NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4962 0.0000 0.0000 61.9559 33.0487 174.8877 3 E 4.3609 8.7995 126.7462 55.8355 30.2852 174.6644 4 I 4.1881 9.7224 130.4053 60.6522 37.9214 175.7756 5 R 4.1902 8.6950 126.8889 56.1225 30.8582 176.2733 6 L 4.5996 8.3368 122.5668 53.2393 42.7722 176.2256 7 R 4.3418 7.9602 124.5349 57.7347 29.6930 176.1547 8 H 4.8557 8.1093 110.8604 54.4877 33.0301 172.1267 9 V 4.2027 8.2590 119.8779 62.5498 31.2965 175.9399 10 V 4.0758 8.4388 128.5029 64.1552 32.5582 176.4733 11 S 4.7145 7.6208 114.5770 57.4517 67.8249 173.1292 12 C 4.8820 8.1483 119.9021 58.8510 33.3916 173.8553 13 S 4.3948 8.9165 122.5114 61.1740 63.6469 175.1223 14 S 4.5131 7.9520 114.5388 57.0691 64.5648 172.9573 15 Q 5.0083 8.4670 125.2026 54.1432 31.1442 174.4772 16 D 4.5454 9.0711 120.8308 53.7353 42.0882 177.0998 17 S 4.1886 8.8712 120.5013 61.4744 62.9703 175.5380 18 T 4.1876 7.9697 108.9729 63.4261 70.1561 175.3532 19 H 4.8059 8.1679 120.8648 53.5123 27.4190 174.0166 20 C 4.9560 7.8045 116.5532 56.3954 32.3843 174.9162 21 A 3.7560 9.6657 121.1691 55.1049 17.7891 179.4391 22 E 4.1511 8.1397 116.1004 58.7266 29.4152 178.2594 23 N 4.7182 8.0755 115.7501 54.7978 38.6427 176.7835 24 L 4.1773 8.2529 120.9667 57.3543 41.8680 177.8642 25 L 4.2214 7.4842 115.0896 55.4921 41.8254 176.7037 26 K 4.4617 7.4853 118.8487 53.9934 33.7933 175.8588 27 A 3.9227 8.6099 127.8248 52.9527 18.7951 175.1119 28 D 4.1140 8.4993 124.1444 54.4032 38.6216 173.3346 *31 R 4.3488 8.1103 118.6988 54.8525 31.2344 175.9203 32 K 4.8793 7.8299 118.1449 54.6015 35.5994 174.5035 33 W 5.7435 8.5678 132.4682 55.3016 32.8139 175.0408 34 R 4.8618 9.0474 124.2528 53.1352 34.4179 174.6472 35 A 4.1043 7.6673 122.9717 52.1467 18.7194 177.9441 36 A 4.1670 8.7036 122.8156 54.6948 19.2630 179.7882 37 K 4.0038 7.2199 111.9482 57.1957 32.1848 177.8679 38 A 4.0599 8.2254 121.7064 52.0090 18.2168 179.3774 39 G 3.6027 8.1048 103.5022 44.7265 0.0000 176.9469 40 E 3.4188 8.6855 122.4781 56.5382 30.3921 173.3439 41 K 4.1183 8.1555 120.0825 56.5764 36.0743 174.2537 42 T 5.2717 8.2235 115.2757 61.6509 71.2206 173.3068 43 I 4.7044 8.8741 119.6744 59.5067 41.2700 174.2806 44 S 5.3972 8.8175 116.2880 57.1932 66.5510 173.4198 45 V 4.3501 8.5734 124.8978 60.5337 34.3954 173.4657 46 V 4.1758 8.2637 126.5471 61.6776 32.9767 174.4064 47 L 4.9628 8.2027 128.1103 53.0587 43.5773 176.2807 48 Q 4.4498 9.3050 126.1761 55.8111 31.4133 174.8070 49 L 4.2268 8.0814 122.8962 54.4791 44.3541 175.1862 50 E 3.9659 9.1900 127.7229 58.9111 29.6586 177.3647 51 K 4.5309 7.4581 119.1670 54.8040 32.9892 175.9342 52 E 5.1756 8.9452 126.2150 55.2468 30.9045 175.3614 53 E 4.8976 8.3347 118.6170 55.2851 32.1178 174.9158 54 Q 4.4024 8.7777 119.4961 56.3166 29.9105 175.1522 55 I 4.7332 8.3933 121.8516 60.3172 39.0768 175.0315 56 H 4.8144 9.1048 125.9064 58.2468 30.9202 174.6902 57 S 5.0182 7.9554 110.6792 57.2488 67.2567 173.0371 58 V 4.8948 9.1221 119.1924 61.5601 35.0417 173.0440 59 D 5.6292 9.1512 127.4862 52.6519 43.9869 175.1041 60 I 4.3872 8.9746 123.6796 59.3443 40.9104 174.4818 61 G 3.4719 7.3851 115.0322 44.2997 0.0000 172.5037 62 N 4.7914 8.4169 124.7224 52.2160 41.0714 174.1452 63 D 4.8756 8.4057 120.6736 52.8011 40.4966 176.1486 64 G 4.1189 8.4604 106.7696 45.3702 0.0000 173.0379 65 S 4.3063 7.9982 116.3242 58.1665 63.4982 174.3862 66 A 4.0726 8.8528 127.0853 54.3103 19.4442 177.1834 67 F 5.4369 7.7646 112.3164 56.3355 44.2772 174.3068 68 V 4.7122 9.7669 121.4055 61.6382 34.6519 173.3731 69 E 4.8112 9.7036 130.5743 54.4520 31.7703 174.5332 70 V 4.6310 7.9036 126.6423 61.4951 33.6007 174.3094 71 L 5.0556 9.3010 129.4844 53.2058 45.8459 175.3224 72 V 4.8547 8.0071 123.0780 60.3013 35.2536 174.3050 73 G 4.0033 8.3257 107.1753 46.0251 0.0000 172.1646 74 S 5.0474 8.5640 115.9806 56.9993 63.9598 175.1022 75 S 4.0389 8.9417 118.1281 60.8408 61.1547 174.4355 76 A 4.4499 7.7725 122.1097 51.3699 20.6280 176.8750 77 G 3.8227 9.0072 104.6673 46.4333 0.0000 173.1376 78 G 3.9069 6.9785 108.4768 44.7578 0.0000 174.3592 79 A 4.5052 8.5110 126.5369 51.3254 20.2843 176.1763 80 G 3.9512 7.8396 106.2123 45.2243 0.0000 174.1102 81 E 4.0993 8.8333 119.1059 59.5471 29.5981 178.2467 82 Q 4.2609 8.1267 114.1756 57.4394 29.2169 175.9683 83 D 4.8737 7.4807 119.8689 53.4835 40.5865 176.5610 84 Y 4.6993 7.5523 115.0205 56.3026 42.5933 174.5719 85 E 4.6773 8.8200 125.6741 53.9061 32.4271 175.1428 86 V 3.8141 8.3997 127.0058 63.5107 31.8363 174.5993 87 L 4.3828 8.6737 129.4661 56.3979 43.9688 175.2950 88 L 5.0006 7.5058 120.5908 52.7303 44.5129 176.0238 89 V 4.0237 8.3466 125.5053 61.4252 32.7310 175.4923 90 T 3.8920 8.5223 118.6160 64.9469 68.8072 173.5255 91 S 5.1527 9.0263 122.8803 56.7101 66.3545 173.3913 92 S 5.5361 8.5961 115.8892 55.9634 64.7323 173.7147 93 F 4.7731 8.8430 120.7682 56.3443 40.1233 175.1460 94 M 4.4041 7.3788 116.6107 54.7186 32.6113 175.3085 95 S 4.1672 8.4868 117.6364 57.1258 64.4066 173.2911 96 P 2.9700 0.0000 0.0000 65.6565 30.8397 178.5162 97 S 4.3960 7.7108 111.1584 59.4528 63.5097 175.7759 98 E 4.0826 7.5477 120.3894 58.8186 29.3201 178.6545 99 S 4.1101 8.0465 114.6903 61.6626 62.9608 176.7518 100 R 4.1108 7.8616 119.9680 59.1553 29.9998 178.8394 101 S 4.3274 7.6817 111.9558 59.0079 63.4178 175.4914 102 G 3.9463 8.2137 110.4819 45.3841 0.0000 173.8506 103 S 4.3270 7.5013 114.3986 58.6083 64.5390 173.6398 104 N 4.1397 8.4662 118.2276 53.9427 35.0452 172.2566 105 P 4.6228 0.0000 0.0000 62.7406 33.8228 178.1191 106 N 5.6497 8.1148 116.9501 52.0387 39.7609 174.7805 107 R 4.2300 8.2644 116.7367 56.2687 30.9360 175.5507 108 V 4.8187 8.4939 122.1336 60.3404 33.1639 174.9864 109 R 4.4713 8.9669 125.0366 54.7363 32.3930 175.3274 110 M 4.7223 8.0154 121.1760 54.3620 34.5985 175.9996 111 F 4.6737 9.0808 122.5842 55.8184 42.1407 174.8996 112 G 4.2962 8.5066 113.8885 43.5762 0.0000 170.5386 113 P 4.3748 0.0000 0.0000 65.8883 31.0234 178.4330 114 D 4.4298 8.1212 117.4345 56.8102 40.8057 177.3052 115 K 4.3156 8.3686 116.9290 57.1323 32.5999 176.8344 116 L 4.7248 7.3545 118.8875 53.2103 43.4404 177.7571 117 V 3.9763 8.2467 121.7527 62.1463 29.1803 177.0161 118 R 4.1150 8.1354 120.0591 57.3227 30.5579 178.0598 119 A 4.0583 8.1002 120.8688 55.2450 18.4534 178.4093 120 A 4.5928 8.0897 115.0449 52.6448 19.0159 177.6145 121 A 4.7120 7.8553 117.8191 52.2945 19.4678 177.5541 122 E 4.5742 8.1146 114.1998 56.1044 30.5898 176.2714 123 K 4.3901 7.7309 118.9436 55.0607 34.4368 175.6512 124 R 4.7038 7.4218 113.9726 55.0379 32.5990 174.1529 125 W 5.2642 8.3863 117.8665 56.0405 33.3425 174.2053 126 D 4.8241 8.9669 114.6726 53.5170 42.3857 175.1500 127 R 4.9756 8.4442 118.7602 54.6847 33.4257 176.1267 128 V 4.1665 8.3648 114.5063 59.1666 34.9444 174.4266 129 K 4.0955 8.9487 127.9462 56.7821 32.9873 175.2384 130 I 4.7326 8.5150 129.6150 59.7392 39.3630 175.1199 131 V 4.9489 9.2017 127.1672 61.4054 34.0917 173.7745 132 C 5.3411 8.8751 125.2472 58.1750 30.9057 173.2979 133 S 5.0379 8.9020 118.7461 57.2727 66.4825 173.1677 134 Q 4.2526 8.1283 119.2080 55.3706 30.4783 171.6716 135 P 4.3202 0.0000 0.0000 62.4959 32.1773 176.6176 136 Y 4.6835 8.3127 116.3580 58.0772 38.1286 175.2872 137 S 4.6113 7.5421 116.8885 57.8700 66.9140 174.4352 138 K 4.6607 8.5740 123.0831 55.0869 34.2758 176.3248 139 D 4.7055 9.0784 123.7308 53.2644 42.0851 174.0653 140 S 3.5631 8.9236 121.2497 57.7950 60.3760 170.4538 141 P 4.3823 0.0000 0.0000 62.5184 30.6717 177.2119 142 F 3.9822 8.1409 111.2331 56.6548 40.0860 174.1534 143 G 3.4532 6.5843 107.9300 45.0106 0.0000 171.9642 144 L 5.0806 7.8710 122.7510 53.1878 45.5975 178.2262 145 S 4.3522 8.8595 119.5804 61.5855 63.6702 173.8609 146 F 4.9816 7.5328 112.4782 56.7513 40.7029 172.8716 147 V 4.8070 8.5249 116.7232 60.9169 34.0633 174.0155 148 R 4.7408 8.8826 120.6275 54.9279 35.0416 174.0260 149 F 5.2561 8.8989 120.7186 56.1205 42.8254 173.8509 150 H 5.6944 9.0510 118.2120 54.1664 33.2695 171.8829 151 S 5.3017 8.2508 112.6519 55.6832 66.4032 172.7886 152 P 4.2553 0.0000 0.0000 62.8552 31.1082 176.6890 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 2 P 0.00 4.50 0.00 2.15 2.13 0.00 3.83 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 3 E 8.80 4.36 0.00 2.16 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 2.36 2.48 0.00 4 I 9.72 4.19 2.07 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.89 0.94 0.00 0.00 5 R 8.69 4.19 0.00 1.72 1.89 0.00 3.21 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 6 L 8.34 4.60 0.00 1.65 1.60 1.05 0.97 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 7 R 7.96 4.34 0.00 1.74 1.97 0.00 3.41 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 8 H 8.11 4.86 0.00 3.18 3.34 0.00 5.25 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.26 4.20 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 0.75 0.00 0.00 0.82 0.00 0.00 10 V 8.44 4.08 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 0.75 0.00 0.00 0.95 0.00 0.00 11 S 7.62 4.71 0.00 3.71 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 12 C 8.15 4.88 0.00 2.81 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 13 S 8.92 4.39 0.00 4.00 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 S 7.95 4.51 0.00 3.83 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 15 Q 8.47 5.01 0.00 2.34 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 16 D 9.07 4.55 0.00 2.85 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 17 S 8.87 4.19 0.00 4.01 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 18 T 7.97 4.19 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 1.17 0.00 0.00 19 H 8.17 4.81 0.00 3.24 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 C 7.80 4.96 0.00 3.43 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 21 A 9.67 3.76 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.14 4.15 0.00 2.07 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 2.40 2.45 0.00 23 N 8.08 4.72 0.00 3.07 2.99 0.00 0.00 7.17 6.74 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 24 L 8.25 4.18 0.00 1.59 1.75 0.48 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.48 4.22 0.00 1.70 1.73 0.92 0.83 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 26 K 7.49 4.46 0.00 1.80 1.73 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.50 7.81 27 A 8.61 3.92 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 28 D 8.50 4.11 0.00 2.76 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 *31 R 8.11 4.35 0.00 1.97 2.21 0.00 3.12 0.00 0.00 3.47 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 32 K 7.83 4.88 0.00 1.69 1.82 0.00 1.56 0.00 0.00 1.94 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.44 7.81 33 W 8.57 5.74 0.00 3.50 3.11 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 34 R 9.05 4.86 0.00 1.64 1.47 0.00 2.98 0.00 0.00 3.08 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.23 0.00 35 A 7.67 4.10 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.70 4.17 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 37 K 7.22 4.00 0.00 1.95 1.88 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.53 7.81 38 A 8.23 4.06 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 39 G 8.10 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.69 3.42 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 41 K 8.16 4.12 0.00 1.75 1.67 0.00 1.58 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.17 1.11 7.81 42 T 8.22 5.27 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 1.25 0.00 0.00 43 I 8.87 4.70 2.01 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.55 0.77 0.00 0.00 44 S 8.82 5.40 0.00 3.90 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 45 V 8.57 4.35 0.68 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 -0.12 0.00 0.00 0.31 0.00 0.00 46 V 8.26 4.18 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 0.99 0.00 0.00 0.79 0.00 0.00 47 L 8.20 4.96 0.00 1.57 1.49 0.70 1.06 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 48 Q 9.30 4.45 0.00 2.05 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.17 0.00 49 L 8.08 4.23 0.00 1.84 1.64 1.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 50 E 9.19 3.97 0.00 2.01 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 2.35 2.37 0.00 51 K 7.46 4.53 0.00 1.83 1.72 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.37 7.81 52 E 8.95 5.18 0.00 2.09 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 2.21 2.11 0.00 53 E 8.33 4.90 0.00 1.97 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 2.18 2.31 0.00 54 Q 8.78 4.40 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 55 I 8.39 4.73 2.02 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.73 1.21 0.00 0.00 56 H 9.10 4.81 0.00 3.20 3.43 0.00 5.93 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 S 7.96 5.02 0.00 4.09 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 58 V 9.12 4.89 2.19 0.00 0.00 0.00 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 1.07 0.00 0.00 59 D 9.15 5.63 0.00 2.81 2.77 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 60 I 8.97 4.39 2.27 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.89 0.58 0.00 0.00 61 G 7.39 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.42 4.79 0.00 2.52 2.77 0.00 0.00 6.14 9.28 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 63 D 8.41 4.88 0.00 2.82 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 0.00 0.00 0.00 0.00 64 G 8.46 4.12 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 0.00 0.00 0.00 65 S 8.00 4.31 0.00 3.89 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 66 A 8.85 4.07 1.10 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 0.00 0.00 67 F 7.76 5.44 0.00 2.97 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 68 V 9.77 4.71 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 0.29 0.00 0.00 69 E 9.70 4.81 0.00 2.02 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 2.16 2.30 0.00 70 V 7.90 4.63 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 1.05 0.00 0.00 0.87 0.00 0.00 71 L 9.30 5.06 0.00 1.63 1.38 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.01 4.85 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 -0.52 0.00 0.00 0.43 0.00 0.00 73 G 8.33 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 0.00 0.00 0.00 74 S 8.56 5.05 0.00 3.76 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 75 S 8.94 4.04 0.00 4.01 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 76 A 7.77 4.45 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 77 G 9.01 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 6.98 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 79 A 8.51 4.51 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 G 7.84 3.95 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 0.00 0.00 0.00 81 E 8.83 4.10 0.00 1.98 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 2.27 2.29 0.00 82 Q 8.13 4.26 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.33 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 83 D 7.48 4.87 0.00 2.71 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 84 Y 7.55 4.70 0.00 3.00 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 85 E 8.82 4.68 0.00 1.98 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 2.37 2.30 0.00 86 V 8.40 3.81 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 0.78 0.00 0.00 0.90 0.00 0.00 87 L 8.67 4.38 0.00 1.62 1.54 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.51 5.00 0.00 1.60 1.31 0.58 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.35 4.02 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 0.77 0.00 0.00 0.92 0.00 0.00 90 T 8.52 3.89 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 91 S 9.03 5.15 0.00 4.03 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 92 S 8.60 5.54 0.00 3.84 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 93 F 8.84 4.77 0.00 3.01 3.09 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 94 M 7.38 4.40 0.00 2.24 1.97 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 95 S 8.49 4.17 0.00 3.86 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 96 P 0.00 2.97 0.00 1.86 1.50 0.00 3.33 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.42 0.00 97 S 7.71 4.40 0.00 3.80 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 7.55 4.08 0.00 2.30 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 2.25 2.27 0.00 99 S 8.05 4.11 0.00 3.99 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.86 4.11 0.00 1.86 1.98 0.00 3.16 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 101 S 7.68 4.33 0.00 3.99 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 0.00 102 G 8.21 3.95 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 0.00 0.00 0.00 103 S 7.50 4.33 0.00 3.93 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 0.00 104 N 8.47 4.14 0.00 2.95 2.89 0.00 0.00 6.91 8.02 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 0.00 105 P 0.00 4.62 0.00 2.10 2.28 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 106 N 8.11 5.65 0.00 2.63 2.87 0.00 0.00 7.30 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 0.00 107 R 8.26 4.23 0.00 1.93 2.09 0.00 3.14 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.82 0.00 108 V 8.49 4.82 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.29 0.00 0.00 109 R 8.97 4.47 0.00 1.85 1.17 0.00 2.28 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.24 0.00 110 M 8.02 4.72 0.00 1.87 1.85 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 111 F 9.08 4.67 0.00 3.23 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 0.00 112 G 8.51 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.37 0.00 2.22 2.20 0.00 3.69 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 2.07 1.86 0.00 114 D 8.12 4.43 0.00 2.70 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 0.00 115 K 8.37 4.32 0.00 2.04 2.16 0.00 1.83 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.70 7.81 116 L 7.35 4.72 0.00 1.79 1.74 1.06 0.97 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 0.00 117 V 8.25 3.98 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.99 0.00 0.00 118 R 8.14 4.11 0.00 1.88 2.02 0.00 3.30 0.00 0.00 3.30 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 119 A 8.10 4.06 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 0.00 120 A 8.09 4.59 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 0.00 121 A 7.86 4.71 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.11 4.57 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 123 K 7.73 4.39 0.00 1.36 1.20 0.00 1.68 0.00 0.00 1.48 0.00 0.00 3.08 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.27 1.42 7.81 124 R 7.42 4.70 0.00 1.74 1.84 0.00 2.90 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.43 0.00 125 W 8.39 5.26 0.00 3.16 3.21 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 0.00 126 D 8.97 4.82 0.00 3.00 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 0.00 127 R 8.44 4.98 0.00 1.99 1.98 0.00 3.16 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 128 V 8.36 4.17 1.85 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 0.30 0.00 0.00 0.61 0.00 0.00 129 K 8.95 4.10 0.00 1.39 0.92 0.00 0.95 0.00 0.00 1.39 0.00 0.00 2.62 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.19 1.21 7.81 130 I 8.52 4.73 1.91 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 1.24 1.01 1.02 0.00 0.00 131 V 9.20 4.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.90 0.00 0.00 132 C 8.88 5.34 0.00 2.85 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 0.00 133 S 8.90 5.04 0.00 3.90 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 0.00 134 Q 8.13 4.25 0.00 1.39 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.88 0.00 0.00 0.00 0.00 0.00 2.11 1.87 0.00 135 P 0.00 4.32 0.00 1.76 1.81 0.00 3.07 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.49 0.00 136 Y 8.31 4.68 0.00 3.02 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 0.00 137 S 7.54 4.61 0.00 3.93 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 0.00 138 K 8.57 4.66 0.00 1.71 1.55 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.24 0.99 7.81 139 D 9.08 4.71 0.00 2.75 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 0.00 140 S 8.92 3.56 0.00 4.02 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 P 0.00 4.38 0.00 2.04 1.84 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 142 F 8.14 3.98 0.00 3.21 3.20 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 0.00 143 G 6.58 3.45 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 0.00 0.00 0.00 0.00 144 L 7.87 5.08 0.00 1.73 1.73 1.13 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 145 S 8.86 4.35 0.00 3.82 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 0.00 146 F 7.53 4.98 0.00 3.12 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.52 4.81 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 0.77 0.00 0.00 0.57 0.00 0.00 148 R 8.88 4.74 0.00 1.80 1.74 0.00 3.26 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 149 F 8.90 5.26 0.00 2.92 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 0.00 150 H 9.05 5.69 0.00 3.19 3.25 0.00 5.55 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 S 8.25 5.30 0.00 3.91 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 0.00 152 P 0.00 4.26 0.00 2.05 1.95 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.