NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.4941 8.2033 121.9793 55.4600 30.6857 174.1200 4 L 4.6650 7.7655 119.8070 52.2013 45.0278 173.6195 5 Q 4.7408 9.3852 127.7298 54.3295 31.3733 175.1261 6 E 4.9514 8.7636 126.5317 56.2086 31.5535 175.5620 7 S 4.5620 8.6511 112.1826 57.3724 66.5726 172.8545 8 G 4.1436 10.3985 111.9027 42.9218 0.0000 178.3681 9 G 3.6616 8.7497 117.9943 44.4553 0.0000 171.3839 10 G 3.7231 9.8002 103.7588 44.7442 0.0000 171.2457 11 L 4.2658 7.5585 118.7226 53.7388 44.7015 172.6944 *14 P 4.1973 0.0000 0.0000 63.7623 32.0453 177.3176 15 G 3.8861 9.2961 112.4843 44.9258 0.0000 173.5818 16 G 3.8876 7.6238 106.9906 45.9589 0.0000 172.3835 17 S 5.1936 8.1446 114.0073 56.6533 65.2579 172.6749 18 L 4.3446 8.4776 124.0981 53.8734 45.9188 173.9431 19 R 4.7603 8.3036 125.4279 54.4162 31.8087 174.9424 20 L 4.4407 8.1578 127.3128 54.6337 43.1848 176.5553 21 S 5.3343 9.2673 117.6616 57.0511 67.7651 172.6180 22 C 5.1859 8.7147 120.9125 54.9557 41.5791 172.9976 23 A 4.2100 9.4071 130.1585 51.5790 18.7790 175.8161 24 A 4.8521 8.0132 124.7048 51.6262 20.2718 176.2902 25 S 4.2397 8.7606 113.7238 58.5064 65.8167 175.3346 26 G 4.0335 10.6353 112.8723 45.3997 0.0000 172.6613 27 F 4.8085 7.1534 112.0172 55.5575 40.7992 175.0736 28 A 4.3400 8.5252 124.7672 50.9049 16.3707 177.5001 29 F 3.7185 7.9320 126.2316 60.5554 39.8568 177.7478 30 S 4.3868 7.7048 112.6657 60.4368 62.7920 174.9961 31 G 3.9233 8.1040 107.5029 45.9255 0.0000 172.6753 32 Y 4.6923 7.7887 117.5038 56.1262 40.2812 175.2709 33 A 4.6851 8.5881 124.3181 51.9838 20.2578 176.4017 34 M 5.3334 9.3601 121.6630 53.7635 36.3717 174.7487 35 S 4.7737 9.1409 114.3354 57.0098 67.5291 172.5674 36 W 5.1003 8.9234 120.3152 54.8832 31.6724 175.2727 37 V 4.6941 9.2436 123.4277 60.9236 34.7443 174.3175 38 R 4.5023 8.7209 122.0839 54.3416 33.4120 174.1917 39 Q 4.7985 8.6943 120.8125 54.1340 31.5618 174.5426 40 A 4.5596 8.3713 129.4686 50.7529 19.4139 174.9600 41 P 4.4420 0.0000 0.0000 64.1289 31.7681 177.2185 42 G 3.9850 9.3432 110.4166 45.4393 0.0000 172.8008 43 K 4.6552 7.7064 116.9377 54.0451 36.0268 176.5256 44 G 3.9904 8.3626 109.7997 44.6838 0.0000 173.0175 45 L 4.5400 8.3791 119.4977 54.7076 42.2661 177.0407 46 E 4.9134 9.3127 121.1005 54.0289 33.1674 174.6466 47 W 4.0559 9.1694 133.1252 57.9569 31.3304 174.6994 48 V 3.9424 7.9166 127.0282 63.8210 32.4381 175.4047 49 S 3.9043 6.4393 112.3579 56.9242 66.9247 172.0414 50 G 3.3848 8.1588 106.0102 44.5100 0.0000 171.7687 51 I 5.1855 8.9518 123.3076 58.9427 40.9366 175.2437 52 N 5.2942 9.8187 127.2445 52.4478 39.5399 176.1317 53 R 3.9323 8.6461 119.7369 59.5917 30.1231 177.3827 54 D 4.4699 7.9760 115.7889 54.4310 39.8946 176.1575 55 G 3.8344 7.5537 106.8714 45.3062 0.0000 174.3020 56 S 4.4397 9.0203 117.0575 58.9290 63.3963 173.2234 57 T 5.1560 8.4790 115.2338 60.3190 72.0648 173.0647 58 S 4.7915 8.1759 116.4701 57.5892 67.7119 173.1646 59 Y 5.1835 8.5319 119.9569 56.2394 41.9903 175.2713 60 T 4.3936 8.5749 112.2997 61.5509 70.0238 175.1946 61 A 4.0250 9.0856 127.0193 55.3170 18.5146 177.1904 62 P 4.3631 0.0000 0.0000 65.4252 31.6446 178.2738 63 V 4.2020 6.9609 109.7186 60.5451 31.0999 176.9151 64 K 4.0276 7.6201 122.5366 58.4582 32.8808 177.3509 65 G 3.8066 7.6690 108.3706 46.4586 0.0000 174.6663 66 R 4.2065 7.8614 119.1048 58.8633 31.2473 176.8996 67 F 4.6447 8.1751 115.6981 57.4408 40.3578 175.4048 68 T 4.6050 8.5807 117.7747 62.1086 72.2848 172.7593 69 I 4.9756 9.3755 128.2899 60.1496 39.5780 174.6825 70 S 5.0297 8.9187 121.8201 57.5560 66.9659 172.8023 71 R 5.2803 8.6165 115.5967 54.8099 32.7039 174.2004 72 D 4.9806 9.5862 121.9083 52.7560 42.5587 176.3244 73 N 4.7536 9.0584 124.4367 55.7158 39.2786 177.9606 74 A 3.9101 8.3034 120.7051 54.9692 18.5021 178.1870 75 K 4.1322 8.6563 113.6355 55.5830 33.3200 175.6564 76 N 3.3364 7.8441 114.4181 55.0080 35.7094 173.3174 77 I 4.6842 7.4533 118.1852 59.1892 41.7618 175.9663 78 L 5.1031 8.2333 128.6512 53.8014 44.2231 174.7776 79 Y 5.4188 9.4412 123.1677 56.4128 42.0089 174.9649 80 L 4.5081 8.6790 122.8696 53.4063 44.8903 175.0091 81 Q 4.0099 9.0257 129.4180 55.8522 29.9743 174.3205 82 M 3.7344 8.7689 127.9731 53.5021 33.5197 175.3570 83 N 5.0207 7.5857 120.5000 51.1040 42.2203 174.2941 84 S 3.5690 8.3934 113.7522 59.4633 60.7027 173.4589 85 L 4.0634 7.7606 122.0183 55.1861 42.6523 176.2761 86 R 4.7171 8.3681 124.9471 54.2075 31.9556 175.6212 87 P 4.3174 0.0000 0.0000 65.6724 31.4535 178.8533 88 E 4.0885 8.1189 114.8210 58.9024 29.5546 177.5019 89 D 4.5315 7.9055 118.0413 55.7382 41.1955 176.2750 90 T 3.9910 7.6308 116.3619 64.6378 68.5322 172.8971 91 A 4.4726 8.6349 126.9347 51.2427 23.9124 174.9678 92 V 4.0106 8.3118 119.7498 62.2664 32.6175 174.5799 93 Y 4.6603 8.7821 127.4154 57.3923 39.1754 174.5314 94 Y 5.2925 9.7985 123.2990 56.4495 41.2198 173.8086 95 C 4.4270 9.7389 122.7145 54.6806 43.2355 172.5067 96 A 4.9735 8.2976 126.2969 50.1486 23.1035 175.3555 97 K 4.3917 8.3259 118.7270 56.0361 33.4076 176.0791 98 W 5.6421 9.3314 133.5259 56.0767 32.4382 175.5836 99 L 4.3288 9.0737 125.9342 54.0187 41.9980 176.5361 100 G 3.0827 6.5843 109.3727 45.5955 0.0000 175.2187 101 G 3.8020 7.7442 108.6412 45.9732 0.0000 174.5551 102 R 3.1618 8.8639 117.5574 55.1884 31.3990 174.2908 103 D 5.1984 8.0686 117.6038 52.3623 43.6862 175.3696 104 W 6.0691 7.8320 118.5533 55.4623 32.1664 172.9367 105 Y 4.6544 9.3193 116.2994 56.0402 40.9954 173.6300 106 D 4.3134 8.6936 117.4172 55.4084 38.2696 174.5924 107 R 4.0040 7.7382 117.6579 56.0584 31.2374 176.2957 108 G 4.0027 8.5161 114.3749 44.8430 0.0000 173.5375 109 Q 4.1000 7.9547 116.1714 57.5809 28.7703 177.6167 110 G 3.9293 9.0477 102.2822 44.8239 0.0000 172.2955 111 T 4.6849 8.3060 108.1630 59.5982 72.6147 172.8237 112 Q 4.5360 8.6334 125.3271 55.7120 30.6299 175.8872 113 V 4.5388 8.4169 119.1300 60.6393 32.1515 175.7373 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 3 Q 8.20 4.49 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.60 0.00 4 L 7.77 4.66 0.00 1.63 1.48 0.89 0.64 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 5 Q 9.39 4.74 0.00 2.19 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 6 E 8.76 4.95 0.00 1.96 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 2.54 2.37 0.00 7 S 8.65 4.56 0.00 3.86 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 8 G 10.40 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 0.00 0.00 0.00 0.00 9 G 8.75 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 0.00 0.00 0.00 10 G 9.80 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.56 4.27 0.00 1.52 1.52 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 *14 P 0.00 4.20 0.00 2.09 2.01 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.08 0.00 15 G 9.30 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 16 G 7.62 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 17 S 8.14 5.19 0.00 3.75 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 4.34 0.00 1.57 1.16 0.81 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.30 4.76 0.00 1.79 1.72 0.00 3.22 0.00 0.00 3.29 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 20 L 8.16 4.44 0.00 0.89 1.27 0.20 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.27 5.33 0.00 3.75 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 22 C 8.71 5.19 0.00 2.79 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 23 A 9.41 4.21 1.21 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 0.00 0.00 24 A 8.01 4.85 0.80 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 25 S 8.76 4.24 0.00 3.80 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 26 G 10.64 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 27 F 7.15 4.81 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 28 A 8.53 4.34 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 29 F 7.93 3.72 0.00 2.43 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 30 S 7.70 4.39 0.00 4.05 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 0.00 31 G 8.10 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 32 Y 7.79 4.69 0.00 3.17 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 33 A 8.59 4.69 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 0.00 0.00 34 M 9.36 5.33 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 35 S 9.14 4.77 0.00 3.83 3.68 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 36 W 8.92 5.10 0.00 3.09 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 37 V 9.24 4.69 1.66 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 -0.06 0.00 0.00 0.10 0.00 0.00 38 R 8.72 4.50 0.00 0.85 0.94 0.00 2.40 0.00 0.00 2.61 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.26 0.00 39 Q 8.69 4.80 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.01 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 40 A 8.37 4.56 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 41 P 0.00 4.44 0.00 2.07 2.03 0.00 3.73 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 2.04 2.10 0.00 42 G 9.34 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 43 K 7.71 4.66 0.00 1.87 1.69 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.37 7.81 44 G 8.36 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 45 L 8.38 4.54 0.00 1.83 1.70 0.97 0.54 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 46 E 9.31 4.91 0.00 2.01 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 2.30 2.15 0.00 47 W 9.17 4.06 0.00 3.73 3.34 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 0.00 0.00 0.00 48 V 7.92 3.94 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 0.70 0.00 0.00 0.67 0.00 0.00 49 S 6.44 3.90 0.00 3.65 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 50 G 8.16 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 51 I 8.95 5.19 1.90 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 1.32 1.95 0.99 0.00 0.00 52 N 9.82 5.29 0.00 3.19 2.85 0.00 0.00 6.26 8.14 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 53 R 8.65 3.93 0.00 1.78 1.98 0.00 3.30 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 54 D 7.98 4.47 0.00 2.86 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 55 G 7.55 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 56 S 9.02 4.44 0.00 3.98 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 T 8.48 5.16 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 1.33 0.00 0.00 58 S 8.18 4.79 0.00 3.99 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 59 Y 8.53 5.18 0.00 2.86 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 60 T 8.57 4.39 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 1.59 0.00 0.00 61 A 9.09 4.03 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 62 P 0.00 4.36 0.00 1.95 2.10 0.00 3.58 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 2.02 2.13 0.00 63 V 6.96 4.20 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 -0.34 0.00 0.00 0.71 0.00 0.00 64 K 7.62 4.03 0.00 1.92 1.74 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.18 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.52 7.81 65 G 7.67 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 66 R 7.86 4.21 0.00 2.00 2.24 0.00 3.14 0.00 0.00 3.51 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 67 F 8.18 4.64 0.00 2.83 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 68 T 8.58 4.60 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 1.27 0.00 0.00 69 I 9.38 4.98 2.04 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 1.45 1.30 0.82 0.00 0.00 70 S 8.92 5.03 0.00 4.05 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 71 R 8.62 5.28 0.00 2.10 2.07 0.00 3.06 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 72 D 9.59 4.98 0.00 3.07 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 73 N 9.06 4.75 0.00 2.90 2.97 0.00 0.00 6.94 7.17 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 74 A 8.30 3.91 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 75 K 8.66 4.13 0.00 1.65 1.97 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.34 7.81 76 N 7.84 3.34 0.00 2.57 2.08 0.00 0.00 6.85 7.47 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 77 I 7.45 4.68 1.58 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.85 -0.16 0.00 0.00 78 L 8.23 5.10 0.00 1.96 1.47 1.15 0.50 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 79 Y 9.44 5.42 0.00 2.95 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 80 L 8.68 4.51 0.00 0.27 0.41 0.99 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 9.03 4.01 0.00 2.10 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.56 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 82 M 8.77 3.73 0.00 0.85 1.44 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.18 0.00 83 N 7.59 5.02 0.00 2.66 2.59 0.00 0.00 7.20 7.45 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 84 S 8.39 3.57 0.00 3.97 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 85 L 7.76 4.06 0.00 1.79 1.50 0.98 0.85 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 86 R 8.37 4.72 0.00 2.13 1.83 0.00 3.20 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 87 P 0.00 4.32 0.00 2.18 2.11 0.00 3.61 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 2.12 2.08 0.00 88 E 8.12 4.09 0.00 2.08 2.10 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 2.29 2.34 0.00 89 D 7.91 4.53 0.00 2.99 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 90 T 7.63 3.99 4.34 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 0.00 0.00 1.24 0.00 0.00 91 A 8.63 4.47 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 92 V 8.31 4.01 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 0.47 0.00 0.00 0.98 0.00 0.00 93 Y 8.78 4.66 0.00 2.94 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 94 Y 9.80 5.29 0.00 2.67 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 95 C 9.74 4.43 0.00 1.89 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 96 A 8.30 4.97 1.28 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 97 K 8.33 4.39 0.00 0.79 1.25 0.00 1.02 0.00 0.00 1.05 0.00 0.00 2.13 0.00 0.00 2.14 0.00 0.00 0.00 0.00 1.07 0.93 7.81 98 W 9.33 5.64 0.00 3.36 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 99 L 9.07 4.33 0.00 1.84 1.56 0.83 0.56 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 0.00 100 G 6.58 3.08 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 0.00 0.00 0.00 101 G 7.74 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 0.00 102 R 8.86 3.16 0.00 1.64 1.75 0.00 3.22 0.00 0.00 3.46 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.28 0.00 103 D 8.07 5.20 0.00 2.53 2.40 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 0.00 104 W 7.83 6.07 0.00 3.49 3.48 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 0.00 105 Y 9.32 4.65 0.00 3.11 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 0.00 106 D 8.69 4.31 0.00 2.46 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 0.00 107 R 7.74 4.00 0.00 1.96 1.86 0.00 2.47 0.00 0.00 3.09 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 108 G 8.52 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 0.00 0.00 0.00 109 Q 7.95 4.10 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.50 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 110 G 9.05 3.93 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 0.00 111 T 8.31 4.68 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 1.25 0.00 0.00 112 Q 8.63 4.54 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 113 V 8.42 4.54 1.87 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 0.50 0.00 0.00 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.