NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 S 4.5001 8.3193 117.0992 57.8081 64.2929 173.2343 2 S 4.5589 7.9220 115.2251 56.8736 66.4825 171.3478 3 T 4.4186 8.1942 117.4005 62.9699 70.3828 175.0801 4 H 5.2197 8.1056 117.9035 54.1785 32.1892 172.4178 5 R 4.3959 8.8361 118.8059 54.6421 33.5155 173.4779 6 K 4.9940 8.3435 127.0876 55.1388 33.9355 175.3157 7 F 4.7545 9.6531 124.9055 57.1519 43.1393 175.6156 8 G 4.2616 9.2240 107.8002 44.3837 0.0000 171.1171 9 G 4.3058 7.8962 108.0439 43.4784 0.0000 174.1539 10 S 4.4701 8.4375 117.5196 58.1300 63.1315 174.2946 11 G 3.7264 7.0232 110.1712 45.0192 0.0000 173.7427 12 G 3.9485 8.6402 106.6252 44.9556 0.0000 172.1088 13 S 4.9873 8.5163 113.1960 55.3468 64.7632 171.9203 14 P 5.0644 0.0000 0.0000 63.2307 32.0447 175.1423 15 F 5.1078 8.8675 115.7213 55.6885 41.8513 173.1092 16 S 5.1933 8.7691 115.3165 56.8903 64.5476 174.9083 16A G 3.8666 9.0677 110.9934 46.7334 0.0000 175.0547 16B S 3.8958 8.2354 114.8209 56.6992 62.2604 170.3002 17 G 3.7385 8.5112 108.4184 46.2943 0.0000 174.3487 18 L 4.2476 8.0562 124.1225 53.6111 40.3605 175.8386 19 S 4.8968 8.9739 118.9690 59.4689 65.3182 174.0983 20 S 5.4311 8.0966 112.1889 57.2678 66.5074 173.4944 21 I 5.0814 9.1474 121.6989 59.9556 41.6770 174.0823 22 A 5.2462 9.2205 126.7925 50.5979 23.4301 174.9308 23 V 4.8914 8.9374 111.2490 59.8904 36.6008 175.0155 24 R 5.1535 8.9287 121.3692 55.5435 32.1828 174.8398 25 S 4.9987 8.9082 116.1713 58.8152 66.6387 175.8041 26 G 3.7568 6.6538 112.8747 44.1511 0.0000 173.5478 27 S 4.1415 8.2091 114.2747 61.0296 62.7249 173.6826 28 Y 5.2390 6.2347 118.2068 57.1104 45.1888 173.3736 29 L 4.7889 8.9387 120.1736 53.4110 42.9572 177.2161 30 D 4.7354 9.4850 125.2571 57.2286 42.1344 176.4023 31 A 4.9459 7.7362 117.0552 50.8990 22.8118 174.9204 32 I 4.8703 8.6233 119.7771 59.1704 41.5010 174.4429 33 I 4.7945 9.0333 129.4069 59.6843 39.9796 174.4248 34 I 4.7571 8.4181 128.4010 59.8350 39.9753 175.9595 35 D 4.5120 9.4253 127.2915 54.3712 38.8390 175.0469 36 G 3.8788 8.5164 104.7521 45.5237 0.0000 173.9271 37 V 4.1399 7.6451 120.7205 60.9615 32.7386 174.2582 38 H 4.4810 8.5353 127.3048 55.8731 30.5440 174.2173 39 H 4.4575 9.1330 123.3936 57.5023 30.3401 171.7126 40 G 4.0662 8.2159 112.8336 44.1426 0.0000 170.2159 41 G 4.2983 8.2439 110.9254 43.6883 0.0000 173.7436 42 S 4.6060 8.3432 113.7985 57.7659 63.6672 174.3648 43 G 3.8142 7.8646 110.0396 45.8618 0.0000 175.8290 44 G 3.8899 8.2579 107.2307 45.8736 0.0000 173.1499 45 N 4.9873 8.9695 120.1049 51.2821 41.0400 174.5984 46 L 4.7958 8.4365 125.5835 54.1389 43.5457 176.1160 47 S 4.2342 8.6568 117.8913 57.1058 63.7557 172.2656 48 P 4.4948 0.0000 0.0000 63.2997 32.0114 176.0474 49 T 4.5319 8.4095 118.6320 63.1733 69.6380 174.0343 50 F 4.4733 9.5319 129.7998 57.4181 40.8044 174.3234 51 T 4.9518 7.8208 123.3267 61.6720 69.8516 174.6614 52 F 4.3439 9.3209 126.8631 57.5247 39.9216 176.2463 53 G 3.9690 9.7369 112.9602 44.3413 0.0000 174.3926 54 S 4.1107 8.7739 114.9823 61.4796 62.5990 176.5564 55 G 4.2254 7.8894 104.0600 44.7622 0.0000 172.0729 56 E 4.3134 8.1678 120.7768 56.7717 30.2614 175.6126 57 Y 4.9636 8.8177 122.4481 55.4355 42.3987 173.9066 58 I 4.5242 8.4972 121.6835 61.6144 37.8049 176.5898 59 S 5.6208 9.2556 121.2387 57.9365 65.3954 173.6545 60 N 5.4791 7.9358 117.9149 52.1616 43.1730 173.0204 61 M 5.2975 9.2124 122.4375 54.2178 36.4600 173.6394 62 T 5.1126 9.0420 121.8877 61.7989 72.1610 172.9018 63 I 4.9232 8.6015 126.6595 59.4775 40.6966 174.5352 64 R 5.2492 8.7902 126.0576 54.7220 32.3234 175.5274 65 S 5.1605 9.2120 117.3194 57.7848 67.1293 176.1980 66 G 4.3524 9.4312 111.1878 45.9683 0.0000 175.9042 67 D 4.3130 9.4428 128.9391 55.9753 41.8122 174.0242 68 Y 4.9227 7.6439 115.0486 55.5067 41.9318 174.0499 69 I 4.2277 8.6960 122.4783 61.9765 37.4004 176.8269 70 D 4.8096 9.4817 127.5303 55.9822 42.8453 176.1009 71 N 5.3758 7.8428 114.5226 52.5990 42.7245 173.4196 72 I 5.3098 8.9037 124.4797 59.9010 41.8986 174.4007 73 S 5.2128 9.1175 119.1505 57.3876 66.8240 172.6234 74 F 5.4487 8.7974 115.2921 56.0384 41.6541 172.3573 75 E 5.3682 9.6330 120.2888 54.7480 33.2260 174.6719 76 T 5.2451 8.7067 115.1111 59.5845 71.6650 175.0616 77 N 4.1817 8.4377 119.0231 55.3691 37.1122 175.8014 78 M 4.1753 7.9816 116.8151 55.3078 32.5468 176.7868 79 G 3.9094 8.4107 107.6479 45.4751 0.0000 173.8562 80 R 4.5761 7.7060 118.4942 55.5471 31.9415 175.6484 81 R 5.0911 8.5102 118.0943 54.6323 34.4334 174.5951 82 F 4.4329 8.4435 123.8810 57.6020 42.6342 175.9722 83 G 2.9280 7.6540 114.1397 43.3152 0.0000 170.9039 84 P 4.3654 0.0000 0.0000 62.7680 32.1385 174.9567 85 Y 4.7100 8.8224 117.0821 56.3799 41.6544 174.0320 86 G 4.6925 8.2227 106.3909 43.5753 0.0000 175.9195 87 G 4.3758 8.3823 109.0770 45.1042 0.0000 177.1297 88 S 4.4295 8.6108 116.1703 55.7311 61.5941 174.0515 89 G 3.8912 7.8313 108.0738 46.8721 0.0000 172.7275 90 G 3.9094 8.3056 106.1822 45.4424 0.0000 173.0024 91 S 4.6842 8.3099 113.5912 57.8984 64.5194 173.5402 92 A 5.2533 8.4577 123.8324 50.7582 20.9476 176.2154 93 N 5.1311 9.2050 117.7360 52.0072 43.5664 173.5826 94 T 4.9855 8.5822 118.8636 61.7588 71.5423 173.6605 95 L 4.2989 9.0474 127.1895 53.9728 42.7102 175.6707 96 S 5.0398 8.5256 120.5473 56.9144 64.5927 174.5635 97 N 4.1952 9.0279 122.8050 55.1220 36.2092 172.3796 98 V 4.7767 8.0581 111.6863 59.3419 36.7126 176.0705 99 K 4.9412 8.9935 122.0962 54.8322 34.4833 175.5694 100 V 4.4029 8.8075 129.3153 62.9525 31.3849 175.5878 101 I 4.4064 8.9260 121.3570 61.6664 39.7543 175.9092 102 Q 4.6212 7.9842 119.7999 54.3126 33.6073 174.0810 103 I 4.7303 8.5035 122.6348 60.0733 40.2652 174.4211 104 N 4.8116 8.7894 125.2087 51.5089 42.1779 173.8945 105 G 3.3846 6.4243 104.4679 45.9489 0.0000 171.5852 106 S 5.2615 8.1233 113.0304 56.8620 66.0954 174.1630 107 A 5.3439 8.8041 126.7902 51.1981 23.2142 176.8218 108 G 4.5597 9.6245 106.3769 46.9143 0.0000 174.9803 109 D 4.5390 9.6724 128.9350 54.2198 40.5380 175.2911 110 Y 5.1679 7.5339 116.7474 56.5598 42.3341 173.2560 111 L 4.8025 8.8410 123.0106 54.3931 42.1733 176.7377 112 D 4.3903 9.1311 128.1648 57.0881 41.9628 176.8027 113 S 5.0032 7.8741 110.4530 57.2667 66.5904 173.1704 114 L 5.2646 9.1581 120.3630 53.0576 45.9736 175.3420 115 D 5.3121 9.2953 122.3285 52.8222 43.7466 174.3478 116 I 4.9337 8.9404 128.4304 60.1657 39.1939 174.5386 117 Y 5.0350 9.1369 125.7287 56.7399 40.0047 174.4650 118 Y 5.3147 8.6757 120.5407 56.1350 42.0948 173.1136 119 D 5.0476 9.1692 121.6054 52.8659 43.0119 176.7683 120 N 4.6923 8.6597 118.9759 53.2558 37.6221 174.8647 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 S 8.32 4.50 0.00 3.59 3.71 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 2 S 7.92 4.56 0.00 3.94 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 3 T 8.19 4.42 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 0.94 0.00 0.00 4 H 8.11 5.22 0.00 2.34 2.10 0.00 5.68 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.84 4.40 0.00 1.95 1.85 0.00 2.88 0.00 0.00 2.98 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.71 0.00 6 K 8.34 4.99 0.00 1.72 1.55 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.71 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.55 7.81 7 F 9.65 4.75 0.00 2.87 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 8 G 9.22 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 0.00 0.00 0.00 0.00 9 G 7.90 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 0.00 0.00 0.00 0.00 10 S 8.44 4.47 0.00 3.95 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 11 G 7.02 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.64 3.95 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 0.00 13 S 8.52 4.99 0.00 3.92 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.06 0.00 2.09 2.01 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 15 F 8.87 5.11 0.00 2.99 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 16 S 8.77 5.19 0.00 3.78 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 16A G 9.07 3.87 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 0.00 0.00 0.00 16B S 8.24 3.90 0.00 4.04 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 17 G 8.51 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 18 L 8.06 4.25 0.00 1.27 1.09 0.77 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.97 4.90 0.00 3.99 3.96 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 20 S 8.10 5.43 0.00 3.94 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 21 I 9.15 5.08 1.80 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 1.24 0.82 0.79 0.00 0.00 22 A 9.22 5.25 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 23 V 8.94 4.89 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 0.97 0.00 0.00 0.73 0.00 0.00 24 R 8.93 5.15 0.00 1.75 2.00 0.00 3.17 0.00 0.00 3.54 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.37 0.00 25 S 8.91 5.00 0.00 3.97 3.86 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 26 G 6.65 3.76 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 0.00 0.00 0.00 27 S 8.21 4.14 0.00 3.11 3.70 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 28 Y 6.23 5.24 0.00 3.28 3.20 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 29 L 8.94 4.79 0.00 1.99 1.82 1.06 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 30 D 9.48 4.74 0.00 2.83 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 31 A 7.74 4.95 1.11 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 0.00 0.00 32 I 8.62 4.87 1.97 0.00 0.00 1.00 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 1.93 0.94 0.00 0.00 33 I 9.03 4.79 1.86 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 1.04 0.55 0.95 0.00 0.00 34 I 8.42 4.76 1.96 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.82 1.00 0.00 0.00 35 D 9.43 4.51 0.00 2.81 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 36 G 8.52 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 0.00 0.00 0.00 37 V 7.65 4.14 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 0.82 0.00 0.00 1.02 0.00 0.00 38 H 8.54 4.48 0.00 3.05 3.09 0.00 5.92 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 H 9.13 4.46 0.00 2.61 2.09 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.22 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 41 G 8.24 4.30 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 0.00 42 S 8.34 4.61 0.00 3.91 3.87 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 43 G 7.86 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 44 G 8.26 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 45 N 8.97 4.99 0.00 2.61 2.69 0.00 0.00 7.05 6.29 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 46 L 8.44 4.80 0.00 1.61 1.53 0.98 0.97 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 47 S 8.66 4.23 0.00 2.98 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 48 P 0.00 4.49 0.00 2.07 2.09 0.00 3.70 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 2.10 2.16 0.00 49 T 8.41 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 1.27 0.00 0.00 50 F 9.53 4.47 0.00 3.09 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.82 4.95 4.14 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 1.28 0.00 0.00 52 F 9.32 4.34 0.00 3.11 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 53 G 9.74 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 54 S 8.77 4.11 0.00 3.90 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 55 G 7.89 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 56 E 8.17 4.31 0.00 2.10 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.53 0.00 57 Y 8.82 4.96 0.00 2.99 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 58 I 8.50 4.52 1.76 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.31 0.89 0.00 0.00 59 S 9.26 5.62 0.00 3.95 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 60 N 7.94 5.48 0.00 2.66 2.72 0.00 0.00 6.51 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 61 M 9.21 5.30 0.00 1.97 1.81 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.44 0.00 62 T 9.04 5.11 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 1.26 0.00 0.00 63 I 8.60 4.92 1.11 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 1.00 0.38 0.73 0.00 0.00 64 R 8.79 5.25 0.00 1.79 2.05 0.00 3.15 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 65 S 9.21 5.16 0.00 4.06 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 66 G 9.43 4.35 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 0.00 67 D 9.44 4.31 0.00 2.81 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 68 Y 7.64 4.92 0.00 2.82 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 69 I 8.70 4.23 2.04 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.98 1.01 0.00 0.00 70 D 9.48 4.81 0.00 2.81 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 71 N 7.84 5.38 0.00 2.92 2.62 0.00 0.00 6.97 7.79 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 72 I 8.90 5.31 2.10 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.87 1.18 0.00 0.00 73 S 9.12 5.21 0.00 3.83 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 74 F 8.80 5.45 0.00 3.17 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 75 E 9.63 5.37 0.00 2.05 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 2.24 2.32 0.00 76 T 8.71 5.25 4.48 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 1.51 0.00 0.00 77 N 8.44 4.18 0.00 2.52 1.85 0.00 0.00 6.96 7.28 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 78 M 7.98 4.18 0.00 2.04 2.35 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.47 0.00 79 G 8.41 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 0.00 0.00 0.00 80 R 7.71 4.58 0.00 2.22 2.12 0.00 3.00 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 81 R 8.51 5.09 0.00 1.60 1.68 0.00 3.13 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 82 F 8.44 4.43 0.00 1.59 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 83 G 7.65 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 0.00 0.00 0.00 84 P 0.00 4.37 0.00 2.08 1.92 0.00 3.43 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 85 Y 8.82 4.71 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 86 G 8.22 4.69 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 0.00 0.00 0.00 87 G 8.38 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 0.00 0.00 0.00 0.00 88 S 8.61 4.43 0.00 3.99 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 89 G 7.83 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 90 G 8.31 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 0.00 0.00 0.00 91 S 8.31 4.68 0.00 3.86 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 92 A 8.46 5.25 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 93 N 9.21 5.13 0.00 2.98 2.87 0.00 0.00 6.68 6.56 0.00 0.00 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 T 8.58 4.99 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 1.25 0.00 0.00 95 L 9.05 4.30 0.00 1.37 1.14 0.71 0.53 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 96 S 8.53 5.04 0.00 3.74 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 97 N 9.03 4.20 0.00 2.88 2.91 0.00 0.00 6.85 7.93 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 98 V 8.06 4.78 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 0.65 0.00 0.00 0.90 0.00 0.00 99 K 8.99 4.94 0.00 1.39 1.47 0.00 0.79 0.00 0.00 1.21 0.00 0.00 2.16 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.02 0.42 7.81 100 V 8.81 4.40 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 0.87 0.00 0.00 0.97 0.00 0.00 101 I 8.93 4.41 1.83 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 1.38 0.87 0.92 0.00 0.00 102 Q 7.98 4.62 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 103 I 8.50 4.73 1.95 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 1.38 1.25 1.04 0.00 0.00 104 N 8.79 4.81 0.00 2.62 2.69 0.00 0.00 6.45 7.13 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 0.00 105 G 6.42 3.38 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 0.00 106 S 8.12 5.26 0.00 3.83 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 0.00 107 A 8.80 5.34 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 0.00 108 G 9.62 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.67 4.54 0.00 2.49 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 0.00 110 Y 7.53 5.17 0.00 3.19 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 0.00 111 L 8.84 4.80 0.00 1.94 1.88 1.27 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 112 D 9.13 4.39 0.00 2.94 2.51 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 0.00 113 S 7.87 5.00 0.00 4.00 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 0.00 114 L 9.16 5.26 0.00 1.70 1.65 0.98 1.41 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 0.00 115 D 9.30 5.31 0.00 2.64 2.61 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 0.00 116 I 8.94 4.93 2.14 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 1.51 0.83 1.03 0.00 0.00 117 Y 9.14 5.03 0.00 2.98 2.90 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 0.00 118 Y 8.68 5.31 0.00 3.10 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 0.00 119 D 9.17 5.05 0.00 2.58 2.60 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 0.00 0.00 0.00 0.00 120 N 8.66 4.69 0.00 2.92 2.97 0.00 0.00 5.99 7.56 0.00 0.00 0.00 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.