NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2836 8.1227 123.5827 52.1041 18.9048 177.0543 4 T 3.8071 8.5142 115.6162 63.9078 67.3158 173.1881 5 D 4.5078 8.7091 122.3031 57.5363 42.1002 176.5413 6 D 4.4731 8.0533 117.8253 54.6371 41.2744 175.5690 7 I 4.5865 7.8533 114.4323 58.6819 40.7612 175.3905 8 R 4.1280 8.8556 120.0261 55.1911 30.6270 176.3772 9 A 4.1257 8.3574 122.7445 54.3333 18.5397 178.2701 10 G 3.9640 8.9871 111.3040 45.1147 0.0000 173.4228 11 E 4.5305 7.5570 118.5115 55.9104 31.0557 175.9917 12 L 4.7005 8.6980 122.0303 53.7174 45.6806 174.4253 13 A 5.1933 8.5826 127.3807 50.1277 21.4956 175.7359 14 S 4.4909 9.1014 116.9082 57.7165 63.2839 173.6723 15 D 4.7852 8.6650 124.7094 52.7931 39.6865 176.2803 16 W 4.2663 8.2184 130.8380 58.1123 31.5660 176.6131 17 S 4.1596 7.1767 119.1748 56.7979 62.2293 172.7599 18 G 3.2112 4.0000 109.2457 44.6729 0.0000 172.1600 19 S 4.6796 7.9727 114.0567 55.6675 64.9015 172.1069 20 P 4.6735 0.0000 0.0000 62.9335 31.8071 175.9791 21 D 4.6134 8.6603 118.5463 55.5786 41.7006 176.1810 22 A 4.6965 7.7291 119.4284 50.6530 22.3899 174.8237 23 G 4.0760 8.3612 107.6732 43.6337 0.0000 172.9170 24 V 4.0854 7.8332 121.8749 60.5578 33.2974 174.9241 25 V 4.0001 7.8910 126.3382 60.9648 32.7227 175.0375 26 F 4.7939 8.4734 126.6557 57.6410 39.1428 175.1164 27 I 3.5745 8.2330 119.2374 60.3773 38.8794 175.5298 28 G 2.4712 6.4332 108.1771 45.9933 0.0000 171.7378 29 R 4.9342 7.8263 119.1312 54.5451 33.9967 174.6326 30 I 4.6523 8.5753 126.7549 59.9747 39.5272 174.0798 31 H 5.3647 9.2986 125.1574 54.4231 30.7231 174.2604 32 T 4.7868 8.8460 112.6200 59.4420 72.0832 172.2815 33 P 4.0603 0.0000 0.0000 63.0886 31.6428 176.4469 34 W 4.8464 7.6338 119.8516 55.2452 30.0353 176.1203 35 N 4.9653 8.8943 120.4192 53.2671 39.4640 175.3349 36 R 4.7775 7.6140 116.8841 53.8418 34.0724 176.2663 37 L 3.9832 8.5834 121.2572 57.9650 41.8031 179.7653 38 K 4.0927 7.9576 116.0239 58.6119 32.1226 177.6330 39 E 4.2446 7.8006 117.5036 57.8676 29.9721 176.9667 40 C 3.2366 7.3213 116.1219 58.3207 28.6513 171.9524 41 P 4.1635 0.0000 0.0000 62.2902 31.6023 177.0962 42 R 3.9388 8.3399 120.1571 59.3902 30.2309 176.8980 43 H 5.3058 7.0142 111.3283 53.3084 32.8673 174.0091 44 G 4.3593 9.0408 108.1888 45.9253 0.0000 172.8373 45 R 4.9347 8.3812 116.3579 53.9022 32.2283 176.6362 46 A 4.0089 8.9434 124.1259 54.5847 18.7010 177.8972 47 D 4.7660 8.0345 114.0194 53.0754 39.6540 176.8182 48 G 4.0167 7.9465 110.4405 44.2593 0.0000 172.0119 49 P 4.3656 0.0000 0.0000 62.2655 31.7719 176.1758 50 V 3.9399 8.2116 120.5957 63.4873 31.9982 175.1211 51 C 4.7169 9.2806 125.6718 58.0779 31.8261 172.6422 52 R 4.5047 8.6963 120.1812 54.6754 32.5811 174.1902 53 I 4.4656 8.5161 128.8907 60.2279 38.6875 174.7115 54 E 4.8671 8.9894 130.2602 54.7456 30.6996 174.8905 55 V 4.2273 8.3746 128.4057 61.7805 32.6345 176.1223 56 F 4.9548 9.0235 126.9569 57.2831 39.9941 175.9586 57 E 4.0007 9.1605 124.1946 59.8315 29.6234 179.2044 58 T 3.4836 7.8171 113.9589 65.9028 68.5772 174.6325 59 W 4.7065 8.0329 118.7083 56.3631 29.8018 177.4615 60 L 4.0158 8.0105 122.5909 58.1705 41.3769 177.4790 61 P 4.3157 0.0000 0.0000 65.1786 31.0711 177.9937 62 A 4.2659 7.8664 118.1541 53.9144 18.5562 178.6464 63 L 4.2358 8.0940 116.8627 54.4385 41.7423 176.6885 64 A 4.1591 7.3469 123.4294 53.9064 18.5391 177.9455 65 G 4.0428 9.2126 111.7872 44.9811 0.0000 173.0848 66 I 4.4016 7.6154 121.0833 59.7476 38.9000 174.5737 67 D 4.5691 8.6266 123.0378 53.3247 44.0489 173.3020 68 D 4.5754 8.4249 119.5299 56.5388 40.9850 177.4291 69 G 4.0262 9.0340 113.2258 45.3201 0.0000 173.8761 70 T 4.1146 7.7542 117.7483 63.7122 69.6320 173.2065 71 L 4.5546 9.1944 129.2703 54.5355 43.2674 175.4462 72 L 5.1791 9.0924 126.6021 52.9732 45.5229 175.2119 73 E 4.8563 9.3786 123.3097 54.9628 31.2374 174.6581 74 V 4.7679 8.8593 128.5370 61.4536 33.6652 174.2763 75 F 5.1950 9.5176 127.3255 55.8680 41.3245 174.3544 76 Y 5.3214 8.3358 121.0720 55.0425 42.0685 173.8068 77 W 4.9559 8.8171 130.9431 56.1047 31.9314 177.0300 78 L 4.4329 8.5929 129.7818 53.8793 39.4309 177.1673 79 H 4.6356 8.5326 116.8918 57.3706 29.1229 177.3539 80 R 4.2508 7.6186 117.6033 56.6617 30.6327 176.5028 81 S 4.3931 7.6924 115.5948 57.3837 63.5610 174.5299 82 R 4.1578 8.3852 121.0596 56.5336 29.9037 176.5574 83 R 4.9853 8.7882 115.7759 55.2759 31.5180 176.3231 84 D 4.9148 7.8646 117.2748 53.2426 41.0237 176.0378 85 L 4.5044 7.8296 120.2527 55.0731 42.0667 176.3998 86 L 4.3486 9.4251 123.1890 55.2453 44.4418 176.4947 87 L 5.2327 7.7136 117.8699 52.8928 44.8737 175.9161 88 Q 4.9933 9.1565 121.6719 54.4404 33.3249 174.2991 89 C 5.0641 9.4211 119.5526 56.1829 28.7141 173.1040 90 P 4.2271 0.0000 0.0000 64.5399 31.3620 177.6521 91 R 4.2988 7.9198 114.8864 55.0062 30.6657 175.2178 92 N 4.1735 8.0504 116.0210 54.9897 37.7021 173.8237 93 D 4.7321 7.7796 111.0348 52.5598 40.5892 176.3513 94 G 3.7596 8.3574 105.8022 46.2476 0.0000 173.9298 95 D 4.6602 8.2082 120.8098 52.9784 41.1260 174.3037 96 A 4.8245 8.2724 126.6906 50.6964 20.3676 176.3512 97 R 4.6317 8.9285 120.8868 53.7417 34.3130 175.8006 98 G 3.8768 8.6056 111.2390 45.7460 0.0000 174.5504 99 T 3.6929 8.3343 119.8371 66.5859 68.5230 176.5047 100 F 4.6756 7.5105 117.6135 59.3121 39.0513 175.8364 101 S 4.6005 8.0655 114.7589 58.1004 63.3997 173.4427 102 I 4.7278 7.3369 113.8808 59.7225 40.4132 174.8397 103 R 4.5482 8.2569 116.9074 55.7162 30.3801 176.8073 104 S 4.1306 8.0853 112.0800 58.2130 62.5563 172.5769 105 P 4.2454 0.0000 0.0000 63.8848 31.4898 176.1662 106 L 4.3552 7.6349 120.2344 53.8246 41.4514 175.9146 107 R 4.6401 7.8302 121.4344 53.8757 34.3534 174.6774 108 P 4.4589 0.0000 0.0000 64.3786 31.3793 176.4376 109 N 4.7854 7.8697 115.5537 50.7529 40.5249 173.2905 110 P 4.3361 0.0000 0.0000 61.5880 29.6744 174.9523 111 I 4.4539 7.2009 122.3223 60.9051 38.6542 176.5916 112 G 3.7837 8.5808 115.3932 44.4998 0.0000 172.4236 113 T 5.3443 7.7102 111.3684 58.5570 72.1490 173.2533 114 S 4.7440 8.3381 117.3167 57.0632 67.7865 172.8841 115 I 4.8201 8.3987 123.9851 60.1712 38.1240 175.1595 116 A 4.7396 9.1912 129.0782 50.4549 23.1702 174.4987 117 R 4.8098 8.2676 122.0163 54.6837 32.1632 175.7118 118 V 3.9288 8.6737 127.2878 63.3859 31.9989 175.4886 119 D 4.4551 9.1955 129.5947 56.7034 41.1085 175.8683 120 R 4.9170 7.8741 117.3773 54.8509 33.9744 172.6413 121 R 5.0210 9.5258 126.6623 54.8321 32.1942 175.3960 122 D 4.7175 9.1013 125.4153 52.8772 43.4316 177.1241 123 G 3.8417 8.4252 118.8716 46.7518 0.0000 174.0094 124 A 4.2434 8.8590 130.5360 52.8658 18.9769 176.9126 125 N 5.1078 8.1960 114.8735 51.5136 40.7987 174.1192 126 L 4.8066 8.7002 124.2185 53.0014 44.1117 175.5516 127 F 4.8417 9.1396 124.5117 56.6508 40.3948 175.0363 128 I 5.0272 9.0115 123.6468 59.5929 42.1525 173.5795 129 R 4.7696 8.4503 126.5528 55.2128 33.0998 176.4950 130 G 4.0577 8.8595 111.2022 45.7114 0.0000 173.6794 131 L 4.9332 7.8475 119.8799 53.5410 43.4156 176.1585 132 D 4.3472 8.1915 114.7223 53.3642 40.2982 174.5578 133 C 4.8090 7.8162 113.5559 56.3246 32.2379 173.3237 134 L 4.3327 8.1693 120.1477 54.6131 41.8187 176.5392 135 D 4.4614 8.9580 122.4845 56.1437 41.3882 176.8248 136 G 3.9090 9.0172 115.1261 45.1637 0.0000 173.4587 137 T 3.8909 7.5715 117.1736 62.9033 69.6724 172.1566 138 P 4.4664 0.0000 0.0000 62.2645 32.6903 175.1575 139 L 4.6594 8.5211 126.6001 54.8273 42.8175 177.3092 140 V 4.2710 8.6868 118.2486 62.0559 34.2863 175.1886 141 D 4.5501 7.7391 117.2586 53.2455 44.5293 174.0853 142 L 5.3740 8.3179 121.9875 53.0986 45.3582 176.0207 143 K 4.7842 9.0582 121.8305 53.5302 36.8598 173.9119 144 P 4.6901 0.0000 0.0000 62.5463 32.0823 175.6987 145 D 4.4224 9.0460 123.4304 54.6656 40.7889 177.1086 146 R 4.0550 9.1058 124.4437 59.7756 29.9769 179.2394 147 A 4.4817 7.9050 119.5214 54.1155 18.3527 178.5181 148 E 4.3063 7.5266 116.8663 58.2301 30.2220 177.1730 149 F 4.5223 8.2157 117.9464 58.6110 39.2978 173.3249 *151 P 4.2911 0.0000 0.0000 63.1757 31.6678 176.1891 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 A 8.12 4.28 1.35 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 4 T 8.51 3.81 4.24 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 1.22 0.00 0.00 5 D 8.71 4.51 0.00 2.73 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 6 D 8.05 4.47 0.00 2.64 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 7 I 7.85 4.59 1.99 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 1.41 0.66 0.90 0.00 0.00 8 R 8.86 4.13 0.00 1.96 1.96 0.00 3.27 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 9 A 8.36 4.13 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 10 G 8.99 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 0.00 0.00 0.00 11 E 7.56 4.53 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 2.35 2.30 0.00 12 L 8.70 4.70 0.00 1.70 1.41 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.58 5.19 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 14 S 9.10 4.49 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 15 D 8.66 4.79 0.00 2.83 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 16 W 8.22 4.27 0.00 3.26 3.19 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 17 S 7.18 4.16 0.00 3.74 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 18 G 4.00 3.21 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 0.00 19 S 7.97 4.68 0.00 3.98 3.84 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 20 P 0.00 4.67 0.00 2.40 2.19 0.00 3.79 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 2.03 0.00 21 D 8.66 4.61 0.00 2.73 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 22 A 7.73 4.70 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 23 G 8.36 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 24 V 7.83 4.09 1.40 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 0.57 0.00 0.00 0.71 0.00 0.00 25 V 7.89 4.00 1.94 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 0.92 0.00 0.00 0.91 0.00 0.00 26 F 8.47 4.79 0.00 3.19 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 27 I 8.23 3.57 1.15 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.95 -0.43 0.00 0.00 28 G 6.43 2.47 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 0.00 0.00 0.00 0.00 29 R 7.83 4.93 0.00 1.92 1.71 0.00 3.12 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.49 0.00 30 I 8.58 4.65 1.70 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.52 0.76 0.00 0.00 31 H 9.30 5.36 0.00 3.03 3.14 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 32 T 8.85 4.79 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 1.25 0.00 0.00 33 P 0.00 4.06 0.00 1.01 1.69 0.00 2.20 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.53 0.00 34 W 7.63 4.85 0.00 3.54 2.95 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 35 N 8.89 4.97 0.00 2.75 2.89 0.00 0.00 6.95 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 36 R 7.61 4.78 0.00 1.82 1.78 0.00 3.32 0.00 0.00 3.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 37 L 8.58 3.98 0.00 1.68 1.68 0.90 0.68 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 38 K 7.96 4.09 0.00 1.73 1.86 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 39 E 7.80 4.24 0.00 2.24 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 0.00 2.36 2.50 0.00 40 C 7.32 3.24 0.00 2.86 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 41 P 0.00 4.16 0.00 1.75 1.73 0.00 2.42 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.35 0.00 42 R 8.34 3.94 0.00 1.74 1.90 0.00 3.16 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 43 H 7.01 5.31 0.00 2.95 3.12 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.04 4.36 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 0.00 45 R 8.38 4.93 0.00 1.99 2.01 0.00 2.99 0.00 0.00 3.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 46 A 8.94 4.01 1.32 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 0.00 0.00 0.00 47 D 8.03 4.77 0.00 2.81 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 48 G 7.95 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 0.00 0.00 0.00 49 P 0.00 4.37 0.00 2.01 2.01 0.00 4.02 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.02 0.00 50 V 8.21 3.94 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 0.96 0.00 0.00 0.95 0.00 0.00 51 C 9.28 4.72 0.00 2.81 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 52 R 8.70 4.50 0.00 1.56 1.59 0.00 2.89 0.00 0.00 2.81 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.58 0.00 53 I 8.52 4.47 1.77 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 1.02 0.33 0.82 0.00 0.00 54 E 8.99 4.87 0.00 2.05 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 2.35 2.30 0.00 55 V 8.37 4.23 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 0.99 0.00 0.00 0.89 0.00 0.00 56 F 9.02 4.95 0.00 3.72 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 57 E 9.16 4.00 0.00 2.03 1.97 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 2.31 2.33 0.00 58 T 7.82 3.48 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 0.09 0.00 0.00 59 W 8.03 4.71 0.00 3.63 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 60 L 8.01 4.02 0.00 1.85 1.79 0.96 0.85 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 61 P 0.00 4.32 0.00 2.22 2.10 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 62 A 7.87 4.27 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 63 L 8.09 4.24 0.00 1.90 1.74 0.96 0.81 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 64 A 7.35 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 65 G 9.21 4.04 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 0.00 0.00 0.00 66 I 7.62 4.40 2.03 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 1.20 0.68 0.93 0.00 0.00 67 D 8.63 4.57 0.00 2.67 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 68 D 8.42 4.58 0.00 2.71 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 69 G 9.03 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 70 T 7.75 4.11 4.27 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 1.25 0.00 0.00 71 L 9.19 4.55 0.00 1.93 1.58 0.96 0.41 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 72 L 9.09 5.18 0.00 1.71 1.56 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 73 E 9.38 4.86 0.00 2.02 1.96 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 1.80 2.03 0.00 74 V 8.86 4.77 2.23 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 1.07 0.00 0.00 0.98 0.00 0.00 75 F 9.52 5.20 0.00 3.09 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 76 Y 8.34 5.32 0.00 3.11 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 77 W 8.82 4.96 0.00 3.46 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 78 L 8.59 4.43 0.00 1.55 1.52 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.53 4.64 0.00 3.52 3.65 0.00 5.51 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 80 R 7.62 4.25 0.00 1.73 1.95 0.00 3.32 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.44 0.00 81 S 7.69 4.39 0.00 3.85 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 82 R 8.39 4.16 0.00 2.02 1.94 0.00 2.96 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 83 R 8.79 4.99 0.00 1.93 2.12 0.00 3.50 0.00 0.00 3.48 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 84 D 7.86 4.91 0.00 2.92 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 85 L 7.83 4.50 0.00 1.48 1.57 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 86 L 9.43 4.35 0.00 1.46 1.56 0.89 0.53 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 87 L 7.71 5.23 0.00 1.60 1.48 0.89 0.82 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 88 Q 9.16 4.99 0.00 1.88 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.78 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 89 C 9.42 5.06 0.00 2.75 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 90 P 0.00 4.23 0.00 2.01 2.08 0.00 3.63 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 2.00 2.07 0.00 91 R 7.92 4.30 0.00 2.07 1.94 0.00 3.34 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 92 N 8.05 4.17 0.00 2.77 2.82 0.00 0.00 6.87 7.99 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 93 D 7.78 4.73 0.00 2.75 2.65 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 94 G 8.36 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 95 D 8.21 4.66 0.00 2.82 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 96 A 8.27 4.82 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 97 R 8.93 4.63 0.00 1.64 1.76 0.00 3.28 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 98 G 8.61 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 99 T 8.33 3.69 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 1.09 0.00 0.00 100 F 7.51 4.68 0.00 3.03 2.95 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 0.00 101 S 8.07 4.60 0.00 3.97 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 0.00 102 I 7.34 4.73 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.70 0.89 0.00 0.00 103 R 8.26 4.55 0.00 1.85 1.99 0.00 3.19 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 104 S 8.09 4.13 0.00 3.78 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 0.00 105 P 0.00 4.25 0.00 2.15 2.09 0.00 3.74 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 106 L 7.63 4.36 0.00 1.75 1.62 0.88 0.56 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 0.00 107 R 7.83 4.64 0.00 1.87 1.74 0.00 3.18 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 108 P 0.00 4.46 0.00 2.08 2.06 0.00 3.75 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 109 N 7.87 4.79 0.00 2.69 2.85 0.00 0.00 6.93 8.02 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 0.00 110 P 0.00 4.34 0.00 1.73 1.89 0.00 2.76 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 0.49 1.53 0.00 111 I 7.20 4.45 1.85 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.57 1.02 0.00 0.00 112 G 8.58 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 0.00 113 T 7.71 5.34 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 114 S 8.34 4.74 0.00 3.88 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 0.00 115 I 8.40 4.82 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.77 0.97 0.00 0.00 116 A 9.19 4.74 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 0.00 117 R 8.27 4.81 0.00 2.04 1.83 0.00 3.13 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 118 V 8.67 3.93 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.01 0.00 0.00 119 D 9.20 4.46 0.00 2.77 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 0.00 120 R 7.87 4.92 0.00 1.89 1.73 0.00 3.11 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 121 R 9.53 5.02 0.00 1.84 1.99 0.00 3.29 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 122 D 9.10 4.72 0.00 2.87 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 0.00 123 G 8.43 3.84 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 0.00 0.00 0.00 124 A 8.86 4.24 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 0.00 125 N 8.20 5.11 0.00 2.81 2.17 0.00 0.00 6.73 6.02 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 0.00 126 L 8.70 4.81 0.00 1.44 1.55 0.91 0.96 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 0.00 127 F 9.14 4.84 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.01 5.03 1.88 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 1.25 1.38 0.89 0.00 0.00 129 R 8.45 4.77 0.00 1.83 1.83 0.00 3.18 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 130 G 8.86 4.06 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 0.00 0.00 0.00 131 L 7.85 4.93 0.00 1.76 1.55 0.83 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 132 D 8.19 4.35 0.00 2.79 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 0.00 133 C 7.82 4.81 0.00 2.96 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 0.00 134 L 8.17 4.33 0.00 1.80 1.71 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 135 D 8.96 4.46 0.00 2.76 2.72 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 0.00 136 G 9.02 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 0.00 137 T 7.57 3.89 4.13 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 1.31 0.00 0.00 138 P 0.00 4.47 0.00 1.04 0.49 0.00 3.70 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.39 0.00 139 L 8.52 4.66 0.00 1.61 1.43 1.05 0.76 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 0.00 140 V 8.69 4.27 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 0.91 0.00 0.00 1.17 0.00 0.00 141 D 7.74 4.55 0.00 2.48 1.98 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 0.00 142 L 8.32 5.37 0.00 1.49 1.52 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 143 K 9.06 4.78 0.00 1.77 1.56 0.00 1.98 0.00 0.00 1.65 0.00 0.00 2.13 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.21 1.35 7.81 144 P 0.00 4.69 0.00 1.94 1.90 0.00 3.46 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.84 0.00 145 D 9.05 4.42 0.00 2.84 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 0.00 146 R 9.11 4.06 0.00 1.94 2.04 0.00 3.22 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.78 0.00 147 A 7.91 4.48 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 0.00 148 E 7.53 4.31 0.00 2.17 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 2.34 2.34 0.00 149 F 8.22 4.52 0.00 3.04 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 *151 P 0.00 4.29 0.00 2.23 1.96 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 * Residues marked with a * may have inaccurate shift predictions.