NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4568 8.1933 115.5558 58.5074 63.6302 172.7212 5 N 5.0964 8.5804 124.4762 50.9641 41.0031 168.8595 6 V 4.6018 9.2694 119.0894 61.4098 36.4664 173.5824 7 V 4.9550 8.3823 123.6863 61.0784 34.4871 174.1978 8 L 5.3304 9.0376 127.4018 53.0739 43.9173 175.4144 9 V 4.8047 8.6372 125.0672 61.6356 32.8456 176.1037 10 S 4.8026 8.8184 123.0179 57.5651 64.5778 175.3297 11 G 3.6147 8.6018 108.4157 48.0599 0.0000 174.4868 12 E 4.2385 7.9425 117.8919 56.3962 29.6261 177.1393 13 G 3.9529 8.0217 106.9857 45.1914 0.0000 173.2823 14 E 4.4030 7.9317 118.9596 55.3081 31.3595 175.3652 15 R 4.7379 8.2332 122.1987 55.0632 31.8566 175.6852 16 F 4.7515 8.8466 121.8204 56.0174 41.8351 174.3078 17 T 5.0754 8.6800 121.0899 62.2317 69.8188 174.5359 18 V 4.6349 8.8457 125.0398 59.7156 35.9164 174.0188 19 D 4.5992 8.7218 120.7899 54.1839 41.9750 176.5352 20 K 3.8699 8.9418 127.9662 60.0637 31.9105 179.2126 21 K 4.0461 8.0526 116.3594 59.5110 32.3730 179.0062 22 I 3.8649 7.6776 118.6735 64.2787 37.0001 178.3152 23 A 4.1771 8.2459 121.4336 54.7191 18.0201 179.1239 24 E 4.1808 7.9701 116.0306 58.3884 29.5431 178.5092 25 R 4.1164 7.5689 118.4099 58.1325 30.4079 176.2561 26 S 4.4531 8.1253 114.7132 57.3807 63.3052 174.6900 27 L 4.0430 8.1917 128.2797 57.4897 41.1705 178.9652 28 L 3.7577 7.1658 118.1477 58.2859 41.9740 178.7776 29 L 4.0647 7.2862 117.0218 57.8283 41.6968 178.8159 30 K 3.8891 8.2077 118.3819 58.8906 32.4930 176.3818 31 N 4.1926 7.5282 115.3224 54.4364 39.7747 174.4514 32 Y 4.3148 7.7581 120.0752 57.9034 42.1672 172.8949 *74 E 3.9342 8.5354 126.0056 58.0482 31.1181 171.1101 75 I 3.1963 8.3842 126.6648 61.1990 35.1078 173.1003 76 V 4.8841 7.8800 124.6180 60.2317 32.8796 173.2350 77 M 4.5585 8.3793 126.2182 53.3675 33.6000 173.9007 78 P 4.7631 0.0000 0.0000 62.5443 32.3893 176.9125 79 V 4.4124 9.3860 123.8270 59.7290 30.5355 172.2923 80 P 4.0884 0.0000 0.0000 63.0431 32.2391 176.0468 81 N 4.0413 8.8744 120.8198 54.0460 35.7698 175.5331 82 V 4.0617 7.3003 118.0022 60.9319 33.0822 173.5064 83 R 4.2154 8.5926 125.7893 56.9712 30.6587 177.8634 84 S 4.2149 9.3922 119.8809 62.2315 62.8259 177.3606 85 S 4.3056 8.1086 115.8346 60.8482 62.8407 176.7255 86 V 3.5213 8.3619 122.8684 65.9701 31.3883 177.7562 87 L 3.8356 7.7509 119.5063 57.8147 41.8171 178.4355 88 Q 3.5228 7.6550 119.6575 59.1128 28.9803 178.4829 89 K 4.3997 7.6697 119.9806 59.2936 32.2055 179.0006 90 V 3.7589 7.9451 118.8076 66.1231 31.4352 178.0734 91 I 3.7907 7.9330 119.6277 64.2477 36.9207 177.8314 92 E 4.0053 8.8434 120.5051 59.2039 29.6438 178.3450 93 W 4.0260 8.4742 128.1821 60.7330 30.4061 177.7626 94 A 4.0331 8.5722 119.2565 55.1583 18.1453 179.2350 95 E 3.9516 8.5584 117.5283 59.7673 29.3645 178.6844 96 H 3.5323 7.6562 117.0050 59.0160 29.8693 175.8487 97 H 4.3127 7.0900 115.1204 54.9226 28.4540 176.8456 98 R 3.7574 6.8977 119.5882 59.0670 29.5208 177.4978 99 D 4.8512 7.5642 116.5032 53.2816 40.7606 176.3469 100 S 4.4583 7.8224 114.3062 56.5827 65.7943 174.3266 101 N 4.8125 8.0387 121.1153 51.4606 40.8542 173.9782 102 F 4.9996 8.2027 117.8610 54.6039 43.2673 174.5567 103 P 4.7149 0.0000 0.0000 63.1299 30.1629 175.3652 104 D 4.7007 8.4650 115.0261 54.6431 42.7590 175.2377 *112 K 4.1072 7.7076 117.7490 56.4099 33.1284 174.0028 113 S 4.5185 8.0960 113.1310 56.0830 65.6396 172.5815 114 A 4.0067 8.5979 124.9114 51.8001 17.6644 175.8809 115 P 4.5280 0.0000 0.0000 62.6457 32.1487 177.1812 116 V 3.8092 8.1800 120.1173 61.4108 32.0504 176.2065 117 D 4.4763 9.0085 122.2929 54.9582 42.1122 177.0285 118 S 4.1804 9.0288 120.3520 61.5622 62.2909 176.4922 119 W 3.9506 8.2915 130.1291 60.7990 30.8022 177.5430 120 D 4.9634 8.7474 118.2917 57.5415 39.9892 178.8808 121 R 3.9937 8.0213 118.8186 59.1872 30.3213 177.8961 122 E 3.9705 7.6933 118.8568 59.3315 29.5094 178.5180 123 F 3.8378 7.6796 119.0779 60.4969 39.3155 175.9723 124 L 4.3355 7.4762 115.5832 53.6810 42.9128 178.0840 125 K 4.2932 7.7389 122.2993 55.0892 30.3824 175.2211 126 V 4.4728 7.3626 116.0900 58.1138 36.1062 175.3426 127 D 4.6731 8.2057 119.6786 53.3092 41.6230 177.1438 128 Q 4.0133 8.5801 119.7461 59.1955 28.6857 178.8133 129 E 4.0837 8.1460 120.0000 59.2476 29.6320 178.4399 130 M 3.9551 7.7984 117.8744 58.5980 32.5225 177.6185 131 L 3.8460 8.0943 120.8118 58.5849 42.0933 178.5229 132 Y 4.0659 8.4532 119.3997 60.9215 38.7551 177.7080 133 E 3.7693 8.4581 119.5890 59.0506 29.4661 179.4043 134 I 3.6191 7.9513 120.3224 64.3109 37.0862 178.3666 135 I 3.5403 7.4764 120.1105 64.3937 36.9338 178.1200 136 L 3.7358 7.5777 119.5355 58.0544 41.4628 179.7813 137 A 3.9167 7.9997 120.1345 55.1454 18.3861 179.6308 138 A 4.0575 8.3541 119.7222 54.8387 18.3308 179.4974 139 N 4.1324 8.2906 116.1877 57.0953 38.9134 176.2667 140 Y 4.0236 8.3164 119.8087 60.6327 38.9712 177.5730 141 L 4.1722 8.6859 117.9553 53.7286 42.7918 175.5903 142 N 4.0844 7.9020 117.3187 54.9833 37.5878 174.9487 143 I 4.4965 7.3928 120.6673 59.0836 37.0806 176.8922 144 K 3.7432 8.1834 124.0578 59.0918 32.2683 176.6086 145 P 4.0901 0.0000 0.0000 64.7938 31.0112 178.3592 146 L 3.2816 7.3744 119.7131 57.2592 41.8790 178.2918 147 L 3.7930 7.4956 119.7571 58.2670 41.8969 178.2074 148 D 4.2900 8.3033 118.7995 57.5319 40.8331 178.6289 149 A 4.1169 7.9670 120.9370 55.2345 18.4006 179.7028 150 G 3.5909 8.3606 104.3696 48.3254 0.0000 175.3663 151 C 4.0424 8.3156 120.2627 62.4739 28.1715 176.5091 152 K 3.9773 8.2974 119.9592 59.4376 31.3677 179.6319 153 V 3.5794 7.7374 117.5506 65.9754 31.8485 177.6454 154 V 3.8062 7.7584 117.8408 66.3865 31.2638 177.9045 155 A 4.0886 8.4916 120.5179 55.0502 17.9486 179.1927 156 E 4.0033 8.1599 117.1972 59.4360 29.7116 178.5966 157 M 4.2438 7.8842 118.3927 58.1632 32.1270 178.2620 158 I 4.0000 7.6728 118.7936 62.6497 38.0409 176.6877 159 R 3.8084 7.5612 120.2267 57.8682 30.3077 177.6965 160 G 4.0326 8.9466 113.9272 46.4043 0.0000 174.0643 161 R 4.2012 7.8654 118.0739 56.4077 30.6881 176.2417 162 S 4.7377 8.0894 114.1855 56.0773 66.5409 173.1955 163 P 4.3807 0.0000 0.0000 65.9764 30.9255 178.5743 164 E 3.9268 8.2142 116.3078 59.5927 29.5204 178.8528 165 E 3.8757 7.8176 118.3570 59.8816 29.6787 179.5657 166 I 3.5294 8.4824 120.0124 64.3847 37.1571 178.1167 167 R 3.9523 8.0329 119.2332 60.0229 29.6706 178.6326 168 R 3.8951 7.9392 116.1184 59.5855 30.1191 179.0159 169 T 3.7882 7.5810 114.4119 65.3948 67.2873 175.0116 170 F 4.9273 7.3259 116.4835 56.2897 40.2809 174.8532 171 N 4.0922 8.5190 118.0304 54.4739 37.6527 173.9086 172 I 4.0585 7.0828 112.6242 59.6937 38.9246 174.9620 173 V 4.0004 7.9648 125.1261 61.0371 32.0067 175.2883 174 N 4.4487 8.7648 126.3438 54.2974 37.5580 173.7947 175 D 4.9058 7.9308 127.6722 52.6414 40.2379 176.5633 176 F 4.6588 8.1692 119.3873 57.7264 40.0097 176.8816 177 T 4.0855 8.6235 116.1555 61.1732 70.6248 173.4262 178 P 4.2770 0.0000 0.0000 66.0395 31.1521 178.4731 179 E 4.1023 8.0316 114.7543 59.1659 30.1034 178.3580 180 E 4.0989 8.4102 118.9774 59.3915 29.8769 178.3760 181 E 3.7806 8.9611 119.1451 59.1697 29.4724 178.5813 182 A 4.1564 8.4139 119.8974 53.6301 18.4631 178.6313 183 A 3.9944 7.4583 118.5271 52.5311 18.8254 177.9679 184 I 3.6962 7.3500 119.5824 61.1972 37.7946 176.5132 185 R 4.1057 8.4352 122.4084 56.5618 29.9858 176.4238 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 4 S 8.19 4.46 0.00 3.93 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 5 N 8.58 5.10 0.00 2.74 2.77 0.00 0.00 6.84 6.79 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 6 V 9.27 4.60 2.14 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 1.12 0.00 0.00 0.98 0.00 0.00 7 V 8.38 4.96 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 0.97 0.00 0.00 0.96 0.00 0.00 8 L 9.04 5.33 0.00 1.75 1.63 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.64 4.80 2.14 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 1.02 0.00 0.00 0.98 0.00 0.00 10 S 8.82 4.80 0.00 4.24 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 0.00 11 G 8.60 3.61 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 12 E 7.94 4.24 0.00 1.99 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 2.32 2.27 0.00 13 G 8.02 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 0.00 0.00 0.00 14 E 7.93 4.40 0.00 1.87 1.58 0.00 0.00 0.00 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 2.33 0.00 15 R 8.23 4.74 0.00 1.60 1.84 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 1.57 1.60 0.00 16 F 8.85 4.75 0.00 3.09 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 17 T 8.68 5.08 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 1.24 0.00 0.00 18 V 8.85 4.63 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 0.79 0.00 0.00 1.04 0.00 0.00 19 D 8.72 4.60 0.00 2.71 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 20 K 8.94 3.87 0.00 2.01 1.84 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.56 7.81 21 K 8.05 4.05 0.00 1.93 1.86 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.54 7.81 22 I 7.68 3.86 2.02 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 1.42 0.91 0.93 0.00 0.00 23 A 8.25 4.18 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.97 4.18 0.00 2.14 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 2.40 2.57 0.00 25 R 7.57 4.12 0.00 2.06 2.12 0.00 3.40 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 26 S 8.13 4.45 0.00 3.89 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 27 L 8.19 4.04 0.00 1.82 1.64 0.93 0.31 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 28 L 7.17 3.76 0.00 1.48 1.59 0.64 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.29 4.06 0.00 1.78 1.75 1.00 0.91 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 30 K 8.21 3.89 0.00 1.90 1.97 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.55 7.81 31 N 7.53 4.19 0.00 2.44 2.58 0.00 0.00 7.00 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.76 4.31 0.00 3.00 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 *74 E 8.54 3.93 0.00 1.97 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 2.21 2.33 0.00 75 I 8.38 3.20 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 1.22 0.97 0.90 0.00 0.00 76 V 7.88 4.88 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 1.23 0.00 0.00 0.95 0.00 0.00 77 M 8.38 4.56 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.79 0.00 78 P 0.00 4.76 0.00 2.00 2.02 0.00 3.69 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 79 V 9.39 4.41 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 0.67 0.00 0.00 0.99 0.00 0.00 80 P 0.00 4.09 0.00 1.87 1.97 0.00 3.94 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 2.12 2.17 0.00 81 N 8.87 4.04 0.00 2.72 2.83 0.00 0.00 6.76 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 82 V 7.30 4.06 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 0.91 0.00 0.00 0.66 0.00 0.00 83 R 8.59 4.22 0.00 2.04 1.90 0.00 3.23 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.69 0.00 84 S 9.39 4.21 0.00 3.99 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 0.00 85 S 8.11 4.31 0.00 4.08 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 0.00 86 V 8.36 3.52 2.19 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 0.93 0.00 0.00 0.94 0.00 0.00 87 L 7.75 3.84 0.00 1.64 1.30 0.84 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 7.66 3.52 0.00 2.43 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.70 0.00 89 K 7.67 4.40 0.00 2.23 1.89 0.00 1.67 0.00 0.00 1.42 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.84 7.81 90 V 7.95 3.76 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 0.88 0.00 0.00 0.99 0.00 0.00 91 I 7.93 3.79 2.07 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.60 0.99 0.00 0.00 92 E 8.84 4.01 0.00 2.26 2.45 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 2.68 2.55 0.00 93 W 8.47 4.03 0.00 2.89 3.36 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 94 A 8.57 4.03 1.53 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 0.00 0.00 95 E 8.56 3.95 0.00 1.97 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 2.33 2.47 0.00 96 H 7.66 3.53 0.00 2.28 2.36 0.00 5.74 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.09 4.31 0.00 2.35 2.82 0.00 5.71 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 6.90 3.76 0.00 1.86 2.10 0.00 2.93 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 99 D 7.56 4.85 0.00 2.52 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.82 4.46 0.00 3.58 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 0.00 101 N 8.04 4.81 0.00 2.52 2.64 0.00 0.00 6.80 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 F 8.20 5.00 0.00 2.95 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 0.00 103 P 0.00 4.71 0.00 2.23 2.19 0.00 3.90 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 2.11 2.10 0.00 104 D 8.46 4.70 0.00 2.63 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 *112 K 7.71 4.11 0.00 1.78 1.82 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.40 7.81 113 S 8.10 4.52 0.00 3.78 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 0.00 114 A 8.60 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.53 0.00 2.10 2.04 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 116 V 8.18 3.81 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 0.77 0.00 0.00 1.07 0.00 0.00 117 D 9.01 4.48 0.00 3.01 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 0.00 118 S 9.03 4.18 0.00 4.00 3.97 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 0.00 119 W 8.29 3.95 0.00 3.39 3.26 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 0.00 120 D 8.75 4.96 0.00 3.19 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 0.00 121 R 8.02 3.99 0.00 2.07 2.07 0.00 3.29 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 122 E 7.69 3.97 0.00 1.84 1.63 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 2.16 2.23 0.00 123 F 7.68 3.84 0.00 1.94 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 0.00 124 L 7.48 4.34 0.00 1.78 1.65 1.09 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 125 K 7.74 4.29 0.00 1.85 1.74 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.45 7.81 126 V 7.36 4.47 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 0.64 0.00 0.00 0.86 0.00 0.00 127 D 8.21 4.67 0.00 2.86 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 0.00 128 Q 8.58 4.01 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.94 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 129 E 8.15 4.08 0.00 2.00 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 2.35 2.30 0.00 130 M 7.80 3.96 0.00 2.42 2.06 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 131 L 8.09 3.85 0.00 1.78 1.88 0.89 1.17 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 0.00 132 Y 8.45 4.07 0.00 3.05 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 0.00 133 E 8.46 3.77 0.00 2.03 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 2.30 2.45 0.00 134 I 7.95 3.62 2.01 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.63 0.88 0.00 0.00 135 I 7.48 3.54 1.90 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 1.45 0.79 0.81 0.00 0.00 136 L 7.58 3.74 0.00 1.52 1.53 0.52 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.00 3.92 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 0.00 138 A 8.35 4.06 1.20 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 0.00 0.00 139 N 8.29 4.13 0.00 2.76 2.91 0.00 0.00 6.72 7.92 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 0.00 140 Y 8.32 4.02 0.00 2.89 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 0.00 141 L 8.69 4.17 0.00 2.03 1.67 1.07 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 142 N 7.90 4.08 0.00 2.79 2.72 0.00 0.00 6.94 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 0.00 143 I 7.39 4.50 1.63 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 1.47 0.57 0.76 0.00 0.00 144 K 8.18 3.74 0.00 1.76 1.79 0.00 1.48 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.55 7.81 145 P 0.00 4.09 0.00 1.74 0.71 0.00 3.38 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 146 L 7.37 3.28 0.00 0.27 1.18 0.11 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.50 3.79 0.00 1.65 1.69 0.84 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 148 D 8.30 4.29 0.00 2.84 2.68 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 0.00 149 A 7.97 4.12 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 0.00 150 G 8.36 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 C 8.32 4.04 0.00 3.12 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 0.00 152 K 8.30 3.98 0.00 2.01 1.90 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.47 7.81 153 V 7.74 3.58 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 0.82 0.00 0.00 0.98 0.00 0.00 154 V 7.76 3.81 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 0.96 0.00 0.00 1.02 0.00 0.00 155 A 8.49 4.09 1.38 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 0.00 156 E 8.16 4.00 0.00 2.18 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 0.00 2.35 2.41 0.00 157 M 7.88 4.24 0.00 2.10 2.48 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.60 0.00 158 I 7.67 4.00 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.73 0.97 0.00 0.00 159 R 7.56 3.81 0.00 1.98 1.98 0.00 3.20 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 160 G 8.95 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 0.00 161 R 7.87 4.20 0.00 1.90 1.88 0.00 3.47 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 1.83 1.77 0.00 162 S 8.09 4.74 0.00 4.03 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 0.00 163 P 0.00 4.38 0.00 2.19 2.19 0.00 3.61 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 2.12 2.21 0.00 164 E 8.21 3.93 0.00 1.97 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 2.42 2.36 0.00 165 E 7.82 3.88 0.00 2.21 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 2.32 2.39 0.00 166 I 8.48 3.53 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.16 1.11 0.00 0.00 167 R 8.03 3.95 0.00 2.08 2.12 0.00 3.12 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 168 R 7.94 3.90 0.00 1.92 1.92 0.00 3.36 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 169 T 7.58 3.79 3.59 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 0.00 0.00 0.00 0.68 0.00 0.00 170 F 7.33 4.93 0.00 3.08 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 0.00 171 N 8.52 4.09 0.00 2.81 2.90 0.00 0.00 7.03 7.82 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 0.00 172 I 7.08 4.06 1.88 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 1.23 0.84 1.04 0.00 0.00 173 V 7.96 4.00 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 0.80 0.00 0.00 0.91 0.00 0.00 174 N 8.76 4.45 0.00 2.77 2.80 0.00 0.00 7.10 8.47 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 0.00 175 D 7.93 4.91 0.00 2.69 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 0.00 176 F 8.17 4.66 0.00 3.28 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 0.00 177 T 8.62 4.09 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 1.26 0.00 0.00 178 P 0.00 4.28 0.00 2.19 2.20 0.00 3.61 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 179 E 8.03 4.10 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 180 E 8.41 4.10 0.00 2.15 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 2.43 2.64 0.00 181 E 8.96 3.78 0.00 2.26 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 2.32 2.44 0.00 182 A 8.41 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 183 A 7.46 3.99 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 0.00 184 I 7.35 3.70 1.82 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.37 0.87 0.00 0.00 185 R 8.44 4.11 0.00 1.75 1.82 0.00 3.26 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 * Residues marked with a * may have inaccurate shift predictions.