NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.3366 0.0000 0.0000 62.5139 31.9457 175.5694 4 L 3.9234 7.6560 122.7688 54.1653 43.1884 175.1839 5 T 4.1075 7.8788 116.6371 61.1018 69.0344 172.8747 6 V 3.6969 8.0934 128.8863 62.9081 32.3415 174.6664 7 Y 4.9879 8.1200 121.3473 56.8339 41.0000 176.7617 8 K 4.3369 8.5517 126.3933 53.4145 33.2157 172.3651 9 N 4.5756 8.4895 113.6973 55.1601 37.0844 174.9570 10 S 5.5620 7.9601 113.1709 58.2186 64.9371 176.0106 *19 D 4.7001 8.2250 128.2181 54.5067 42.8497 177.7469 20 L 3.9263 8.0757 118.5221 58.0167 41.5281 179.2673 21 L 3.8935 7.8709 119.0821 58.2816 42.2755 178.8708 22 V 3.5704 7.8471 117.3671 66.1446 31.1593 177.6723 23 A 4.0954 8.3524 120.5698 55.1324 18.1172 179.3421 24 N 4.3600 8.1511 115.1740 55.9517 38.4658 177.5668 25 L 3.9553 7.7280 120.3223 57.8293 41.7160 179.7312 26 V 3.5628 7.3451 116.7643 66.1412 31.6580 177.4583 27 N 4.2909 7.7697 116.0534 56.7543 38.5710 177.0346 28 E 4.0348 8.5866 120.6400 59.0590 29.5425 178.2928 29 N 4.4030 8.4639 117.7201 56.3873 38.9725 176.4924 30 F 4.3014 8.5753 123.8977 60.5687 39.5472 176.9451 31 V 3.4936 8.0004 117.4963 66.3801 31.2626 178.2487 32 L 3.9607 7.8369 118.0800 57.7677 41.3491 179.6158 33 S 4.0723 7.6614 114.1865 61.3308 62.7331 176.5507 34 E 3.7377 7.8189 122.0557 59.1657 28.9383 179.4079 35 K 3.8547 8.0521 118.3413 59.0679 32.0138 178.9398 36 L 3.9030 7.8094 120.6268 57.6855 41.6287 178.4802 37 D 4.3444 7.9834 119.0888 57.4301 40.2563 178.7830 38 T 3.9442 8.2417 110.4182 64.3409 68.5833 176.7146 39 K 4.0088 7.5502 121.2996 59.0861 31.8351 178.8987 40 A 4.0244 7.9964 121.0510 54.8841 18.1463 179.5899 41 T 3.9958 7.5677 107.7044 64.6603 69.2063 177.1215 42 E 3.9890 7.8602 120.4021 58.7136 29.3046 179.3002 43 I 3.7071 7.9361 119.0928 63.9683 38.1046 177.9795 44 K 4.4237 7.5848 120.1729 59.2179 31.9197 179.3772 45 Q 4.0110 8.2382 118.1738 58.8263 28.4554 178.9489 46 L 4.0257 7.6658 120.2564 57.7596 41.6385 179.3421 47 Q 3.9909 8.4636 118.4512 58.7996 28.5396 179.1376 48 K 3.9385 8.2179 119.4501 59.6394 32.0785 179.2230 49 Q 3.9890 7.9528 118.1687 59.1250 28.5494 179.2507 50 I 3.6829 8.0241 120.7874 64.5431 37.1835 178.0779 51 D 4.3443 8.0301 119.5909 57.4878 40.7959 178.8891 52 S 4.0693 8.2654 113.5754 61.5285 62.4088 176.2565 53 L 4.0421 8.2486 121.8848 57.6999 41.2067 179.2910 54 N 4.2768 8.4892 116.5534 56.1664 38.5289 176.9676 55 A 3.9762 7.8850 122.1259 55.4416 18.4045 179.3619 56 Q 3.9043 7.8392 115.8240 59.3005 28.9572 179.6207 57 V 3.5688 7.6745 118.6709 66.0438 31.6338 177.9811 58 K 3.8928 8.1882 118.2057 59.6819 31.9583 178.9121 59 E 4.0468 8.6398 120.9624 58.7694 29.6507 178.8599 60 L 4.0893 8.2063 119.0162 57.4069 41.6851 179.5506 61 K 4.0852 7.9293 118.8703 59.1994 32.1022 179.5468 62 T 3.9832 8.1469 111.7116 64.3059 68.8084 176.8091 63 Q 4.0903 8.0739 121.0913 59.1119 28.5075 178.5308 64 T 3.8819 7.9205 114.9566 64.8042 66.9324 176.4673 65 S 4.2520 8.1146 115.8812 60.9590 63.2280 176.5189 66 Q 4.0712 8.3218 122.6983 58.7180 28.6740 178.2165 67 Q 4.0251 8.4770 118.8909 59.0700 28.5319 178.2744 68 A 3.9750 8.0700 122.7960 54.8957 18.4095 178.9759 69 E 3.8661 7.8250 117.8355 59.6012 29.6912 178.6620 70 N 4.2936 7.9869 115.8220 56.7797 38.6207 177.4467 71 S 4.1981 8.2168 116.2006 61.7198 62.8104 176.8058 72 E 3.9626 8.5228 121.4765 59.2928 29.1991 179.3118 73 V 3.6051 7.8038 118.1805 66.2419 31.5510 177.9039 74 I 3.6891 7.8243 119.2667 64.4198 37.0237 178.1265 75 K 3.9799 8.3717 120.4412 59.9312 31.8307 178.5085 76 D 4.3662 8.5164 119.4031 57.0454 40.6107 178.3292 77 L 4.0296 8.5787 121.2398 58.6409 42.1224 178.5250 78 Y 4.0767 8.4033 116.9174 61.2354 37.6854 178.5453 79 E 3.9244 8.3089 120.0607 59.5493 29.4963 178.4079 80 Y 4.3065 7.5713 115.5183 59.9967 38.1161 176.8099 81 L 4.4695 8.2646 120.3434 56.0713 42.6190 177.1199 82 C 4.8969 8.6567 114.1716 58.1835 29.1483 173.6387 83 N 5.1955 8.6579 116.5930 52.4830 36.1498 173.5747 84 V 4.7956 7.4551 115.3478 60.1088 34.6793 174.4920 85 R 4.4962 8.9484 124.3935 54.3870 33.3581 174.3824 86 V 4.3751 8.1862 126.0971 62.2110 31.3664 175.3146 87 H 4.4439 8.6138 126.0249 58.6522 28.8968 175.8104 88 K 4.6633 7.7200 114.6628 55.9650 36.7655 174.0926 89 S 4.6082 8.1122 113.8399 58.1139 65.1142 173.6680 90 Y 4.8958 7.1551 123.2403 56.4366 42.1531 174.3829 91 E 5.0703 8.5390 119.6995 53.8202 30.6905 174.5614 92 D 4.5343 8.7135 122.1909 53.7895 40.6503 178.0947 93 D 4.0455 8.6452 122.8925 54.6680 41.6897 174.3555 94 S 4.4137 8.8358 117.1183 60.0876 62.8111 173.4221 95 G 4.6101 9.0400 116.0636 45.1648 0.0000 171.2559 96 L 5.1201 8.4016 122.2989 53.9440 43.6810 175.1693 97 W 5.8691 8.6386 119.2845 53.9418 33.5783 174.3624 98 F 5.3468 8.8063 120.4603 54.5163 42.3801 173.9401 99 D 5.0957 8.9089 122.7578 54.4448 42.8658 174.8094 100 I 4.8909 8.8201 123.8431 59.6889 42.0855 174.5865 101 S 5.0584 8.8561 120.6596 55.7173 66.0819 173.8247 102 Q 5.1720 8.5013 124.1229 54.7523 31.2068 174.0993 *115 I 4.4150 7.7145 117.2782 61.4344 38.4142 174.4321 116 M 4.7584 8.9023 126.7464 53.8976 34.5324 174.0811 117 D 5.1781 8.8295 126.5589 54.0225 43.0756 175.2529 118 Y 5.0025 8.2216 119.6990 56.3870 41.9525 173.1655 119 K 5.4247 8.7960 117.3196 54.7853 36.3617 176.2614 120 L 4.9579 9.0592 121.9002 52.9608 45.3720 175.8143 121 G 3.1105 8.1027 110.1925 43.7963 0.0000 171.9896 122 F 5.0577 8.5965 121.3116 55.6910 41.5367 175.5380 123 V 4.1256 8.3455 124.0677 64.0177 34.0221 175.5365 *130 T 4.4386 7.7412 108.0846 61.9315 69.8494 172.8854 131 E 4.6949 8.0908 121.8004 55.4897 33.7915 173.8599 132 V 4.2502 8.2052 123.0001 60.9651 35.6985 174.3233 133 I 4.5532 7.4937 123.9456 59.7558 41.1006 174.5113 134 Y 4.9202 8.0636 127.7618 56.7623 41.6122 174.3853 135 A 4.3028 6.5484 118.1667 50.2738 21.2167 173.6448 136 P 4.3869 0.0000 0.0000 63.9148 32.3664 176.7106 137 V 4.2866 8.7420 123.3557 60.7984 33.0243 174.7561 138 L 4.8859 8.1248 128.8683 54.2419 42.9750 178.2743 139 K 4.0407 8.3226 122.6396 59.2248 32.2532 176.5735 140 Q 4.3926 7.5640 115.5789 54.6641 30.9299 174.0980 141 R 4.2092 8.4728 119.3114 55.2210 32.6427 174.1179 142 S 4.1401 8.4917 122.4739 59.3950 63.6521 175.4916 143 T 3.9789 8.9635 116.6542 65.2793 68.1211 175.7101 144 E 4.0350 8.3408 119.5368 59.4407 29.2022 179.1377 145 E 3.9683 8.6748 119.5952 59.2832 29.8898 179.1040 146 L 3.5443 8.0955 118.0934 57.3989 41.4554 178.3658 147 Y 4.2463 7.8695 115.5331 59.2265 38.8189 177.6033 148 S 4.1788 7.9706 114.1770 61.6709 62.4316 176.4350 149 L 4.2063 8.9064 122.4020 57.8772 41.1918 179.3968 150 Q 4.3504 7.5421 115.9539 58.2570 28.6087 178.1920 151 S 4.4169 7.7227 115.0081 60.5663 63.5350 175.9996 152 K 4.2455 7.5741 119.5090 56.2910 32.3421 176.8492 153 L 4.4425 7.4194 119.1460 51.6784 43.4187 174.5859 154 P 4.0801 0.0000 0.0000 63.2260 31.9875 176.7144 155 E 3.9628 8.6901 124.1658 59.6445 29.8679 178.6283 156 Y 4.3945 8.0668 116.1096 59.1375 37.9704 177.1296 157 L 4.2310 7.1957 119.9241 55.0296 41.5066 176.9256 158 F 5.1856 7.9695 116.0300 57.1141 39.5765 174.9370 159 E 4.9245 8.0360 119.0198 54.3741 33.1300 175.6857 160 T 4.3416 8.5573 118.2091 64.4037 69.6112 173.1769 161 L 4.9796 8.4314 122.1787 53.8331 47.1721 175.4689 162 S 4.7179 8.4403 114.7512 57.9023 66.6707 174.1688 163 F 5.0776 7.1054 118.7265 54.3444 41.8703 172.2600 164 P 4.7595 0.0000 0.0000 62.0614 32.2797 176.9753 165 L 4.0577 8.6445 120.9432 58.7593 41.6183 179.4130 166 S 4.3099 8.1881 113.5207 61.1719 63.0209 175.7507 167 S 4.4868 8.0358 116.3192 58.9119 62.9176 175.5181 168 L 3.8250 8.1185 124.6462 58.4280 41.7879 178.0139 169 N 4.2692 8.2908 116.0351 57.1739 38.5197 176.7489 170 Q 3.9865 7.9751 117.8764 59.0015 29.1867 177.7307 171 F 3.9741 8.2259 121.6086 61.2973 39.2929 176.2049 172 Y 4.1369 8.4768 118.9000 61.1270 38.5563 178.4719 173 N 4.1206 8.2398 116.9940 56.1508 38.1113 177.2467 174 K 3.7283 7.8401 120.9245 59.5558 31.9691 178.9477 175 I 3.4295 7.0398 118.4150 63.8607 37.4664 177.8367 176 A 3.9018 7.4215 121.6313 55.1406 18.0120 179.8204 177 K 3.8342 7.8289 115.7517 59.5746 32.1148 179.1742 178 S 4.2862 7.4407 113.2266 59.8527 63.0402 174.5385 179 L 4.3092 7.3540 126.7419 55.0866 42.0066 175.6969 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 P 0.00 4.34 0.00 2.05 2.08 0.00 3.63 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 1.92 2.07 0.00 4 L 7.66 3.92 0.00 1.64 1.52 0.87 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.88 4.11 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 1.13 0.00 0.00 6 V 8.09 3.70 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 0.88 0.00 0.00 0.90 0.00 0.00 7 Y 8.12 4.99 0.00 2.92 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 8 K 8.55 4.34 0.00 1.68 1.72 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.03 7.81 9 N 8.49 4.58 0.00 2.71 2.84 0.00 0.00 6.64 7.57 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 10 S 7.96 5.56 0.00 3.79 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 *19 D 8.23 4.70 0.00 2.77 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 20 L 8.08 3.93 0.00 1.68 1.75 0.92 0.52 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 21 L 7.87 3.89 0.00 1.75 1.66 0.92 0.84 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 22 V 7.85 3.57 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 0.98 0.00 0.00 0.93 0.00 0.00 23 A 8.35 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.15 4.36 0.00 2.97 2.88 0.00 0.00 6.90 6.81 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 25 L 7.73 3.96 0.00 1.86 1.72 0.98 1.06 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 26 V 7.35 3.56 2.07 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 1.10 0.00 0.00 0.92 0.00 0.00 27 N 7.77 4.29 0.00 2.88 2.91 0.00 0.00 6.75 7.37 0.00 0.00 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 E 8.59 4.03 0.00 2.16 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 2.31 2.37 0.00 29 N 8.46 4.40 0.00 2.98 3.00 0.00 0.00 6.73 8.57 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 30 F 8.58 4.30 0.00 3.13 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 31 V 8.00 3.49 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 0.97 0.00 0.00 1.07 0.00 0.00 32 L 7.84 3.96 0.00 1.90 1.67 1.03 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.66 4.07 0.00 3.87 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 34 E 7.82 3.74 0.00 1.78 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 0.00 2.02 1.47 0.00 35 K 8.05 3.85 0.00 1.86 1.83 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.52 7.81 36 L 7.81 3.90 0.00 1.80 1.76 0.90 1.22 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 37 D 7.98 4.34 0.00 2.69 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 38 T 8.24 3.94 4.22 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 0.00 0.00 0.00 1.21 0.00 0.00 39 K 7.55 4.01 0.00 1.94 1.87 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.71 1.57 7.81 40 A 8.00 4.02 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 41 T 7.57 4.00 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 1.24 0.00 0.00 42 E 7.86 3.99 0.00 2.20 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 0.00 2.32 2.43 0.00 43 I 7.94 3.71 1.97 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 1.52 1.55 0.92 0.00 0.00 44 K 7.58 4.42 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.63 7.81 45 Q 8.24 4.01 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 46 L 7.67 4.03 0.00 1.80 1.70 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.46 3.99 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 48 K 8.22 3.94 0.00 1.96 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.64 7.81 49 Q 7.95 3.99 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 50 I 8.02 3.68 2.04 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 1.52 0.92 0.91 0.00 0.00 51 D 8.03 4.34 0.00 2.88 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 52 S 8.27 4.07 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 53 L 8.25 4.04 0.00 1.97 1.70 1.02 0.87 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 54 N 8.49 4.28 0.00 2.98 2.86 0.00 0.00 6.83 8.10 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 55 A 7.88 3.98 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 56 Q 7.84 3.90 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 57 V 7.67 3.57 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 0.98 0.00 0.00 58 K 8.19 3.89 0.00 1.98 1.85 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.46 7.81 59 E 8.64 4.05 0.00 1.98 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 2.31 2.21 0.00 60 L 8.21 4.09 0.00 1.89 1.70 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.93 4.09 0.00 2.04 1.85 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.73 7.81 62 T 8.15 3.98 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 1.21 0.00 0.00 63 Q 8.07 4.09 0.00 2.32 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 64 T 7.92 3.88 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 1.28 0.00 0.00 65 S 8.11 4.25 0.00 4.13 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 0.00 66 Q 8.32 4.07 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 67 Q 8.48 4.03 0.00 2.26 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 68 A 8.07 3.97 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 69 E 7.82 3.87 0.00 2.22 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 2.32 2.42 0.00 70 N 7.99 4.29 0.00 3.09 2.87 0.00 0.00 7.08 6.89 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 71 S 8.22 4.20 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 72 E 8.52 3.96 0.00 2.20 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 0.00 2.35 2.54 0.00 73 V 7.80 3.61 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 1.05 0.00 0.00 0.95 0.00 0.00 74 I 7.82 3.69 2.09 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.74 1.11 0.00 0.00 75 K 8.37 3.98 0.00 2.08 1.97 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.50 7.81 76 D 8.52 4.37 0.00 2.95 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 77 L 8.58 4.03 0.00 1.68 1.78 0.82 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.40 4.08 0.00 3.28 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 79 E 8.31 3.92 0.00 2.12 1.89 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 2.13 2.26 0.00 80 Y 7.57 4.31 0.00 3.11 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 81 L 8.26 4.47 0.00 1.60 1.82 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 82 C 8.66 4.90 0.00 3.23 3.01 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 83 N 8.66 5.20 0.00 2.94 2.87 0.00 0.00 7.10 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 84 V 7.46 4.80 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 0.69 0.00 0.00 1.03 0.00 0.00 85 R 8.95 4.50 0.00 1.81 1.59 0.00 3.17 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 86 V 8.19 4.38 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 0.85 0.00 0.00 0.77 0.00 0.00 87 H 8.61 4.44 0.00 3.20 3.39 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 7.72 4.66 0.00 1.90 1.81 0.00 1.69 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.58 7.81 89 S 8.11 4.61 0.00 3.25 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.16 4.90 0.00 2.95 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 91 E 8.54 5.07 0.00 1.81 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 0.00 2.17 2.09 0.00 92 D 8.71 4.53 0.00 2.62 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 93 D 8.65 4.05 0.00 2.76 2.49 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 94 S 8.84 4.41 0.00 3.91 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 95 G 9.04 4.61 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 0.00 0.00 0.00 96 L 8.40 5.12 0.00 1.35 1.73 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 97 W 8.64 5.87 0.00 3.45 3.32 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 98 F 8.81 5.35 0.00 2.85 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 99 D 8.91 5.10 0.00 3.03 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 0.00 100 I 8.82 4.89 0.75 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.04 0.77 0.00 0.00 101 S 8.86 5.06 0.00 3.84 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 0.00 102 Q 8.50 5.17 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.57 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 *115 I 7.71 4.41 1.91 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 1.26 0.69 1.09 0.00 0.00 116 M 8.90 4.76 0.00 2.25 1.99 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.69 0.00 117 D 8.83 5.18 0.00 2.86 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 0.00 118 Y 8.22 5.00 0.00 3.04 3.11 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 0.00 119 K 8.80 5.42 0.00 1.93 2.15 0.00 1.85 0.00 0.00 2.12 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.55 7.81 120 L 9.06 4.96 0.00 1.88 1.36 1.22 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.10 3.11 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 0.00 122 F 8.60 5.06 0.00 2.88 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 0.00 123 V 8.35 4.13 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 1.01 0.00 0.00 0.90 0.00 0.00 *130 T 7.74 4.44 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 1.24 0.00 0.00 131 E 8.09 4.69 0.00 2.02 1.71 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 2.00 2.10 0.00 132 V 8.21 4.25 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 0.36 0.00 0.00 0.70 0.00 0.00 133 I 7.49 4.55 1.38 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 0.85 0.16 0.82 0.00 0.00 134 Y 8.06 4.92 0.00 3.01 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 0.00 135 A 6.55 4.30 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 0.00 136 P 0.00 4.39 0.00 2.06 2.21 0.00 3.58 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 2.32 2.47 0.00 137 V 8.74 4.29 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 0.83 0.00 0.00 1.10 0.00 0.00 138 L 8.12 4.89 0.00 1.65 1.63 nan 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 139 K 8.32 4.04 0.00 1.69 1.88 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.54 7.81 140 Q 7.56 4.39 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.54 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 141 R 8.47 4.21 0.00 1.76 1.83 0.00 3.31 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 142 S 8.49 4.14 0.00 4.37 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 0.00 143 T 8.96 3.98 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 1.27 0.00 0.00 144 E 8.34 4.03 0.00 2.24 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 2.39 2.45 0.00 145 E 8.67 3.97 0.00 2.12 2.07 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 2.36 2.38 0.00 146 L 8.10 3.54 0.00 1.85 1.54 0.86 0.84 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 0.00 147 Y 7.87 4.25 0.00 2.98 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 0.00 148 S 7.97 4.18 0.00 4.07 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 0.00 149 L 8.91 4.21 0.00 1.86 1.90 1.05 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 7.54 4.35 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.96 0.00 0.00 0.00 0.00 0.00 1.67 1.99 0.00 151 S 7.72 4.42 0.00 4.02 4.15 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 0.00 152 K 7.57 4.25 0.00 1.80 2.07 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.66 7.81 153 L 7.42 4.44 0.00 1.59 1.06 0.72 0.68 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 0.00 154 P 0.00 4.08 0.00 1.11 1.82 0.00 3.22 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 1.82 1.94 0.00 155 E 8.69 3.96 0.00 2.09 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 2.52 2.47 0.00 156 Y 8.07 4.39 0.00 3.18 3.22 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 0.00 0.00 0.00 0.00 157 L 7.20 4.23 0.00 0.79 1.20 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 158 F 7.97 5.19 0.00 3.22 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 0.00 159 E 8.04 4.92 0.00 2.04 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 2.39 2.59 0.00 160 T 8.56 4.34 4.29 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 1.28 0.00 0.00 161 L 8.43 4.98 0.00 1.72 1.62 1.27 0.74 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 0.00 162 S 8.44 4.72 0.00 3.56 3.49 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 0.00 163 F 7.11 5.08 0.00 2.98 3.01 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 0.00 164 P 0.00 4.76 0.00 2.27 2.24 0.00 3.86 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.98 0.00 165 L 8.64 4.06 0.00 1.87 1.78 1.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 166 S 8.19 4.31 0.00 3.89 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 0.00 167 S 8.04 4.49 0.00 3.85 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 0.00 168 L 8.12 3.82 0.00 1.93 1.72 1.12 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 169 N 8.29 4.27 0.00 2.84 2.85 0.00 0.00 7.03 6.85 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 0.00 170 Q 7.98 3.99 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 171 F 8.23 3.97 0.00 2.56 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 0.00 172 Y 8.48 4.14 0.00 3.17 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 0.00 173 N 8.24 4.12 0.00 2.94 2.82 0.00 0.00 6.72 8.43 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 0.00 174 K 7.84 3.73 0.00 1.72 1.60 0.00 1.35 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.21 7.81 175 I 7.04 3.43 1.74 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.01 0.78 0.00 0.00 176 A 7.42 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 K 7.83 3.83 0.00 1.61 1.82 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.57 7.81 178 S 7.44 4.29 0.00 3.70 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 0.00 179 L 7.35 4.31 0.00 1.71 1.47 0.91 0.69 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 * Residues marked with a * may have inaccurate shift predictions.