NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 E 4.3385 8.4449 121.4714 56.0043 30.8344 174.8659 12 Q 4.5719 8.3316 123.5651 51.8324 32.3655 174.4883 13 S 4.5739 9.5163 118.6790 57.6057 66.7780 175.4220 14 R 4.0269 8.3647 119.9950 58.8263 29.6814 179.1611 15 L 4.0357 7.8627 120.1340 58.2262 42.2174 178.3768 16 D 4.4037 8.2674 118.9021 57.5378 40.7473 178.8924 17 L 4.0191 8.0004 119.3908 57.7382 41.3702 179.4524 18 F 4.3623 8.1145 119.7373 61.2299 39.4461 176.9893 19 I 3.6404 7.6952 118.3734 64.5950 37.2866 177.8317 20 D 4.4954 8.2294 119.6804 57.1558 40.4773 178.9225 21 R 3.7700 8.1176 115.3886 57.6836 29.7984 177.8949 *23 V 3.9092 7.6779 118.6460 62.8233 33.4991 177.7435 24 S 4.1138 8.0881 115.7781 61.4943 62.5240 176.6108 25 Q 3.9726 8.2620 121.0270 58.8490 28.4722 178.8377 26 R 3.6637 7.8323 118.8563 59.3184 30.2067 178.2215 27 A 3.9537 7.9118 120.4043 55.4337 18.3849 179.4686 28 C 4.1157 8.5391 115.5654 62.9240 28.1466 176.4083 29 L 4.0155 8.3334 121.0227 57.8243 41.2131 179.4063 30 E 3.9515 8.2857 118.5772 59.5128 29.3021 178.9014 31 H 4.0996 8.3016 118.0293 59.3199 29.7707 177.2188 32 A 3.9167 8.1915 121.5588 55.0605 18.5167 179.3443 33 I 3.7735 8.1793 118.5144 64.4891 37.0915 178.4414 34 A 3.9916 7.8790 121.4650 55.3925 18.0589 179.5982 35 Q 4.1218 8.1539 114.8645 57.7638 28.9552 177.2368 36 T 4.4854 7.3307 108.6692 61.0907 69.1381 175.9154 37 A 3.9919 7.8428 126.5681 55.1267 18.3790 179.3566 38 G 3.8462 8.0169 102.6025 46.0760 0.0000 173.3697 39 L 4.7044 7.6672 120.2086 53.0707 43.4790 176.5541 40 S 4.6065 8.3795 114.3210 57.9263 64.2760 174.4097 41 G 4.4848 8.0154 108.3309 44.9419 0.0000 171.5258 42 P 4.8827 0.0000 0.0000 62.5027 33.3561 175.0470 43 V 4.6211 8.7770 120.9248 62.0748 33.3305 173.9922 44 Y 5.6775 9.1964 126.0329 56.5559 40.4226 174.1758 45 E 5.0929 9.8968 126.1653 54.7170 31.7733 174.8038 46 L 4.6753 9.4179 129.5401 55.8077 43.0412 176.2884 47 G 3.9582 9.3908 115.0696 46.2232 0.0000 172.0885 48 L 4.1903 9.6682 128.1905 57.0785 43.5609 177.0541 49 G 3.9713 8.1100 108.5538 46.3752 0.0000 175.6045 50 N 4.2037 8.7628 119.0657 55.1744 39.1977 176.2959 51 G 4.3416 8.1799 105.7572 45.6304 0.0000 175.4649 52 R 3.9933 8.3367 121.0240 59.3246 29.9967 178.9861 53 T 4.0303 7.9970 109.1820 64.7242 68.8292 175.8952 54 Y 4.2930 8.1801 121.9947 60.9288 38.9080 177.3515 55 H 3.8565 8.6935 119.4839 59.4588 30.0160 176.6465 56 H 4.0972 8.4062 119.9065 59.2500 29.7093 177.1652 57 L 4.0010 8.2465 121.0884 58.0223 41.2575 179.7293 58 R 3.8212 7.6704 116.9498 59.2322 29.9489 178.6057 59 Q 3.9586 7.6487 118.1440 58.6599 29.1298 176.8742 60 H 4.5846 7.7724 115.0548 55.1177 29.9536 175.2940 61 V 3.9747 7.6652 121.5567 61.9108 31.6978 175.0167 62 Q 4.4968 8.3863 125.5334 55.2209 31.3590 176.1440 63 G 3.9792 9.1503 109.5450 45.9378 0.0000 173.0406 64 R 4.7783 7.2607 116.9497 54.0629 34.2305 175.1088 65 E 4.3109 8.7900 120.8953 56.2775 31.3700 175.6266 66 I 5.0392 8.1622 122.4101 60.0394 39.8348 174.4574 67 Y 4.7500 9.4331 125.6260 56.4234 40.3715 174.8467 68 V 4.8948 8.7822 124.0901 61.2435 34.1375 174.0971 69 F 5.2431 9.4270 127.3472 55.9818 40.8487 174.4469 70 E 5.0352 8.7642 123.5019 55.2243 32.8226 176.0181 71 R 4.0815 8.8120 121.6169 57.8497 30.4742 176.6491 72 A 4.3808 8.3532 121.3635 50.3282 21.2641 175.5700 73 V 3.8476 8.4166 123.3958 63.0438 32.0227 176.2845 74 A 4.7423 8.1705 132.9470 51.2037 19.4821 176.0446 75 S 4.8190 8.0256 113.7407 58.4214 64.4690 173.0494 76 H 4.3294 8.9645 122.0404 55.8957 30.1895 174.6743 77 P 4.2629 0.0000 0.0000 65.7579 31.2661 177.1966 78 D 4.7471 7.9971 113.7929 54.2500 39.3209 176.1656 79 S 4.9476 8.3626 116.4191 59.0103 63.9653 173.7472 80 T 4.6940 8.3768 116.4376 60.1270 69.9477 173.1488 81 P 4.7237 0.0000 0.0000 61.1291 32.3022 174.5708 82 P 4.3557 0.0000 0.0000 62.5075 32.2036 176.8223 83 E 3.8186 9.0647 122.1375 59.5024 29.5473 179.1837 84 A 4.1046 8.0155 119.8258 54.5762 18.7520 177.6076 85 Q 4.3472 8.2190 113.5450 55.5420 30.1584 174.7350 86 L 4.7794 7.7289 122.5179 53.7151 43.6539 176.1672 87 I 4.1420 8.6474 127.9153 59.4680 38.4159 173.6942 88 L 4.6637 8.9486 129.0746 53.5941 43.1887 176.3433 89 G 3.8908 7.9207 112.5980 43.8638 0.0000 172.1300 90 D 4.6342 8.4681 119.7199 53.4169 42.6066 177.5021 91 I 4.3275 8.4972 122.2723 63.4211 37.2917 178.3714 92 R 3.9947 8.5573 119.6110 58.5719 30.1318 177.7705 93 E 4.4120 8.0739 117.6837 58.4618 30.5106 178.2962 94 T 4.0476 8.2254 109.8909 64.3002 68.8510 176.8955 95 L 4.0008 8.0951 122.0722 57.4716 41.6062 177.6520 96 P 4.2635 0.0000 0.0000 65.4360 31.1395 178.5109 97 A 3.9770 7.9162 119.2017 55.5825 18.2695 179.8964 98 T 3.6362 8.2635 114.4757 66.4106 68.4415 176.7288 99 L 4.0211 8.3115 122.6068 58.2863 41.8490 178.9461 100 E 3.9534 7.7808 117.4261 59.1355 29.3883 179.1650 101 R 3.9098 7.3772 118.0457 58.9162 30.3474 177.6905 102 F 5.1792 8.3005 114.2542 57.5803 41.0258 177.1633 103 G 3.8570 8.3274 107.0412 45.1701 0.0000 173.2960 104 A 4.5997 8.2128 118.7847 51.7969 17.3389 178.3479 105 T 4.5097 7.4549 109.3231 60.2941 70.7215 174.5670 106 A 4.2654 8.0748 126.2519 52.2949 19.0019 178.7666 107 S 4.2398 8.9623 116.6990 60.1586 65.2206 174.2245 108 L 5.0171 7.5062 121.9829 53.7223 45.4327 174.1796 109 V 4.9180 8.7291 126.6264 61.3879 33.9069 173.8679 110 H 5.3820 9.6697 128.2061 54.3546 32.5299 172.3863 111 A 5.0408 9.1202 127.5197 49.8462 21.5976 175.1723 112 D 5.4486 8.1509 121.9092 51.7390 39.9587 175.1725 113 L 4.5023 8.1283 117.4711 54.5109 43.1615 177.8910 114 G 3.8350 8.0325 108.2383 45.4532 0.0000 174.2008 115 G 4.2815 8.4701 111.8916 44.8236 0.0000 173.4664 116 H 4.1262 8.8584 118.8562 57.9251 30.5127 175.9674 117 N 4.7600 7.9221 117.9014 52.2119 39.6894 175.2788 118 R 4.0051 8.4822 128.3938 59.1841 30.2627 178.9170 119 E 4.0014 8.2361 118.1661 59.3204 29.6111 179.2077 120 K 4.0119 8.5795 118.6461 59.5380 32.0244 179.0673 121 N 4.4183 8.2759 116.7866 56.4835 38.4952 176.9804 122 D 4.3911 8.2584 119.4193 57.3700 41.3210 178.4623 123 R 3.8784 8.1129 118.7479 59.1394 29.9349 178.8542 124 F 4.1843 8.4396 120.3776 61.0399 39.3563 176.9847 125 A 3.8608 8.3256 120.6977 55.1060 17.9351 179.5474 126 R 3.3275 7.6062 115.8118 59.3544 30.1816 178.1209 127 L 3.9337 7.5068 118.8478 57.9349 42.3990 178.4557 128 I 3.7750 7.5855 112.1486 62.4076 37.7918 177.9943 129 S 3.9416 7.4928 117.8154 61.2399 62.5064 174.7166 130 P 4.4802 0.0000 0.0000 65.0552 31.2609 177.7742 131 L 4.2049 7.6529 118.1622 57.3202 42.0106 178.5407 132 I 4.0092 7.8701 119.9682 63.8882 37.1105 177.4963 133 E 3.7489 8.3587 120.2568 59.1247 29.2180 177.1075 134 P 4.3981 0.0000 0.0000 64.6900 31.6458 177.4960 135 H 4.4859 8.4391 115.5055 56.6970 28.7593 174.8036 136 L 4.6309 7.0512 121.2913 53.9519 42.0843 177.3012 137 A 4.4239 8.7783 125.8268 51.0224 19.9410 176.6409 138 Q 4.0593 8.4805 118.5134 57.6942 28.8230 177.8311 139 G 3.9242 9.2664 112.7475 45.0828 0.0000 174.0316 140 G 3.7130 8.1238 107.8016 46.6147 0.0000 173.3736 141 L 6.0954 8.1248 121.9649 52.1609 45.7486 174.8799 *143 V 4.4879 8.1968 118.8358 64.0263 32.9415 175.7517 144 S 5.4107 9.2772 121.6198 56.7072 66.4169 173.9716 145 S 5.3365 8.8682 118.7471 58.0202 64.0983 173.1577 146 D 5.1924 8.2134 120.3594 52.2192 43.6098 175.7068 147 R 2.6094 7.9885 122.9657 56.5143 30.7887 176.0517 *149 Y 4.1367 7.8885 116.6870 57.8054 38.3067 174.9212 150 F 4.9540 7.2124 119.3341 56.4903 41.2196 176.3294 151 E 4.3240 9.7661 123.0471 58.1842 29.7972 178.1287 152 G 4.0594 8.8222 105.1575 45.4952 0.0000 173.3318 153 L 4.4785 7.9408 119.8924 54.4448 42.4886 176.4095 154 E 4.5947 8.9138 121.8895 55.1837 31.5863 175.0981 155 E 4.4423 8.9391 124.4923 56.1401 30.4620 175.5643 156 L 4.8749 8.3955 127.0097 52.0692 43.9142 174.9164 157 P 4.3414 0.0000 0.0000 62.5580 31.9653 176.3325 158 L 4.0878 8.0699 120.5303 53.9229 42.4749 175.3424 159 P 4.4468 0.0000 0.0000 61.0305 32.4616 173.7838 160 P 4.3321 0.0000 0.0000 64.4959 31.5578 176.4045 161 G 3.9443 8.9279 109.8908 45.4265 0.0000 173.8869 162 A 4.1671 7.3355 121.3435 51.6286 19.3296 176.5900 163 V 4.2661 8.0873 119.5924 60.3864 33.4886 175.6831 164 V 3.6012 8.1675 127.1598 64.4450 31.7465 176.0412 165 G 3.9606 8.5188 115.4002 45.4346 0.0000 174.5343 166 R 4.2118 7.7615 118.7433 58.3092 30.7171 175.9168 167 C 5.4746 7.4461 112.4841 57.9037 31.7747 173.1641 168 F 4.7705 9.3286 118.8562 55.7812 43.0488 173.9882 169 I 4.8681 8.0350 122.0510 59.7637 40.6150 174.1016 170 Y 5.3635 8.6750 122.7470 56.2436 42.5711 174.2564 171 R 4.9756 9.0050 121.2861 54.5841 34.2423 174.2805 172 R 4.4247 8.8838 126.8783 55.0971 30.9083 176.6825 173 G 3.7409 8.5413 114.8275 45.8497 0.0000 172.3244 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 11 E 8.44 4.34 0.00 1.95 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 2.20 2.35 0.00 12 Q 8.33 4.57 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 13 S 9.52 4.57 0.00 4.08 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 14 R 8.36 4.03 0.00 1.88 2.01 0.00 3.13 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 15 L 7.86 4.04 0.00 1.79 1.69 1.03 1.32 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 16 D 8.27 4.40 0.00 2.91 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.00 4.02 0.00 1.77 1.78 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.11 4.36 0.00 3.04 3.31 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 19 I 7.70 3.64 2.00 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 1.49 0.79 0.86 0.00 0.00 20 D 8.23 4.50 0.00 2.86 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 21 R 8.12 3.77 0.00 2.00 2.04 0.00 3.24 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 *23 V 7.68 3.91 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 0.91 0.00 0.00 0.88 0.00 0.00 24 S 8.09 4.11 0.00 4.01 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 25 Q 8.26 3.97 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 26 R 7.83 3.66 0.00 1.69 1.96 0.00 3.16 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 27 A 7.91 3.95 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 28 C 8.54 4.12 0.00 3.00 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 29 L 8.33 4.02 0.00 1.70 1.70 0.75 0.81 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 30 E 8.29 3.95 0.00 2.08 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 0.00 2.16 2.37 0.00 31 H 8.30 4.10 0.00 3.30 3.52 0.00 5.78 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 32 A 8.19 3.92 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 33 I 8.18 3.77 2.00 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 1.47 1.03 0.92 0.00 0.00 34 A 7.88 3.99 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.15 4.12 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.03 0.00 0.00 0.00 0.00 0.00 2.24 2.14 0.00 36 T 7.33 4.49 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 1.30 0.00 0.00 37 A 7.84 3.99 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.02 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 39 L 7.67 4.70 0.00 1.72 1.56 0.89 0.70 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 40 S 8.38 4.61 0.00 3.93 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 41 G 8.02 4.48 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 0.00 0.00 0.00 42 P 0.00 4.88 0.00 2.53 2.46 0.00 3.74 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.88 0.00 43 V 8.78 4.62 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 1.21 0.00 0.00 0.98 0.00 0.00 44 Y 9.20 5.68 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 45 E 9.90 5.09 0.00 2.28 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 2.38 2.44 0.00 46 L 9.42 4.68 0.00 1.60 1.60 0.81 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 47 G 9.39 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 48 L 9.67 4.19 0.00 1.67 1.80 0.87 0.82 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 49 G 8.11 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 0.00 0.00 0.00 50 N 8.76 4.20 0.00 2.79 2.91 0.00 0.00 7.14 7.91 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 51 G 8.18 4.34 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 0.00 52 R 8.34 3.99 0.00 1.93 2.03 0.00 3.20 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.87 0.00 53 T 8.00 4.03 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 1.28 0.00 0.00 54 Y 8.18 4.29 0.00 3.11 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 55 H 8.69 3.86 0.00 3.38 3.48 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.41 4.10 0.00 3.47 3.45 0.00 5.84 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 57 L 8.25 4.00 0.00 1.90 1.74 1.14 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 58 R 7.67 3.82 0.00 1.58 1.74 0.00 2.37 0.00 0.00 2.54 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.70 0.00 59 Q 7.65 3.96 0.00 1.90 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 60 H 7.77 4.58 0.00 3.22 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.67 3.97 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 0.82 0.00 0.00 0.99 0.00 0.00 62 Q 8.39 4.50 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.76 0.00 0.00 0.00 0.00 0.00 2.30 2.22 0.00 63 G 9.15 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 0.00 0.00 0.00 64 R 7.26 4.78 0.00 1.83 1.80 0.00 3.21 0.00 0.00 3.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.58 0.00 65 E 8.79 4.31 0.00 2.02 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 66 I 8.16 5.04 2.10 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 1.46 0.68 1.22 0.00 0.00 67 Y 9.43 4.75 0.00 3.18 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 68 V 8.78 4.89 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 0.73 0.00 0.00 0.36 0.00 0.00 69 F 9.43 5.24 0.00 2.96 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.76 5.04 0.00 2.07 1.72 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 2.21 2.32 0.00 71 R 8.81 4.08 0.00 1.96 2.06 0.00 3.05 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 72 A 8.35 4.38 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 73 V 8.42 3.85 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 0.80 0.00 0.00 0.90 0.00 0.00 74 A 8.17 4.74 1.24 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 0.00 0.00 75 S 8.03 4.82 0.00 4.19 4.05 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 76 H 8.96 4.33 0.00 3.19 3.28 0.00 5.59 0.00 0.00 0.00 0.00 6.79 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 4.26 0.00 2.01 2.07 0.00 3.26 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.03 0.00 78 D 8.00 4.75 0.00 2.83 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 79 S 8.36 4.95 0.00 4.05 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 80 T 8.38 4.69 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 81 P 0.00 4.72 0.00 2.03 1.54 0.00 3.30 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.65 0.00 82 P 0.00 4.36 0.00 2.19 2.02 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.11 0.00 83 E 9.06 3.82 0.00 2.03 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 2.38 2.39 0.00 84 A 8.02 4.10 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 85 Q 8.22 4.35 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 1.96 1.28 0.00 86 L 7.73 4.78 0.00 1.58 1.70 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.65 4.14 0.75 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.73 0.55 0.00 0.00 88 L 8.95 4.66 0.00 1.59 1.52 0.99 1.10 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 89 G 7.92 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.47 4.63 0.00 2.75 2.79 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 91 I 8.50 4.33 1.87 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.16 1.03 0.00 0.00 92 R 8.56 3.99 0.00 1.96 2.07 0.00 3.25 0.00 0.00 3.52 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 93 E 8.07 4.41 0.00 2.18 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 0.00 2.34 2.42 0.00 94 T 8.23 4.05 4.28 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 1.31 0.00 0.00 95 L 8.10 4.00 0.00 1.86 1.78 0.78 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.26 0.00 2.17 2.11 0.00 3.69 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 2.23 2.17 0.00 97 A 7.92 3.98 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 98 T 8.26 3.64 4.51 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 1.15 0.00 0.00 99 L 8.31 4.02 0.00 1.80 1.80 0.74 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.78 3.95 0.00 2.31 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 2.19 0.00 101 R 7.38 3.91 0.00 1.55 1.59 0.00 2.77 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.31 0.00 102 F 8.30 5.18 0.00 3.09 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 0.00 103 G 8.33 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 0.00 0.00 0.00 104 A 8.21 4.60 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 105 T 7.45 4.51 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 1.27 0.00 0.00 106 A 8.07 4.27 0.67 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 0.00 0.00 107 S 8.96 4.24 0.00 3.86 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 0.00 108 L 7.51 5.02 0.00 1.74 1.51 0.96 0.85 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 0.00 109 V 8.73 4.92 2.11 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 0.87 0.00 0.00 0.90 0.00 0.00 110 H 9.67 5.38 0.00 3.28 3.37 0.00 5.59 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 0.00 111 A 9.12 5.04 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 0.00 112 D 8.15 5.45 0.00 2.60 2.58 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 0.00 113 L 8.13 4.50 0.00 1.88 1.83 1.10 1.11 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 0.00 114 G 8.03 3.84 0.00 0.00 0.00 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139 G 9.27 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 0.00 140 G 8.12 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 6.10 0.00 1.60 1.61 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 *143 V 8.20 4.49 2.23 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 1.14 0.00 0.00 1.00 0.00 0.00 144 S 9.28 5.41 0.00 4.10 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 0.00 145 S 8.87 5.34 0.00 4.09 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 0.00 146 D 8.21 5.19 0.00 2.70 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 0.00 147 R 7.99 2.61 0.00 0.82 1.40 0.00 2.91 0.00 0.00 2.93 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.97 0.00 *149 Y 7.89 4.14 0.00 2.71 2.79 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 0.00 150 F 7.21 4.95 0.00 2.92 2.87 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 0.00 0.00 0.00 151 E 9.77 4.32 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 152 G 8.82 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 0.00 0.00 0.00 153 L 7.94 4.48 0.00 1.35 1.60 -0.34 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 154 E 8.91 4.59 0.00 2.10 2.11 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 2.49 2.28 0.00 155 E 8.94 4.44 0.00 2.11 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 2.15 1.99 0.00 156 L 8.40 4.87 0.00 1.50 1.55 0.93 0.96 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 0.00 157 P 0.00 4.34 0.00 2.13 2.02 0.00 3.75 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 1.97 0.00 158 L 8.07 4.09 0.00 1.56 1.53 0.73 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.45 0.00 2.08 1.75 0.00 3.62 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 1.98 1.89 0.00 160 P 0.00 4.33 0.00 2.02 2.01 0.00 3.57 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 161 G 8.93 3.94 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 0.00 0.00 0.00 162 A 7.34 4.17 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 0.00 163 V 8.09 4.27 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 0.91 0.00 0.00 0.88 0.00 0.00 164 V 8.17 3.60 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 0.77 0.00 0.00 0.86 0.00 0.00 165 G 8.52 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 0.00 166 R 7.76 4.21 0.00 1.88 1.93 0.00 3.23 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 167 C 7.45 5.47 0.00 2.74 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 0.00 168 F 9.33 4.77 0.00 3.13 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 0.00 169 I 8.03 4.87 1.80 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 1.36 0.81 0.93 0.00 0.00 170 Y 8.68 5.36 0.00 2.90 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 R 9.00 4.98 0.00 1.83 1.71 0.00 3.07 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 172 R 8.88 4.42 0.00 1.85 1.90 0.00 3.14 0.00 0.00 3.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 173 G 8.54 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.