NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4185 8.3344 115.4180 56.8527 64.3283 172.5638 3 N 4.5224 8.5079 125.2214 52.1816 40.6181 172.5444 4 T 4.1655 8.7466 120.0608 64.2268 69.9179 173.7343 5 L 4.9316 8.6342 121.1068 53.9548 44.3261 176.5678 6 F 4.7710 7.6594 117.8373 57.5903 42.4377 171.8670 7 D 4.7972 7.7909 124.0800 52.5737 44.5920 173.3505 8 D 4.2444 7.9320 122.0495 54.1206 46.0239 174.2363 9 I 4.9676 7.5433 121.4775 59.5257 40.1145 175.0054 10 F 5.2841 9.3371 124.0455 55.6561 43.6435 173.9060 11 Q 4.8298 9.2388 122.4696 54.0602 30.8503 174.9614 12 V 4.2374 8.3815 127.1441 63.8200 32.4561 176.1681 13 S 4.7464 8.9853 119.4139 57.4014 64.9217 173.3788 14 E 4.6602 7.8528 118.3483 55.7999 32.5216 174.4228 15 V 4.4602 8.5711 127.3007 60.6233 33.9098 175.5879 16 D 4.5081 8.3983 122.3247 51.8298 43.4645 173.2491 17 P 4.8145 0.0000 0.0000 61.3244 30.4946 178.4927 18 G 3.7421 7.6270 112.5566 47.2698 0.0000 171.5005 19 R 3.7318 7.7026 115.9654 57.7267 28.0724 175.8110 20 Y 5.1232 7.6574 113.4881 56.6249 41.0003 174.9394 21 N 5.2226 8.5619 114.9084 52.8022 40.0937 175.5274 22 K 4.7540 8.0009 115.5337 56.7423 38.8363 175.6585 23 V 5.1014 7.8304 118.3172 61.4878 35.2929 174.5749 24 C 5.4133 8.5540 121.5973 58.5492 32.9823 173.1965 25 R 4.6187 8.8576 125.0514 56.0431 31.1132 174.5875 26 I 4.8442 9.2126 127.2562 59.1498 41.0780 173.5195 27 E 5.2128 8.6915 129.0805 54.7582 32.5529 174.3160 28 A 5.1843 8.8708 125.9142 51.2327 23.7488 174.7067 29 A 5.2924 8.7848 119.4324 50.0432 22.7513 175.9378 30 S 4.1104 8.5843 116.7358 58.4145 62.8599 174.4256 31 T 4.2278 8.2548 115.5793 62.7646 69.0691 174.7339 32 T 4.2835 7.5213 117.0285 65.1259 70.2331 174.3220 33 Q 4.4926 7.6842 118.9869 54.4894 29.8021 176.0045 34 D 4.5232 8.7724 123.5589 56.7854 41.6898 176.4133 35 Q 4.4444 7.8480 117.6892 55.5887 29.2994 175.5005 36 C 5.4046 8.1448 119.8015 59.6650 34.7740 172.5811 37 K 5.2956 8.7803 124.9752 55.1558 36.3010 174.4701 38 L 5.0133 8.7714 121.1991 53.9403 46.0323 174.6297 39 T 5.1874 8.6165 121.3993 61.9072 72.3316 172.7012 40 L 5.0669 9.2604 127.1999 53.8053 46.3391 174.1824 41 D 5.2095 8.8002 125.5325 53.4894 41.8633 175.8912 42 I 4.4775 8.4175 125.0406 59.2794 40.3661 175.4933 43 N 5.3769 10.1165 126.7241 53.1150 37.0592 175.1192 44 V 3.9017 8.2985 121.3007 63.5609 32.0943 176.1920 45 E 4.3342 8.6865 119.8225 57.6429 30.3495 176.7172 46 L 4.4702 8.3885 117.7728 56.3878 42.5377 177.4137 47 F 4.9485 7.8840 122.2455 55.0668 38.7959 172.2525 48 P 4.3568 0.0000 0.0000 61.3874 32.0499 176.2895 49 V 4.0473 7.7986 120.2914 60.9316 33.8389 175.1141 50 A 4.2525 8.6723 130.3340 50.9008 19.6876 176.3812 51 A 4.1408 8.1970 122.3720 52.4720 19.0687 178.0358 52 Q 3.3962 8.1189 115.0272 56.6666 27.7078 174.1041 53 D 4.6869 7.7146 118.3812 54.9757 42.4607 176.2240 54 S 5.0466 8.3140 113.9966 57.0794 64.3138 172.7071 55 L 4.8221 8.4447 126.3496 53.7597 44.1450 175.8857 56 T 4.6004 8.3547 120.0905 63.3920 70.0455 174.0044 57 V 5.0966 8.9888 125.0736 61.7559 35.4130 174.2368 58 T 5.2200 8.7829 122.2619 62.3446 73.7828 172.6671 59 I 4.9435 8.9718 125.0571 59.9683 40.0071 175.1188 60 A 4.9173 8.4346 130.6698 50.3703 22.3948 176.9948 61 S 5.2163 7.9384 110.1441 56.3705 62.4193 175.0379 62 S 4.3856 7.5142 121.3518 59.4722 67.3913 178.7494 63 L 4.0582 8.4384 114.0369 54.7528 39.1095 176.4890 *76 T 4.1174 7.3480 111.9189 61.5501 68.8069 173.4153 77 R 4.1227 8.4992 127.6727 55.6088 30.8171 176.6373 78 S 4.1400 8.6778 116.5372 58.5244 63.0701 174.9539 79 W 4.3050 8.6278 132.5099 56.6913 28.8808 175.0455 80 R 3.7687 8.1744 123.0699 55.2065 30.1001 175.2330 81 P 3.2835 0.0000 0.0000 62.1286 31.5955 174.3273 82 P 4.4713 0.0000 0.0000 62.3128 33.4417 176.6157 83 Q 4.5455 7.7647 114.9978 55.1089 30.1908 175.3175 84 A 4.0287 7.9818 123.1984 54.5486 19.4529 179.2051 85 G 3.8345 7.9905 101.5893 46.3446 0.0000 173.4035 86 D 4.7112 7.8002 118.1484 54.2650 42.9924 176.8264 87 R 4.6361 7.3929 118.9501 56.0216 30.8290 177.2276 88 S 4.5489 8.2835 116.5121 57.1429 62.5372 174.7838 89 L 3.8933 8.3676 126.9259 56.1279 40.6626 177.3367 90 A 3.9025 7.2459 119.1488 52.9723 16.7927 176.0170 91 D 5.0869 8.0136 113.1087 50.0702 42.1243 175.3862 92 D 4.3853 8.2138 116.9989 53.4946 38.9566 173.6039 93 Y 4.5537 8.0420 115.4820 57.4714 39.7051 175.7390 94 D 4.6099 8.4722 121.3111 57.2532 41.9002 176.8025 95 Y 4.3876 7.4945 118.4759 56.4952 42.1943 173.7032 96 V 4.6469 7.7261 126.7669 62.1282 34.3808 173.4991 97 M 4.6365 8.7918 127.4946 53.5525 35.7851 174.5107 98 Y 4.6290 8.6639 120.7809 56.2799 40.8924 174.0895 99 G 3.6240 8.1800 114.7497 44.3009 0.0000 170.8036 100 T 4.7893 8.4409 114.8468 61.4672 72.4039 173.3788 101 A 4.4486 7.9143 127.0009 50.9925 19.5709 176.7868 102 Y 4.7486 7.8312 118.8342 56.3882 39.6859 175.5350 103 K 4.4899 6.6658 119.4121 55.5258 35.8306 173.8592 104 F 4.8773 8.9392 123.9550 55.7099 42.0305 173.8107 105 E 4.6156 9.0314 125.5925 54.1416 31.8422 175.0244 106 E 4.3630 8.8237 127.1370 56.0402 28.9619 177.3224 107 V 3.8133 8.2682 123.2902 62.7078 31.5707 173.9848 108 S 5.1591 7.6044 116.0360 59.9702 65.3616 168.8399 109 K 4.1645 9.3449 117.5342 53.9790 28.8792 177.9834 110 D 4.4570 8.9102 121.6215 52.1863 37.6375 174.1822 111 L 6.0670 6.2804 129.3546 55.5555 45.9608 174.2131 112 I 5.0214 7.7362 124.8786 59.1614 40.7465 174.5946 113 A 5.0352 8.9170 127.8797 50.1065 22.2181 175.3009 114 V 4.2533 8.1145 114.2268 59.4885 35.3267 174.2932 115 Y 4.7301 7.1963 120.7760 56.2370 40.4372 174.4193 116 Y 5.1135 9.1864 121.5213 56.0660 42.1970 174.4300 117 S 4.8532 9.2339 118.3638 56.7786 65.2159 173.0587 118 F 4.6349 9.4703 128.4061 56.1660 38.2690 176.2041 119 G 3.7777 9.3651 115.9062 46.2262 0.0000 171.6197 120 G 3.8951 8.0573 107.4268 44.7096 0.0000 174.1197 121 L 4.3084 7.9145 120.3011 54.5778 42.4262 176.7174 122 L 5.2912 10.4866 125.2024 54.1064 44.4754 175.6545 123 M 5.3650 9.2596 120.1933 54.4009 36.3802 173.4303 124 R 4.6836 9.0566 125.9001 54.3419 33.2695 173.5127 125 L 4.9073 8.2111 128.0686 53.0965 45.4893 174.5820 126 E 5.0546 8.7484 125.3136 53.5863 33.2393 172.8255 127 G 4.0774 9.3655 118.1396 45.8573 0.0000 172.3916 128 N 4.6665 8.9556 126.3102 54.4051 45.3906 175.5439 129 Y 4.2347 8.5330 114.3164 59.2345 36.9346 176.3285 130 R 2.8852 7.0477 117.2541 58.7581 30.5309 180.2268 131 N 3.4880 6.7523 112.5853 55.2084 40.3652 176.4748 132 L 4.1250 9.0515 117.8527 55.1275 42.0385 177.6761 133 N 4.9308 9.2002 115.1868 53.4712 42.7093 174.1982 134 N 4.8853 7.3815 115.8451 51.7906 38.0584 174.5730 135 L 4.2061 8.0668 122.5068 53.8035 42.5674 178.6280 136 K 3.6086 8.2085 119.5020 56.4701 30.5647 176.2802 137 Q 4.6803 8.0281 117.0860 53.3796 31.2202 175.8208 138 E 3.7055 8.8015 120.4287 58.1764 30.2528 177.5264 139 N 4.8334 7.7852 116.8070 52.5576 41.0906 170.2865 140 A 4.1410 8.9386 128.0314 54.1933 17.7069 176.8509 141 Y 5.4222 8.5749 120.5309 55.6743 40.2042 174.9778 142 L 4.6406 8.6185 127.5804 54.7654 43.6361 175.4493 143 L 5.0411 9.0021 125.8672 52.9444 45.1614 175.5262 144 I 5.3209 8.8977 122.3396 59.7040 41.6334 174.9295 145 R 4.6742 8.9176 120.8122 56.4690 32.7542 175.5113 146 R 4.5047 9.1364 122.1077 56.3822 29.5185 175.8276 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 4.42 0.00 3.99 3.94 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 3 N 8.51 4.52 0.00 2.90 2.88 0.00 0.00 7.14 6.82 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 4 T 8.75 4.17 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 5 L 8.63 4.93 0.00 1.67 1.76 1.07 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.66 4.77 0.00 3.13 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 7 D 7.79 4.80 0.00 2.53 2.29 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 8 D 7.93 4.24 0.00 2.41 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 0.00 0.00 0.00 9 I 7.54 4.97 1.79 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.01 0.92 0.00 0.00 10 F 9.34 5.28 0.00 3.05 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 11 Q 9.24 4.83 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 12 V 8.38 4.24 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 0.95 0.00 0.00 0.95 0.00 0.00 13 S 8.99 4.75 0.00 3.83 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 14 E 7.85 4.66 0.00 2.02 1.79 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 2.20 2.22 0.00 15 V 8.57 4.46 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 0.73 0.00 0.00 0.97 0.00 0.00 16 D 8.40 4.51 0.00 2.82 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 17 P 0.00 4.81 0.00 2.22 2.09 0.00 3.81 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 1.95 1.95 0.00 18 G 7.63 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 19 R 7.70 3.73 0.00 1.75 1.83 0.00 3.28 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 20 Y 7.66 5.12 0.00 3.11 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 21 N 8.56 5.22 0.00 2.69 2.79 0.00 0.00 6.68 7.61 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 22 K 8.00 4.75 0.00 1.65 1.75 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.54 1.45 7.81 23 V 7.83 5.10 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 0.83 0.00 0.00 0.83 0.00 0.00 24 C 8.55 5.41 0.00 2.92 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 25 R 8.86 4.62 0.00 1.96 1.84 0.00 3.16 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 26 I 9.21 4.84 1.92 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 1.08 1.26 0.89 0.00 0.00 27 E 8.69 5.21 0.00 2.13 1.75 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 2.21 2.29 0.00 28 A 8.87 5.18 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.78 5.29 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 30 S 8.58 4.11 0.00 3.55 3.85 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 0.00 0.00 0.00 31 T 8.25 4.23 4.21 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 1.21 0.00 0.00 32 T 7.52 4.28 4.17 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 1.15 0.00 0.00 33 Q 7.68 4.49 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.12 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 34 D 8.77 4.52 0.00 2.68 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 35 Q 7.85 4.44 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 36 C 8.14 5.40 0.00 3.10 3.09 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 37 K 8.78 5.30 0.00 1.94 1.93 0.00 1.54 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.39 7.81 38 L 8.77 5.01 0.00 1.36 1.08 0.75 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.62 5.19 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 40 L 9.26 5.07 0.00 1.62 1.38 0.99 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.80 5.21 0.00 2.67 2.67 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 42 I 8.42 4.48 1.81 0.00 0.00 0.50 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 1.26 0.73 0.00 0.00 43 N 10.12 5.38 0.00 2.80 2.99 0.00 0.00 6.72 7.59 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 44 V 8.30 3.90 2.09 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 0.85 0.00 0.00 0.87 0.00 0.00 45 E 8.69 4.33 0.00 2.00 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 2.28 2.28 0.00 46 L 8.39 4.47 0.00 2.03 1.88 0.93 0.68 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 47 F 7.88 4.95 0.00 3.20 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 48 P 0.00 4.36 0.00 1.93 1.88 0.00 3.54 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 49 V 7.80 4.05 1.91 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 0.76 0.00 0.00 0.60 0.00 0.00 50 A 8.67 4.25 1.19 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 0.00 0.00 0.00 51 A 8.20 4.14 1.26 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 52 Q 8.12 3.40 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 53 D 7.71 4.69 0.00 2.71 2.62 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 54 S 8.31 5.05 0.00 3.86 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 55 L 8.44 4.82 0.00 1.76 1.77 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.35 4.60 4.39 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 1.36 0.00 0.00 57 V 8.99 5.10 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 1.16 0.00 0.00 1.00 0.00 0.00 58 T 8.78 5.22 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 1.29 0.00 0.00 59 I 8.97 4.94 1.97 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 1.54 1.14 0.83 0.00 0.00 60 A 8.43 4.92 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 61 S 7.94 5.22 0.00 4.03 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 62 S 7.51 4.39 0.00 3.87 3.40 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 63 L 8.44 4.06 0.00 1.60 1.64 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.35 4.12 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 1.24 0.00 0.00 77 R 8.50 4.12 0.00 1.85 1.86 0.00 3.29 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 78 S 8.68 4.14 0.00 4.03 3.94 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 79 W 8.63 4.31 0.00 3.15 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 80 R 8.17 3.77 0.00 1.56 1.65 0.00 3.19 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 81 P 0.00 3.28 0.00 2.03 1.98 0.00 3.59 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.90 0.00 82 P 0.00 4.47 0.00 2.10 1.92 0.00 3.39 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 83 Q 7.76 4.55 0.00 2.02 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 84 A 7.98 4.03 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 85 G 7.99 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 86 D 7.80 4.71 0.00 2.62 2.73 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 87 R 7.39 4.64 0.00 1.80 1.67 0.00 3.06 0.00 0.00 3.06 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 88 S 8.28 4.55 0.00 3.79 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 89 L 8.37 3.89 0.00 1.99 2.00 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.25 3.90 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 91 D 8.01 5.09 0.00 3.05 2.71 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 92 D 8.21 4.39 0.00 2.87 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 93 Y 8.04 4.55 0.00 2.95 3.13 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 94 D 8.47 4.61 0.00 2.30 2.67 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 95 Y 7.49 4.39 0.00 2.18 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 0.00 0.00 0.00 96 V 7.73 4.65 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 0.88 0.00 0.00 0.90 0.00 0.00 97 M 8.79 4.64 0.00 1.72 0.95 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.91 0.00 98 Y 8.66 4.63 0.00 2.50 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 99 G 8.18 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 0.00 0.00 0.00 100 T 8.44 4.79 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 1.16 0.00 0.00 101 A 7.91 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.83 4.75 0.00 2.81 2.84 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 0.00 103 K 6.67 4.49 0.00 1.30 1.35 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.18 7.81 104 F 8.94 4.88 0.00 2.80 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 0.00 105 E 9.03 4.62 0.00 2.14 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 0.00 2.23 2.29 0.00 106 E 8.82 4.36 0.00 2.05 1.91 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 2.41 2.25 0.00 107 V 8.27 3.81 2.17 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 0.78 0.00 0.00 0.93 0.00 0.00 108 S 7.60 5.16 0.00 4.23 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 0.00 109 K 9.34 4.16 0.00 1.84 1.32 0.00 1.90 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.28 7.81 110 D 8.91 4.46 0.00 2.88 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 0.00 111 L 6.28 6.07 0.00 1.93 1.72 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.74 5.02 1.84 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 1.28 0.70 0.91 0.00 0.00 113 A 8.92 5.04 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 0.00 114 V 8.11 4.25 1.34 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 0.80 0.00 0.00 0.82 0.00 0.00 115 Y 7.20 4.73 0.00 1.79 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 0.00 116 Y 9.19 5.11 0.00 2.86 2.24 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 0.00 117 S 9.23 4.85 0.00 3.55 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.47 4.63 0.00 3.16 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 0.00 119 G 9.37 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 0.00 0.00 0.00 120 G 8.06 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 0.00 121 L 7.91 4.31 0.00 1.91 1.88 1.03 0.52 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 0.00 122 L 10.49 5.29 0.00 1.84 1.78 0.99 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 123 M 9.26 5.37 0.00 2.40 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 124 R 9.06 4.68 0.00 1.64 1.58 0.00 3.07 0.00 0.00 2.81 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.57 0.00 125 L 8.21 4.91 0.00 1.65 1.27 0.81 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.75 5.05 0.00 1.95 1.68 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 2.17 2.19 0.00 127 G 9.37 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 0.00 0.00 0.00 128 N 8.96 4.67 0.00 2.88 2.91 0.00 0.00 6.66 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 0.00 129 Y 8.53 4.23 0.00 3.21 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 0.00 130 R 7.05 2.89 0.00 1.55 1.70 0.00 2.89 0.00 0.00 2.93 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.16 0.00 131 N 6.75 3.49 0.00 2.97 3.06 0.00 0.00 5.98 6.67 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 0.00 132 L 9.05 4.12 0.00 1.67 1.82 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 133 N 9.20 4.93 0.00 2.64 2.98 0.00 0.00 6.97 7.67 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 0.00 134 N 7.38 4.89 0.00 3.01 2.99 0.00 0.00 7.00 7.73 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 0.00 135 L 8.07 4.21 0.00 1.67 1.57 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.21 3.61 0.00 1.36 1.65 0.00 1.22 0.00 0.00 0.61 0.00 0.00 2.85 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.28 1.34 7.81 137 Q 8.03 4.68 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.40 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 138 E 8.80 3.71 0.00 2.07 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 2.37 2.37 0.00 139 N 7.79 4.83 0.00 2.85 2.94 0.00 0.00 7.10 7.35 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 0.00 140 A 8.94 4.14 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 0.00 141 Y 8.57 5.42 0.00 2.91 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 0.00 142 L 8.62 4.64 0.00 1.75 1.33 0.86 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 143 L 9.00 5.04 0.00 0.64 0.62 0.81 0.48 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 0.00 144 I 8.90 5.32 1.63 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.03 0.92 0.00 0.00 145 R 8.92 4.67 0.00 2.04 2.21 0.00 2.71 0.00 0.00 2.89 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 146 R 9.14 4.50 0.00 2.01 2.29 0.00 3.24 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 2.04 0.00 * Residues marked with a * may have inaccurate shift predictions.