NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.4552 8.3601 120.3188 53.1950 40.9040 177.2766 9 A 3.7188 8.3318 123.2040 54.2153 18.1451 177.5084 10 N 4.7431 8.0781 113.8344 53.9922 40.6313 172.9984 11 A 4.9198 7.7014 121.3989 50.6358 20.8161 176.5618 12 S 4.7356 8.2241 113.9114 57.4796 65.7552 173.8850 13 I 5.2695 8.4207 118.6337 59.4168 40.9335 173.7907 14 S 4.4904 8.9582 117.0692 56.5007 67.0005 172.5807 15 V 4.8264 6.4240 119.4272 60.9949 33.8205 174.6127 16 S 5.2259 8.8686 121.5619 56.9657 66.5843 172.1372 17 Y 5.4492 9.2037 120.7213 56.0180 42.6351 173.5027 18 K 4.1606 8.2594 126.8051 53.9279 35.2278 174.8141 19 C 4.0013 7.7797 128.4612 59.7666 32.0740 173.6694 20 G 3.8181 8.0298 113.8509 45.2612 0.0000 172.4710 21 V 3.5959 8.5292 118.3864 65.9145 31.6726 176.5651 22 K 4.4930 7.9616 117.2687 55.2321 31.2442 178.5867 23 D 4.2227 7.9014 115.3055 54.4399 39.3389 177.5811 24 G 4.0705 8.4399 117.9374 45.1328 0.0000 171.9161 25 T 4.0871 7.9964 113.2027 61.9281 67.8325 175.9176 26 K 4.1110 8.1840 119.3031 57.0156 30.1055 176.2165 27 N 5.0136 7.8700 115.6974 52.7536 38.7224 174.0667 28 T 5.2245 7.8110 115.3117 62.2885 71.9949 173.2047 29 I 4.1519 8.7075 127.8465 60.2590 38.9885 174.9238 30 R 4.8681 8.3874 125.1791 54.2752 33.1907 174.6946 31 A 4.7631 7.6981 123.7184 50.7654 23.5376 174.7221 32 T 5.2323 8.5457 115.3708 61.7480 72.3198 173.6593 33 I 5.4266 8.8809 118.3135 59.2596 41.8343 173.7969 34 N 5.4625 9.2886 120.6481 52.1347 42.2745 172.7568 35 I 4.9161 8.6460 127.0906 59.5901 39.6007 174.5850 36 K 4.9490 9.0557 128.0943 54.4923 35.8063 174.4492 37 N 4.9734 9.2752 126.7163 53.0145 39.5001 174.7737 38 T 4.3242 8.5564 116.2746 61.6930 69.6706 175.3614 39 G 4.1713 8.0175 112.9634 45.1239 0.0000 174.2305 40 T 4.5546 7.9976 111.7210 61.3369 69.4192 173.9516 41 T 4.7015 7.3819 110.9725 59.2040 71.8149 171.8469 42 P 4.7026 0.0000 0.0000 62.7528 32.4985 175.8415 43 V 4.4586 8.3888 121.6468 61.0137 35.0295 174.3447 44 N 4.7011 8.7138 125.1226 52.9157 39.1194 176.0672 45 L 3.7500 8.7166 124.6205 57.8605 41.8830 179.6701 46 S 4.5030 7.8280 110.7104 60.0158 63.2706 174.4171 47 D 4.6464 8.3258 120.6281 54.8320 41.0446 175.2881 48 I 5.1001 7.8290 121.2937 59.6280 38.9201 175.3483 49 K 4.9877 9.0052 125.3682 54.5943 36.0548 175.2808 50 V 5.1573 8.7436 122.4347 61.2801 35.1193 174.3524 51 R 5.1946 9.6469 125.9770 54.5281 33.6552 173.7437 52 Y 5.1114 9.0552 124.9869 55.7745 41.2696 174.0704 53 W 5.5460 8.9761 127.4647 55.2928 31.8598 175.2752 54 F 5.3364 9.0499 118.3700 56.7297 41.3831 172.3483 55 T 5.4891 9.4118 109.7839 59.4656 70.1029 175.0780 56 S 4.9190 9.0629 117.8691 58.1214 64.2650 173.4334 57 D 4.4370 9.1708 119.9945 55.7223 37.8558 174.5650 58 G 3.9774 8.3965 105.5031 45.3712 0.0000 173.6471 59 N 4.4882 7.9694 118.2936 53.3398 39.1078 174.8751 60 E 4.2051 9.0013 123.4759 58.3325 30.2208 176.6330 61 Q 4.6534 7.9290 115.1075 54.1610 30.4364 174.1509 62 N 5.3166 8.8315 119.2311 51.5863 41.5469 173.2637 63 N 5.0392 9.4283 122.1907 51.4590 41.0244 174.0245 64 F 4.9256 8.8913 126.3105 57.7234 40.8078 174.7269 65 V 4.1754 8.0225 125.3363 61.0784 34.7887 173.3461 66 C 4.6585 8.4020 127.9863 58.2878 31.9433 173.0182 67 D 4.6156 9.2720 127.3659 57.3360 41.2768 176.2906 68 Y 4.7636 7.8052 115.8212 56.9537 42.2538 173.2741 69 A 4.0284 7.2190 126.3823 50.0746 22.2882 177.1017 70 A 3.6337 7.7368 124.2127 54.6526 18.5054 178.6877 71 F 4.5576 6.0908 107.5976 56.0057 38.8298 175.2004 72 G 4.0707 7.3515 112.2925 44.7998 0.0000 175.6473 73 T 3.9682 8.7130 114.8858 64.3024 68.9468 175.5191 74 D 4.6397 8.2125 119.7092 54.7367 39.4417 176.5431 75 K 4.5587 8.3501 118.3975 55.3740 33.2469 175.0873 76 V 4.7368 7.7029 120.0337 61.1479 32.9367 174.9055 77 K 4.5750 8.9983 128.1039 54.7689 34.5136 175.8262 78 G 3.0125 8.0879 109.5251 43.9414 0.0000 171.5669 79 I 4.6538 8.3995 123.5846 58.8300 41.7926 173.8736 80 V 4.7273 8.3549 127.9157 61.0742 33.4412 174.7071 81 K 4.5643 8.4920 126.7969 54.0586 35.9309 176.0074 82 K 4.4748 8.5720 122.5721 56.6461 33.0044 176.2723 83 I 4.4204 8.5153 125.0288 59.9225 37.9624 175.7749 84 E 4.0561 9.1419 128.3500 58.8639 29.9599 177.0141 85 N 4.7884 7.7406 117.1168 51.6585 37.4338 174.4772 86 S 4.5653 7.8056 115.5783 57.6888 64.7934 174.5038 87 V 4.5332 8.1217 113.5916 58.4106 35.2858 173.6376 88 P 4.4087 0.0000 0.0000 64.4696 31.6113 177.2799 89 G 4.2818 10.5369 110.6006 44.8068 0.0000 172.8573 90 A 4.8801 8.3697 123.3455 51.5643 20.5369 175.5859 91 D 5.0789 8.6454 120.2385 54.2573 41.4560 175.7952 92 T 5.0934 8.0726 116.1001 62.1959 73.3240 172.3899 93 Y 5.2654 8.8529 121.8629 55.4870 42.1031 173.3935 94 C 4.9430 9.5642 122.2982 58.0327 33.6067 171.7276 95 E 4.9259 9.1077 128.3470 54.7082 31.2291 174.3041 96 I 4.4429 8.5390 128.6572 59.5519 39.9825 175.0997 97 S 4.6487 8.2311 120.1075 57.2144 66.7109 172.4445 98 F 5.4388 8.2780 116.7983 55.7977 43.0700 175.1953 99 T 4.1534 8.6476 112.3172 61.0274 69.8710 175.3324 100 E 3.9851 8.9797 122.2742 59.4272 29.5231 178.0377 101 D 4.7204 7.9060 114.8570 52.8846 39.7400 177.1583 102 A 3.7189 7.8239 124.8528 54.0245 18.8881 177.5416 103 G 3.7432 8.4345 100.7238 43.7971 0.0000 172.0485 104 R 4.9734 7.9488 113.9338 54.5249 33.4176 174.4227 105 L 4.7026 8.7151 119.7902 52.8275 43.9444 176.6746 106 A 4.5179 8.5041 125.6777 50.4499 20.1636 174.7389 107 P 4.4306 0.0000 0.0000 64.2277 31.7284 177.6971 108 G 3.8930 8.6821 109.4446 45.7785 0.0000 173.9799 109 G 4.0444 8.0087 109.6604 44.4481 0.0000 173.3440 110 S 5.0585 8.0153 114.6067 56.4176 66.0814 174.4445 111 T 3.9331 8.4569 112.4132 62.6411 68.8980 175.8661 112 G 3.8055 8.1410 110.0732 44.0292 0.0000 172.4023 113 T 4.0806 8.3456 108.6556 62.6208 69.2152 174.4791 114 I 4.9460 9.2360 126.7476 57.7581 38.7618 172.3201 115 P 5.1869 0.0000 0.0000 62.1258 33.4264 175.1792 116 F 5.2910 8.9179 116.3940 55.5298 42.0894 173.2615 117 R 4.9308 9.0022 117.5667 54.3812 34.3705 174.5877 118 I 4.9652 8.7558 122.9800 59.6464 40.3145 174.2576 119 E 5.1830 9.5482 127.1968 54.6248 32.2392 175.5517 120 G 4.3670 9.1802 110.6555 44.3529 0.0000 172.4642 121 A 4.2153 8.7860 121.1605 53.5187 19.1168 177.6528 122 A 4.5571 8.1865 117.4616 49.7688 21.1869 175.9970 123 E 4.0575 8.4582 120.4697 57.2340 29.8989 176.1535 124 Y 4.7028 8.4831 124.9900 57.7210 39.2600 175.0197 125 D 4.7668 9.7064 124.2325 53.0099 41.5077 176.2256 126 Q 4.5574 8.7968 125.1548 56.8553 29.2834 178.7503 127 T 3.9797 7.8906 108.5699 64.0251 69.1133 174.9527 128 D 4.6866 7.9777 119.9321 53.5545 40.5424 175.9507 129 D 4.9199 7.8743 121.0666 55.0331 41.4545 176.2912 130 Y 4.1277 8.9061 126.2422 61.0565 38.6347 177.7776 131 S 4.1825 7.8092 111.8545 58.8628 63.3340 173.8406 132 Y 4.3937 7.5872 123.2901 57.3074 39.0418 174.6447 133 N 4.6292 8.4754 124.9008 51.3922 39.8834 174.6000 134 S 3.8734 7.9619 120.1339 60.4378 63.4346 175.7667 135 E 4.0825 8.0343 119.2570 58.2679 29.8815 176.9826 136 M 4.5656 7.8737 120.6949 54.6583 31.8746 177.5207 137 S 4.2449 7.7250 114.6170 59.8590 64.3427 175.8127 138 D 4.5089 7.9050 118.6241 55.6757 41.4094 175.1352 139 D 4.8339 7.3643 115.8026 52.4136 45.0529 174.6165 140 F 4.2976 9.0190 119.7819 57.3567 39.8375 175.3124 141 G 4.2311 9.2934 109.6650 44.7993 0.0000 171.4575 142 D 5.1812 8.7652 119.8012 53.0375 40.0030 173.9827 143 N 4.6618 8.5574 120.8146 51.9689 38.4603 174.7398 144 T 4.2029 8.2021 114.0582 61.8174 69.0979 176.1191 145 K 4.1885 8.0174 120.3749 56.6893 32.3905 176.0724 146 I 5.0406 7.6298 121.4417 59.9174 39.5796 174.9098 147 T 5.2223 9.1640 115.6942 60.2285 72.1771 172.8224 148 A 5.2831 8.6219 122.8893 50.9377 23.3311 174.8002 149 Y 5.2451 9.0672 116.6773 56.3278 42.8175 174.4315 150 I 4.8598 8.5326 123.1967 60.0253 40.0922 176.2663 151 K 3.8191 9.8192 128.0014 57.7583 30.1460 175.4218 152 D 4.5647 8.3622 113.7344 54.5617 38.7583 174.1601 153 K 4.6105 8.0938 120.3994 54.1321 33.5113 175.8015 154 L 4.0113 8.7692 126.1158 55.3515 42.3605 176.5023 155 K 4.6099 8.7803 123.6827 56.0892 34.5686 175.8066 156 Y 4.4387 7.6494 119.2584 57.3404 41.6281 174.8512 157 G 3.7970 8.0619 112.8953 45.7103 0.0000 171.9200 158 V 4.2475 8.0838 118.0050 60.5340 33.4706 175.4925 159 E 3.5073 8.5018 126.3893 55.9829 30.0287 176.9760 160 A 2.8705 5.8000 124.2189 54.0532 18.6713 178.0100 161 A 4.3789 6.1147 115.3552 50.2335 22.1578 175.6022 162 A 3.9872 8.3114 124.5900 53.0336 19.1347 177.9149 163 L 4.0104 8.5830 121.6351 55.2715 41.4985 174.5173 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 8 D 8.36 4.46 0.00 2.81 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 9 A 8.33 3.72 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.08 4.74 0.00 2.96 2.86 0.00 0.00 6.63 8.01 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 11 A 7.70 4.92 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 12 S 8.22 4.74 0.00 3.89 3.66 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 13 I 8.42 5.27 1.86 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.87 0.92 0.00 0.00 14 S 8.96 4.49 0.00 3.58 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 15 V 6.42 4.83 1.76 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 1.03 0.00 0.00 0.85 0.00 0.00 16 S 8.87 5.23 0.00 4.24 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 17 Y 9.20 5.45 0.00 3.20 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 18 K 8.26 4.16 0.00 0.79 0.74 0.00 0.76 0.00 0.00 1.08 0.00 0.00 2.60 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.84 0.83 7.81 19 C 7.78 4.00 0.00 2.86 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 20 G 8.03 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 21 V 8.53 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 0.85 0.00 0.00 0.87 0.00 0.00 22 K 7.96 4.49 0.00 1.89 2.23 0.00 1.98 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.63 7.81 23 D 7.90 4.22 0.00 2.79 1.75 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 24 G 8.44 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 0.00 0.00 0.00 25 T 8.00 4.09 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 1.32 0.00 0.00 26 K 8.18 4.11 0.00 2.05 2.01 0.00 1.78 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.42 7.81 27 N 7.87 5.01 0.00 2.92 2.93 0.00 0.00 5.98 7.22 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 28 T 7.81 5.22 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 1.23 0.00 0.00 29 I 8.71 4.15 1.44 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.18 nan 0.00 0.00 30 R 8.39 4.87 0.00 1.58 1.59 0.00 3.02 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 31 A 7.70 4.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.55 5.23 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 1.48 0.00 0.00 33 I 8.88 5.43 2.14 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.25 1.35 0.00 0.00 34 N 9.29 5.46 0.00 2.49 2.56 0.00 0.00 7.49 7.51 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 35 I 8.65 4.92 1.88 0.00 0.00 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 1.22 0.75 0.92 0.00 0.00 36 K 9.06 4.95 0.00 1.71 1.55 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.48 7.81 37 N 9.28 4.97 0.00 2.75 2.81 0.00 0.00 6.69 6.96 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 38 T 8.56 4.32 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 1.22 0.00 0.00 39 G 8.02 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 0.00 0.00 0.00 0.00 40 T 8.00 4.55 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 1.21 0.00 0.00 41 T 7.38 4.70 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 1.21 0.00 0.00 42 P 0.00 4.70 0.00 1.94 2.00 0.00 3.61 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 2.01 2.07 0.00 43 V 8.39 4.46 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.93 0.00 0.00 44 N 8.71 4.70 0.00 2.85 2.69 0.00 0.00 7.13 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 45 L 8.72 3.75 0.00 1.45 1.16 0.08 -0.06 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 46 S 7.83 4.50 0.00 3.99 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 0.00 47 D 8.33 4.65 0.00 2.88 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 48 I 7.83 5.10 2.18 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 1.29 0.73 1.11 0.00 0.00 49 K 9.01 4.99 0.00 1.79 1.68 0.00 1.61 0.00 0.00 1.45 0.00 0.00 2.72 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.34 7.81 50 V 8.74 5.16 2.14 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 1.26 0.00 0.00 1.11 0.00 0.00 51 R 9.65 5.19 0.00 1.68 1.10 0.00 3.04 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 52 Y 9.06 5.11 0.00 3.27 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 53 W 8.98 5.55 0.00 3.45 3.05 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 54 F 9.05 5.34 0.00 3.63 3.28 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 55 T 9.41 5.49 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 1.36 0.00 0.00 56 S 9.06 4.92 0.00 4.37 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 9.17 4.44 0.00 2.95 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 58 G 8.40 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 59 N 7.97 4.49 0.00 3.07 2.95 0.00 0.00 6.95 7.52 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 60 E 9.00 4.21 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 61 Q 7.93 4.65 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 62 N 8.83 5.32 0.00 2.79 3.03 0.00 0.00 7.00 8.00 0.00 0.00 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 N 9.43 5.04 0.00 2.62 2.77 0.00 0.00 6.19 8.16 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 64 F 8.89 4.93 0.00 3.05 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 65 V 8.02 4.18 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.86 0.00 0.00 66 C 8.40 4.66 0.00 3.26 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 67 D 9.27 4.62 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 68 Y 7.81 4.76 0.00 3.03 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 69 A 7.22 4.03 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.74 3.63 1.17 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 0.00 0.00 0.00 71 F 6.09 4.56 0.00 3.09 3.18 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 72 G 7.35 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 0.00 0.00 0.00 73 T 8.71 3.97 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 1.24 0.00 0.00 74 D 8.21 4.64 0.00 2.85 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 75 K 8.35 4.56 0.00 2.24 1.96 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.50 1.95 7.81 76 V 7.70 4.74 2.28 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 0.85 0.00 0.00 1.34 0.00 0.00 77 K 9.00 4.57 0.00 1.45 1.52 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.31 7.81 78 G 8.09 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.40 4.65 1.73 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.90 0.74 0.00 0.00 80 V 8.35 4.73 2.13 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 1.06 0.00 0.00 1.10 0.00 0.00 81 K 8.49 4.56 0.00 0.79 1.37 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.74 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.10 0.91 7.81 82 K 8.57 4.47 0.00 1.61 1.73 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.40 7.81 83 I 8.52 4.42 2.04 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.77 1.02 0.00 0.00 84 E 9.14 4.06 0.00 1.95 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 2.34 0.00 85 N 7.74 4.79 0.00 2.74 2.74 0.00 0.00 6.93 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 7.81 4.57 0.00 4.12 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 87 V 8.12 4.53 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 0.74 0.00 0.00 0.82 0.00 0.00 88 P 0.00 4.41 0.00 2.06 2.03 0.00 3.67 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 2.04 2.10 0.00 89 G 10.54 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 0.00 0.00 0.00 0.00 90 A 8.37 4.88 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 91 D 8.65 5.08 0.00 2.76 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 92 T 8.07 5.09 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 0.95 0.00 0.00 93 Y 8.85 5.27 0.00 2.50 2.48 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 94 C 9.56 4.94 0.00 3.24 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 95 E 9.11 4.93 0.00 2.08 1.65 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 2.09 2.20 0.00 96 I 8.54 4.44 1.63 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.04 0.52 0.00 0.00 97 S 8.23 4.65 0.00 3.68 3.75 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 98 F 8.28 5.44 0.00 3.05 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 99 T 8.65 4.15 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 1.23 0.00 0.00 100 E 8.98 3.99 0.00 1.97 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 2.32 2.33 0.00 101 D 7.91 4.72 0.00 2.77 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 0.00 102 A 7.82 3.72 0.97 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 0.00 103 G 8.43 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 0.00 104 R 7.95 4.97 0.00 1.71 1.97 0.00 2.97 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.59 0.00 105 L 8.72 4.70 0.00 1.51 1.56 0.91 0.71 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 0.00 106 A 8.50 4.52 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 0.00 107 P 0.00 4.43 0.00 2.05 2.23 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 108 G 8.68 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 0.00 109 G 8.01 4.04 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 0.00 0.00 0.00 110 S 8.02 5.06 0.00 4.14 3.75 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 0.00 111 T 8.46 3.93 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 112 G 8.14 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.35 4.08 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 114 I 9.24 4.95 2.13 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.84 1.17 0.00 0.00 115 P 0.00 5.19 0.00 2.09 2.18 0.00 4.12 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.03 0.00 116 F 8.92 5.29 0.00 2.78 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 0.00 117 R 9.00 4.93 0.00 1.52 1.70 0.00 2.99 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.43 0.00 118 I 8.76 4.97 1.56 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.98 0.87 0.00 0.00 119 E 9.55 5.18 0.00 1.88 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 2.22 2.36 0.00 120 G 9.18 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.79 4.22 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 0.00 122 A 8.19 4.56 1.15 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 0.00 0.00 123 E 8.46 4.06 0.00 1.95 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 2.30 2.36 0.00 124 Y 8.48 4.70 0.00 2.94 2.83 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 0.00 125 D 9.71 4.77 0.00 2.68 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 0.00 126 Q 8.80 4.56 0.00 1.43 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.67 0.00 0.00 0.00 0.00 0.00 2.27 2.18 0.00 127 T 7.89 3.98 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 1.29 0.00 0.00 128 D 7.98 4.69 0.00 2.94 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 0.00 129 D 7.87 4.92 0.00 3.05 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 0.00 130 Y 8.91 4.13 0.00 3.03 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 0.00 131 S 7.81 4.18 0.00 2.72 3.36 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 0.00 132 Y 7.59 4.39 0.00 2.95 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 0.00 133 N 8.48 4.63 0.00 2.60 2.73 0.00 0.00 6.56 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 0.00 134 S 7.96 3.87 0.00 3.99 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 0.00 135 E 8.03 4.08 0.00 2.16 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 2.32 2.41 0.00 136 M 7.87 4.57 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 137 S 7.72 4.24 0.00 3.78 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 0.00 138 D 7.90 4.51 0.00 2.62 2.68 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 0.00 0.00 0.00 139 D 7.36 4.83 0.00 2.63 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 F 9.02 4.30 0.00 2.98 3.05 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 0.00 141 G 9.29 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 0.00 0.00 0.00 0.00 142 D 8.77 5.18 0.00 2.79 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 0.00 143 N 8.56 4.66 0.00 2.82 2.71 0.00 0.00 6.83 7.22 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 0.00 144 T 8.20 4.20 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 0.98 0.00 0.00 145 K 8.02 4.19 0.00 1.58 1.08 0.00 1.25 0.00 0.00 0.65 0.00 0.00 2.74 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.97 1.09 7.81 146 I 7.63 5.04 2.23 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.24 1.25 0.00 0.00 147 T 9.16 5.22 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 1.34 0.00 0.00 148 A 8.62 5.28 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 0.00 149 Y 9.07 5.25 0.00 3.01 2.88 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 0.00 150 I 8.53 4.86 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.90 0.95 0.00 0.00 151 K 9.82 3.82 0.00 1.84 1.85 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.44 0.00 0.00 0.00 0.00 1.42 1.42 7.81 152 D 8.36 4.56 0.00 2.85 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 0.00 153 K 8.09 4.61 0.00 1.95 1.78 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.54 7.81 154 L 8.77 4.01 0.00 1.69 1.60 0.59 0.59 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 0.00 155 K 8.78 4.61 0.00 1.71 1.82 0.00 1.94 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.60 1.52 7.81 156 Y 7.65 4.44 0.00 3.17 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 0.00 157 G 8.06 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 0.00 0.00 0.00 158 V 8.08 4.25 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 0.77 0.00 0.00 0.82 0.00 0.00 159 E 8.50 3.51 0.00 1.73 1.43 0.00 0.00 0.00 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 2.30 0.00 160 A 5.80 2.87 -0.18 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 0.00 161 A 6.11 4.38 1.12 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 0.00 162 A 8.31 3.99 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 L 8.58 4.01 0.00 1.81 1.73 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00