NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 M 4.3918 8.3049 120.3479 55.4001 32.5157 173.9767 8 K 4.6298 8.0908 124.8965 54.0950 36.3696 173.7381 9 R 5.0242 8.5882 119.3612 55.0476 34.3790 175.1789 10 T 4.6085 8.0634 113.7379 61.2835 71.0335 172.8951 11 T 4.8039 8.4273 122.9512 61.0221 69.9489 172.6716 12 L 4.5329 7.9111 121.2565 54.0878 46.1417 172.8936 13 D 5.1640 8.5789 123.6272 52.6621 42.5897 175.5898 14 S 4.2548 8.5898 119.3836 55.4183 66.0895 173.0741 15 P 4.0826 0.0000 0.0000 64.1696 30.8680 177.0823 16 L 4.0650 7.2291 117.5583 54.0416 42.3208 176.7047 17 G 3.7104 8.2678 106.9660 43.6877 0.0000 173.1650 18 K 5.1990 8.5442 117.0659 55.9277 33.2273 177.0732 19 L 5.0401 8.0879 122.9661 54.2175 42.9657 174.5199 20 E 4.4473 8.9601 127.0464 56.2155 29.3072 175.3879 21 L 5.2050 9.0116 129.5739 53.2713 41.6422 176.2064 22 S 4.8147 8.6425 120.6470 57.1783 65.3346 173.3527 23 G 4.7003 7.7145 111.4714 46.4061 0.0000 172.0188 24 C 4.6991 7.6213 116.2400 56.4004 31.6604 173.8518 25 E 4.1974 8.5022 118.6341 57.5857 29.2652 176.8445 26 Q 4.1325 7.9077 118.1452 56.9810 29.4738 174.9683 27 G 3.9012 6.8983 105.6803 45.1875 0.0000 170.6035 28 L 4.3984 8.9349 122.4854 54.9690 42.2693 176.7976 29 H 5.1302 9.0048 126.4067 58.0042 31.0257 173.7508 30 E 4.5532 8.2677 117.5050 55.9325 33.7825 174.2357 31 I 4.7061 7.8010 115.2289 60.5305 39.4040 171.6036 32 K 4.2662 8.8934 128.1211 55.0573 33.8329 175.9715 33 L 4.4017 8.4474 128.7421 53.7694 39.9487 176.5480 34 L 4.3353 7.8245 122.3155 54.5821 42.4209 178.2660 35 G 3.5990 8.4425 106.3348 46.7901 0.0000 171.3576 *56 P 4.2242 0.0000 0.0000 62.3720 32.7379 176.1278 57 E 3.9848 8.6943 116.9032 59.5071 29.5067 176.9474 58 P 4.2050 0.0000 0.0000 65.8675 31.4350 178.2081 59 L 3.9591 7.9017 116.5546 58.4882 41.2168 179.6396 60 M 4.4583 7.7145 116.3974 57.6809 31.4615 178.4074 61 Q 4.1399 8.0937 120.2769 58.8192 29.2718 177.2905 62 C 4.1648 8.5980 120.3002 62.5435 31.6023 175.5038 63 T 3.9365 8.6091 117.6268 66.5470 68.0318 176.3390 64 A 4.0222 7.8424 121.6708 54.9522 18.4381 179.2689 65 W 3.9734 8.0090 126.4709 60.6482 30.6323 177.8967 66 L 4.4835 8.5265 118.7915 58.3967 41.1574 179.5155 67 N 4.4046 8.3456 115.6776 55.8537 38.3109 177.5821 68 A 3.5321 7.7019 122.5319 55.0482 18.2097 178.7409 69 Y 3.4429 7.7060 117.3171 61.5780 38.7348 177.7790 70 F 4.1205 8.2414 118.2312 59.4024 38.7963 175.5082 71 H 4.8482 8.1530 117.1887 55.5412 29.7248 176.1987 72 Q 4.6266 7.9922 121.3579 53.7058 29.7380 174.0130 73 P 3.8489 0.0000 0.0000 64.4327 31.4512 176.9973 74 E 3.8932 7.8848 117.9732 58.9976 30.0818 177.2657 75 A 4.6052 7.2805 118.7991 51.6879 21.0070 176.9507 76 I 3.5096 7.1940 123.8463 62.8259 38.8960 177.2409 77 E 4.3076 8.0318 117.8854 58.0913 29.5819 177.1488 78 E 4.2198 7.8784 117.4497 57.1344 29.6478 176.4478 79 F 4.6984 7.8723 118.5858 54.4120 41.3993 173.4767 80 P 4.4267 0.0000 0.0000 62.5692 31.8255 176.2233 81 V 3.6750 8.1852 122.0811 61.5964 32.1546 173.9165 82 P 4.4654 0.0000 0.0000 61.7978 32.0739 175.2096 83 A 4.0542 8.1983 120.0317 51.9693 19.5327 177.1722 84 L 4.4014 8.2176 122.9852 53.7516 40.7959 174.4147 85 H 4.6876 8.6151 120.8191 55.7040 30.2980 172.5896 86 H 4.6138 8.6589 122.6948 53.1429 32.3517 172.4140 87 P 4.1652 0.0000 0.0000 65.9118 30.8281 179.1351 88 V 3.3126 7.7624 116.5836 64.0728 31.5679 177.5435 89 F 4.7252 8.0623 116.8028 58.9216 39.3635 177.7945 90 Q 4.1758 8.1820 117.1796 57.9531 28.8747 175.9377 91 Q 4.3074 7.2521 119.3893 54.5352 30.8671 173.5162 92 E 4.4594 8.4161 119.8733 54.3902 30.5254 174.4038 93 S 4.6235 8.0074 119.7908 56.0984 66.1024 173.8884 94 F 4.4124 8.9555 121.4161 62.0125 39.1574 177.1269 95 T 3.5527 8.1107 114.8623 67.4044 68.0787 175.1509 96 R 3.8715 7.9968 119.8227 59.0558 29.1115 177.9329 97 Q 4.0567 8.1706 116.7547 59.4114 28.9813 179.4991 98 V 3.7841 7.3976 117.4919 66.2430 31.7366 177.8820 99 L 4.0902 7.8514 118.1713 57.5428 41.7679 179.0836 100 W 3.8065 8.7428 128.7573 60.4788 30.6649 177.8822 101 K 4.1881 9.7656 119.4094 58.9984 30.5273 178.5633 102 L 4.0010 7.8502 120.7775 56.8843 41.7725 177.6839 103 L 4.1911 7.6272 116.3870 55.7093 41.3004 177.2071 104 K 4.3877 7.4383 117.2400 56.6502 33.2452 176.7829 105 V 4.2296 7.6306 115.7943 62.1350 33.3367 175.5154 106 V 4.2253 6.9420 119.5996 61.1317 30.3879 175.2355 107 K 4.3918 8.7768 126.9548 54.5366 33.1533 176.4929 108 F 4.2220 8.6885 122.0961 60.4575 39.5654 173.1639 109 G 3.8724 9.0968 119.6079 45.6670 0.0000 174.0203 110 E 4.0819 7.1077 118.0382 56.5241 30.0749 176.5722 111 V 4.7146 7.9089 119.2779 61.4844 35.1090 174.3507 112 I 4.6923 8.6112 124.9981 59.4377 41.9801 174.0621 113 S 5.4450 8.6135 122.3770 57.8778 63.5562 174.1226 114 Y 4.0056 9.3946 123.8667 61.4923 37.6670 179.0397 115 Q 3.9899 8.1198 119.3499 59.6030 29.1559 178.0753 116 Q 4.0497 8.3288 118.4867 59.1296 28.6176 179.3119 117 L 3.9525 8.1663 120.8757 58.1418 42.0236 178.5761 118 A 4.3445 7.8005 119.1126 55.2687 18.3532 179.3818 119 A 4.1089 8.0597 119.1751 55.5153 18.3562 179.6151 120 L 3.9929 7.4171 115.9506 57.9444 41.7439 178.8636 121 A 4.5430 8.2278 118.2861 50.4553 18.6481 177.1291 122 G 3.8376 8.9878 112.5733 45.1099 0.0000 175.2718 123 N 4.1690 9.4961 128.8943 53.4188 39.2016 172.1178 124 P 4.4570 0.0000 0.0000 64.3428 32.0908 177.0516 125 K 4.3283 8.0270 117.1598 56.4964 32.2154 177.2110 126 A 4.6707 7.2617 121.2053 50.1940 18.6216 176.5638 127 A 4.4128 7.9498 125.1294 54.1123 19.6403 179.1160 128 R 3.8330 8.1891 116.5180 59.7641 29.8728 178.3522 129 A 4.2001 8.1070 120.0536 54.8799 18.4260 179.3442 130 V 3.6324 8.2357 116.0147 65.5214 31.7075 178.0336 131 G 3.9790 8.1266 106.0007 47.8101 0.0000 175.9543 132 G 3.7652 8.2204 108.1939 46.7958 0.0000 175.2643 133 A 3.9225 7.9027 122.5002 55.4172 18.6660 179.2887 134 M 4.0497 8.0707 117.6299 58.4516 31.8004 179.2610 135 R 3.9668 7.9274 114.8765 58.9900 29.8193 178.3907 136 G 3.8508 7.6160 104.0846 44.7990 0.0000 172.8743 137 N 4.3039 7.6113 120.6844 53.0070 38.8597 172.6854 138 P 4.3862 0.0000 0.0000 64.7718 32.4262 177.3777 139 V 4.1615 7.6076 114.2200 58.7514 30.2528 173.3096 140 P 4.8525 0.0000 0.0000 62.8234 32.6269 177.3017 141 I 3.7708 8.5816 123.4847 62.2633 35.9367 175.3442 142 L 2.8409 7.6834 119.8512 57.0883 41.6525 176.8413 143 I 4.1082 7.5596 124.9478 58.5314 37.3669 173.1896 144 P 4.6772 0.0000 0.0000 63.2419 28.6983 177.0828 145 C 4.2689 7.8144 112.3663 59.9352 29.9702 174.9500 146 H 4.8793 8.0950 117.9190 58.1294 29.0677 177.5002 147 R 4.0553 7.7565 118.4870 58.3958 30.9841 177.2217 148 V 4.1521 7.0488 119.8613 63.0884 32.1614 175.8970 149 V 4.8678 8.8356 119.6093 59.8148 36.4713 174.0394 150 C 4.3359 8.4596 120.5103 60.4437 28.7028 175.6616 151 S 4.2196 8.7859 117.3776 61.3359 62.9379 176.0133 152 S 4.1548 8.1992 116.1690 62.5964 62.5140 174.5751 153 G 3.6819 7.2471 104.9397 45.1499 0.0000 173.5040 154 A 4.5561 7.7860 123.6938 50.3393 20.6016 178.6275 155 V 3.9045 8.2275 119.1227 64.1021 32.6067 177.9728 156 G 3.9992 8.1416 106.8713 46.0932 0.0000 171.0884 157 N 5.2230 8.4386 121.0811 51.9468 42.0600 172.4923 158 Y 4.6812 7.9875 116.9618 56.9617 41.5987 174.4043 159 S 4.2757 8.5635 123.2232 61.8690 63.3392 176.3640 160 G 3.9625 8.2820 107.7569 45.3437 0.0000 170.9183 161 G 4.0875 8.2959 114.3960 45.0169 0.0000 174.6526 162 L 4.0274 8.6761 124.8984 58.0136 42.0143 178.8413 163 A 4.0243 8.1218 120.4838 55.4113 18.1746 179.5712 164 V 3.5369 7.6851 116.3444 65.9331 31.4535 178.0916 165 K 3.5947 7.6430 118.8947 59.5878 31.9624 177.9949 166 E 3.9579 8.1059 118.4582 58.9298 29.1578 178.6973 167 W 4.1396 8.3324 127.6781 60.8852 30.7814 177.9631 168 L 4.6837 8.4160 118.5330 58.0170 40.9032 179.2568 169 L 3.9668 7.9543 117.6425 58.1587 41.8979 179.1173 170 A 3.9299 8.5049 120.5466 55.7764 18.0397 178.9871 171 H 3.1665 8.3635 116.4004 59.2192 29.8117 176.7523 172 E 3.8223 7.7494 118.3879 56.1016 30.2749 177.5250 173 G 3.8639 9.1383 108.3513 46.4838 0.0000 173.4952 174 H 4.4367 7.7135 120.8675 56.2226 29.8537 173.5996 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 7 M 8.30 4.39 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 8 K 8.09 4.63 0.00 1.71 1.67 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.49 7.81 9 R 8.59 5.02 0.00 1.65 1.80 0.00 3.21 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 10 T 8.06 4.61 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 11 T 8.43 4.80 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 12 L 7.91 4.53 0.00 1.82 1.45 0.94 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.58 5.16 0.00 2.66 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 14 S 8.59 4.25 0.00 2.72 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.08 0.00 1.24 1.97 0.00 2.20 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 16 L 7.23 4.07 0.00 1.43 1.53 0.11 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.27 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.54 5.20 0.00 1.67 1.71 0.00 1.92 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.20 7.81 19 L 8.09 5.04 0.00 1.86 1.78 1.06 0.76 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 20 E 8.96 4.45 0.00 2.09 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 2.32 0.00 21 L 9.01 5.20 0.00 1.87 1.82 1.00 0.90 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 22 S 8.64 4.81 0.00 3.94 4.05 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 23 G 7.71 4.70 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 0.00 0.00 0.00 24 C 7.62 4.70 0.00 3.08 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 25 E 8.50 4.20 0.00 1.94 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 0.00 2.28 2.29 0.00 26 Q 7.91 4.13 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 27 G 6.90 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 28 L 8.93 4.40 0.00 1.73 1.52 1.05 0.92 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 29 H 9.00 5.13 0.00 3.26 3.37 0.00 5.82 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.27 4.55 0.00 2.12 1.80 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 2.24 2.27 0.00 31 I 7.80 4.71 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.73 0.90 0.00 0.00 32 K 8.89 4.27 0.00 2.08 1.67 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.44 7.81 33 L 8.45 4.40 0.00 1.62 1.66 1.06 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.82 4.34 0.00 1.81 1.73 0.92 0.75 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 35 G 8.44 3.60 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 0.00 0.00 0.00 *56 P 0.00 4.22 0.00 2.26 2.28 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 57 E 8.69 3.98 0.00 2.06 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 2.38 2.41 0.00 58 P 0.00 4.20 0.00 2.19 2.09 0.00 3.67 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 2.24 2.19 0.00 59 L 7.90 3.96 0.00 1.74 1.75 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 60 M 7.71 4.46 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.57 0.00 61 Q 8.09 4.14 0.00 2.37 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 62 C 8.60 4.16 0.00 2.92 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 63 T 8.61 3.94 4.46 0.00 0.00 0.00 0.00 0.00 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 64 A 7.84 4.02 1.62 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 65 W 8.01 3.97 0.00 3.43 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.53 4.48 0.00 2.13 2.06 1.08 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.35 4.40 0.00 2.94 2.92 0.00 0.00 7.01 7.48 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 68 A 7.70 3.53 0.38 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 69 Y 7.71 3.44 0.00 1.43 2.54 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 70 F 8.24 4.12 0.00 2.89 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 71 H 8.15 4.85 0.00 3.11 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.99 4.63 0.00 1.97 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.82 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 73 P 0.00 3.85 0.00 1.32 1.62 0.00 3.71 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 1.80 1.81 0.00 74 E 7.88 3.89 0.00 1.90 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 2.29 2.36 0.00 75 A 7.28 4.61 1.29 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 0.00 0.00 76 I 7.19 3.51 1.35 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.76 0.72 0.00 0.00 77 E 8.03 4.31 0.00 2.04 2.03 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 2.38 2.38 0.00 78 E 7.88 4.22 0.00 2.35 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 0.00 2.33 2.30 0.00 79 F 7.87 4.70 0.00 3.10 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 80 P 0.00 4.43 0.00 2.20 2.07 0.00 3.78 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.95 0.00 81 V 8.19 3.68 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 0.42 0.00 0.00 0.91 0.00 0.00 82 P 0.00 4.47 0.00 2.12 2.00 0.00 3.44 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 83 A 8.20 4.05 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 84 L 8.22 4.40 0.00 0.92 0.33 -0.27 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 85 H 8.62 4.69 0.00 3.46 3.35 0.00 5.82 0.00 0.00 0.00 0.00 6.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 H 8.66 4.61 0.00 3.22 3.48 0.00 5.76 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.17 0.00 1.98 2.03 0.00 2.88 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 1.98 2.09 0.00 88 V 7.76 3.31 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 -0.48 0.00 0.00 0.67 0.00 0.00 89 F 8.06 4.73 0.00 3.29 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.18 4.18 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.67 0.00 91 Q 7.25 4.31 0.00 1.82 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 92 E 8.42 4.46 0.00 1.86 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 2.15 2.29 0.00 93 S 8.01 4.62 0.00 3.83 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 F 8.96 4.41 0.00 3.07 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 95 T 8.11 3.55 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 1.07 0.00 0.00 96 R 8.00 3.87 0.00 1.92 2.07 0.00 3.34 0.00 0.00 3.54 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 97 Q 8.17 4.06 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.46 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 98 V 7.40 3.78 1.83 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 0.58 0.00 0.00 -0.18 0.00 0.00 99 L 7.85 4.09 0.00 2.08 1.86 0.72 0.81 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 0.00 100 W 8.74 3.81 0.00 3.68 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 0.00 101 K 9.77 4.19 0.00 2.21 1.81 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.53 7.81 102 L 7.85 4.00 0.00 2.06 1.59 0.80 0.24 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 0.00 103 L 7.63 4.19 0.00 1.66 1.56 0.74 -0.11 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 0.00 104 K 7.44 4.39 0.00 1.89 1.91 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.62 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.56 7.81 105 V 7.63 4.23 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 0.79 0.00 0.00 0.96 0.00 0.00 106 V 6.94 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 0.84 0.00 0.00 0.94 0.00 0.00 107 K 8.78 4.39 0.00 1.94 1.82 0.00 1.88 0.00 0.00 1.61 0.00 0.00 3.10 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.50 7.81 108 F 8.69 4.22 0.00 2.92 3.04 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 0.00 109 G 9.10 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 7.11 4.08 0.00 2.09 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 0.00 2.35 2.27 0.00 111 V 7.91 4.71 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 0.88 0.00 0.00 0.94 0.00 0.00 112 I 8.61 4.69 1.87 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 1.11 1.18 0.87 0.00 0.00 113 S 8.61 5.44 0.00 4.02 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 0.00 114 Y 9.39 4.01 0.00 3.00 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 0.00 115 Q 8.12 3.99 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 116 Q 8.33 4.05 0.00 2.40 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.71 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 117 L 8.17 3.95 0.00 1.73 1.81 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.80 4.34 1.67 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 0.00 0.00 119 A 8.06 4.11 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.42 3.99 0.00 1.84 1.80 1.00 0.84 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 0.00 121 A 8.23 4.54 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 0.00 122 G 8.99 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 0.00 123 N 9.50 4.17 0.00 2.65 2.48 0.00 0.00 6.64 7.71 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 0.00 124 P 0.00 4.46 0.00 2.24 2.19 0.00 3.80 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 125 K 8.03 4.33 0.00 1.90 1.86 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.37 7.81 126 A 7.26 4.67 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.95 4.41 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.19 3.83 0.00 1.91 2.00 0.00 3.18 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 129 A 8.11 4.20 1.60 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 0.00 0.00 130 V 8.24 3.63 2.39 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 0.75 0.00 0.00 1.25 0.00 0.00 131 G 8.13 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 0.00 132 G 8.22 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 0.00 0.00 0.00 133 A 7.90 3.92 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 0.00 134 M 8.07 4.05 0.00 1.90 2.18 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.91 0.00 135 R 7.93 3.97 0.00 1.93 2.04 0.00 3.03 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 136 G 7.62 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 0.00 0.00 0.00 137 N 7.61 4.30 0.00 2.58 2.75 0.00 0.00 7.16 7.24 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 0.00 138 P 0.00 4.39 0.00 2.27 1.89 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.77 0.00 139 V 7.61 4.16 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 0.72 0.00 0.00 0.97 0.00 0.00 140 P 0.00 4.85 0.00 2.34 2.05 0.00 3.62 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 141 I 8.58 3.77 1.94 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.58 0.76 0.00 0.00 142 L 7.68 2.84 0.00 1.03 1.47 -0.97 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.56 4.11 1.96 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 1.16 0.77 0.84 0.00 0.00 144 P 0.00 4.68 0.00 2.01 2.13 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.95 0.00 145 C 7.81 4.27 0.00 2.93 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 0.00 146 H 8.09 4.88 0.00 3.49 4.08 0.00 5.27 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 R 7.76 4.06 0.00 1.73 2.22 0.00 3.63 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.53 0.00 148 V 7.05 4.15 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 -0.28 0.00 0.00 0.70 0.00 0.00 149 V 8.84 4.87 2.32 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 0.76 0.00 0.00 1.07 0.00 0.00 150 C 8.46 4.34 0.00 2.90 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 0.00 151 S 8.79 4.22 0.00 3.86 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 S 8.20 4.15 0.00 3.85 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 0.00 153 G 7.25 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 0.00 0.00 0.00 154 A 7.79 4.56 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 0.00 155 V 8.23 3.90 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 0.88 0.00 0.00 1.00 0.00 0.00 156 G 8.14 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 0.00 157 N 8.44 5.22 0.00 2.77 2.83 0.00 0.00 6.48 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 Y 7.99 4.68 0.00 2.92 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 0.00 159 S 8.56 4.28 0.00 3.80 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 0.00 160 G 8.28 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 0.00 161 G 8.30 4.09 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 0.00 162 L 8.68 4.03 0.00 1.79 1.74 1.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 163 A 8.12 4.02 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 0.00 164 V 7.69 3.54 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.04 0.00 0.00 165 K 7.64 3.59 0.00 1.67 1.89 0.00 2.25 0.00 0.00 2.06 0.00 0.00 3.18 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.58 1.64 7.81 166 E 8.11 3.96 0.00 2.33 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 2.58 2.50 0.00 167 W 8.33 4.14 0.00 3.45 3.24 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 0.00 168 L 8.42 4.68 0.00 1.90 1.62 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 169 L 7.95 3.97 0.00 1.79 1.83 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 170 A 8.50 3.93 1.14 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 0.00 171 H 8.36 3.17 0.00 1.40 2.92 0.00 5.95 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 E 7.75 3.82 0.00 1.83 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 2.39 2.63 0.00 173 G 9.14 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 H 7.71 4.44 0.00 3.03 3.06 0.00 5.74 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.