NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4079 8.3349 116.7446 57.9086 65.3034 172.8027 3 F 4.1126 7.8333 118.2055 55.0235 41.2912 173.1307 4 R 4.9462 8.6333 124.8705 55.4947 32.0096 176.6083 5 F 4.9172 8.7703 123.6751 57.1065 41.1550 175.4859 6 G 3.9825 8.1643 119.5137 46.4268 0.0000 171.9065 7 Q 4.4576 8.7017 122.9564 55.4763 28.9005 174.3584 8 H 5.0160 7.7869 115.6765 53.9362 31.3874 172.6659 9 L 5.1655 8.3988 122.7291 53.5627 44.2990 175.4818 10 I 4.4142 9.0919 127.9916 59.5236 38.7622 175.3981 11 K 4.0310 8.6940 127.6302 55.9578 32.5823 176.5119 12 P 4.1938 0.0000 0.0000 65.6486 31.6890 178.3610 13 S 4.2534 8.2899 112.3641 61.0331 62.8806 176.0034 14 V 4.2447 8.1466 112.1820 60.6923 31.6310 174.8001 15 V 4.4144 7.9111 121.4232 61.3070 32.2076 175.5176 16 F 4.9443 7.8937 120.5668 56.1593 38.6866 174.7360 17 L 4.1272 6.8512 120.7382 54.5035 44.4094 173.4222 18 K 4.7110 8.2595 124.7980 55.7439 35.3228 175.0822 19 T 4.7952 8.1888 119.5391 60.5558 70.6135 173.8829 20 E 4.2308 8.8140 117.0329 58.5031 30.4697 177.2442 21 L 4.6280 8.0693 117.7301 54.6289 44.5391 175.4370 22 S 5.3150 8.2273 114.5429 57.3468 66.6331 172.8992 23 F 5.1263 8.0527 112.3084 56.6255 41.1959 173.0078 24 A 4.7815 8.1773 121.1865 50.3038 22.7946 174.8251 25 L 4.9131 8.2232 118.7099 54.8569 44.5943 175.2119 26 V 4.4955 8.1527 113.0563 60.5176 33.2862 175.4694 27 N 4.8477 8.2686 118.7246 51.8210 40.2406 175.7393 28 R 3.9665 8.4979 121.1648 58.3693 30.7917 175.9316 29 K 4.9553 7.4769 116.0382 53.3281 32.9087 173.5774 30 P 4.4178 0.0000 0.0000 62.4966 32.1673 177.9898 31 V 3.8027 8.5192 119.8691 65.4345 32.1335 176.6028 32 V 4.4377 7.3090 111.1364 58.6241 35.4836 171.9053 33 P 4.0399 0.0000 0.0000 64.7628 31.3722 176.6459 34 G 2.5222 7.9922 110.5542 44.6819 0.0000 172.2581 35 H 4.5789 7.6221 120.0166 56.0102 30.0901 174.6611 36 V 4.5794 8.6749 118.5606 59.5906 36.4980 174.3600 37 L 5.1775 8.5401 119.9807 53.0292 45.6456 176.2790 38 V 4.4032 8.2262 120.9190 61.2817 34.4560 174.1770 39 C 5.0890 8.1172 124.9332 56.8323 32.2457 172.3048 40 P 4.7658 0.0000 0.0000 62.5150 31.7234 176.6413 41 L 4.4210 9.2017 121.3072 57.6413 41.7715 177.9698 42 R 4.2816 7.9270 119.1991 54.6516 30.4765 174.9872 43 P 4.2764 0.0000 0.0000 62.3852 29.8970 175.3842 44 V 4.3474 7.5880 119.5382 60.3024 33.8888 176.5224 45 E 4.4208 8.4618 121.7443 56.1728 30.4374 176.3964 46 R 4.8311 7.4397 117.5057 53.9112 33.6551 175.8081 47 F 4.4901 9.6829 125.6305 61.9265 39.3990 176.9143 48 H 4.2020 8.0168 113.6937 57.5216 28.4023 175.4157 49 D 4.6467 8.2833 119.4342 54.6699 41.0294 176.1029 50 L 4.5589 7.4500 120.4640 53.5928 42.5562 177.6794 51 R 4.1752 8.8983 122.7558 55.5534 32.0101 176.0914 52 P 4.4675 0.0000 0.0000 64.2987 31.3509 178.4576 53 D 4.4246 7.9562 118.7082 56.3014 39.7345 178.2521 54 E 4.0296 8.1399 119.2521 58.6937 29.1817 179.1285 55 V 3.9667 7.7218 118.5324 65.4917 31.6092 177.9879 56 A 4.0834 7.8625 120.7980 55.2998 18.3515 178.9669 57 D 4.3090 8.3684 116.7307 57.5989 40.8819 178.3174 58 L 3.8841 8.4439 121.0071 57.4123 42.1645 178.0643 59 F 4.2171 8.0189 115.6379 57.9132 39.7442 177.9572 60 Q 4.0971 8.2778 118.6278 59.0855 28.5273 178.3792 61 T 3.8954 7.9437 116.8583 66.9405 68.0381 176.9525 62 T 3.8281 7.4119 117.1980 66.1657 68.0867 176.7881 63 Q 3.9468 7.6555 120.8399 59.2519 29.3437 178.0044 64 R 4.1522 7.9671 118.9723 59.5128 30.2255 178.9237 65 V 4.1931 8.3379 118.1600 66.5749 31.3825 178.4499 66 G 3.7399 8.1499 104.6701 48.1904 0.0000 175.8471 67 T 3.9583 7.8696 118.4087 66.1389 68.3050 176.9241 68 V 3.2852 7.6162 119.6347 65.9255 31.8621 178.4274 69 V 3.7500 7.7191 111.4866 63.7122 31.3550 178.1715 70 E 3.9956 8.1369 119.8893 58.8372 29.4485 178.4815 71 K 3.7969 7.4945 118.6964 59.5072 32.1455 178.0013 72 H 3.8562 8.0029 117.7373 58.3741 29.6338 176.0024 73 F 4.4748 7.9205 114.5141 56.8010 39.1331 175.9969 74 H 3.9423 7.5500 116.7908 56.9803 25.9284 173.2595 75 G 4.2312 8.7686 108.4874 43.9912 0.0000 171.3395 76 T 4.6551 9.0282 108.1315 61.2676 69.6480 173.9978 77 S 4.7535 7.6557 116.4503 57.9652 67.3566 173.5558 78 L 4.7554 8.5323 121.1660 53.2546 45.0885 176.0620 79 T 4.5891 8.0817 117.4294 61.9010 71.5237 173.1061 80 F 5.3592 8.5514 124.6289 55.9919 42.2117 174.9017 81 S 4.6447 8.3383 112.5814 57.8324 66.4865 173.9900 82 M 4.8418 8.8620 126.0951 54.0672 34.2939 175.5444 83 Q 4.3380 8.8758 125.9728 54.9471 28.4085 175.3545 84 D 4.6070 9.0191 127.6906 50.6898 40.1683 174.7961 85 G 4.4887 7.5843 110.0761 42.7732 0.0000 170.6111 86 P 4.3032 0.0000 0.0000 65.0660 31.4260 178.2227 87 E 4.3263 8.1596 114.7618 56.7447 29.7650 176.3682 88 A 4.4428 7.8717 120.6963 51.7882 19.8272 177.6537 89 G 3.9881 7.7709 103.4109 44.5338 0.0000 174.0428 90 Q 4.0413 7.7604 121.4636 56.7569 29.4914 175.8204 91 T 4.3610 8.6757 114.6610 62.3258 70.5134 174.9668 92 V 4.1181 7.4508 121.0708 59.5201 33.3351 176.9675 93 K 4.5031 8.2288 126.8199 55.6285 30.7415 175.9856 94 H 4.9733 7.3209 116.9710 53.9328 33.5200 172.6161 95 V 3.9412 8.1433 126.8349 63.3062 32.1658 175.2888 96 N 4.5891 8.2552 121.1172 52.1112 39.5188 174.1875 97 V 3.9460 8.4242 125.6867 62.9390 33.0469 174.2628 98 H 5.2207 9.2142 125.2471 54.4543 30.8761 174.0319 99 V 4.4109 8.8223 123.7730 60.9952 33.9555 174.1341 100 L 4.9170 8.2825 128.0603 52.0975 44.3428 174.6527 101 P 4.5940 0.0000 0.0000 62.5767 32.2174 176.0767 102 R 4.9171 9.7135 121.8882 54.5190 33.6504 174.9295 103 K 4.8533 9.0519 120.0883 54.0457 36.6448 176.2267 104 A 3.8244 8.7358 125.0536 53.5473 19.0494 178.1893 105 G 3.8268 8.6231 113.0004 46.5591 0.0000 170.9307 106 D 4.7741 7.3988 117.6296 51.1694 42.7077 175.7927 *129 W 5.2453 8.3972 127.6729 57.9006 31.3925 174.6491 130 R 3.8334 6.1600 120.5951 54.0998 32.1300 174.6119 131 S 4.0377 7.7593 114.4047 57.9977 64.0906 174.8228 132 E 3.8662 9.0401 121.3298 60.0289 29.1616 179.5210 133 E 4.0065 7.7315 118.9527 59.0413 29.8125 178.3101 134 E 3.9989 8.1861 119.0453 58.6759 29.6284 178.3934 135 M 4.0509 7.6786 118.2047 57.8850 32.4907 178.1098 136 A 4.3568 8.7194 122.4224 54.0204 18.6544 179.5721 137 A 3.8628 8.0637 119.6707 55.3929 18.6078 179.2009 138 E 3.8754 8.0485 116.9321 59.6414 29.6678 179.0702 139 A 4.0005 8.2619 120.3443 54.9534 18.1582 179.5150 140 A 3.9509 7.7846 118.4005 55.1556 18.7212 179.4330 141 A 4.0389 7.8715 118.9360 55.3885 18.5041 179.9619 142 L 3.9526 7.7495 117.2011 57.7766 41.3777 179.9476 143 R 4.3065 8.0586 118.1742 58.9117 30.0417 179.1227 144 V 3.6987 7.6971 118.1595 66.1938 31.3892 177.4679 145 Y 4.1457 7.8359 114.9450 59.6187 37.3717 177.0797 146 F 4.8504 7.4479 117.0161 57.0429 39.6914 175.5626 147 Q 4.2421 7.9199 123.4163 56.3075 28.4754 176.0912 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.33 4.41 0.00 3.31 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 3 F 7.83 4.11 0.00 3.00 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 0.00 0.00 0.00 0.00 4 R 8.63 4.95 0.00 1.94 1.95 0.00 3.24 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 5 F 8.77 4.92 0.00 3.14 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 6 G 8.16 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 7 Q 8.70 4.46 0.00 1.91 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 8 H 7.79 5.02 0.00 3.33 3.27 0.00 5.57 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.40 5.17 0.00 1.66 1.58 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 10 I 9.09 4.41 2.01 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 1.44 1.11 0.89 0.00 0.00 11 K 8.69 4.03 0.00 1.74 1.77 0.00 1.73 0.00 0.00 1.91 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.52 7.81 12 P 0.00 4.19 0.00 2.24 2.30 0.00 3.68 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 13 S 8.29 4.25 0.00 4.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.15 4.24 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 0.79 0.00 0.00 0.92 0.00 0.00 15 V 7.91 4.41 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 0.28 0.00 0.00 0.21 0.00 0.00 16 F 7.89 4.94 0.00 3.15 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 17 L 6.85 4.13 0.00 0.84 0.68 0.60 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.26 4.71 0.00 1.74 1.63 0.00 2.07 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.53 7.81 19 T 8.19 4.80 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 1.17 0.00 0.00 20 E 8.81 4.23 0.00 2.12 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 0.00 2.38 2.35 0.00 21 L 8.07 4.63 0.00 2.04 1.74 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.23 5.31 0.00 3.61 3.69 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 23 F 8.05 5.13 0.00 2.89 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 24 A 8.18 4.78 0.38 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 25 L 8.22 4.91 0.00 1.73 1.59 0.62 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.15 4.50 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 0.86 0.00 0.00 0.92 0.00 0.00 27 N 8.27 4.85 0.00 2.55 2.74 0.00 0.00 6.87 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 28 R 8.50 3.97 0.00 1.86 1.94 0.00 2.94 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.47 0.00 29 K 7.48 4.96 0.00 1.77 1.74 0.00 1.89 0.00 0.00 1.85 0.00 0.00 3.19 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.49 7.81 30 P 0.00 4.42 0.00 2.28 2.08 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.83 0.00 31 V 8.52 3.80 1.88 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 0.74 0.00 0.00 0.88 0.00 0.00 32 V 7.31 4.44 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 0.71 0.00 0.00 0.85 0.00 0.00 33 P 0.00 4.04 0.00 1.94 1.98 0.00 3.60 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 34 G 7.99 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 0.00 0.00 0.00 35 H 7.62 4.58 0.00 3.09 3.17 0.00 5.72 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.67 4.58 2.45 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 0.77 0.00 0.00 1.07 0.00 0.00 37 L 8.54 5.18 0.00 1.18 1.22 0.57 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.23 4.40 1.81 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 0.82 0.00 0.00 0.77 0.00 0.00 39 C 8.12 5.09 0.00 2.23 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 40 P 0.00 4.77 0.00 2.27 2.13 0.00 4.06 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.07 0.00 41 L 9.20 4.42 0.00 1.81 1.86 0.98 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.93 4.28 0.00 1.81 1.98 0.00 3.25 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 43 P 0.00 4.28 0.00 2.24 2.22 0.00 3.83 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 44 V 7.59 4.35 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 0.89 0.00 0.00 0.95 0.00 0.00 45 E 8.46 4.42 0.00 2.01 1.95 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 2.24 2.26 0.00 46 R 7.44 4.83 0.00 1.43 1.62 0.00 3.40 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 47 F 9.68 4.49 0.00 2.99 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 H 8.02 4.20 0.00 3.21 3.38 0.00 5.59 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.28 4.65 0.00 2.76 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 50 L 7.45 4.56 0.00 1.73 1.65 1.28 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.90 4.18 0.00 2.12 1.86 0.00 3.13 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.96 0.00 52 P 0.00 4.47 0.00 2.15 2.06 0.00 3.58 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 2.09 2.10 0.00 53 D 7.96 4.42 0.00 2.89 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 54 E 8.14 4.03 0.00 2.11 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 0.00 2.44 2.40 0.00 55 V 7.72 3.97 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 1.16 0.00 0.00 0.97 0.00 0.00 56 A 7.86 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 57 D 8.37 4.31 0.00 2.87 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 58 L 8.44 3.88 0.00 1.93 1.84 0.71 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.02 4.22 0.00 3.38 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 60 Q 8.28 4.10 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 61 T 7.94 3.90 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 1.05 0.00 0.00 62 T 7.41 3.83 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 1.06 0.00 0.00 63 Q 7.66 3.95 0.00 2.27 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 64 R 7.97 4.15 0.00 2.25 2.29 0.00 3.28 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.92 0.00 65 V 8.34 4.19 2.26 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 1.27 0.00 0.00 0.87 0.00 0.00 66 G 8.15 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 67 T 7.87 3.96 4.47 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 1.19 0.00 0.00 68 V 7.62 3.29 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 0.37 0.00 0.00 0.45 0.00 0.00 69 V 7.72 3.75 2.32 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 0.90 0.00 0.00 1.05 0.00 0.00 70 E 8.14 4.00 0.00 2.20 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 71 K 7.49 3.80 0.00 1.98 1.67 0.00 1.73 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.41 7.81 72 H 8.00 3.86 0.00 2.29 2.80 0.00 5.83 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 7.92 4.47 0.00 3.20 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 H 7.55 3.94 0.00 3.27 3.32 0.00 5.80 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.77 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 76 T 9.03 4.66 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 77 S 7.66 4.75 0.00 3.75 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 78 L 8.53 4.76 0.00 1.49 0.75 1.10 0.56 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 79 T 8.08 4.59 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 1.14 0.00 0.00 80 F 8.55 5.36 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 81 S 8.34 4.64 0.00 3.85 3.67 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 82 M 8.86 4.84 0.00 1.97 1.90 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 2.41 2.45 0.00 83 Q 8.88 4.34 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.28 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 84 D 9.02 4.61 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 85 G 7.58 4.49 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 0.00 86 P 0.00 4.30 0.00 2.20 2.12 0.00 3.61 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 2.12 2.11 0.00 87 E 8.16 4.33 0.00 1.95 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 2.29 2.37 0.00 88 A 7.87 4.44 1.29 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 0.00 0.00 89 G 7.77 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 90 Q 7.76 4.04 0.00 2.37 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.70 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 91 T 8.68 4.36 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 1.28 0.00 0.00 92 V 7.45 4.12 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 0.51 0.00 0.00 0.25 0.00 0.00 93 K 8.23 4.50 0.00 1.80 1.79 0.00 1.60 0.00 0.00 1.72 0.00 0.00 3.20 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.39 7.81 94 H 7.32 4.97 0.00 2.85 2.89 0.00 5.73 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.14 3.94 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 0.86 0.00 0.00 1.06 0.00 0.00 96 N 8.26 4.59 0.00 2.67 2.94 0.00 0.00 6.09 7.68 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 97 V 8.42 3.95 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 0.98 0.00 0.00 0.48 0.00 0.00 98 H 9.21 5.22 0.00 3.10 3.22 0.00 5.62 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.82 4.41 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 0.70 0.00 0.00 1.05 0.00 0.00 100 L 8.28 4.92 0.00 1.47 1.38 0.86 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.59 0.00 1.90 1.98 0.00 3.44 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 1.90 2.07 0.00 102 R 9.71 4.92 0.00 1.53 1.75 0.00 3.16 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 103 K 9.05 4.85 0.00 1.57 1.65 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.37 7.81 104 A 8.74 3.82 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.62 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 0.00 106 D 7.40 4.77 0.00 2.73 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 *129 W 8.40 5.25 0.00 3.42 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 0.00 130 R 6.16 3.83 0.00 1.42 1.52 0.00 2.92 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.31 0.00 131 S 7.76 4.04 0.00 3.93 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 0.00 132 E 9.04 3.87 0.00 2.03 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 0.00 2.41 2.42 0.00 133 E 7.73 4.01 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 134 E 8.19 4.00 0.00 1.98 1.84 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 2.23 2.30 0.00 135 M 7.68 4.05 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 136 A 8.72 4.36 1.29 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 0.00 0.00 137 A 8.06 3.86 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 0.00 138 E 8.05 3.88 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 139 A 8.26 4.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 7.78 3.95 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 0.00 141 A 7.87 4.04 1.31 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 0.00 0.00 0.00 142 L 7.75 3.95 0.00 1.36 0.94 0.08 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.06 4.31 0.00 2.14 2.09 0.00 3.19 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.92 0.00 144 V 7.70 3.70 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 0.80 0.00 0.00 0.93 0.00 0.00 145 Y 7.84 4.15 0.00 2.82 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 0.00 146 F 7.45 4.85 0.00 3.11 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 7.92 4.24 0.00 2.32 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.55 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 * Residues marked with a * may have inaccurate shift predictions.