NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 I 4.1418 7.8833 120.7860 60.6215 39.4464 177.5876 11 V 3.6460 8.0421 114.7053 63.0264 31.6043 176.1220 12 D 4.3578 8.1943 118.8785 57.2024 42.6836 177.5014 13 K 4.1781 7.1743 120.8657 56.4654 30.7040 176.8128 *15 E 4.3561 7.8693 113.9180 56.4345 31.3136 177.5514 16 R 4.2750 8.1721 112.3258 55.9257 29.4741 176.6845 17 F 4.4153 8.0859 122.1920 60.2377 39.9130 176.1492 18 L 4.4873 7.8351 118.9544 54.4977 41.1159 176.6808 19 S 4.7469 7.4387 113.8660 57.8831 63.3545 174.2890 20 T 4.4017 7.3615 110.8856 62.4759 69.6425 171.4364 21 A 5.1311 8.0659 124.9121 50.2460 20.2772 178.1113 22 N 4.6336 8.5680 121.2509 51.9671 39.9069 175.8653 23 E 3.9001 8.6841 120.2078 60.3302 29.3857 178.9626 24 E 3.9286 8.2962 118.4121 58.9174 29.5839 178.0482 25 E 4.0652 8.6340 117.7249 59.9877 29.7068 180.1414 26 K 4.2077 8.4435 118.3023 59.2845 31.8271 179.0453 27 D 4.3544 8.2651 118.3895 57.5949 41.3901 177.7856 28 V 3.6306 8.7842 119.5201 65.5984 31.3517 177.2952 29 L 3.8403 8.1641 119.2746 58.4974 42.0088 179.3063 30 S 4.2870 7.8767 112.7555 61.6412 62.3022 176.4538 31 S 4.2575 8.2476 117.4830 61.7234 62.6681 176.3743 32 I 3.6566 7.8553 121.9753 64.7037 36.8237 178.1943 33 V 3.6087 8.6386 119.7082 66.1940 31.3329 177.5484 34 D 4.5009 8.1899 118.6018 58.1069 40.6352 178.3519 35 G 3.7304 8.7329 105.6073 48.0684 0.0000 175.0222 36 L 4.0606 8.4997 120.5470 57.3169 41.4867 179.9101 37 L 3.9757 8.1679 119.8460 58.0410 42.2478 178.7071 38 A 4.1637 8.5669 120.5611 54.0520 18.2543 179.6240 39 K 3.8595 8.3035 119.5380 59.7489 32.1623 179.0880 40 Q 3.9703 7.8081 116.3722 58.9539 28.5852 177.2797 41 E 4.0718 7.7383 118.3908 56.1377 29.8085 176.3301 42 R 3.9234 7.8851 115.9400 58.2503 27.9859 177.3504 43 R 4.0974 7.7566 116.3178 57.5337 30.2533 176.6943 44 Y 4.8009 7.4218 115.3798 55.9891 41.8763 175.9567 45 A 4.0277 9.0256 127.6633 54.4322 19.0679 178.0039 46 T 4.6516 7.4789 104.6398 59.7713 72.9691 174.7397 47 Y 3.9287 8.3337 119.2087 60.8229 38.0830 178.2022 48 L 3.9618 8.0238 120.6662 58.1255 42.2690 178.7778 49 A 3.8249 7.6370 120.4045 55.1461 18.1281 179.4111 50 S 2.7900 7.2965 110.1389 61.1573 62.5451 175.9975 51 L 4.1743 8.3261 119.7098 56.3329 41.6602 177.9155 52 T 4.2900 7.2871 110.9105 60.7529 68.1374 173.9140 53 Q 3.6621 8.1861 117.5109 56.2452 26.8053 173.7294 54 I 4.1640 7.8208 110.1821 61.3971 38.6872 174.9661 55 E 4.8302 9.0504 124.0429 54.7749 32.0232 175.0078 56 S 5.4625 8.3767 119.4224 56.7014 65.8756 173.3857 57 Q 4.2755 8.2981 117.5312 55.2762 31.8450 172.8092 58 E 3.9256 8.4020 122.0593 56.1306 30.6533 176.2540 59 R 4.3326 8.0081 124.6802 54.7009 31.7179 176.3374 60 E 3.9988 8.9596 121.0001 59.5359 29.5769 177.3094 61 D 4.6720 7.7498 115.6005 52.8842 40.5685 175.3865 62 G 3.6977 8.6254 106.6778 48.6236 0.0000 174.2923 63 R 4.3220 7.3878 117.6508 56.3939 31.8026 175.3926 64 F 4.8550 9.4985 122.2464 56.3475 42.7286 173.3591 65 E 5.1795 8.2443 125.6021 54.3898 32.8743 174.6772 66 V 4.9810 8.7973 125.8807 61.3320 34.7966 174.1420 67 R 5.3127 8.7961 124.7239 54.6314 32.7213 174.9129 68 L 5.0183 8.8678 122.1846 52.6777 45.3450 173.8763 69 P 4.8803 0.0000 0.0000 63.0527 32.1744 175.6632 70 I 4.3693 8.8304 125.4846 60.0526 38.3709 175.4999 71 G 4.2561 8.4287 114.4268 43.2400 0.0000 171.1710 72 P 4.3528 0.0000 0.0000 65.3693 31.3709 178.9629 73 L 3.9951 7.9932 118.8200 57.1991 42.2800 177.3740 74 V 4.1512 7.8812 116.8341 62.8465 32.3366 175.3306 75 N 4.8592 7.6531 116.1143 53.3421 39.3129 173.5237 76 N 4.9582 8.1707 117.2059 49.9368 39.8620 173.5637 77 P 4.2050 0.0000 0.0000 65.6443 30.8413 176.5754 78 L 4.5462 7.8443 117.2946 54.4446 41.9260 175.9659 79 N 3.8803 7.8246 116.1447 53.7045 35.6784 172.6139 *81 V 3.9236 7.7054 118.0416 62.0980 32.9630 174.7327 82 H 3.9951 9.1599 127.5127 56.4147 30.3078 176.0860 83 G 3.9017 8.8663 113.3852 47.9145 0.0000 175.9108 84 G 3.6428 8.3843 107.4179 47.9516 0.0000 175.9007 85 I 3.8593 7.7980 121.9542 64.0677 37.1330 178.5633 86 T 3.8696 8.1044 116.6089 66.5323 68.2734 176.3165 87 A 3.9940 8.0882 122.4959 55.8022 18.4986 179.8011 88 T 3.8096 8.3494 114.3861 66.5074 68.3903 176.7262 89 L 3.9221 7.8954 122.3940 57.9889 42.0252 178.3658 90 L 3.9208 7.6752 118.8272 58.3914 42.0561 177.9605 91 D 4.6363 8.1406 116.5166 57.8883 41.4251 178.1753 92 T 4.1183 7.9454 115.7786 66.5005 68.2055 177.0780 93 A 4.2392 8.1463 118.1231 53.1560 18.4283 178.6705 *95 G 3.8514 8.0083 109.2912 47.1273 0.0000 177.2227 96 Q 3.7433 7.7456 119.4053 55.4805 29.2300 179.7084 *98 V 3.7355 8.0199 118.0435 63.0211 32.9362 177.3008 99 N 4.3839 8.0798 115.4651 55.8556 38.4356 176.6882 100 R 4.0669 7.5839 116.3349 58.1245 30.3699 177.1761 101 Q 4.5167 7.7327 115.4797 55.2473 28.8084 175.0526 102 L 4.7530 7.3923 117.2405 51.8536 44.4220 174.6478 103 P 4.3950 0.0000 0.0000 62.7123 32.0014 177.1843 104 D 4.3655 8.7172 119.6427 57.4003 40.8325 177.5030 105 G 4.0923 7.7826 106.4811 45.4927 0.0000 172.9315 106 Q 4.8098 7.5819 116.4311 54.5724 33.4691 174.2199 107 S 4.7682 8.3995 114.2011 57.6079 66.8701 172.3025 108 A 5.1577 8.4796 119.6865 50.5436 22.3647 176.0909 109 V 4.5311 9.1583 113.3662 59.3287 35.7513 174.9232 110 T 2.7547 8.6217 121.0622 64.6374 68.2637 173.4274 111 S 4.3614 8.4059 121.3976 59.7656 62.7241 173.5470 112 E 4.8524 8.4714 118.5406 54.5444 33.2695 174.3384 113 L 4.8976 8.0947 122.2480 53.9651 45.5104 174.3663 114 N 5.1172 9.5719 124.2687 52.1498 42.6322 173.2362 115 I 4.8277 8.2320 124.7737 59.9694 41.1335 174.0698 116 H 4.6955 8.4087 120.2826 54.0647 31.0283 172.6041 117 Y 4.3370 8.5809 122.7003 57.4482 38.5762 173.9693 118 V 4.2983 8.4840 122.2497 63.6091 33.9313 175.4050 119 K 4.7370 7.5632 118.4342 53.3312 35.5183 174.2603 120 P 4.3038 0.0000 0.0000 62.6404 31.6877 176.8438 121 G 3.6532 8.5874 112.6837 45.4698 0.0000 173.8635 *123 G 3.8278 8.2031 110.4217 45.7892 0.0000 172.5085 124 T 4.5392 9.2985 109.8310 62.7928 70.4765 174.4819 125 Y 5.1758 7.1303 117.4227 56.5079 40.4076 173.3350 126 L 4.9415 9.0626 120.6542 53.3036 45.2218 176.0921 127 R 5.0375 9.0259 121.0167 54.8070 32.7937 173.4240 128 A 4.9100 9.1649 129.4549 50.8813 20.8047 175.9250 129 V 4.9938 9.4677 122.5969 61.0694 34.6269 174.2324 130 A 5.4992 9.1531 129.6394 50.3045 22.3961 175.0124 131 S 4.9050 9.3372 114.1536 56.4892 66.8264 173.6180 132 I 4.0098 8.4983 123.8912 61.8039 36.9322 175.8689 133 V 4.2678 8.5534 125.8457 63.9758 33.3854 175.1385 134 H 4.6535 7.6825 117.1660 55.3840 33.1003 172.3593 135 Q 4.4904 8.3865 125.5566 54.2360 29.2616 174.6936 136 G 3.8885 8.2182 114.2193 44.0705 0.0000 171.1928 137 K 4.2906 8.3230 116.7288 56.5042 32.7741 177.6608 138 Q 4.2877 7.7880 117.9153 57.5278 29.7973 175.5984 139 R 4.6846 7.5768 115.8109 53.6886 33.7434 173.0513 140 I 4.5040 8.9711 121.2622 59.6220 40.2011 174.6901 141 V 4.7337 8.3084 128.4145 61.7887 33.0390 175.2137 142 V 5.1131 8.8602 126.6093 59.9859 35.4870 173.9696 143 E 5.0528 9.1871 118.1040 55.2332 33.2432 174.3213 144 G 4.4228 8.6077 107.1000 45.8543 0.0000 172.1797 145 K 4.8007 9.0708 118.3730 54.4585 37.0050 175.7924 146 V 4.6758 8.4348 122.7240 61.3108 34.1425 174.0706 147 Y 5.5357 8.6116 124.7040 56.4398 42.0474 175.6903 148 T 4.7445 8.7811 113.3803 60.4292 71.3637 174.8674 149 D 4.3745 8.2229 118.2746 54.0229 39.1650 176.6120 150 Q 4.3160 7.6409 118.9750 55.8672 30.2041 176.5813 151 G 3.9923 7.7782 103.7304 44.9849 0.0000 173.9450 152 E 4.0678 8.0441 120.0983 56.5286 30.0599 176.1530 153 T 4.7100 8.4644 119.8106 63.0824 68.9344 175.6064 154 V 3.8733 9.2040 128.3900 65.5426 32.8635 175.0787 155 A 4.9380 6.7760 119.4589 52.0720 22.4098 175.0977 *157 G 4.0759 8.5629 101.7854 46.7323 0.0000 171.9575 158 T 5.1731 8.5719 109.1364 59.9318 72.7977 173.3677 159 G 4.5648 8.9159 108.6893 45.2787 0.0000 171.6755 160 S 5.5210 8.7380 119.8967 56.7764 64.7623 172.6830 161 F 5.2350 9.4602 125.3589 55.6470 42.4728 173.8785 162 F 4.6627 9.3351 126.0281 57.1461 40.7413 174.7849 163 V 4.3156 7.2479 126.5658 62.3985 32.3733 175.7833 164 L 4.5063 9.2881 127.5121 54.8939 41.5027 176.3118 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 10 I 7.88 4.14 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 1.42 1.28 0.91 0.00 0.00 11 V 8.04 3.65 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 0.68 0.00 0.00 0.93 0.00 0.00 12 D 8.19 4.36 0.00 2.64 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 13 K 7.17 4.18 0.00 1.92 1.77 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.47 7.81 *15 E 7.87 4.36 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.29 0.00 16 R 8.17 4.28 0.00 1.94 2.04 0.00 2.65 0.00 0.00 3.83 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 17 F 8.09 4.42 0.00 3.00 3.12 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 18 L 7.84 4.49 0.00 1.73 1.69 1.29 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.44 4.75 0.00 3.93 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 20 T 7.36 4.40 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 1.17 0.00 0.00 21 A 8.07 5.13 0.82 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 0.00 0.00 22 N 8.57 4.63 0.00 2.90 2.92 0.00 0.00 6.20 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 23 E 8.68 3.90 0.00 1.99 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 0.00 2.41 2.35 0.00 24 E 8.30 3.93 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 25 E 8.63 4.07 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.73 0.00 26 K 8.44 4.21 0.00 1.92 1.89 0.00 1.64 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.47 7.81 27 D 8.27 4.35 0.00 2.88 2.84 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 0.00 0.00 0.00 28 V 8.78 3.63 2.34 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 1.04 0.00 0.00 1.03 0.00 0.00 29 L 8.16 3.84 0.00 1.80 1.81 0.82 1.34 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 30 S 7.88 4.29 0.00 4.08 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 31 S 8.25 4.26 0.00 4.11 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 32 I 7.86 3.66 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.92 0.89 0.00 0.00 33 V 8.64 3.61 2.10 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 1.05 0.00 0.00 1.01 0.00 0.00 34 D 8.19 4.50 0.00 2.99 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 35 G 8.73 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 36 L 8.50 4.06 0.00 1.88 1.88 0.94 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.17 3.98 0.00 2.12 1.81 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.57 4.16 1.52 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 0.00 0.00 0.00 39 K 8.30 3.86 0.00 1.74 1.94 0.00 1.40 0.00 0.00 1.33 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.37 1.14 7.81 40 Q 7.81 3.97 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 41 E 7.74 4.07 0.00 2.01 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 2.30 2.33 0.00 42 R 7.89 3.92 0.00 1.97 1.99 0.00 3.20 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 43 R 7.76 4.10 0.00 1.64 1.66 0.00 3.42 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 44 Y 7.42 4.80 0.00 2.90 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 45 A 9.03 4.03 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.48 4.65 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 1.24 0.00 0.00 47 Y 8.33 3.93 0.00 3.10 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 48 L 8.02 3.96 0.00 1.70 1.66 0.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.64 3.82 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 50 S 7.30 2.79 0.00 3.79 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 51 L 8.33 4.17 0.00 1.68 1.69 1.08 0.64 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 52 T 7.29 4.29 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 1.26 0.00 0.00 53 Q 8.19 3.66 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.21 0.00 54 I 7.82 4.16 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.66 0.94 0.00 0.00 55 E 9.05 4.83 0.00 1.91 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 2.21 2.26 0.00 56 S 8.38 5.46 0.00 4.18 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 57 Q 8.30 4.28 0.00 1.87 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.03 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 58 E 8.40 3.93 0.00 1.97 1.80 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 2.27 2.53 0.00 59 R 8.01 4.33 0.00 2.00 1.82 0.00 3.22 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 60 E 8.96 4.00 0.00 1.88 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 2.29 2.37 0.00 61 D 7.75 4.67 0.00 2.81 2.71 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 62 G 8.63 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 63 R 7.39 4.32 0.00 2.00 2.07 0.00 3.10 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 1.70 1.65 0.00 64 F 9.50 4.86 0.00 3.00 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 65 E 8.24 5.18 0.00 1.97 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 2.17 2.25 0.00 66 V 8.80 4.98 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 1.11 0.00 0.00 1.15 0.00 0.00 67 R 8.80 5.31 0.00 2.12 2.03 0.00 2.56 0.00 0.00 2.65 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.45 0.00 68 L 8.87 5.02 0.00 1.75 1.58 0.96 0.96 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 69 P 0.00 4.88 0.00 2.02 2.03 0.00 3.96 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 2.18 2.16 0.00 70 I 8.83 4.37 2.06 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 1.20 0.64 0.93 0.00 0.00 71 G 8.43 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 72 P 0.00 4.35 0.00 2.22 2.15 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 73 L 7.99 4.00 0.00 1.60 1.72 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.88 4.15 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 1.01 0.00 0.00 0.95 0.00 0.00 75 N 7.65 4.86 0.00 2.80 2.75 0.00 0.00 6.83 7.88 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 76 N 8.17 4.96 0.00 2.74 2.82 0.00 0.00 5.62 7.76 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 77 P 0.00 4.21 0.00 2.18 2.27 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 78 L 7.84 4.55 0.00 1.66 1.69 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 79 N 7.82 3.88 0.00 2.82 2.83 0.00 0.00 6.74 7.18 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 *81 V 7.71 3.92 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 0.81 0.00 0.00 0.98 0.00 0.00 82 H 9.16 4.00 0.00 3.32 3.19 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.87 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 84 G 8.38 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 7.80 3.86 2.03 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 1.65 0.85 0.95 0.00 0.00 86 T 8.10 3.87 4.65 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 0.00 0.00 0.00 1.25 0.00 0.00 87 A 8.09 3.99 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.35 3.81 4.31 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 1.23 0.00 0.00 89 L 7.90 3.92 0.00 1.98 1.91 0.98 0.58 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 90 L 7.68 3.92 0.00 1.92 1.71 0.85 1.01 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 91 D 8.14 4.64 0.00 2.71 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 92 T 7.95 4.12 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 1.27 0.00 0.00 93 A 8.15 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 *95 G 8.01 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 96 Q 7.75 3.74 0.00 1.49 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 6.34 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 *98 V 8.02 3.74 1.82 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 0.84 0.00 0.00 -0.04 0.00 0.00 99 N 8.08 4.38 0.00 2.57 2.80 0.00 0.00 7.18 7.39 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 0.00 100 R 7.58 4.07 0.00 1.80 1.99 0.00 3.31 0.00 0.00 3.62 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.52 0.00 101 Q 7.73 4.52 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.61 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 102 L 7.39 4.75 0.00 1.54 1.50 0.89 1.01 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 0.00 103 P 0.00 4.39 0.00 2.15 1.98 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 104 D 8.72 4.37 0.00 2.66 2.73 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 0.00 105 G 7.78 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 0.00 106 Q 7.58 4.81 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 107 S 8.40 4.77 0.00 3.87 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 0.00 108 A 8.48 5.16 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 0.00 109 V 9.16 4.53 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 0.78 0.00 0.00 1.09 0.00 0.00 110 T 8.62 2.75 4.03 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 0.93 0.00 0.00 111 S 8.41 4.36 0.00 3.95 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 0.00 112 E 8.47 4.85 0.00 1.95 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 2.21 2.24 0.00 113 L 8.09 4.90 0.00 1.50 1.44 0.99 0.85 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 0.00 114 N 9.57 5.12 0.00 2.71 2.59 0.00 0.00 6.67 7.83 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 0.00 115 I 8.23 4.83 1.61 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.63 0.48 0.00 0.00 116 H 8.41 4.70 0.00 3.07 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Y 8.58 4.34 0.00 3.01 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 0.00 118 V 8.48 4.30 2.36 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 0.89 0.00 0.00 0.94 0.00 0.00 119 K 7.56 4.74 0.00 1.99 1.66 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.40 7.81 120 P 0.00 4.30 0.00 2.04 2.01 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 121 G 8.59 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *123 G 8.20 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 0.00 124 T 9.30 4.54 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 1.25 0.00 0.00 125 Y 7.13 5.18 0.00 3.12 2.98 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 0.00 126 L 9.06 4.94 0.00 1.63 1.65 0.96 0.82 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 0.00 127 R 9.03 5.04 0.00 2.18 2.04 0.00 3.18 0.00 0.00 3.40 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 128 A 9.16 4.91 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 0.00 129 V 9.47 4.99 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 1.17 0.00 0.00 1.14 0.00 0.00 130 A 9.15 5.50 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 0.00 131 S 9.34 4.91 0.00 3.82 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 0.00 132 I 8.50 4.01 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.49 0.98 0.00 0.00 133 V 8.55 4.27 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 0.75 0.00 0.00 1.07 0.00 0.00 134 H 7.68 4.65 0.00 3.24 3.09 0.00 5.86 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 8.39 4.49 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.69 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 136 G 8.22 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 0.00 137 K 8.32 4.29 0.00 1.70 1.80 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.37 7.81 138 Q 7.79 4.29 0.00 2.04 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 139 R 7.58 4.68 0.00 2.00 1.98 0.00 2.98 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 140 I 8.97 4.50 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.77 0.87 0.00 0.00 141 V 8.31 4.73 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 1.09 0.00 0.00 1.00 0.00 0.00 142 V 8.86 5.11 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 0.73 0.00 0.00 0.92 0.00 0.00 143 E 9.19 5.05 0.00 2.00 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 2.40 2.27 0.00 144 G 8.61 4.42 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 0.00 145 K 9.07 4.80 0.00 1.38 0.84 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.22 1.31 7.81 146 V 8.43 4.68 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 1.04 0.00 0.00 0.85 0.00 0.00 147 Y 8.61 5.54 0.00 3.03 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 0.00 148 T 8.78 4.74 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 1.26 0.00 0.00 149 D 8.22 4.37 0.00 2.58 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.64 4.32 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.85 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 151 G 7.78 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 0.00 152 E 8.04 4.07 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 153 T 8.46 4.71 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 1.24 0.00 0.00 154 V 9.20 3.87 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 1.32 0.00 0.00 0.95 0.00 0.00 155 A 6.78 4.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *157 G 8.56 4.08 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 0.00 0.00 0.00 158 T 8.57 5.17 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 1.22 0.00 0.00 159 G 8.92 4.56 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 0.00 0.00 0.00 160 S 8.74 5.52 0.00 3.95 3.76 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 0.00 161 F 9.46 5.24 0.00 2.89 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 F 9.34 4.66 0.00 3.15 2.98 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 0.00 163 V 7.25 4.32 1.81 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 0.74 0.00 0.00 0.80 0.00 0.00 164 L 9.29 4.51 0.00 1.46 1.57 0.98 0.99 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 * Residues marked with a * may have inaccurate shift predictions.