NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3881 8.3044 120.3495 54.8427 33.4109 174.9486 2 I 3.6440 8.3703 126.1450 61.1770 38.8256 173.2404 3 Q 4.8609 8.3438 124.6024 54.1690 33.6722 173.8075 4 S 5.1473 8.5912 115.9406 56.8796 66.4161 173.1218 5 Q 4.8079 8.8660 120.4867 54.6810 30.3323 175.7714 6 I 4.3966 8.3991 111.6700 60.0794 39.1366 174.7188 7 N 4.8535 7.8401 120.1385 51.1076 40.5301 174.6597 8 R 3.9653 8.5763 124.0186 59.2320 29.3265 178.2872 9 N 4.4010 8.7558 117.6356 55.8912 38.4882 177.3056 10 I 3.6787 7.4634 121.7156 64.6604 37.2298 178.7213 11 R 4.0270 7.8985 118.0693 58.9026 29.9338 178.9932 12 L 4.0106 8.0770 119.2282 57.6964 41.6676 179.0633 13 D 4.3605 8.3664 119.1674 57.1755 40.6754 178.5013 14 L 3.9246 7.9167 120.4261 57.9902 41.9981 178.7154 15 A 4.1187 8.1156 120.8322 55.4895 18.3302 179.2279 16 D 4.2976 8.1175 116.9823 57.5177 40.8602 178.9859 17 A 4.0033 7.9443 120.9703 55.2862 18.3790 179.7160 18 I 3.6540 7.9599 118.3721 64.6332 37.2083 178.7607 19 L 4.0955 8.2451 119.9984 57.4055 41.3493 179.3844 20 L 3.9152 8.0676 120.4584 58.0949 42.0297 178.7693 21 S 4.0326 8.1358 113.1593 61.3965 62.3198 175.8202 22 K 3.7164 8.3931 122.3431 59.7075 31.8206 178.4963 23 A 3.9624 8.0684 120.7453 55.0648 18.0744 179.7787 24 K 3.9604 8.0448 116.2277 59.1678 32.2207 178.8478 25 K 4.1827 8.1465 116.0093 55.4327 32.9631 175.9411 26 D 4.2790 7.5832 118.2872 55.1024 40.1344 172.9380 27 L 4.7590 7.7358 116.7580 53.4442 44.0933 177.3799 28 S 4.6453 8.4476 116.0747 56.8047 66.4554 175.4772 29 F 4.1303 8.3446 121.3764 60.5220 38.6385 177.6366 30 A 4.0738 8.1874 120.2811 55.3870 18.0086 179.4410 31 E 3.9662 8.0514 114.4792 59.4309 29.7727 179.0018 32 I 3.8255 7.5714 119.9213 64.2714 37.5103 177.9531 33 A 4.2401 8.2216 121.5851 53.6328 18.1475 177.3384 34 D 4.5069 7.6544 117.4446 56.1041 41.4891 176.4628 35 G 4.0794 9.0992 115.2773 45.5980 0.0000 174.1863 36 T 4.0172 7.7623 108.7072 62.1227 69.2504 176.1840 37 G 3.9198 8.2713 108.9853 45.5421 0.0000 172.9488 38 L 4.7005 7.6700 118.6060 52.1977 44.4428 176.9305 39 A 4.1815 8.2486 123.0145 51.8888 20.2587 178.3943 40 E 3.9136 8.9410 123.1273 59.6022 29.6881 179.4585 41 A 3.9254 7.9667 120.1177 54.9424 18.5083 179.2662 42 F 3.8943 8.1426 118.6314 61.4402 39.7088 177.3298 43 V 3.6201 8.0554 117.8575 66.3178 31.3177 178.0347 44 T 3.7788 8.1957 115.4302 66.6217 68.2740 176.3148 45 A 3.8277 7.8550 122.3160 55.0379 18.2412 179.5539 46 A 4.0925 7.6046 120.3410 54.8348 18.2554 179.6286 47 L 3.9534 7.6816 116.1151 57.8454 41.7809 178.9279 48 L 4.4962 7.5301 115.8529 54.3635 41.6942 177.4508 49 G 3.8922 8.1222 107.1250 45.7579 0.0000 174.4077 50 Q 4.5100 8.2480 116.3909 55.4536 29.9845 175.1894 51 Q 4.4183 7.3771 115.8712 54.2009 32.9758 172.7630 52 A 4.8218 8.3014 121.0850 50.7041 20.6463 176.8051 53 L 4.5698 8.6735 122.8241 53.2671 43.4283 175.1872 54 P 4.6196 0.0000 0.0000 62.5910 32.3947 177.1681 55 A 3.9906 8.8892 123.4342 55.7540 18.1942 179.9857 56 D 4.2775 8.0997 116.4252 57.4888 40.9003 178.7277 57 A 4.0009 8.0288 120.5634 54.9604 18.4330 179.3145 58 A 3.9484 8.1975 119.3014 55.5270 18.4393 180.0719 59 R 3.9195 8.2796 116.8590 59.1602 30.2058 179.0964 60 L 3.9291 8.1077 120.0902 58.4633 42.2363 179.5828 61 V 3.7924 8.2405 112.8030 64.1230 31.3935 178.7607 62 G 3.6484 8.6356 105.9169 47.7527 0.0000 175.5183 63 A 3.9910 8.2402 123.4189 54.9828 18.2264 179.9717 64 K 3.9646 7.8613 115.3361 58.6777 32.1678 178.5782 65 L 4.4618 7.6315 116.1534 53.1823 42.6750 175.8181 66 D 4.3907 7.6498 117.7684 55.2257 38.8683 173.9685 67 L 4.3262 8.2206 117.8259 54.0256 43.0164 177.8224 68 D 4.7039 8.2690 121.8119 52.8334 41.9078 177.3425 69 E 3.9858 8.5454 118.4859 59.5798 29.3007 179.2870 70 D 4.3720 8.0470 118.5568 57.4105 40.9263 178.8608 71 S 4.1213 8.8010 116.0950 61.6688 62.6271 176.7415 72 I 3.7284 7.6758 121.4303 64.2442 37.1161 177.9996 73 L 4.2616 8.1402 121.2281 58.1483 41.9850 178.8375 74 L 4.0100 8.2414 119.3022 57.9545 41.5290 179.5202 75 L 4.0723 8.0694 118.5627 57.4009 41.2948 178.7792 76 Q 4.7578 7.6860 117.3004 55.5942 29.4138 175.9583 77 M 4.5017 7.3048 120.3495 54.8257 33.0963 176.4411 78 I 3.9863 8.8431 124.7522 60.8489 38.0670 174.2683 79 P 4.6859 0.0000 0.0000 62.3041 32.7840 176.2872 80 L 4.3239 8.3139 123.3457 54.1899 41.5567 176.5083 81 R 4.1772 8.3773 125.0740 55.6175 30.9756 175.1159 82 G 3.0177 8.1863 107.2433 44.9396 0.0000 173.3244 83 C 4.3127 8.1278 122.4357 58.5271 30.7176 174.3363 84 I 4.0254 7.5241 122.0838 60.4422 37.4913 174.7854 85 D 4.4703 8.9128 125.7629 57.0460 41.5029 176.5069 86 D 4.6315 7.2224 115.2105 53.0233 41.3479 173.8271 87 R 4.2023 8.1848 127.0081 56.5659 29.1326 176.9386 88 I 3.9643 7.1786 116.6568 58.2905 38.7205 173.9970 89 P 4.3920 0.0000 0.0000 63.0353 31.7950 176.5204 90 T 4.1656 8.3654 111.6415 63.6367 69.9313 175.6685 91 D 4.4554 7.9759 122.0874 53.3152 42.6190 174.6018 92 P 4.3759 0.0000 0.0000 66.1895 31.1986 178.8090 93 T 3.9546 7.9940 112.7677 67.0727 68.6162 176.1951 94 M 4.4524 8.2407 120.3502 58.5624 32.0319 178.0846 95 Y 4.0028 8.7609 120.0856 60.8998 38.9301 178.1862 96 Q 4.0929 8.2033 118.6882 59.0411 28.2437 179.0621 97 F 4.0352 7.8037 118.7278 60.5437 38.8949 176.9805 98 Y 3.9726 7.9540 118.7158 60.6983 38.4942 177.6519 99 E 3.6817 8.2831 120.4346 59.4099 29.6484 178.5266 100 M 4.1069 7.9940 118.7810 58.5200 31.8920 178.7678 101 L 4.0268 7.4248 118.3207 57.7363 41.5778 179.4458 102 Q 3.7638 7.5158 117.2729 58.5965 28.6145 178.6789 103 V 3.6244 7.8467 118.7371 65.1876 32.0583 176.8374 104 Y 4.6614 8.2140 114.1074 57.2959 38.6295 177.6028 105 G 3.7862 8.2156 109.1176 48.3750 0.0000 176.0032 106 T 4.0176 7.8314 111.8045 64.4513 68.9068 176.8209 107 T 3.8895 7.8835 118.1751 66.4524 68.5185 176.2069 108 L 3.9943 8.3908 121.3252 57.7229 41.6134 179.3984 109 K 3.7672 8.0847 119.0592 59.5084 32.1946 178.3911 110 A 4.0263 8.2620 121.1261 55.5041 18.2716 179.6485 111 L 4.0680 8.3833 117.5963 57.4156 41.6394 179.7873 112 V 3.7836 8.0516 118.6765 66.5529 30.9646 177.8659 113 H 5.0350 8.2551 117.2941 58.3568 28.2610 177.5512 114 E 3.9593 8.1320 120.3959 59.3019 29.6278 178.7023 115 K 3.9640 8.3092 117.6278 58.0437 32.1708 177.4329 116 F 4.0729 8.9308 115.3341 59.8896 41.0096 175.1886 117 G 4.0088 6.9452 103.8912 44.5124 0.0000 172.0286 118 D 4.6912 8.5881 119.5031 54.6703 42.3714 175.4255 119 G 4.0457 8.0725 111.3244 45.1863 0.0000 172.5150 120 I 4.7930 8.4599 114.7442 59.2351 41.7609 174.7822 121 I 4.6007 8.1423 123.9937 60.2261 37.9833 175.6199 122 S 4.3232 9.0931 123.4095 58.0737 62.6622 173.8697 123 A 3.5791 8.6010 128.4115 52.5980 18.8200 177.4694 124 I 4.2129 7.5272 116.1167 63.2467 38.6566 177.2032 125 N 4.7969 7.7500 122.7474 52.3918 37.4142 171.8908 126 F 5.4810 8.0065 122.4688 56.5198 42.8739 172.5223 127 K 4.5520 8.2040 123.7929 55.1620 36.3794 174.6725 128 L 5.6542 8.1699 119.7357 53.8518 43.9790 174.5955 129 D 4.7640 8.3180 117.3056 52.1943 43.0328 173.8723 130 V 4.8825 8.3158 119.2714 61.1441 33.8976 174.7201 131 K 4.7207 8.9951 126.7744 54.4128 35.8316 174.9106 132 K 4.9218 8.6371 125.0490 55.4426 33.5028 176.0140 133 V 4.6283 8.8190 120.0399 59.0739 35.7226 174.9593 134 A 4.3079 8.6777 126.5631 52.0744 19.2990 176.4452 135 D 4.5544 9.0304 122.8064 52.6194 41.9813 175.4896 136 P 4.2529 0.0000 0.0000 65.7792 31.4278 176.9128 137 E 4.2181 8.5515 115.3252 56.1278 29.5933 176.9364 138 G 3.9686 8.1662 107.8601 46.2627 0.0000 175.7673 139 G 3.8347 8.9939 108.8713 44.1537 0.0000 171.7003 140 E 5.2105 8.4039 116.9471 54.6744 33.4903 175.5728 141 R 4.8154 9.3759 120.2572 54.3985 34.3376 174.2680 142 A 5.0212 8.5545 123.1157 50.5655 20.9177 176.5776 143 V 4.1961 8.9824 123.7404 61.4397 33.3787 174.4431 144 I 4.8729 8.3946 129.3803 60.0188 39.0891 175.3574 145 T 4.4743 8.6337 124.7459 61.9523 70.2528 173.7435 146 L 4.7140 8.5190 127.2655 53.5182 43.2152 175.9014 147 D 4.6979 8.7282 124.1258 52.3314 43.4561 174.3064 148 G 4.6592 8.5067 112.0511 43.8310 0.0000 170.7131 149 K 4.3282 8.8863 124.9770 56.2434 33.6028 175.1882 150 Y 4.8218 8.6775 128.2831 57.3312 40.2485 173.6751 151 L 4.5471 8.6689 127.7691 52.0113 43.9181 174.3035 152 P 4.5177 0.0000 0.0000 62.8142 32.6086 175.9773 153 T 4.4885 8.8019 119.6733 62.4106 69.6888 174.2047 154 K 4.7495 8.5032 125.5387 53.4394 35.3632 174.5668 155 P 4.4280 0.0000 0.0000 62.8904 31.9646 176.5813 156 F 4.5408 7.8470 114.4605 57.1568 37.9900 174.6202 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 1 M 8.30 4.39 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 I 8.37 3.64 1.88 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 1.42 1.05 0.91 0.00 0.00 3 Q 8.34 4.86 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.27 0.00 4 S 8.59 5.15 0.00 3.81 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 5 Q 8.87 4.81 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 6 I 8.40 4.40 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 1.30 0.66 0.91 0.00 0.00 7 N 7.84 4.85 0.00 2.76 2.68 0.00 0.00 6.94 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 8 R 8.58 3.97 0.00 2.06 2.29 0.00 3.11 0.00 0.00 3.32 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 9 N 8.76 4.40 0.00 2.85 2.91 0.00 0.00 6.84 8.03 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 10 I 7.46 3.68 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 1.52 1.39 0.91 0.00 0.00 11 R 7.90 4.03 0.00 1.80 1.96 0.00 3.28 0.00 0.00 3.45 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 12 L 8.08 4.01 0.00 1.70 1.70 0.91 0.78 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 13 D 8.37 4.36 0.00 2.93 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 14 L 7.92 3.92 0.00 1.79 1.84 0.92 0.87 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 15 A 8.12 4.12 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 16 D 8.12 4.30 0.00 2.89 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 17 A 7.94 4.00 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 18 I 7.96 3.65 2.06 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 1.53 0.69 0.95 0.00 0.00 19 L 8.25 4.10 0.00 1.86 1.75 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.07 3.92 0.00 1.77 1.81 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.14 4.03 0.00 3.92 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 22 K 8.39 3.72 0.00 1.77 1.93 0.00 1.16 0.00 0.00 1.23 0.00 0.00 2.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.24 7.81 23 A 8.07 3.96 1.37 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 24 K 8.04 3.96 0.00 1.90 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.62 7.81 25 K 8.15 4.18 0.00 1.68 1.81 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.53 7.81 26 D 7.58 4.28 0.00 2.74 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.74 4.76 0.00 1.68 1.43 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.45 4.65 0.00 4.03 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 29 F 8.34 4.13 0.00 3.21 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 30 A 8.19 4.07 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 31 E 8.05 3.97 0.00 2.15 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 2.54 2.32 0.00 32 I 7.57 3.83 2.03 0.00 0.00 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 1.42 0.54 0.95 0.00 0.00 33 A 8.22 4.24 1.45 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 34 D 7.65 4.51 0.00 2.78 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 35 G 9.10 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 36 T 7.76 4.02 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 1.31 0.00 0.00 37 G 8.27 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 38 L 7.67 4.70 0.00 1.72 1.66 1.07 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.25 4.18 1.30 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 40 E 8.94 3.91 0.00 2.08 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 2.44 2.48 0.00 41 A 7.97 3.93 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 42 F 8.14 3.89 0.00 3.20 3.25 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 43 V 8.06 3.62 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 1.05 0.00 0.00 1.11 0.00 0.00 44 T 8.20 3.78 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 0.40 0.00 0.00 45 A 7.86 3.83 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 46 A 7.60 4.09 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 47 L 7.68 3.95 0.00 1.89 1.87 1.15 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.53 4.50 0.00 1.67 1.63 0.74 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.12 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 50 Q 8.25 4.51 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.36 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 51 Q 7.38 4.42 0.00 1.44 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.92 0.00 0.00 0.00 0.00 0.00 2.05 1.53 0.00 52 A 8.30 4.82 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 53 L 8.67 4.57 0.00 1.66 1.66 0.95 0.88 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 54 P 0.00 4.62 0.00 2.10 1.99 0.00 3.72 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 55 A 8.89 3.99 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 56 D 8.10 4.28 0.00 2.71 2.74 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 57 A 8.03 4.00 1.37 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 58 A 8.20 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 59 R 8.28 3.92 0.00 1.99 2.00 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 60 L 8.11 3.93 0.00 2.00 1.84 0.93 0.90 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 61 V 8.24 3.79 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 0.85 0.00 0.00 1.02 0.00 0.00 62 G 8.64 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 63 A 8.24 3.99 1.39 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 0.00 0.00 64 K 7.86 3.96 0.00 1.93 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.66 7.81 65 L 7.63 4.46 0.00 1.72 1.67 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.65 4.39 0.00 2.76 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 67 L 8.22 4.33 0.00 1.59 1.59 0.93 1.10 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 68 D 8.27 4.70 0.00 2.95 2.82 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 69 E 8.55 3.99 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 2.34 0.00 70 D 8.05 4.37 0.00 2.72 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 71 S 8.80 4.12 0.00 4.03 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 72 I 7.68 3.73 1.99 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 1.41 0.55 0.97 0.00 0.00 73 L 8.14 4.26 0.00 1.86 1.83 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.24 4.01 0.00 1.87 1.71 0.92 0.72 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 75 L 8.07 4.07 0.00 1.89 1.73 0.93 1.03 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 76 Q 7.69 4.76 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.87 0.00 0.00 0.00 0.00 0.00 2.55 2.37 0.00 77 M 7.30 4.50 0.00 1.92 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.52 0.00 78 I 8.84 3.99 1.88 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 1.30 0.92 0.92 0.00 0.00 79 P 0.00 4.69 0.00 2.11 2.04 0.00 3.75 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 1.95 2.13 0.00 80 L 8.31 4.32 0.00 1.67 1.65 0.91 0.93 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 81 R 8.38 4.18 0.00 1.82 1.89 0.00 3.24 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 82 G 8.19 3.02 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 83 C 8.13 4.31 0.00 3.05 3.02 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 84 I 7.52 4.03 1.85 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 1.29 0.53 0.92 0.00 0.00 85 D 8.91 4.47 0.00 2.62 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 86 D 7.22 4.63 0.00 2.59 2.47 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 87 R 8.18 4.20 0.00 1.98 2.05 0.00 3.22 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 88 I 7.18 3.96 1.75 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 1.30 0.72 0.62 0.00 0.00 89 P 0.00 4.39 0.00 2.17 2.04 0.00 3.30 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 90 T 8.37 4.17 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 91 D 7.98 4.46 0.00 2.85 2.65 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 92 P 0.00 4.38 0.00 2.23 2.13 0.00 3.69 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 93 T 7.99 3.95 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 1.35 0.00 0.00 94 M 8.24 4.45 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.59 0.00 95 Y 8.76 4.00 0.00 3.18 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 96 Q 8.20 4.09 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 97 F 7.80 4.04 0.00 3.32 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 98 Y 7.95 3.97 0.00 2.92 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.28 3.68 0.00 1.95 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 2.30 2.37 0.00 100 M 7.99 4.11 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.57 0.00 101 L 7.42 4.03 0.00 1.56 1.55 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.52 3.76 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.95 0.00 0.00 0.00 0.00 0.00 1.66 2.36 0.00 103 V 7.85 3.62 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 0.19 0.00 0.00 0.89 0.00 0.00 104 Y 8.21 4.66 0.00 3.23 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 0.00 105 G 8.22 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 0.00 0.00 0.00 106 T 7.83 4.02 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 107 T 7.88 3.89 4.61 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 108 L 8.39 3.99 0.00 1.85 1.73 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.08 3.77 0.00 1.83 2.00 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.45 7.81 110 A 8.26 4.03 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 0.00 111 L 8.38 4.07 0.00 1.71 1.76 0.95 0.70 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 0.00 112 V 8.05 3.78 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.92 0.00 0.00 113 H 8.26 5.03 0.00 3.25 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.13 3.96 0.00 2.09 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 2.30 2.34 0.00 115 K 8.31 3.96 0.00 1.72 1.28 0.00 1.74 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.50 7.81 116 F 8.93 4.07 0.00 2.46 1.45 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 0.00 117 G 6.95 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 0.00 118 D 8.59 4.69 0.00 2.76 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 0.00 119 G 8.07 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 0.00 0.00 0.00 120 I 8.46 4.79 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.27 0.92 0.00 0.00 121 I 8.14 4.60 1.80 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.60 0.93 0.00 0.00 122 S 9.09 4.32 0.00 3.87 3.80 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 0.00 123 A 8.60 3.58 0.94 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 0.00 124 I 7.53 4.21 1.87 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 1.15 0.91 0.93 0.00 0.00 125 N 7.75 4.80 0.00 2.80 2.75 0.00 0.00 6.45 7.71 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 0.00 126 F 8.01 5.48 0.00 3.15 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 0.00 127 K 8.20 4.55 0.00 1.63 1.67 0.00 1.23 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.11 1.15 7.81 128 L 8.17 5.65 0.00 1.69 1.33 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.32 4.76 0.00 2.66 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 0.00 130 V 8.32 4.88 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 0.88 0.00 0.00 0.90 0.00 0.00 131 K 9.00 4.72 0.00 1.68 1.64 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.48 7.81 132 K 8.64 4.92 0.00 1.78 1.72 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.47 7.81 133 V 8.82 4.63 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 0.72 0.00 0.00 0.98 0.00 0.00 134 A 8.68 4.31 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 0.00 135 D 9.03 4.55 0.00 2.70 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 0.00 136 P 0.00 4.25 0.00 2.08 2.12 0.00 3.72 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 2.03 2.13 0.00 137 E 8.55 4.22 0.00 2.10 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 2.33 2.25 0.00 138 G 8.17 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 0.00 139 G 8.99 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 0.00 140 E 8.40 5.21 0.00 1.82 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 0.00 2.21 2.31 0.00 141 R 9.38 4.82 0.00 1.68 1.78 0.00 3.22 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 142 A 8.55 5.02 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 V 8.98 4.20 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 0.97 0.00 0.00 0.94 0.00 0.00 144 I 8.39 4.87 2.00 0.00 0.00 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 1.41 0.83 0.94 0.00 0.00 145 T 8.63 4.47 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 1.18 0.00 0.00 146 L 8.52 4.71 0.00 1.64 1.94 1.01 1.19 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 0.00 147 D 8.73 4.70 0.00 2.60 2.42 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 0.00 148 G 8.51 4.66 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 0.00 149 K 8.89 4.33 0.00 1.94 1.71 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.46 7.81 150 Y 8.68 4.82 0.00 2.77 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 0.00 151 L 8.67 4.55 0.00 1.45 1.41 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.52 0.00 2.01 1.82 0.00 3.47 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.84 0.00 153 T 8.80 4.49 4.39 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 1.31 0.00 0.00 154 K 8.50 4.75 0.00 1.75 1.73 0.00 1.76 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 1.36 1.44 7.81 155 P 0.00 4.43 0.00 2.03 1.94 0.00 3.65 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 2.03 2.08 0.00 156 F 7.85 4.54 0.00 3.08 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