NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 R 4.3288 8.2393 120.8714 56.2424 30.3042 174.2124 13 L 4.5979 8.1353 125.6149 52.2666 42.7582 174.2415 14 P 4.3298 0.0000 0.0000 62.1481 32.7990 176.9232 15 P 4.2087 0.0000 0.0000 65.6617 31.2573 177.6302 16 E 4.0130 7.9519 116.1487 58.3131 29.9488 177.7370 17 V 2.0000 6.6680 119.2333 61.0134 31.9400 175.0364 18 N 4.6890 7.8196 117.8809 52.5563 41.6446 174.7209 19 R 4.2414 8.6550 123.5962 58.2834 31.4963 175.8129 20 I 4.8741 8.6040 121.7137 59.6407 39.3675 174.5623 21 L 5.2556 9.3801 127.2665 53.1757 44.5317 174.7068 22 Y 4.9580 9.2835 125.2576 56.2818 40.7488 173.9298 23 I 4.8004 8.1790 126.6455 59.1520 41.3633 174.2652 24 R 4.5493 8.7448 126.7813 54.2430 34.3772 174.5495 25 N 4.3263 8.5481 115.5534 54.6068 37.3975 173.8124 26 L 4.5748 7.5525 116.0253 53.0335 42.3396 174.2067 27 P 4.3918 0.0000 0.0000 63.0397 31.9286 177.2019 28 Y 4.4080 8.4304 119.8170 61.2556 37.9286 177.4739 29 K 4.2897 8.0113 115.9623 56.7604 32.6312 176.9651 30 I 3.8903 7.3526 120.9543 61.3439 38.5305 176.0429 31 T 4.5045 9.2680 118.2852 60.2249 71.8109 175.9732 32 A 4.0848 8.4107 122.9467 55.4270 18.3535 179.4141 33 E 3.9625 8.2779 117.2526 59.6792 29.6260 178.7819 34 E 4.0287 8.2379 118.2702 59.5920 29.4246 179.1546 35 M 4.2598 8.3275 118.7543 58.8907 32.0415 178.5005 36 Y 3.9126 8.1709 116.6726 60.8453 37.7782 177.9480 37 D 4.3801 8.3143 118.3491 57.5227 41.6767 178.2860 38 I 3.6580 7.9911 120.2684 64.5578 37.0321 178.5862 39 F 4.4346 8.4820 118.8877 60.2239 39.0041 177.8614 40 G 3.9161 8.6301 104.9310 46.4940 0.0000 175.3592 41 K 3.9601 7.5847 120.8668 58.9543 32.2240 177.2356 42 Y 4.4407 8.6329 114.8512 56.9745 38.4193 174.6045 43 G 4.4374 7.4847 104.8487 42.6733 0.0000 171.4743 44 P 4.2901 0.0000 0.0000 63.4274 32.1036 175.7730 45 I 4.2215 8.4711 125.3521 60.7587 37.7768 175.8167 46 R 4.4028 9.3180 128.3000 57.7499 30.6604 176.0726 47 Q 4.6494 7.1821 113.6970 55.7532 31.3384 172.5400 48 I 4.9340 8.3355 119.8156 59.5423 40.9117 175.1787 49 R 4.6853 8.8188 124.0995 54.4865 33.4524 174.7523 50 V 4.6519 8.4075 116.8081 58.9516 34.2937 175.9560 51 G 3.9020 9.1813 112.9806 45.6273 0.0000 173.3733 52 N 5.1578 8.5704 121.6387 52.5211 38.1730 173.9985 53 T 4.6986 7.9039 107.6661 59.7303 71.9075 172.6223 54 P 4.1386 0.0000 0.0000 66.0962 31.3424 177.8745 55 E 4.2014 8.1529 115.4719 58.1315 29.7172 177.3193 56 T 4.5260 7.3401 106.1528 61.2336 70.7196 174.4798 57 R 3.8151 7.8246 121.4838 58.3779 30.6026 176.5613 58 G 4.4139 10.0868 109.4464 45.3272 0.0000 172.3154 59 T 5.0241 7.3830 107.7972 60.2827 72.7507 172.0989 60 A 4.8465 8.0780 122.4580 51.4505 23.6997 174.6131 61 Y 5.0828 8.9845 117.0882 56.2764 41.0316 175.2173 62 V 4.3000 8.9390 124.8941 60.9110 33.9984 174.3465 63 V 4.6886 8.3943 128.1239 61.4260 33.5049 174.2175 64 Y 4.6842 8.8357 126.2201 56.9757 38.5311 175.7711 65 E 4.1901 9.1057 123.0747 58.3464 31.2734 176.2119 66 D 5.0993 8.0476 118.4974 51.5081 44.2289 176.0434 67 I 3.6652 8.2851 125.5595 64.0127 37.9636 178.0268 68 F 4.2605 8.0596 118.5569 60.1775 38.4780 177.4355 69 D 4.3532 8.4547 118.0330 57.3532 40.6286 178.4954 70 A 3.1999 7.7004 121.0804 54.6726 18.2699 179.3988 71 K 4.5359 7.9896 119.5035 59.2533 32.2740 178.4667 72 N 4.2565 8.0151 116.4700 56.4782 38.7917 176.6960 73 A 2.5800 7.6802 122.1916 54.8582 17.9667 179.1727 74 C 3.7994 7.9374 117.3945 62.6918 31.3290 175.5487 75 D 4.4553 8.0659 119.6312 56.9126 40.3942 177.5335 76 H 4.7500 7.4184 114.2377 56.3751 29.9567 176.3448 77 L 4.3498 7.8783 120.2881 54.2859 41.8480 176.4717 78 S 4.0983 6.7740 113.9760 60.1245 62.3960 174.6166 79 G 3.9863 8.8267 115.5005 45.3061 0.0000 173.2274 80 F 4.1081 8.4722 123.8299 57.9790 39.7224 173.6187 81 N 4.5711 7.9791 127.2432 52.8638 39.1464 174.3337 82 V 4.2905 7.9950 125.1849 61.1500 34.9390 175.4381 83 C 3.8771 8.4507 121.4009 61.5267 26.8379 173.3810 84 N 4.7125 8.4609 118.7396 54.3870 39.0046 174.3725 85 R 4.5599 7.4451 113.0502 54.5342 33.8248 173.3908 86 Y 5.0936 8.2723 116.4332 55.8602 40.1140 176.0109 87 L 4.3026 8.8588 125.1130 55.3364 43.4824 176.5639 88 V 4.6695 8.6765 122.0734 61.0639 33.8550 174.5757 89 V 4.8396 8.4437 127.2248 59.9120 33.6411 174.9141 90 L 4.8887 9.0123 124.3297 52.5369 46.1811 175.6651 91 Y 4.6265 8.3899 118.7553 58.0625 39.0509 175.1319 92 Y 4.6359 9.1311 124.9743 58.5008 40.0483 175.8385 93 N 4.4539 7.4877 122.4102 51.1704 41.3696 174.7218 94 A 3.7981 8.5043 128.8233 55.1139 18.1614 178.5353 95 N 4.1953 7.9844 114.2161 56.8388 39.4900 176.4703 96 R 3.9209 8.7123 120.0884 59.5356 29.9483 177.9757 97 A 3.7401 7.6384 119.3061 54.5682 18.5949 178.6633 98 F 4.7303 7.8845 115.0357 57.2870 40.2092 178.5214 99 Q 4.1255 7.8194 120.1573 59.2387 28.5926 178.6338 100 K 4.1968 7.9836 114.4902 57.8969 32.3897 176.8285 101 M 4.4367 7.3971 116.2029 53.6518 32.5628 176.0466 102 D 4.5411 8.5112 120.7480 53.3187 40.4033 177.0224 103 T 3.8385 8.6467 114.9740 65.5687 67.6991 175.2665 104 K 4.1111 8.1940 119.9429 59.4319 32.6352 179.0916 105 K 3.9146 7.9475 119.1975 59.4109 31.9667 178.6370 106 K 3.9497 8.0206 119.4636 59.3992 32.1406 178.2769 107 E 3.9289 8.0730 119.5203 58.9196 29.5127 178.6106 108 E 3.8419 7.9946 117.2281 59.6532 29.9346 178.6628 109 Q 3.7543 7.9465 121.3393 58.3997 28.9600 178.4655 110 L 3.8634 7.7946 119.9271 57.6516 41.8329 179.2389 111 K 3.8714 7.9584 119.6012 59.3094 32.0260 178.5698 112 L 3.8546 8.0150 120.6665 58.1739 42.0773 178.9465 113 L 4.0473 7.6647 118.4454 57.6979 41.0446 179.4356 114 K 3.9814 8.0803 119.6273 59.3826 31.8338 178.7876 115 E 3.9073 7.6270 117.5790 59.4060 29.5661 179.1916 116 K 3.8437 7.4926 116.9875 58.8453 32.2060 177.7334 117 Y 4.6795 7.4591 113.2152 56.5936 40.1302 175.5643 118 G 3.9828 8.0019 107.7215 47.1538 0.0000 173.3141 119 I 4.4143 7.3617 109.9084 58.4401 40.0419 175.4967 120 N 4.2190 8.7304 120.8261 54.8977 38.9387 174.2967 121 T 4.4755 8.3941 117.5529 61.8135 68.6608 173.6503 122 D 4.6621 7.9489 119.9021 53.4905 41.7392 174.4961 123 P 4.3243 0.0000 0.0000 61.6242 31.8908 174.4433 124 P 4.2298 0.0000 0.0000 62.9726 31.1389 176.6068 125 K 4.1485 8.6333 121.8487 56.5810 31.9246 176.9670 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 12 R 8.24 4.33 0.00 1.79 1.98 0.00 3.23 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 13 L 8.14 4.60 0.00 1.78 1.65 0.74 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.33 0.00 2.18 2.01 0.00 3.56 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 15 P 0.00 4.21 0.00 2.14 2.16 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 16 E 7.95 4.01 0.00 2.07 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 2.02 2.31 0.00 17 V 6.67 2.00 1.71 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 0.45 0.00 0.00 0.70 0.00 0.00 18 N 7.82 4.69 0.00 2.82 2.88 0.00 0.00 7.07 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 19 R 8.65 4.24 0.00 1.82 2.22 0.00 3.36 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.65 0.00 20 I 8.60 4.87 1.91 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.49 0.92 0.00 0.00 21 L 9.38 5.26 0.00 1.78 1.56 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 9.28 4.96 0.00 3.01 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 23 I 8.18 4.80 1.84 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.03 0.65 0.00 0.00 24 R 8.74 4.55 0.00 1.58 1.65 0.00 3.32 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.20 0.00 25 N 8.55 4.33 0.00 2.81 2.98 0.00 0.00 6.97 7.78 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 26 L 7.55 4.57 0.00 1.98 1.81 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.39 0.00 2.21 1.98 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 28 Y 8.43 4.41 0.00 2.93 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 29 K 8.01 4.29 0.00 1.77 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.52 7.81 30 I 7.35 3.89 1.93 0.00 0.00 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 1.44 1.00 1.02 0.00 0.00 31 T 9.27 4.50 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 32 A 8.41 4.08 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 33 E 8.28 3.96 0.00 2.08 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 2.42 2.44 0.00 34 E 8.24 4.03 0.00 2.28 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 35 M 8.33 4.26 0.00 2.02 2.33 0.00 0.00 0.00 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.92 0.00 36 Y 8.17 3.91 0.00 3.27 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 37 D 8.31 4.38 0.00 2.89 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 38 I 7.99 3.66 1.54 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 1.52 0.81 -0.09 0.00 0.00 39 F 8.48 4.43 0.00 3.05 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 40 G 8.63 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 41 K 7.58 3.96 0.00 1.72 1.61 0.00 1.49 0.00 0.00 0.73 0.00 0.00 2.70 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.77 1.19 7.81 42 Y 8.63 4.44 0.00 2.99 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 43 G 7.48 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.29 0.00 2.18 2.12 0.00 3.89 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 45 I 8.47 4.22 2.04 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.71 0.61 0.00 0.00 46 R 9.32 4.40 0.00 1.83 2.00 0.00 3.18 0.00 0.00 3.31 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.42 0.00 47 Q 7.18 4.65 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.63 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 48 I 8.34 4.93 1.61 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.15 0.67 0.00 0.00 49 R 8.82 4.69 0.00 1.86 1.85 0.00 3.02 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 50 V 8.41 4.65 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 0.67 0.00 0.00 0.94 0.00 0.00 51 G 9.18 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.57 5.16 0.00 2.75 2.81 0.00 0.00 5.93 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 53 T 7.90 4.70 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 1.21 0.00 0.00 54 P 0.00 4.14 0.00 2.04 2.17 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 55 E 8.15 4.20 0.00 1.97 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 2.33 2.31 0.00 56 T 7.34 4.53 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 57 R 7.82 3.82 0.00 1.58 1.50 0.00 2.88 0.00 0.00 2.88 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.34 0.00 58 G 10.09 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 0.00 0.00 0.00 0.00 59 T 7.38 5.02 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 1.17 0.00 0.00 60 A 8.08 4.85 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.98 5.08 0.00 2.93 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 62 V 8.94 4.30 1.69 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 0.32 0.00 0.00 -0.36 0.00 0.00 63 V 8.39 4.69 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 0.85 0.00 0.00 0.86 0.00 0.00 64 Y 8.84 4.68 0.00 2.93 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 65 E 9.11 4.19 0.00 2.35 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 2.35 2.34 0.00 66 D 8.05 5.10 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 67 I 8.29 3.67 1.69 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.04 0.17 0.00 0.00 68 F 8.06 4.26 0.00 3.42 3.10 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 69 D 8.45 4.35 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 70 A 7.70 3.20 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 71 K 7.99 4.54 0.00 2.00 2.02 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.68 1.42 7.81 72 N 8.02 4.26 0.00 3.06 2.99 0.00 0.00 7.14 9.21 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 73 A 7.68 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 C 7.94 3.80 0.00 2.65 2.66 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 75 D 8.07 4.46 0.00 2.56 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 7.42 4.75 0.00 3.00 3.42 0.00 5.84 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.88 4.35 0.00 1.70 1.58 0.39 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 78 S 6.77 4.10 0.00 3.93 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 79 G 8.83 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.47 4.11 0.00 3.14 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 81 N 7.98 4.57 0.00 2.53 2.32 0.00 0.00 6.93 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 82 V 8.00 4.29 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 0.76 0.00 0.00 0.96 0.00 0.00 83 C 8.45 3.88 0.00 2.99 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 84 N 8.46 4.71 0.00 2.61 2.72 0.00 0.00 6.50 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 85 R 7.45 4.56 0.00 1.78 1.87 0.00 2.67 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 86 Y 8.27 5.09 0.00 2.82 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 87 L 8.86 4.30 0.00 1.73 1.70 1.06 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.68 4.67 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 0.97 0.00 0.00 0.94 0.00 0.00 89 V 8.44 4.84 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 0.85 0.00 0.00 0.86 0.00 0.00 90 L 9.01 4.89 0.00 1.66 1.63 1.04 0.73 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 91 Y 8.39 4.63 0.00 3.06 2.97 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 92 Y 9.13 4.64 0.00 3.05 3.17 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 93 N 7.49 4.45 0.00 2.65 2.45 0.00 0.00 6.92 8.54 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 94 A 8.50 3.80 1.48 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 0.00 0.00 95 N 7.98 4.20 0.00 2.85 3.02 0.00 0.00 6.89 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 96 R 8.71 3.92 0.00 1.77 1.87 0.00 2.87 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 97 A 7.64 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 F 7.88 4.73 0.00 3.18 3.06 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 0.00 99 Q 7.82 4.13 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.72 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 100 K 7.98 4.20 0.00 1.74 1.89 0.00 1.63 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.50 7.81 101 M 7.40 4.44 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.79 0.00 102 D 8.51 4.54 0.00 2.89 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 0.00 103 T 8.65 3.84 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 1.21 0.00 0.00 104 K 8.19 4.11 0.00 1.90 1.95 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.48 7.81 105 K 7.95 3.91 0.00 2.03 1.82 0.00 1.52 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.49 7.81 106 K 8.02 3.95 0.00 2.04 1.80 0.00 1.95 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.64 7.81 107 E 8.07 3.93 0.00 2.06 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 2.28 2.30 0.00 108 E 7.99 3.84 0.00 2.14 2.15 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 2.52 2.27 0.00 109 Q 7.95 3.75 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.86 0.00 0.00 0.00 0.00 0.00 1.48 1.36 0.00 110 L 7.79 3.86 0.00 1.70 1.66 0.92 0.67 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 0.00 111 K 7.96 3.87 0.00 1.97 1.88 0.00 1.49 0.00 0.00 1.55 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.60 7.81 112 L 8.01 3.85 0.00 1.83 1.73 0.85 0.44 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 0.00 113 L 7.66 4.05 0.00 1.92 1.82 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 114 K 8.08 3.98 0.00 1.97 1.96 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.49 7.81 115 E 7.63 3.91 0.00 1.96 1.90 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 2.53 2.42 0.00 116 K 7.49 3.84 0.00 0.79 0.78 0.00 1.50 0.00 0.00 1.47 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.24 7.81 117 Y 7.46 4.68 0.00 3.07 2.91 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 0.00 118 G 8.00 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 0.00 119 I 7.36 4.41 1.99 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.85 0.99 0.00 0.00 120 N 8.73 4.22 0.00 2.69 2.81 0.00 0.00 6.80 7.70 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 0.00 121 T 8.39 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 1.21 0.00 0.00 122 D 7.95 4.66 0.00 2.84 2.57 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 0.00 0.00 0.00 0.00 123 P 0.00 4.32 0.00 2.03 1.99 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 124 P 0.00 4.23 0.00 2.18 2.10 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 125 K 8.63 4.15 0.00 1.75 1.77 0.00 1.66 0.00 0.00 1.98 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.50 7.81