NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.3443 8.4145 122.1404 54.7856 33.0163 177.2988 5 R 4.3933 8.9264 112.7963 58.4135 31.9570 173.5403 6 N 5.1385 8.4100 114.6908 52.5850 40.0913 177.3745 7 V 4.3878 7.8786 117.5884 62.1465 33.7959 181.2156 8 E 4.0414 8.4205 116.8778 60.2520 29.8926 184.4882 9 L 4.6960 7.7761 120.1786 54.8423 41.6329 179.9885 10 L 4.6604 7.9140 118.5149 56.1793 44.5987 179.8510 11 A 4.7585 8.2039 123.8301 52.3967 19.2931 178.8429 12 T 4.5259 7.7311 109.5324 64.0010 72.4341 176.6603 13 L 4.9975 7.6078 122.8365 54.2588 41.8116 181.3338 14 K 4.8156 7.7263 122.0186 57.1118 38.7626 178.6199 15 E 4.7491 8.3248 111.4528 56.2767 32.1761 180.7002 16 N 4.7863 8.4096 116.8782 55.1602 39.2451 181.6616 17 L 4.4415 7.9583 118.3357 55.3247 41.5323 179.0886 18 E 4.7622 7.9170 115.1085 56.8318 30.6773 183.4198 19 R 4.8205 7.4214 113.0432 56.3931 32.7986 175.7746 20 A 4.5350 8.3563 125.0514 52.7463 22.1960 178.2176 21 Q 4.0263 10.1278 117.8485 53.8893 27.6635 180.3242 22 G 4.7469 5.3800 121.8586 46.6038 0.0000 173.8473 23 S 5.3738 7.8372 117.5693 61.0007 66.1854 176.7833 *24 F 4.2929 8.3598 123.8049 59.5986 38.9695 178.3428 *25 F 4.7657 8.7421 121.0984 56.0846 42.5276 175.6979 26 L 5.0945 8.0994 122.2857 54.3447 39.6958 177.3589 27 V 4.1960 7.8078 127.1057 61.3984 34.6060 177.0615 28 N 5.0305 8.5766 119.0518 52.5690 39.4555 173.7536 *29 Y 4.2514 8.4070 131.7700 57.2443 35.6144 174.8294 30 Q 3.3774 6.7266 116.2647 57.4074 29.3793 180.5716 31 G 4.0083 7.0395 108.7403 45.8552 0.0000 173.1275 32 L 5.4640 8.9564 128.4675 54.7217 44.3808 172.3450 33 P 4.5535 0.0000 0.0000 62.8082 28.0481 179.8111 34 A 4.7950 8.3133 115.5909 53.5456 18.8985 176.5460 35 K 4.4625 7.9491 123.9658 54.9914 35.6408 179.2782 36 E 4.6718 8.0415 117.6249 56.7770 29.5055 180.4753 37 T 5.0810 7.6870 109.4550 61.9492 70.5174 177.2999 *38 H 4.8620 8.4717 118.5823 55.2619 30.8835 176.5859 39 A 4.8631 8.1062 120.9729 52.3094 19.7885 176.5337 40 L 4.6490 8.1479 119.8270 57.2296 46.7781 180.8449 41 R 4.6316 7.3722 118.9255 56.3736 29.7340 180.4151 42 Q 4.6726 7.3726 114.4171 53.8476 29.3033 177.9851 43 A 4.4442 7.6327 123.0839 53.7432 22.8136 178.5594 44 L 4.2853 8.2368 117.7461 55.0626 40.7420 183.2363 45 K 4.7348 7.9375 122.3696 56.0683 32.4660 180.3617 46 Q 4.7079 7.8675 117.0409 55.9119 28.7281 178.2484 47 N 4.6254 7.2910 111.8599 51.8930 39.7811 177.3397 48 G 4.2650 7.8967 108.9004 45.8280 0.0000 173.7015 49 A 3.9519 9.3341 130.8509 53.4907 19.0451 177.9983 50 R 3.4643 7.1056 121.4080 54.4665 28.9653 174.5708 51 L 5.7244 7.7027 135.0000 54.4784 42.6636 170.7119 *52 F 4.8228 7.8771 118.2606 56.3923 41.5646 180.0062 53 V 4.6055 8.2267 120.0807 58.4426 35.4243 173.2915 54 A 4.5820 8.4338 120.2507 54.9191 20.7979 178.8652 55 K 4.3334 7.9117 120.5963 54.7990 29.6803 183.5120 56 N 4.6110 7.8815 122.3092 53.0850 35.9358 177.9873 57 T 3.9023 8.4013 117.6981 61.4070 68.7362 175.5860 58 L 4.4954 8.0143 123.5617 54.4902 40.4070 179.0867 59 I 4.1544 8.2111 113.8259 63.5961 35.2897 171.2508 60 R 4.3419 8.9047 121.3396 59.8974 27.3593 173.7620 61 L 4.5975 7.2199 116.5030 53.1842 41.2035 179.0166 62 A 4.6519 8.0108 135.0000 54.6747 21.0626 179.9377 63 L 3.9232 8.4291 117.7757 57.9609 40.7456 182.9253 64 K 4.7281 7.9223 121.1371 54.7940 32.3232 179.2471 65 E 4.8190 8.3059 116.3572 56.7234 32.1402 179.3302 66 L 4.8951 7.7883 116.9594 54.6100 42.3025 182.5143 67 G 4.2274 7.9657 107.0882 46.7118 0.0000 174.1981 68 L 4.6636 7.7065 117.2438 53.2076 43.0788 177.6413 69 P 4.8678 0.0000 0.0000 64.5063 33.6606 176.6234 70 E 4.5389 9.0490 115.0491 57.4932 28.2997 180.1183 71 L 4.8300 7.4798 118.8960 54.8001 41.6932 180.4807 72 D 4.7137 7.6660 120.1009 52.8605 41.7606 176.8518 73 G 4.2277 8.9638 105.1625 48.2430 0.0000 176.7410 74 L 4.4614 7.6761 122.8322 54.6281 39.9699 182.5324 75 Q 4.3838 9.3838 118.3440 56.9233 28.0144 179.2233 76 G 4.2162 7.8892 108.1963 46.3853 0.0000 172.9293 77 P 4.8263 0.0000 0.0000 61.9573 32.7587 179.5271 78 S 4.3512 7.7066 112.6226 60.6223 62.9379 180.1113 79 A 3.9922 7.7958 126.4505 53.6105 18.7549 177.8244 80 V 3.4212 8.3777 121.0113 60.2639 31.4052 174.5847 81 V 4.0211 8.2155 117.8212 62.4908 29.7156 178.1187 *82 F 4.4495 7.8465 126.6910 57.6638 37.6245 178.9096 *83 Y 4.4624 7.7649 134.2738 55.4648 36.3288 179.8981 84 E 5.1628 8.1080 116.4479 58.0637 33.0390 174.6349 85 D 4.9390 9.2786 131.9706 58.1815 40.0824 173.2351 86 P 3.9204 0.0000 0.0000 58.5853 30.6865 179.2483 87 V 4.1794 7.8034 120.1302 61.3446 33.5600 172.2781 88 A 4.0148 8.4671 125.6038 53.6869 18.4934 180.4697 89 A 4.4804 8.9896 119.7499 49.2679 17.0380 177.2532 90 A 4.2004 6.6291 124.0035 52.4332 23.4800 176.5627 91 K 4.7753 8.6050 119.2003 54.2255 35.2038 172.2494 92 T 4.7529 8.1144 111.6647 61.2696 69.1129 176.3488 93 L 4.3412 7.3883 126.4010 57.1720 42.1736 181.5501 94 V 3.8479 7.7925 122.9193 63.6931 32.3723 179.3197 95 Q 4.6690 7.9958 117.9767 56.6520 28.8266 182.3166 *96 F 4.6499 7.9231 118.5348 58.8249 40.6223 180.5639 97 A 5.1812 8.0797 122.7986 52.6651 17.2901 178.3305 98 K 4.4933 8.5636 121.0781 56.5888 33.7770 180.8528 99 S 4.6006 7.9113 119.0672 57.2811 60.8535 178.8231 100 N 4.7936 7.0950 115.9153 52.4133 42.2940 175.8924 101 P 4.6535 0.0000 0.0000 63.6988 31.9948 181.3158 102 K 4.6151 9.3156 117.4162 54.5578 31.3225 179.5735 103 G 4.1082 7.6004 109.6054 47.1263 0.0000 175.0561 104 I 4.3621 9.8989 119.2302 58.9919 37.3666 179.0665 105 P 5.6159 0.0000 0.0000 63.7565 30.7703 177.1385 106 Q 4.6898 7.0761 123.5353 55.7286 35.2889 178.0915 107 V 4.3569 7.2452 117.7645 61.0911 34.2912 178.8367 108 K 4.3826 8.4080 121.0305 55.0924 34.3396 181.0114 109 S 3.7683 8.5139 112.4004 59.8066 59.7571 177.3512 110 G 3.9576 7.9168 112.8220 45.8251 0.0000 173.8360 111 L 4.4944 7.9741 126.8605 56.6821 43.4672 176.9284 112 L 3.7289 7.1165 119.3198 53.3320 41.7210 178.3466 113 Q 5.5758 7.9378 119.9643 51.6702 32.1082 173.4265 114 G 3.9926 8.7357 104.0971 48.0403 0.0000 173.7229 115 Q 4.7649 8.0424 120.5038 54.4530 31.2028 179.1275 116 I 4.3633 8.1479 123.4544 59.5336 38.7341 174.3523 117 L 4.6839 8.6059 133.9517 54.2697 39.6130 176.6323 118 T 4.0726 8.4653 125.7553 60.0138 67.9315 176.1103 119 A 4.7236 8.2602 128.3633 53.7198 17.9451 179.6188 120 K 5.0396 7.2377 123.9584 55.2036 36.0394 179.2036 121 D 4.7262 7.3573 120.9955 54.2716 44.3383 178.0110 122 V 4.5579 8.1091 119.3458 62.0523 30.5641 175.4029 123 E 5.9800 8.4123 122.6611 57.4695 31.6732 176.4904 124 A 4.5285 7.9522 133.0975 52.9838 20.0217 178.2010 125 L 3.2870 8.4872 108.6808 56.6083 41.5681 174.1368 126 A 4.5360 9.4922 122.2295 53.8967 19.0926 181.1076 127 E 4.1410 8.0696 119.6357 59.3140 30.0724 181.4202 128 L 4.6133 7.9771 116.9526 54.7560 42.6459 180.5833 129 P 4.7207 0.0000 0.0000 65.1978 32.3297 183.1794 130 T 4.2166 8.2610 110.2464 62.6581 68.0928 177.5958 131 M 4.8797 7.9895 119.3498 55.7685 33.1406 181.1131 132 D 4.7968 8.3934 117.4247 54.2468 43.2603 180.3069 133 E 4.3056 8.1648 118.9149 56.9954 29.8676 181.5151 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 K 8.41 4.34 0.00 1.79 1.32 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 5 R 8.93 4.39 0.00 1.85 1.80 0.00 3.17 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.26 0.00 6 N 8.41 5.14 0.00 2.68 2.64 0.00 0.00 6.34 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 7 V 7.88 4.39 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 0.72 0.00 0.00 0.93 0.00 0.00 8 E 8.42 4.04 0.00 1.98 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 2.22 1.87 0.00 9 L 7.78 4.70 0.00 1.65 1.56 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.91 4.66 0.00 1.59 1.51 0.92 0.78 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 11 A 8.20 4.76 1.31 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 0.00 0.00 12 T 7.73 4.53 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 1.21 0.00 0.00 13 L 7.61 5.00 0.00 1.59 1.46 0.92 0.68 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 14 K 7.73 4.82 0.00 1.72 1.67 0.00 1.61 0.00 0.00 1.43 0.00 0.00 2.80 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.24 0.92 7.81 15 E 8.32 4.75 0.00 1.91 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.84 0.00 16 N 8.41 4.79 0.00 2.72 2.73 0.00 0.00 6.61 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.96 4.44 0.00 1.65 1.59 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.92 4.76 0.00 1.96 1.83 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 2.14 1.84 0.00 19 R 7.42 4.82 0.00 1.77 1.70 0.00 3.17 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.15 0.00 20 A 8.36 4.54 1.18 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 21 Q 10.13 4.03 0.00 2.08 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.61 0.00 0.00 0.00 0.00 0.00 2.23 1.91 0.00 22 G 5.38 4.75 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 0.00 0.00 0.00 23 S 7.84 5.37 0.00 3.32 3.66 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 *24 F 8.36 4.29 0.00 1.96 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 0.00 0.00 0.00 0.00 *25 F 8.74 4.77 0.00 1.91 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 0.00 0.00 0.00 0.00 26 L 8.10 5.09 0.00 1.27 1.54 0.92 0.86 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 27 V 7.81 4.20 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 0.65 0.00 0.00 0.93 0.00 0.00 28 N 8.58 5.03 0.00 2.45 2.63 0.00 0.00 6.51 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 *29 Y 8.41 4.25 0.00 2.33 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 0.00 0.00 0.00 0.00 30 Q 6.73 3.38 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.29 1.99 0.00 31 G 7.04 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 32 L 8.96 5.46 0.00 1.71 1.54 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.55 0.00 2.22 1.74 0.00 3.69 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 1.79 1.55 0.00 34 A 8.31 4.79 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 35 K 7.95 4.46 0.00 1.73 1.66 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.24 0.96 7.81 36 E 8.04 4.67 0.00 1.88 1.91 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 2.25 1.86 0.00 37 T 7.69 5.08 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 1.21 0.00 0.00 *38 H 8.47 4.86 0.00 2.86 2.92 0.00 7.11 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 39 A 8.11 4.86 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 40 L 8.15 4.65 0.00 1.62 1.50 0.92 0.80 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 41 R 7.37 4.63 0.00 1.87 1.81 0.00 3.27 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.42 0.00 42 Q 7.37 4.67 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.18 1.90 0.00 43 A 7.63 4.44 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 44 L 8.24 4.29 0.00 1.68 1.55 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.94 4.73 0.00 1.74 1.65 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.21 7.81 46 Q 7.87 4.71 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.55 0.00 0.00 0.00 0.00 0.00 2.20 1.90 0.00 47 N 7.29 4.63 0.00 2.67 2.63 0.00 0.00 6.71 7.51 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 48 G 7.90 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 0.00 0.00 0.00 0.00 49 A 9.33 3.95 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 50 R 7.11 3.46 0.00 1.88 1.80 0.00 3.40 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.25 0.00 51 L 7.70 5.72 0.00 1.72 1.61 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 *52 F 7.88 4.82 0.00 2.23 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 0.00 0.00 0.00 53 V 8.23 4.61 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 0.93 0.00 0.00 0.93 0.00 0.00 54 A 8.43 4.58 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 55 K 7.91 4.33 0.00 1.79 1.66 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.00 7.81 56 N 7.88 4.61 0.00 2.64 2.78 0.00 0.00 6.84 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 57 T 8.40 3.90 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 1.21 0.00 0.00 58 L 8.01 4.50 0.00 1.74 1.70 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.21 4.15 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 1.27 1.10 0.91 0.00 0.00 60 R 8.90 4.34 0.00 2.00 1.98 0.00 3.22 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 61 L 7.22 4.60 0.00 1.59 1.65 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.01 4.65 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 63 L 8.43 3.92 0.00 1.67 1.63 0.92 0.66 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 64 K 7.92 4.73 0.00 1.75 1.69 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 0.97 7.81 65 E 8.31 4.82 0.00 1.95 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 66 L 7.79 4.90 0.00 1.59 1.48 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.97 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 0.00 0.00 0.00 0.00 68 L 7.71 4.66 0.00 1.62 1.46 0.92 0.80 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 69 P 0.00 4.87 0.00 2.03 1.87 0.00 3.68 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 1.82 1.54 0.00 70 E 9.05 4.54 0.00 2.04 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 2.05 1.74 0.00 71 L 7.48 4.83 0.00 1.59 1.44 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 72 D 7.67 4.71 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.96 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 0.00 0.00 0.00 0.00 74 L 7.68 4.46 0.00 1.59 1.65 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 9.38 4.38 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.30 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 76 G 7.89 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 0.00 0.00 0.00 0.00 77 P 0.00 4.83 0.00 2.05 1.90 0.00 3.74 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 1.82 1.53 0.00 78 S 7.71 4.35 0.00 3.62 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 79 A 7.80 3.99 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 80 V 8.38 3.42 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 0.70 0.00 0.00 0.93 0.00 0.00 81 V 8.22 4.02 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 0.86 0.00 0.00 0.93 0.00 0.00 *82 F 7.85 4.45 0.00 2.20 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 *83 Y 7.76 4.46 0.00 2.32 1.77 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 84 E 8.11 5.16 0.00 1.92 1.76 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 2.00 1.93 0.00 85 D 9.28 4.94 0.00 2.43 2.56 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 86 P 0.00 3.92 0.00 1.88 1.90 0.00 3.75 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 1.92 1.65 0.00 87 V 7.80 4.18 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 0.59 0.00 0.00 0.93 0.00 0.00 88 A 8.47 4.01 1.20 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 0.00 0.00 0.00 89 A 8.99 4.48 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 90 A 6.63 4.20 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 91 K 8.61 4.78 0.00 1.75 1.55 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.24 0.95 7.81 92 T 8.11 4.75 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 1.21 0.00 0.00 93 L 7.39 4.34 0.00 1.56 1.53 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.79 3.85 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 0.86 0.00 0.00 0.93 0.00 0.00 95 Q 8.00 4.67 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.80 0.00 0.00 0.00 0.00 0.00 2.22 1.91 0.00 *96 F 7.92 4.65 0.00 2.19 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 97 A 8.08 5.18 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 98 K 8.56 4.49 0.00 1.69 1.65 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.27 1.20 7.81 99 S 7.91 4.60 0.00 3.62 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 0.00 100 N 7.10 4.79 0.00 2.68 2.64 0.00 0.00 6.65 7.75 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 0.00 101 P 0.00 4.65 0.00 1.94 1.66 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.53 0.00 102 K 9.32 4.62 0.00 1.77 1.71 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.01 7.81 103 G 7.60 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 0.00 104 I 9.90 4.36 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 1.16 0.87 0.91 0.00 0.00 105 P 0.00 5.62 0.00 2.19 2.01 0.00 3.70 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 1.71 1.30 0.00 106 Q 7.08 4.69 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.18 1.92 0.00 107 V 7.25 4.36 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 0.90 0.00 0.00 0.93 0.00 0.00 108 K 8.41 4.38 0.00 1.61 1.72 0.00 1.90 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.21 0.85 7.81 109 S 8.51 3.77 0.00 3.71 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 0.00 110 G 7.92 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 0.00 111 L 7.97 4.49 0.00 1.64 1.54 0.92 0.91 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 0.00 112 L 7.12 3.73 0.00 1.67 1.46 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 7.94 5.58 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.16 1.84 0.00 114 G 8.74 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 0.00 115 Q 8.04 4.76 0.00 1.82 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.94 0.00 0.00 0.00 0.00 0.00 2.17 1.89 0.00 116 I 8.15 4.36 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 1.20 0.56 0.91 0.00 0.00 117 L 8.61 4.68 0.00 1.34 1.62 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.47 4.07 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 1.21 0.00 0.00 119 A 8.26 4.72 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 0.00 120 K 7.24 5.04 0.00 1.79 1.67 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.14 1.02 7.81 121 D 7.36 4.73 0.00 2.55 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.11 4.56 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 1.01 0.00 0.00 0.93 0.00 0.00 123 E 8.41 5.98 0.00 2.05 1.84 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 1.99 1.61 0.00 124 A 7.95 4.53 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 0.00 125 L 8.49 3.29 0.00 1.69 1.11 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 126 A 9.49 4.54 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 0.00 127 E 8.07 4.14 0.00 2.02 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 0.00 2.24 2.12 0.00 128 L 7.98 4.61 0.00 1.64 1.58 0.92 0.77 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 0.00 129 P 0.00 4.72 0.00 1.97 2.05 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.55 0.00 130 T 8.26 4.22 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 1.21 0.00 0.00 131 M 7.99 4.88 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.05 0.00 132 D 8.39 4.80 0.00 2.55 2.59 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 0.00 133 E 8.16 4.31 0.00 1.98 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 2.19 1.86 0.00 * Residues marked with a * may have inaccurate shift predictions.