.33 4.16 0.00 2.10 2.11 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.49 7.81 58 G 8.31 3.55 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 59 I 7.86 3.70 2.00 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 1.43 0.69 0.92 0.00 0.00 60 L 8.19 3.91 0.00 1.97 1.69 1.00 0.56 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 61 G 8.71 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 0.00 0.00 0.00 62 F 8.24 4.00 0.00 2.97 3.17 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 63 V 8.05 3.47 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 1.12 0.00 0.00 1.03 0.00 0.00 64 F 8.07 4.71 0.00 3.29 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 T 8.14 4.07 4.40 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 1.23 0.00 0.00 66 L 7.43 3.90 0.00 1.47 1.56 0.51 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.39 4.13 4.64 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 1.66 0.00 0.00 *77 R 7.43 4.21 0.00 1.79 1.93 0.00 3.50 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.84 0.00 78 R 8.78 3.98 0.00 2.00 2.04 0.00 3.43 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 79 F 8.44 4.29 0.00 3.28 3.26 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 80 V 6.71 3.13 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 0.21 0.00 0.00 -0.04 0.00 0.00 81 Q 7.95 4.01 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.62 2.75 0.00 82 N 8.32 4.36 0.00 2.76 2.89 0.00 0.00 7.07 7.15 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 83 A 7.52 4.13 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 84 L 7.78 3.93 0.00 1.50 1.78 0.59 1.14 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 85 N 7.38 4.34 0.00 2.84 2.72 0.00 0.00 6.94 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 *89 D 8.03 4.58 0.00 2.69 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 90 P 0.00 4.35 0.00 2.19 2.08 0.00 3.65 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 2.11 2.17 0.00 91 N 8.15 4.32 0.00 2.73 2.88 0.00 0.00 7.16 6.92 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 92 N 8.11 4.38 0.00 2.89 2.96 0.00 0.00 7.12 7.66 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 93 M 8.46 4.02 0.00 1.99 2.27 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.51 0.00 94 D 8.69 4.27 0.00 2.66 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 95 R 8.18 4.03 0.00 2.06 2.20 0.00 3.25 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 96 A 8.22 3.84 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 97 V 7.73 3.55 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 1.08 0.00 0.00 0.96 0.00 0.00 98 K 7.98 4.03 0.00 2.19 1.98 0.00 1.82 0.00 0.00 1.64 0.00 0.00 3.28 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.71 7.81 99 L 8.12 3.71 0.00 0.27 1.37 0.69 0.34 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 0.00 100 Y 8.23 4.04 0.00 3.04 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 0.00 101 K 8.04 3.75 0.00 2.01 1.87 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.57 7.81 102 K 7.52 4.10 0.00 2.01 1.85 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.62 7.81 103 L 8.00 3.93 0.00 1.59 1.66 0.89 0.79 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 0.00 104 K 7.71 3.85 0.00 1.66 1.69 0.00 1.06 0.00 0.00 1.40 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.04 0.71 7.81 105 R 7.66 4.49 0.00 1.87 1.90 0.00 3.12 0.00 0.00 3.20 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 106 E 7.66 4.56 0.00 2.05 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 2.45 2.34 0.00 107 I 8.40 4.26 1.88 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 1.48 1.12 0.93 0.00 0.00 108 T 7.43 4.72 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 1.25 0.00 0.00 109 F 8.84 4.32 0.00 3.12 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 0.00 110 H 8.39 4.12 0.00 3.27 3.34 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.08 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 0.00 112 A 7.70 3.94 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 0.00 113 K 8.01 3.79 0.00 1.11 1.58 0.00 1.23 0.00 0.00 1.47 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.24 1.18 7.81 114 E 8.25 3.94 0.00 1.94 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 2.33 2.46 0.00 115 V 7.69 3.78 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 1.14 0.00 0.00 1.02 0.00 0.00 116 S 8.17 4.25 0.00 4.00 3.86 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 0.00 117 L 7.73 4.08 0.00 1.77 1.72 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 118 S 7.86 4.40 0.00 3.89 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 0.00 119 Y 7.39 4.64 0.00 3.03 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 0.00 120 S 8.33 4.50 0.00 4.06 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 0.00 121 T 8.61 3.93 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 1.19 0.00 0.00 122 G 8.11 3.58 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 0.00 123 A 7.62 4.19 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 0.00 124 L 8.23 3.79 0.00 1.80 1.64 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.15 3.81 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 0.00 126 S 7.89 3.98 0.00 4.02 3.86 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 0.00 127 C 8.16 4.01 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 0.00 128 M 8.12 3.69 0.00 0.99 1.79 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 1.82 0.00 129 G 7.97 3.58 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 0.00 130 L 7.66 3.91 0.00 1.60 1.33 0.64 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.78 3.99 2.10 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.91 1.16 0.00 0.00 132 Y 8.46 4.40 0.00 3.30 3.25 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 0.00 133 N 7.75 4.64 0.00 2.80 2.80 0.00 0.00 6.75 7.40 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 0.00 134 R 8.19 4.69 0.00 1.79 1.85 0.00 2.90 0.00 0.00 3.12 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 135 M 7.74 4.21 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 136 G 9.08 4.09 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 0.00 137 T 7.54 4.26 4.45 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 1.35 0.00 0.00 138 V 7.43 4.50 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 0.76 0.00 0.00 1.01 0.00 0.00 139 T 8.15 4.19 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 1.22 0.00 0.00 140 T 8.41 3.91 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 1.41 0.00 0.00 141 E 8.32 4.23 0.00 2.15 2.16 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 2.46 2.50 0.00 142 A 7.98 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 0.00 143 A 8.24 4.07 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 0.00 144 F 8.83 4.36 0.00 3.41 3.34 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 0.00 145 G 8.67 3.17 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 0.00 146 L 7.97 3.89 0.00 1.75 1.85 0.81 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 147 V 7.90 3.56 2.42 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 1.16 0.00 0.00 1.15 0.00 0.00 148 C 8.47 4.04 0.00 3.37 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 0.00 149 A 7.86 3.81 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 0.00 150 T 7.97 3.76 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 1.15 0.00 0.00 151 C 8.22 4.17 0.00 3.18 3.29 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 0.00 152 E 8.20 4.09 0.00 1.73 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 2.34 2.53 0.00 153 Q 8.08 4.03 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 154 I 7.75 3.84 2.04 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 1.46 0.64 0.93 0.00 0.00 155 A 8.49 4.24 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 0.00 156 D 7.83 4.65 0.00 2.81 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 0.00 157 S 7.94 4.19 0.00 3.97 3.78 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 * Residues marked with a * may have inaccurate shift predictions.