NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 39 S 4.4046 8.1927 115.2905 57.7436 63.4550 175.7238 40 N 4.3704 9.1846 115.2513 55.4699 38.5776 174.6562 41 A 3.9920 8.1951 121.9377 55.1576 18.6359 178.8382 42 Q 3.8874 7.8417 116.8286 59.3463 29.3361 177.7884 43 E 4.1324 8.5263 119.0862 59.3182 29.5375 178.7545 44 Q 4.1276 8.4479 119.7652 58.7389 28.8899 180.8574 45 R 4.2766 7.8184 116.1313 56.6376 29.6971 178.3775 *47 S 4.4750 8.1117 116.0398 59.6346 64.5421 174.8990 48 H 4.1174 8.4461 119.6525 59.7056 29.3934 177.0379 49 H 4.1844 8.1614 117.9260 58.9952 28.4982 177.4201 50 Y 3.9253 8.0234 117.9234 60.8302 37.6365 178.2883 51 A 4.0150 8.3410 121.9274 55.4793 18.4757 179.8389 52 T 3.7470 7.8337 114.2232 66.7600 68.4376 176.9263 53 I 3.6459 7.9618 122.0178 64.2972 37.1395 178.1527 54 E 3.8897 8.3462 120.0903 59.3306 29.5676 179.0482 55 V 3.8684 8.2390 120.1068 65.4932 31.5157 178.1555 56 S 4.0895 8.2265 114.1752 61.3601 62.8125 176.2415 57 Q 3.9130 8.3197 123.3631 58.9323 28.5563 178.2426 58 Q 3.9477 8.0973 119.0247 59.0413 28.7167 178.7908 59 L 3.6722 7.7905 119.8429 57.7100 41.5476 179.7920 60 R 3.9823 8.2251 118.1965 59.3850 29.9699 178.9146 61 Q 3.9920 8.2452 119.2949 59.2152 29.0848 178.2994 62 L 4.2971 8.2491 120.1959 57.5163 41.6435 179.1567 63 L 4.0816 8.6036 120.9451 58.1766 41.9843 179.3362 64 G 3.7397 8.2566 105.7173 47.8040 0.0000 175.1644 65 D 4.4595 8.5721 121.7190 57.5602 40.9191 179.1703 66 Q 4.0281 8.1172 118.1716 58.8035 28.7089 178.6103 67 L 3.9410 7.9885 121.3777 58.1115 41.9414 178.9778 68 V 3.6988 7.9905 117.2885 66.2590 31.5808 177.7222 69 I 3.8864 7.7782 119.2776 64.5412 36.7911 178.5208 70 L 4.1142 7.8405 118.1114 57.2501 41.5052 178.9248 71 L 4.2837 7.7969 117.6501 55.6280 41.9609 177.6142 72 R 4.2230 6.9761 117.6618 55.5037 30.7930 176.2316 73 E 4.0385 9.1578 121.5995 59.1594 29.5590 177.3915 74 T 4.4801 7.4523 115.3435 60.3138 69.4487 170.9168 75 P 4.2741 0.0000 0.0000 62.4963 32.0787 176.7198 76 D 4.6483 8.7180 122.4391 53.4047 41.4891 176.8882 77 G 3.6412 8.6522 115.4120 47.7852 0.0000 173.7894 78 Q 3.9408 8.1204 121.0898 59.0847 29.1468 178.3033 79 A 4.0148 8.3004 121.2723 54.9832 18.3705 179.2336 80 L 3.9351 8.1805 119.2290 58.2958 42.2013 179.0793 81 E 4.3451 8.3759 119.1444 58.9627 29.3915 179.3222 82 R 3.9288 8.0203 119.0879 59.1604 30.1356 178.9648 83 S 4.3182 8.2403 112.9909 61.4386 62.2391 176.1205 84 Q 4.6449 8.5039 122.6034 58.4864 28.4025 178.3829 85 N 4.4102 8.5040 118.1272 56.7238 39.0428 176.4601 86 D 4.3860 8.3548 120.4725 57.5023 40.9001 178.6995 87 F 3.8529 8.2821 120.8289 61.1753 39.3358 176.9530 88 R 4.0401 8.1918 118.2766 59.7117 29.9056 178.7077 89 R 3.9175 8.2003 117.8138 59.1767 30.0289 179.2836 90 V 3.4596 7.7696 118.0015 65.7455 31.4521 177.6646 91 L 3.7407 7.7505 120.2560 58.4230 41.9342 178.9630 92 E 3.9916 8.3138 118.3579 59.1658 29.4024 179.1573 93 Q 4.0420 8.2040 120.0796 58.8803 28.9371 178.2404 94 G 3.6278 8.1384 106.8516 48.1462 0.0000 175.6952 95 R 3.9239 8.0531 119.7672 58.8403 30.1543 178.7528 96 A 4.2011 7.9767 119.2377 53.9375 18.5477 178.3006 97 N 4.7548 7.6874 112.4810 52.2909 39.4814 174.2932 98 T 4.5268 7.1666 116.3543 60.3656 68.7291 174.4929 99 V 4.1287 8.1745 126.9675 62.2912 33.2801 176.3953 100 D 4.3132 7.9939 120.7073 54.5048 42.1505 176.6795 101 S 4.0989 8.7641 120.8546 61.2011 62.4283 176.0984 102 A 3.9513 8.3940 123.6773 55.1541 18.3210 179.1580 103 E 3.8722 8.4564 117.3683 59.3676 29.7503 178.2899 104 Q 3.9422 8.2295 119.4054 59.3637 29.0271 178.6667 105 A 3.9723 7.8103 120.6691 55.1185 18.4024 179.4226 106 A 3.9490 8.3488 119.6967 55.4539 18.4117 179.9386 107 L 3.9612 8.4733 117.8544 57.8862 41.6498 179.4272 108 D 4.4830 8.3319 119.1992 57.3716 40.7691 179.1075 109 G 3.6462 8.0826 106.2629 47.6386 0.0000 175.9832 110 V 3.7018 8.1032 120.7659 65.7368 31.5518 178.0507 111 R 4.0733 8.3052 118.5945 59.6527 30.0157 178.0433 112 D 4.3973 8.2356 118.3555 57.6279 40.8149 178.9260 113 A 4.0950 8.2023 121.0118 55.1427 18.4385 179.0936 114 Y 4.1163 8.5335 118.8196 60.8013 38.8463 177.9904 115 L 3.8134 8.1787 120.0739 57.8579 41.7851 179.5682 116 Q 3.9950 7.9961 117.5826 58.5100 28.3827 178.2213 117 L 3.9043 7.8374 120.8518 58.5182 42.4114 178.8935 118 Q 3.9458 7.7542 117.4936 58.7873 28.3360 178.5592 119 A 3.9693 7.8724 120.9661 54.7266 18.3697 178.4202 120 H 4.7958 7.5651 111.4128 54.7487 29.2901 174.9400 121 T 4.0284 7.0962 119.2342 62.6760 68.5140 173.0961 122 P 4.6118 0.0000 0.0000 61.1720 33.0133 175.8914 123 A 4.0721 8.4736 121.5012 55.0934 18.2725 177.0351 124 L 4.3942 7.1236 112.5660 55.6472 43.2213 174.6393 125 L 4.7551 7.9975 115.6084 53.1672 41.7683 176.3258 126 E 3.9175 8.0180 119.3404 55.7282 30.6787 175.6486 127 A 4.4958 8.9252 130.3574 49.9183 19.0050 175.1846 128 P 4.1005 0.0000 0.0000 64.1416 31.2146 176.5882 *130 A 3.9759 7.7070 119.9792 51.8027 19.4794 177.8786 131 D 4.5776 8.2766 118.6690 53.4609 41.2527 176.8207 132 N 4.4215 8.6064 125.3029 56.4454 38.7679 176.6770 133 D 4.5344 8.3213 119.8864 57.5621 40.8599 179.2206 134 G 3.6351 8.4755 105.9133 47.7425 0.0000 175.5281 135 F 4.2625 8.6316 123.6699 61.0365 39.3905 176.9930 136 S 3.9863 8.6121 113.1996 61.5993 62.0743 176.1210 137 E 3.9292 8.4214 120.9678 59.2535 29.1724 179.2351 138 A 3.9297 8.2109 121.0876 54.9714 18.3835 179.4321 139 F 3.9197 8.1779 119.6209 61.3108 39.4225 176.8145 140 N 4.0581 8.3286 116.8813 56.4635 38.8615 176.8924 141 G 3.5841 8.1009 107.2327 47.7710 0.0000 175.4137 142 L 3.8916 7.6847 123.3711 57.7147 42.1920 179.2531 143 R 3.7383 7.7880 116.3916 59.0369 29.1383 178.8344 144 L 3.9541 7.8094 119.8545 57.5494 41.5013 179.5135 145 R 3.8807 7.8232 117.8406 59.1642 29.9712 179.1212 146 L 3.9439 8.0270 118.8781 57.6771 41.6229 179.2125 147 Q 3.9426 8.0399 119.4968 59.4874 28.9356 178.3043 148 D 4.3693 8.3856 120.1047 56.9643 40.7761 178.4292 149 L 3.9137 8.2050 121.3637 58.2068 42.0940 178.8276 150 Q 3.9482 8.1516 119.3709 59.4515 29.0208 178.3445 151 Q 4.0193 8.1641 119.0284 58.6763 28.6814 178.5577 152 L 3.9314 8.3885 121.7173 58.0328 42.0922 178.8331 153 A 3.9921 8.1292 120.8089 55.0944 18.2565 179.3584 154 L 3.9057 8.1461 118.6384 58.3078 42.2084 179.0176 155 A 4.1036 8.2843 120.8925 55.0290 18.2699 179.9051 156 G 3.5437 8.1989 104.2771 47.9104 0.0000 175.8814 157 I 3.7381 8.0107 122.7756 64.4094 37.2219 178.7380 158 S 4.2010 8.3605 115.9418 61.5531 62.5356 176.4642 159 E 3.9135 8.3970 121.8347 59.1924 29.3987 178.7880 160 A 3.9771 8.1118 120.8975 55.0715 18.2281 179.2035 161 E 3.9083 8.1275 116.9031 59.7790 29.7659 178.9343 162 T 4.0220 8.0821 115.8365 66.6247 68.4922 176.7332 163 S 4.1623 8.4865 115.2299 61.3193 62.1874 176.0757 164 A 4.1008 8.0189 122.6309 54.8569 18.1882 179.2222 165 R 3.9917 7.5434 114.6626 58.1294 30.0991 176.5617 166 H 4.5136 7.9858 121.5194 55.8143 29.0608 174.0593 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 39 S 8.19 4.40 0.00 3.87 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 40 N 9.18 4.37 0.00 2.91 2.80 0.00 0.00 7.56 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 41 A 8.20 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 42 Q 7.84 3.89 0.00 2.12 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.02 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 43 E 8.53 4.13 0.00 2.22 2.20 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 2.56 2.39 0.00 44 Q 8.45 4.13 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.17 0.00 0.00 0.00 0.00 0.00 2.68 2.53 0.00 45 R 7.82 4.28 0.00 2.06 2.15 0.00 3.02 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.69 0.00 *47 S 8.11 4.47 0.00 3.94 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 48 H 8.45 4.12 0.00 3.23 3.39 0.00 5.83 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 49 H 8.16 4.18 0.00 3.13 3.16 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 8.02 3.93 0.00 3.02 2.99 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 51 A 8.34 4.01 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 52 T 7.83 3.75 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 1.17 0.00 0.00 53 I 7.96 3.65 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.73 0.92 0.00 0.00 54 E 8.35 3.89 0.00 2.11 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 0.00 2.31 2.34 0.00 55 V 8.24 3.87 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 1.04 0.00 0.00 0.97 0.00 0.00 56 S 8.23 4.09 0.00 4.07 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 57 Q 8.32 3.91 0.00 2.31 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 58 Q 8.10 3.95 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.64 0.00 59 L 7.79 3.67 0.00 1.67 1.37 0.62 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.23 3.98 0.00 2.00 2.01 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 1.69 1.86 0.00 61 Q 8.25 3.99 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 62 L 8.25 4.30 0.00 1.90 1.87 0.86 0.45 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 63 L 8.60 4.08 0.00 1.98 1.95 0.88 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.26 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 65 D 8.57 4.46 0.00 2.96 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 66 Q 8.12 4.03 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 67 L 7.99 3.94 0.00 1.96 1.72 0.68 0.83 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 68 V 7.99 3.70 2.30 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 0.93 0.00 0.00 1.18 0.00 0.00 69 I 7.78 3.89 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.35 0.93 0.00 0.00 70 L 7.84 4.11 0.00 1.77 1.74 0.95 0.83 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 71 L 7.80 4.28 0.00 1.82 1.84 0.64 1.06 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 72 R 6.98 4.22 0.00 1.78 2.03 0.00 3.20 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 73 E 9.16 4.04 0.00 1.94 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 2.34 2.31 0.00 74 T 7.45 4.48 4.25 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 1.22 0.00 0.00 75 P 0.00 4.27 0.00 2.04 2.11 0.00 3.68 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 2.33 0.00 76 D 8.72 4.65 0.00 2.80 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 77 G 8.65 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 78 Q 8.12 3.94 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 79 A 8.30 4.01 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 80 L 8.18 3.94 0.00 1.78 1.84 0.94 0.78 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 81 E 8.38 4.35 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.58 0.00 82 R 8.02 3.93 0.00 2.09 2.05 0.00 3.14 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 83 S 8.24 4.32 0.00 3.95 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 84 Q 8.50 4.64 0.00 2.35 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 85 N 8.50 4.41 0.00 2.98 3.00 0.00 0.00 7.21 8.04 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 86 D 8.35 4.39 0.00 2.95 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 87 F 8.28 3.85 0.00 3.07 2.94 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 88 R 8.19 4.04 0.00 2.40 2.21 0.00 3.25 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 89 R 8.20 3.92 0.00 2.02 1.96 0.00 3.19 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.00 0.00 90 V 7.77 3.46 1.83 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 0.81 0.00 0.00 0.88 0.00 0.00 91 L 7.75 3.74 0.00 1.44 1.77 0.92 1.46 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 92 E 8.31 3.99 0.00 2.03 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 2.52 2.49 0.00 93 Q 8.20 4.04 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 94 G 8.14 3.63 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 0.00 0.00 0.00 95 R 8.05 3.92 0.00 1.92 2.02 0.00 3.19 0.00 0.00 3.42 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 96 A 7.98 4.20 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 97 N 7.69 4.75 0.00 2.78 2.84 0.00 0.00 6.83 7.48 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 98 T 7.17 4.53 4.33 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 1.29 0.00 0.00 99 V 8.17 4.13 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 0.76 0.00 0.00 0.92 0.00 0.00 100 D 7.99 4.31 0.00 2.73 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 0.00 101 S 8.76 4.10 0.00 3.92 3.84 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 0.00 102 A 8.39 3.95 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 0.00 103 E 8.46 3.87 0.00 2.10 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 2.38 2.37 0.00 104 Q 8.23 3.94 0.00 2.36 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 105 A 7.81 3.97 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 0.00 106 A 8.35 3.95 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.47 3.96 0.00 1.71 1.73 0.90 1.05 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 0.00 108 D 8.33 4.48 0.00 2.91 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 0.00 109 G 8.08 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 0.00 110 V 8.10 3.70 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 1.19 0.00 0.00 0.98 0.00 0.00 111 R 8.31 4.07 0.00 2.00 2.15 0.00 3.22 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 112 D 8.24 4.40 0.00 2.93 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 0.00 113 A 8.20 4.10 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 0.00 114 Y 8.53 4.12 0.00 3.12 3.23 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 0.00 115 L 8.18 3.81 0.00 1.84 1.65 0.94 0.83 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 0.00 116 Q 8.00 3.99 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.77 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 117 L 7.84 3.90 0.00 1.69 1.78 0.91 0.98 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 0.00 118 Q 7.75 3.95 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.03 1.71 0.00 119 A 7.87 3.97 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 0.00 120 H 7.57 4.80 0.00 3.11 3.31 0.00 5.85 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 7.10 4.03 4.19 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 0.00 0.00 0.00 1.19 0.00 0.00 122 P 0.00 4.61 0.00 2.16 2.05 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 123 A 8.47 4.07 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 0.00 124 L 7.12 4.39 0.00 1.69 1.64 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.00 4.76 0.00 1.61 1.60 0.91 0.85 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 0.00 126 E 8.02 3.92 0.00 1.92 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 0.00 2.28 2.30 0.00 127 A 8.93 4.50 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 0.00 128 P 0.00 4.10 0.00 2.03 2.08 0.00 3.68 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 2.01 2.08 0.00 *130 A 7.71 3.98 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 0.00 131 D 8.28 4.58 0.00 2.75 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 0.00 132 N 8.61 4.42 0.00 2.89 3.12 0.00 0.00 7.03 8.08 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 0.00 133 D 8.32 4.53 0.00 2.86 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 0.00 134 G 8.48 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 0.00 135 F 8.63 4.26 0.00 3.12 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 0.00 136 S 8.61 3.99 0.00 3.83 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 0.00 137 E 8.42 3.93 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.48 0.00 138 A 8.21 3.93 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 0.00 139 F 8.18 3.92 0.00 2.39 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 0.00 140 N 8.33 4.06 0.00 2.99 2.87 0.00 0.00 7.14 7.60 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 0.00 141 G 8.10 3.58 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 0.00 142 L 7.68 3.89 0.00 1.73 1.54 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 143 R 7.79 3.74 0.00 1.76 1.33 0.00 2.69 0.00 0.00 2.98 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.50 0.00 144 L 7.81 3.95 0.00 1.69 1.69 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 145 R 7.82 3.88 0.00 1.97 1.94 0.00 3.09 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 146 L 8.03 3.94 0.00 1.79 1.68 0.90 0.69 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 0.00 147 Q 8.04 3.94 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 148 D 8.39 4.37 0.00 2.69 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 0.00 149 L 8.21 3.91 0.00 1.78 1.89 0.91 0.83 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 0.00 150 Q 8.15 3.95 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 151 Q 8.16 4.02 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 152 L 8.39 3.93 0.00 1.78 1.87 0.92 0.81 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 0.00 153 A 8.13 3.99 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 0.00 154 L 8.15 3.91 0.00 1.89 1.86 0.96 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 0.00 155 A 8.28 4.10 1.38 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 0.00 0.00 0.00 156 G 8.20 3.54 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 0.00 0.00 0.00 157 I 8.01 3.74 2.08 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 1.54 0.89 0.97 0.00 0.00 158 S 8.36 4.20 0.00 3.83 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 0.00 159 E 8.40 3.91 0.00 2.23 1.94 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 2.30 2.37 0.00 160 A 8.11 3.98 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 0.00 161 E 8.13 3.91 0.00 2.02 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 0.00 2.35 2.37 0.00 162 T 8.08 4.02 4.36 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 1.22 0.00 0.00 163 S 8.49 4.16 0.00 3.95 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 0.00 164 A 8.02 4.10 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 0.00 165 R 7.54 3.99 0.00 1.76 1.89 0.00 3.07 0.00 0.00 3.20 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 166 H 7.99 4.51 0.00 3.24 3.17 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.