NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.4063 8.2393 119.0739 55.4121 31.4346 176.6976 9 P 3.9916 0.0000 0.0000 64.8585 31.5140 175.3409 10 F 4.7602 8.7609 118.6153 55.5463 41.3867 176.5226 11 R 4.5552 8.4109 125.4942 53.0225 30.4396 173.5092 12 P 4.4736 0.0000 0.0000 62.3401 32.0303 176.7224 13 F 4.3545 8.6333 122.5486 58.4317 40.0095 175.2125 14 Q 3.8049 7.0472 127.4726 54.7696 29.8997 174.2408 15 S 4.2154 7.4488 120.1925 58.2535 63.8911 173.6456 16 Q 4.6621 8.1378 118.8505 54.5117 32.4026 174.2320 17 Y 4.4206 8.9573 120.0491 56.8667 39.0598 175.4759 18 R 5.0205 7.2259 121.1117 53.8109 34.5300 175.0387 19 W 4.6104 8.6479 118.6874 54.0411 31.0583 173.2529 20 P 4.5078 0.0000 0.0000 63.8284 31.3214 176.9491 21 G 4.0075 9.0451 110.2446 45.0984 0.0000 173.5501 22 V 4.1716 7.2335 119.4483 60.8833 32.6585 175.2883 23 D 4.4341 8.4727 127.2247 54.2198 41.3967 175.1279 24 L 4.5100 8.2646 125.1083 53.8388 43.5121 175.1922 25 L 4.3978 8.6989 129.1120 53.3765 43.5615 174.6361 26 A 4.6667 8.2363 128.8006 50.8686 20.1630 175.8133 27 Y 4.3547 8.3504 123.6307 57.6452 38.9193 176.5191 28 K 4.2669 8.9373 126.1965 54.4873 32.1403 173.5206 29 E 4.6625 8.7844 124.3773 54.3738 30.9997 174.1167 30 E 4.2166 8.2906 119.1327 57.2881 31.9013 176.6753 *32 S 4.2588 8.4426 115.2149 57.8988 65.4392 174.3860 33 A 3.8056 7.6105 123.9592 51.5205 18.5482 176.5079 34 P 4.3438 0.0000 0.0000 63.4955 31.9591 175.5292 35 F 5.0358 6.2438 113.2512 55.3151 40.7956 174.7047 36 R 4.3862 8.8156 118.2470 56.7546 33.1197 174.5657 37 S 3.7787 9.9280 124.0261 60.0888 60.6244 171.5160 38 V 5.1252 7.4820 119.7867 61.3250 35.0764 175.0557 39 T 5.1083 8.7500 116.4861 59.9794 72.4768 172.6091 40 R 4.7364 8.5146 121.7762 54.7530 34.1300 173.8067 41 Q 4.7860 8.4703 122.0978 54.2022 33.3940 174.0846 42 V 4.0678 8.2405 123.4703 61.7392 31.9625 175.0159 43 L 3.8615 8.9350 129.0189 56.1131 42.8584 177.6713 44 F 5.0480 7.5712 116.8691 55.7984 42.9225 174.4320 45 S 4.6859 9.0208 116.3962 58.3285 65.6948 175.8433 46 G 3.7333 8.6778 110.1735 46.2315 0.0000 174.1743 47 N 4.2712 9.4342 117.3351 54.0270 35.8249 175.0568 48 G 3.9047 8.3521 103.4253 46.0149 0.0000 174.1961 49 L 4.1346 7.5659 120.1486 54.6970 42.0763 177.3105 50 T 4.1986 8.6050 113.3434 62.7889 70.1406 174.5697 51 G 4.3654 7.9735 109.0865 44.9499 0.0000 172.7880 52 E 5.1197 9.1030 120.8050 54.1650 32.3769 175.4194 53 L 4.8508 9.0514 126.1145 53.6320 44.2697 175.4773 54 R 4.9710 8.9196 124.9866 54.4754 33.8656 174.2911 55 Y 4.9658 8.6753 121.4928 55.9682 41.7048 174.0069 56 F 4.5208 8.2449 125.6178 55.3076 42.1210 174.2428 57 E 4.5761 8.5616 123.3292 54.2778 32.4719 174.3589 58 V 4.7184 9.2700 128.8316 60.9775 33.5344 175.5775 59 G 4.1143 9.2965 115.8935 45.0149 0.0000 170.9202 60 P 4.9631 0.0000 0.0000 63.3967 31.6605 176.8694 61 G 3.8518 9.2630 109.9706 46.1573 0.0000 173.7085 62 G 4.2121 8.0138 108.6716 45.8349 0.0000 172.4208 63 H 5.5575 8.3916 112.9190 54.5299 31.9584 173.9315 64 S 4.9804 8.8860 115.8951 57.9263 64.5448 173.7544 65 T 4.3465 8.3879 117.3539 63.3393 68.8326 174.3224 66 L 4.4836 8.6374 129.1632 55.4619 42.7246 175.3794 67 E 5.4170 8.9393 123.8178 55.9163 33.8234 173.6503 68 R 4.8606 8.4561 114.9345 55.5631 33.3099 173.3578 69 H 3.9632 7.4192 113.7677 55.0641 30.9378 174.8679 70 Q 2.5200 8.2917 120.3197 58.6152 28.9510 175.8978 71 H 4.4459 7.4596 112.2438 55.2347 29.1307 175.6001 72 A 4.4311 8.4512 122.6613 52.2591 19.6237 176.2086 73 H 4.9550 9.1208 116.1098 53.8940 32.7295 173.2295 74 G 4.2746 8.7906 109.4873 44.9014 0.0000 172.6092 75 V 5.5398 8.4808 127.5965 60.3859 35.2475 173.8037 *77 I 4.3632 8.0231 119.5045 61.5701 37.9097 176.3096 78 L 5.0621 9.5443 127.6701 55.5591 44.7842 176.3465 79 K 4.4684 7.7936 118.3879 55.3902 35.5479 176.8633 80 G 4.0210 9.8967 112.7341 46.1917 0.0000 172.3230 81 R 4.6814 7.5124 119.3164 55.0841 32.7438 175.1603 82 G 4.1282 7.4802 103.9551 46.6017 0.0000 171.3090 83 H 5.4539 8.6409 117.4691 54.3762 33.2904 173.2116 84 A 4.9527 9.1299 122.8475 49.3838 22.8052 174.5579 *86 V 3.9600 8.3695 113.1836 62.2598 33.1157 176.7734 87 G 3.9091 9.1815 116.9958 46.8166 0.0000 174.1545 88 R 4.3861 8.9945 117.5118 55.2042 29.8169 175.0609 89 A 4.1672 7.9225 122.6682 51.7303 18.9666 177.4883 90 V 4.3105 8.1697 122.9692 60.9948 33.7363 174.5832 91 S 4.8241 8.7421 120.6785 56.1797 66.2049 172.9321 92 A 4.4302 8.6904 126.7117 52.3462 19.1260 177.2320 93 V 4.8205 8.9689 112.9781 60.0880 36.5844 174.3787 94 A 4.8966 9.0305 123.3080 50.0462 23.1726 173.9444 95 P 4.6244 0.0000 0.0000 62.3638 31.8302 177.2008 96 Y 5.6572 7.7232 120.1715 56.1507 37.6451 175.5062 97 D 4.6650 8.7100 120.6909 54.5296 42.3369 177.4921 98 L 4.9530 8.4671 121.3960 53.2858 43.7231 175.9651 99 V 4.4035 9.2032 123.6371 61.4197 34.2108 174.0590 100 T 4.7996 8.6295 124.5389 61.9602 70.4966 174.0520 101 I 4.3530 8.5761 127.9249 58.7887 39.4435 173.6693 102 P 4.6505 0.0000 0.0000 61.4547 32.8388 176.4815 103 G 3.8146 8.4237 109.5824 46.5318 0.0000 174.0780 104 W 3.6419 8.6593 122.4600 56.6845 27.7677 174.8378 105 S 4.3591 7.5973 115.0071 57.8424 63.1704 174.3749 106 W 4.8036 8.6067 124.0015 57.3099 30.1227 174.8148 107 H 5.1691 9.2859 118.6681 54.6306 32.1104 171.9841 108 Q 4.8041 8.0842 118.6083 55.3150 32.6551 172.4836 109 F 5.2488 9.5152 124.4511 55.8149 42.1749 174.7488 110 R 5.2144 9.4925 121.2968 54.4045 33.6582 174.3659 111 A 4.8468 8.6805 126.4448 50.2491 19.8879 175.4221 112 P 4.4641 0.0000 0.0000 62.5699 32.2226 177.3216 113 A 3.8919 8.7710 123.2010 54.5620 18.3703 178.1510 114 D 4.8551 7.9234 112.4012 53.0853 39.9810 175.4287 115 E 4.8041 7.5824 119.7588 55.0195 33.2925 173.9061 116 A 4.4211 8.6225 126.7188 51.5928 20.5319 175.7684 117 L 4.9925 9.3680 122.9649 53.2178 44.7456 175.4143 118 G 4.4095 9.4701 113.8686 43.5496 0.0000 171.8710 119 F 5.5588 8.0212 117.9802 55.2672 41.8283 173.6463 120 L 4.9620 8.8896 120.7807 55.2195 43.3701 175.3839 121 C 5.5141 8.8988 121.3736 57.4429 36.2244 172.5807 *123 V 4.3026 8.1279 112.3052 60.8394 33.0264 175.0378 124 N 4.8202 8.5861 118.8015 53.4423 38.5467 175.5563 125 A 4.1117 9.1070 125.8364 54.8692 19.1191 177.9507 126 E 4.3429 7.9860 115.2549 55.2539 30.2193 175.7761 127 R 4.4556 7.8922 118.7243 54.9791 31.8159 174.2183 128 D 4.6515 8.2581 118.8818 52.4565 40.5769 176.1417 129 K 4.2503 8.2474 119.4024 55.3832 32.8146 175.5900 130 P 4.6849 0.0000 0.0000 63.1709 32.3480 175.5545 131 Q 4.8547 9.2369 121.9323 54.2873 31.5883 174.8449 132 L 5.1668 8.5604 122.7619 52.4732 43.6893 174.8575 133 P 4.5727 0.0000 0.0000 62.8827 32.0602 177.0141 134 T 4.3043 9.1451 112.6740 60.8651 71.3196 175.4156 135 E 3.8685 8.6527 120.4494 59.2299 29.2146 178.4664 136 A 3.9249 7.8395 119.5523 55.1840 18.6534 178.6070 137 D 4.5048 7.7690 115.9858 57.7393 41.2598 178.9159 138 L 3.9203 7.7827 118.8300 57.4959 41.1965 180.2487 139 A 4.2444 7.7109 119.0862 52.2547 18.3829 179.4359 *141 L 4.1734 7.8836 121.7688 56.5880 43.4473 179.8204 142 R 4.0122 8.2260 115.2006 58.2156 30.0882 178.0133 143 A 4.0540 7.4712 120.2249 54.4545 18.7874 177.9030 144 D 4.6400 7.8314 115.2206 53.8521 43.2127 176.9922 145 D 4.3168 8.5604 125.8996 57.4374 41.0494 178.9391 146 A 3.9844 8.1195 121.1456 54.9194 18.2611 179.9772 147 V 3.4698 7.8722 116.1683 66.0885 31.7776 177.8756 148 A 3.9533 7.9618 120.3194 55.1837 18.1263 179.3620 149 A 3.9319 8.2727 119.4423 55.2901 18.5013 179.6619 150 F 3.9887 8.5041 119.2739 61.4923 39.3245 177.3160 151 L 4.0499 8.1230 116.8857 56.9005 41.5721 178.1453 152 D 4.6072 7.9003 117.1787 54.2867 41.0543 177.1356 153 G 3.7743 7.6526 107.7549 45.5994 0.0000 173.8505 154 L 4.5900 8.0459 117.7540 54.1424 42.0020 178.5317 155 A 4.0801 7.8906 123.7453 54.4075 18.6739 178.7375 156 G 3.7673 7.2426 108.3910 45.8806 0.0000 173.5218 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 8 R 8.24 4.41 0.00 1.85 1.88 0.00 3.24 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 9 P 0.00 3.99 0.00 1.46 1.94 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 10 F 8.76 4.76 0.00 3.07 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 11 R 8.41 4.56 0.00 1.80 1.90 0.00 3.23 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 12 P 0.00 4.47 0.00 2.22 2.12 0.00 3.84 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 13 F 8.63 4.35 0.00 2.99 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 14 Q 7.05 3.80 0.00 1.85 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 15 S 7.45 4.22 0.00 4.13 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 16 Q 8.14 4.66 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 17 Y 8.96 4.42 0.00 2.73 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 0.00 0.00 0.00 0.00 18 R 7.23 5.02 0.00 1.57 1.71 0.00 3.39 0.00 0.00 2.43 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 19 W 8.65 4.61 0.00 3.22 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 20 P 0.00 4.51 0.00 2.03 1.97 0.00 3.61 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 21 G 9.05 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 22 V 7.23 4.17 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 0.77 0.00 0.00 0.78 0.00 0.00 23 D 8.47 4.43 0.00 2.64 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 24 L 8.26 4.51 0.00 1.62 1.53 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.70 4.40 0.00 1.54 1.17 0.68 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.24 4.67 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 27 Y 8.35 4.35 0.00 2.62 2.39 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 28 K 8.94 4.27 0.00 1.77 1.63 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.03 7.81 29 E 8.78 4.66 0.00 2.03 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 2.37 2.65 0.00 30 E 8.29 4.22 0.00 1.95 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 *32 S 8.44 4.26 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 33 A 7.61 3.81 0.57 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 34 P 0.00 4.34 0.00 2.19 2.12 0.00 2.93 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 35 F 6.24 5.04 0.00 3.08 3.08 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 36 R 8.82 4.39 0.00 1.65 1.58 0.00 3.22 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 37 S 9.93 3.78 0.00 4.07 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 38 V 7.48 5.13 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 1.29 0.00 0.00 1.06 0.00 0.00 39 T 8.75 5.11 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 1.20 0.00 0.00 40 R 8.51 4.74 0.00 1.45 1.38 0.00 2.77 0.00 0.00 3.04 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 41 Q 8.47 4.79 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 42 V 8.24 4.07 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 0.72 0.00 0.00 0.82 0.00 0.00 43 L 8.94 3.86 0.00 1.06 0.66 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 44 F 7.57 5.05 0.00 2.90 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 45 S 9.02 4.69 0.00 3.93 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 46 G 8.68 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 9.43 4.27 0.00 2.90 2.92 0.00 0.00 6.76 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 48 G 8.35 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.57 4.13 0.00 1.82 1.73 0.88 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.60 4.20 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 1.20 0.00 0.00 51 G 7.97 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 0.00 0.00 0.00 0.00 52 E 9.10 5.12 0.00 1.80 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 2.24 2.22 0.00 53 L 9.05 4.85 0.00 1.85 1.72 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.92 4.97 0.00 1.85 1.34 0.00 3.36 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 55 Y 8.68 4.97 0.00 2.81 2.67 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 0.00 0.00 0.00 0.00 56 F 8.24 4.52 0.00 1.51 2.22 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 57 E 8.56 4.58 0.00 1.86 1.69 0.00 0.00 0.00 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 2.16 0.00 58 V 9.27 4.72 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 0.98 0.00 0.00 1.09 0.00 0.00 59 G 9.30 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 60 P 0.00 4.96 0.00 2.05 2.18 0.00 3.87 0.00 0.00 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 61 G 9.26 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 62 G 8.01 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 0.00 0.00 0.00 0.00 63 H 8.39 5.56 0.00 3.31 3.37 0.00 5.26 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.89 4.98 0.00 4.01 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 0.00 65 T 8.39 4.35 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 66 L 8.64 4.48 0.00 1.64 1.58 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.94 5.42 0.00 2.25 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 2.25 2.18 0.00 68 R 8.46 4.86 0.00 1.55 1.19 0.00 2.56 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.43 0.00 69 H 7.42 3.96 0.00 3.11 3.23 0.00 5.65 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.29 2.52 0.00 1.63 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.03 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 71 H 7.46 4.45 0.00 3.06 3.15 0.00 5.61 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 72 A 8.45 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 73 H 9.12 4.96 0.00 3.03 3.15 0.00 5.58 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.79 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 0.00 0.00 0.00 0.00 75 V 8.48 5.54 2.24 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 0.76 0.00 0.00 0.87 0.00 0.00 *77 I 8.02 4.36 2.08 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 1.55 0.80 1.09 0.00 0.00 78 L 9.54 5.06 0.00 1.91 2.09 1.21 0.95 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 79 K 7.79 4.47 0.00 1.34 1.42 0.00 0.61 0.00 0.00 1.39 0.00 0.00 2.69 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.20 1.09 7.81 80 G 9.90 4.02 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 0.00 0.00 0.00 81 R 7.51 4.68 0.00 2.00 1.90 0.00 3.15 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 82 G 7.48 4.13 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 0.00 83 H 8.64 5.45 0.00 3.25 3.50 0.00 5.76 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 9.13 4.95 0.66 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 0.00 0.00 *86 V 8.37 3.96 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 0.59 0.00 0.00 0.88 0.00 0.00 87 G 9.18 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 88 R 8.99 4.39 0.00 1.87 1.98 0.00 3.04 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 89 A 7.92 4.17 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 90 V 8.17 4.31 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 0.87 0.00 0.00 0.71 0.00 0.00 91 S 8.74 4.82 0.00 3.84 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 92 A 8.69 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 93 V 8.97 4.82 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 0.88 0.00 0.00 1.07 0.00 0.00 94 A 9.03 4.90 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 95 P 0.00 4.62 0.00 1.33 1.65 0.00 3.56 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.10 0.00 96 Y 7.72 5.66 0.00 3.02 2.93 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 97 D 8.71 4.67 0.00 2.62 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 98 L 8.47 4.95 0.00 1.56 1.64 0.97 0.90 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 99 V 9.20 4.40 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 1.08 0.00 0.00 1.03 0.00 0.00 100 T 8.63 4.80 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 0.00 101 I 8.58 4.35 1.86 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 1.17 0.73 0.72 0.00 0.00 102 P 0.00 4.65 0.00 2.07 1.96 0.00 3.60 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 103 G 8.42 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 0.00 0.00 0.00 104 W 8.66 3.64 0.00 3.32 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 0.00 105 S 7.60 4.36 0.00 3.87 3.79 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 0.00 0.00 0.00 106 W 8.61 4.80 0.00 3.27 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 H 9.29 5.17 0.00 2.99 3.27 0.00 5.30 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 8.08 4.80 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.53 2.67 0.00 109 F 9.52 5.25 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.49 5.21 0.00 1.51 1.64 0.00 2.21 0.00 0.00 2.69 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.37 0.00 111 A 8.68 4.85 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 0.00 112 P 0.00 4.46 0.00 2.35 2.24 0.00 3.80 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 2.01 0.00 113 A 8.77 3.89 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 0.00 114 D 7.92 4.86 0.00 2.78 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 0.00 115 E 7.58 4.80 0.00 2.04 1.78 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 2.29 2.34 0.00 116 A 8.62 4.42 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 0.00 117 L 9.37 4.99 0.00 1.94 1.63 1.12 1.19 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 0.00 118 G 9.47 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 0.00 0.00 0.00 0.00 119 F 8.02 5.56 0.00 2.99 3.01 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 0.00 120 L 8.89 4.96 0.00 1.80 1.75 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 121 C 8.90 5.51 0.00 3.31 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 *123 V 8.13 4.30 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 0.76 0.00 0.00 0.98 0.00 0.00 124 N 8.59 4.82 0.00 2.55 2.79 0.00 0.00 6.87 7.35 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 0.00 125 A 9.11 4.11 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 0.00 126 E 7.99 4.34 0.00 1.94 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 0.00 2.25 2.22 0.00 127 R 7.89 4.46 0.00 1.42 1.65 0.00 2.46 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.38 0.00 128 D 8.26 4.65 0.00 2.81 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 0.00 129 K 8.25 4.25 0.00 2.07 1.82 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.03 7.81 130 P 0.00 4.68 0.00 2.02 2.34 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 131 Q 9.24 4.85 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 132 L 8.56 5.17 0.00 1.60 1.65 0.96 1.14 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 0.00 133 P 0.00 4.57 0.00 1.79 0.87 0.00 3.77 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 1.79 1.53 0.00 134 T 9.15 4.30 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 1.31 0.00 0.00 135 E 8.65 3.87 0.00 2.07 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 2.35 2.41 0.00 136 A 7.84 3.92 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 0.00 137 D 7.77 4.50 0.00 2.79 2.38 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 0.00 138 L 7.78 3.92 0.00 1.73 1.60 0.82 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.71 4.24 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 *141 L 7.88 4.17 0.00 1.90 1.64 0.84 0.02 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 0.00 142 R 8.23 4.01 0.00 1.74 1.95 0.00 3.11 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 143 A 7.47 4.05 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 0.00 144 D 7.83 4.64 0.00 2.78 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 0.00 145 D 8.56 4.32 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.12 3.98 1.32 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 0.00 0.00 0.00 147 V 7.87 3.47 2.17 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 1.09 0.00 0.00 0.87 0.00 0.00 148 A 7.96 3.95 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 0.00 149 A 8.27 3.93 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 0.00 150 F 8.50 3.99 0.00 3.16 3.23 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 0.00 151 L 8.12 4.05 0.00 1.65 1.68 0.87 1.08 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 0.00 152 D 7.90 4.61 0.00 2.82 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 0.00 153 G 7.65 3.77 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 0.00 154 L 8.05 4.59 0.00 1.79 1.60 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 155 A 7.89 4.08 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 0.00 156 G 7.24 3.77 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 0.00 * Residues marked with a * may have inaccurate shift predictions.