NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 N 4.6704 8.3829 117.7865 52.3615 39.2467 174.8908 10 K 4.6225 8.5169 123.8461 53.0450 31.9597 172.0859 11 N 4.5515 8.0443 117.5061 54.2609 39.9211 174.0760 12 L 4.1937 8.5347 125.5653 54.6331 43.6694 175.1234 13 I 5.0016 9.0600 127.5456 59.6171 40.2484 174.4989 14 I 5.1741 8.5284 127.4758 59.6334 39.7994 174.6379 15 T 5.2781 9.2219 116.6646 60.0170 71.7354 172.7122 16 I 4.9949 9.5935 127.3166 59.5648 39.4658 174.5651 17 E 5.2822 8.7744 126.2259 54.8666 33.2585 175.0508 18 R 3.9735 7.8981 115.1870 55.7363 31.6545 174.3533 19 E 4.7182 8.2936 119.7729 56.4774 30.9717 176.0005 20 Y 4.2661 8.7823 124.6805 59.2640 39.3153 176.2394 21 G 3.8028 8.7793 115.0925 45.4615 0.0000 174.2713 22 S 4.4258 7.5228 112.9093 57.2606 64.0661 174.4546 23 G 3.8233 8.0479 109.5736 46.8272 0.0000 176.3610 24 G 3.5657 8.2408 107.6459 47.5312 0.0000 175.4352 25 R 4.0878 8.0679 121.1447 59.2730 30.0145 177.9741 26 I 3.5927 7.8163 118.8288 64.7285 37.0100 178.1295 27 V 3.6595 7.9146 118.6950 66.0851 31.2814 178.2151 28 G 3.9422 8.4522 105.6908 47.9316 0.0000 175.8590 29 K 3.1952 8.1350 121.2020 58.6054 31.9047 179.0825 30 K 3.7264 7.7808 119.8964 59.6377 31.9964 178.2775 31 L 4.1426 7.6427 118.4771 58.0275 41.6648 179.1020 32 A 4.1401 8.1981 122.7101 56.8974 18.1813 179.5764 33 E 3.8646 8.6281 116.8213 60.4165 29.4674 180.6797 34 E 3.8567 8.9890 123.8726 58.5758 30.0485 178.3879 35 L 4.5005 7.9983 115.9068 53.5601 42.7829 176.3293 36 G 3.8572 8.6971 107.1769 46.8397 0.0000 173.5363 37 I 4.6313 7.5086 118.9084 58.9366 40.2214 176.0167 38 H 4.2691 8.7741 122.3765 56.0908 30.1486 173.9745 39 F 4.9204 7.8499 121.5212 56.7053 42.4342 173.4267 40 Y 4.6596 8.0312 123.2263 56.3046 41.7907 174.5945 41 D 5.0821 8.3576 123.2930 50.7639 42.1318 176.5409 42 D 4.4207 9.0353 117.2493 58.3449 40.5342 179.1437 43 D 4.8287 8.2357 118.0851 57.6035 41.0414 179.0163 44 I 3.8309 8.6452 123.0267 64.8606 37.0919 179.1254 45 L 4.1033 8.4614 125.9945 60.2472 39.4473 181.4308 46 K 4.1355 9.6164 127.4162 60.7416 31.3688 181.4057 47 L 4.3314 8.2963 123.3913 58.7254 40.8635 181.4776 48 A 4.3472 7.6918 120.9238 57.2318 18.5224 179.7072 49 S 3.7474 8.7675 117.0458 63.9086 62.2408 181.8166 50 E 2.9651 7.6665 116.4435 55.1528 32.3132 180.6288 51 K 4.3344 7.7866 121.4303 53.5465 32.2215 178.1238 *94 S 4.4028 7.6008 122.6484 57.7820 64.1765 175.0854 95 P 4.7434 0.0000 0.0000 64.6342 30.9855 177.0654 96 E 5.0036 8.1967 115.8517 59.0702 31.7728 177.7262 97 N 4.3780 8.5566 115.8792 56.5398 38.6111 176.5784 98 L 4.0795 7.7615 120.4382 58.6480 42.0552 179.0188 99 F 4.0671 8.0558 120.2089 61.0616 39.0929 177.4332 100 K 3.8653 8.1318 116.6924 59.8739 32.2194 178.4675 101 F 4.1315 8.4480 118.0558 59.9664 38.9083 177.2015 102 Q 3.8325 8.2973 118.2208 59.6247 28.8440 179.8062 103 S 3.8848 7.3276 114.3852 61.6747 63.1804 176.0768 104 E 4.0271 7.8917 121.5033 59.1127 29.2517 179.6657 105 V 3.4502 7.1351 114.4898 63.6914 31.5168 177.6729 *107 R 4.2276 7.9776 117.8954 55.8099 32.1963 177.8847 108 E 3.9445 8.2301 117.3099 59.1507 29.4829 179.2308 109 L 3.9088 8.3004 119.2368 57.9404 41.5307 179.4883 110 A 4.2856 8.0841 118.5396 55.3524 18.3920 179.0447 111 E 4.1570 8.3692 119.1334 60.1435 29.6475 179.9709 112 S 4.3888 8.1955 118.3452 62.2154 62.6425 176.2284 113 E 5.1271 7.2630 116.1287 54.4637 32.4495 173.9848 114 P 4.7166 0.0000 0.0000 63.6138 32.2097 174.9981 115 C 4.8985 8.4164 114.3917 57.8803 33.5157 172.2758 116 I 4.8815 8.4415 121.3160 59.7024 39.3315 174.6286 117 F 5.1840 9.2256 125.8909 55.7575 41.2764 174.6746 118 V 4.6697 8.8425 124.4128 62.6174 33.0809 176.0852 119 G 3.9260 8.9660 114.0569 46.0601 0.0000 172.7277 120 R 3.7913 8.9822 116.2498 58.2865 26.8004 176.3421 121 A 4.6063 8.9167 116.7589 51.5499 17.2492 179.8120 122 A 4.1159 8.2524 120.3823 57.6123 18.3757 180.1948 123 G 4.0397 8.6085 102.9417 48.2837 0.0000 174.8634 124 Y 4.0815 8.1447 122.0611 60.4479 39.2266 178.2082 125 V 3.6102 8.3939 121.4722 66.6702 31.4556 178.3183 126 L 3.8697 8.4145 122.5464 59.3081 40.5289 181.0778 127 D 4.4246 7.4581 115.4791 57.6122 41.1482 177.3636 128 Q 3.7968 7.7093 118.1382 58.6932 28.8419 175.4195 129 D 4.2892 7.4154 120.2344 54.4163 40.6059 176.7392 130 E 4.0460 8.5476 126.7067 58.8476 29.8582 178.6482 131 D 4.4252 8.3813 118.8091 56.8909 41.0558 177.2367 132 I 3.7194 7.4914 120.6853 61.6191 37.0681 175.3891 133 E 4.5088 8.1007 125.3779 56.2599 30.7957 176.3674 134 R 3.9906 7.2782 116.4424 54.4544 31.4750 172.4332 135 L 5.2253 8.1057 123.1871 53.1318 44.7848 175.0392 136 I 5.0479 8.9791 125.6763 59.7120 40.9894 174.3774 137 R 5.2765 9.4154 125.8394 54.5808 32.9507 175.1666 138 I 5.1086 8.8734 123.3811 59.4728 41.9348 174.0851 139 F 4.6866 8.6141 127.2428 56.2783 42.0557 173.8772 140 V 4.5936 8.1796 127.4696 62.2767 33.1233 174.2474 141 Y 5.1692 8.2459 123.8772 57.0336 41.7354 172.7086 142 T 5.0282 8.7857 114.0305 60.9216 71.0481 172.5800 143 D 4.6635 8.9450 126.8740 53.2605 40.6343 178.3002 144 K 4.0069 8.8154 124.4390 60.1230 31.6138 179.5385 145 V 3.7937 7.8629 119.2109 65.9295 31.3178 177.9076 146 K 3.9883 8.2207 119.1797 59.2719 32.0561 178.8024 147 K 4.4688 7.8893 120.3354 58.8047 32.3706 179.5731 148 V 3.5665 7.3875 118.9738 66.0662 31.5904 177.4505 149 Q 4.1448 7.8496 116.3750 59.0210 28.7891 178.7740 150 R 4.0227 8.1082 119.4939 59.3911 30.0574 179.4648 151 V 3.5805 7.9357 116.3236 63.8791 31.8453 177.3846 *153 E 4.2187 8.1199 116.2237 56.0406 31.3021 178.1496 154 V 3.5893 8.0200 117.4732 66.3299 31.5647 176.9321 155 D 4.4851 8.4106 116.7399 54.1262 41.4644 175.9234 156 C 4.0762 7.5463 119.2703 59.8980 29.9067 170.8604 157 I 4.7100 7.0064 112.0610 58.8970 41.1481 175.0645 158 D 4.5510 8.4303 120.2143 54.1854 41.6067 177.5166 159 E 3.9893 9.0710 123.6056 60.2992 29.4605 179.4221 160 E 3.9564 8.1595 117.5513 61.5048 29.8195 180.9513 161 R 4.0995 8.0809 118.3655 58.7634 30.0180 179.1471 162 A 4.0095 8.2665 121.0156 55.0667 18.5469 179.4487 163 K 3.8505 8.4925 117.4305 59.9451 32.1211 179.6326 164 R 3.9183 8.2100 118.0409 59.4241 29.9647 179.2368 165 R 3.8191 8.2577 118.4842 59.1775 30.0040 178.6478 166 I 3.7908 8.0431 119.9428 64.3814 37.2746 178.3982 167 K 3.9761 8.1107 119.2699 59.2639 31.8287 179.3445 168 K 3.8506 8.2018 119.8901 59.6940 32.2231 179.0487 169 I 3.5050 7.6990 120.2651 64.1411 36.7937 178.4091 170 E 3.5664 8.1234 119.4125 59.1670 29.3557 178.9815 171 K 3.7553 7.7237 119.1401 59.8831 32.1472 178.4038 172 E 3.9278 8.0309 118.4670 59.5554 29.3318 179.6243 173 R 3.7500 7.5291 117.9893 58.5254 29.8500 179.2914 174 K 4.0915 7.9128 118.6733 59.6201 32.1796 179.2023 175 E 3.9981 8.0963 118.8056 59.5161 29.1464 178.7927 176 Y 4.1368 7.9443 118.4420 60.8644 39.1066 177.2985 177 Y 4.1921 8.3061 120.3203 60.8582 39.0407 178.1170 178 K 4.6295 8.6138 122.0779 59.0088 32.0126 178.1533 179 Y 3.7202 7.8972 119.4690 59.4055 38.6281 176.7379 180 F 4.3679 7.0458 115.6513 56.8921 39.5203 176.1745 181 T 3.4458 7.0475 106.1146 60.0767 71.8891 175.0889 182 G 3.6725 7.5428 108.6062 45.7566 0.0000 172.8016 183 S 4.7685 7.7640 114.7788 56.4031 64.7230 171.6438 184 E 5.1099 8.3954 119.8334 54.0625 31.2335 176.9430 185 W 2.8714 9.1511 133.9461 60.2583 30.8284 176.6262 186 H 3.3851 7.8539 115.5223 55.9404 30.1509 173.9306 187 S 4.7430 6.9123 114.7239 56.0537 64.4009 173.5732 *189 K 4.2937 8.4707 115.9056 57.0587 34.0236 175.9036 190 N 4.6406 7.9654 115.6828 53.3044 38.4682 174.2624 191 Y 4.9487 7.2298 114.7460 56.4437 42.2158 174.9256 192 D 4.5766 9.0516 123.0318 57.0345 42.0449 176.5761 193 L 4.4884 8.3660 123.2960 52.5522 44.3444 173.4700 194 P 4.9861 0.0000 0.0000 62.4140 32.5429 176.0690 195 I 4.4787 9.3805 124.5458 59.4876 40.8864 173.9825 196 N 3.6585 8.4499 126.2132 52.0641 39.0449 174.6495 197 T 4.1444 8.5157 116.9584 62.1943 69.7363 176.8950 198 T 3.7935 7.6031 120.0225 66.6088 68.4628 174.9215 199 K 4.5093 7.9043 116.6427 55.7220 32.7501 175.2458 200 L 4.8274 7.8207 120.2692 52.6821 43.4076 177.4506 201 T 4.0032 8.8841 115.3601 61.2962 70.6234 174.7145 202 L 3.8508 8.5071 123.9136 58.8310 41.9067 179.3318 203 E 3.9617 8.1213 117.5250 59.5114 29.4704 178.9256 204 E 3.9729 8.0596 118.1072 59.7291 29.4529 179.7071 205 T 3.7961 7.8485 115.3931 66.6603 68.7239 176.4682 206 A 3.9942 8.0296 122.6017 55.4107 18.3250 179.3797 207 E 3.8794 8.5876 117.9911 59.2139 29.7618 178.5737 208 L 3.9861 7.9807 120.4222 58.4676 42.1279 179.1128 209 I 3.8084 7.9638 119.5856 64.3733 36.9197 178.6265 210 K 4.1074 8.1221 119.0177 59.0955 31.8834 179.1483 211 A 3.9910 8.6243 121.7008 55.2742 18.1655 179.0313 212 Y 3.8403 8.0738 117.7950 61.0064 38.9253 178.0918 213 I 3.7315 8.0042 120.6840 64.8251 37.2336 178.6209 214 R 3.9235 8.2777 118.8368 59.0250 29.6282 178.8970 215 L 3.8189 7.4867 119.3486 57.9370 42.2118 178.7767 216 K 3.6625 7.6337 116.4822 56.3418 31.8191 177.3823 217 G 3.8083 7.2775 107.0905 46.4971 0.0000 173.9222 218 F 4.8689 8.2403 124.3882 57.4702 39.0059 175.9250 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 9 N 8.38 4.67 0.00 2.67 2.78 0.00 0.00 6.82 6.63 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 10 K 8.52 4.62 0.00 1.84 1.70 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.30 1.09 7.81 11 N 8.04 4.55 0.00 2.59 2.80 0.00 0.00 7.02 7.85 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 12 L 8.53 4.19 0.00 1.79 1.57 1.05 1.07 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 13 I 9.06 5.00 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.69 1.20 0.00 0.00 14 I 8.53 5.17 1.97 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 1.39 1.21 1.02 0.00 0.00 15 T 9.22 5.28 4.45 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 1.40 0.00 0.00 16 I 9.59 4.99 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.90 0.89 0.00 0.00 17 E 8.77 5.28 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 18 R 7.90 3.97 0.00 1.63 1.58 0.00 2.81 0.00 0.00 3.94 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.37 0.00 19 E 8.29 4.72 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.59 0.00 20 Y 8.78 4.27 0.00 2.96 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 21 G 8.78 3.80 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 0.00 0.00 0.00 22 S 7.52 4.43 0.00 3.94 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 23 G 8.05 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.24 3.57 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 0.00 0.00 0.00 25 R 8.07 4.09 0.00 1.97 2.00 0.00 3.32 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.05 0.00 26 I 7.82 3.59 2.02 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.64 0.86 0.00 0.00 27 V 7.91 3.66 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 1.00 0.00 0.00 0.95 0.00 0.00 28 G 8.45 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 0.00 0.00 0.00 29 K 8.13 3.20 0.00 1.62 1.46 0.00 1.44 0.00 0.00 1.25 0.00 0.00 2.43 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 0.74 7.81 30 K 7.78 3.73 0.00 1.82 1.77 0.00 1.49 0.00 0.00 1.60 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.62 7.81 31 L 7.64 4.14 0.00 1.99 1.77 0.98 1.20 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 32 A 8.20 4.14 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 33 E 8.63 3.86 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.19 0.00 34 E 8.99 3.86 0.00 2.03 2.05 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 2.33 2.32 0.00 35 L 8.00 4.50 0.00 1.78 1.68 0.97 0.93 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 36 G 8.70 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 37 I 7.51 4.63 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.01 0.94 0.00 0.00 38 H 8.77 4.27 0.00 3.20 2.84 0.00 5.56 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 F 7.85 4.92 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 40 Y 8.03 4.66 0.00 2.70 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.36 5.08 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 42 D 9.04 4.42 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 43 D 8.24 4.83 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 44 I 8.65 3.83 1.99 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 1.46 1.31 1.04 0.00 0.00 45 L 8.46 4.10 0.00 1.63 1.68 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 46 K 9.62 4.14 0.00 1.76 1.83 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.35 7.81 47 L 8.30 4.33 0.00 1.72 1.63 0.92 1.19 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 48 A 7.69 4.35 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 49 S 8.77 3.75 0.00 3.72 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 50 E 7.67 2.97 0.00 2.17 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 0.00 2.24 2.17 0.00 51 K 7.79 4.33 0.00 1.73 1.61 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.24 0.95 7.81 *94 S 7.60 4.40 0.00 3.67 3.82 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 0.00 0.00 0.00 0.00 95 P 0.00 4.74 0.00 2.08 1.98 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.61 0.00 96 E 8.20 5.00 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 97 N 8.56 4.38 0.00 2.88 3.03 0.00 0.00 6.70 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.76 4.08 0.00 2.09 2.02 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 99 F 8.06 4.07 0.00 2.52 3.02 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 0.00 100 K 8.13 3.87 0.00 1.87 1.75 0.00 1.83 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.70 7.81 101 F 8.45 4.13 0.00 3.35 2.89 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 0.00 0.00 0.00 102 Q 8.30 3.83 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 103 S 7.33 3.88 0.00 3.76 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 7.89 4.03 0.00 1.98 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 0.00 2.37 2.33 0.00 105 V 7.14 3.45 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 0.95 0.00 0.00 0.98 0.00 0.00 *107 R 7.98 4.23 0.00 2.00 2.06 0.00 3.07 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.77 0.00 108 E 8.23 3.94 0.00 2.23 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 2.32 0.00 109 L 8.30 3.91 0.00 1.75 1.60 -0.14 0.79 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 0.00 110 A 8.08 4.29 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.37 4.16 0.00 2.03 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 2.33 2.32 0.00 112 S 8.20 4.39 0.00 3.71 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 0.00 113 E 7.26 5.13 0.00 2.02 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 2.29 2.38 0.00 114 P 0.00 4.72 0.00 2.12 2.12 0.00 3.84 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 115 C 8.42 4.90 0.00 2.94 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 0.00 116 I 8.44 4.88 1.95 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.83 1.00 0.00 0.00 117 F 9.23 5.18 0.00 2.98 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 0.00 118 V 8.84 4.67 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 1.08 0.00 0.00 1.03 0.00 0.00 119 G 8.97 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 0.00 0.00 0.00 120 R 8.98 3.79 0.00 2.15 2.08 0.00 3.29 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.76 0.00 121 A 8.92 4.61 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.25 4.12 1.52 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 0.00 0.00 123 G 8.61 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 0.00 124 Y 8.14 4.08 0.00 2.96 3.02 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 0.00 125 V 8.39 3.61 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 0.82 0.00 0.00 1.22 0.00 0.00 126 L 8.41 3.87 0.00 1.67 1.69 0.92 1.23 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 0.00 127 D 7.46 4.42 0.00 2.81 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 0.00 128 Q 7.71 3.80 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.19 0.00 129 D 7.42 4.29 0.00 2.70 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 0.00 130 E 8.55 4.05 0.00 1.97 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 2.28 2.39 0.00 131 D 8.38 4.43 0.00 2.77 2.70 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 0.00 132 I 7.49 3.72 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.52 0.92 0.00 0.00 133 E 8.10 4.51 0.00 1.79 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 2.21 2.23 0.00 134 R 7.28 3.99 0.00 1.55 0.66 0.00 3.02 0.00 0.00 2.44 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.27 0.00 135 L 8.11 5.23 0.00 1.64 1.59 1.01 1.07 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 0.00 136 I 8.98 5.05 2.08 0.00 0.00 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 1.67 1.04 1.08 0.00 0.00 137 R 9.42 5.28 0.00 2.08 2.10 0.00 3.12 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 138 I 8.87 5.11 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.76 0.92 0.00 0.00 139 F 8.61 4.69 0.00 1.62 2.37 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 0.00 0.00 0.00 0.00 140 V 8.18 4.59 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 0.79 0.00 0.00 0.82 0.00 0.00 141 Y 8.25 5.17 0.00 3.50 3.10 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 0.00 0.00 0.00 142 T 8.79 5.03 4.18 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 0.00 0.00 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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 1.33 0.00 0.00 0.99 0.00 0.00 *153 E 8.12 4.22 0.00 2.30 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 2.29 2.35 0.00 154 V 8.02 3.59 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 0.73 0.00 0.00 0.89 0.00 0.00 155 D 8.41 4.49 0.00 2.86 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 C 7.55 4.08 0.00 3.01 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 0.00 157 I 7.01 4.71 1.89 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 0.80 0.98 0.00 0.00 158 D 8.43 4.55 0.00 2.74 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 0.00 159 E 9.07 3.99 0.00 2.04 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 2.40 2.40 0.00 160 E 8.16 3.96 0.00 2.01 1.94 0.00 0.00 0.00 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0.00 0.00 0.00 177 Y 8.31 4.19 0.00 3.59 3.29 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 0.00 178 K 8.61 4.63 0.00 2.04 1.82 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.56 7.81 179 Y 7.90 3.72 0.00 2.82 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 F 7.05 4.37 0.00 2.30 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 0.00 0.00 0.00 181 T 7.05 3.45 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 0.13 0.00 0.00 182 G 7.54 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 0.00 0.00 0.00 183 S 7.76 4.77 0.00 3.81 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 0.00 184 E 8.40 5.11 0.00 2.14 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 2.36 2.42 0.00 185 W 9.15 2.87 0.00 3.07 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 0.00 186 H 7.85 3.39 0.00 2.90 3.02 0.00 5.74 0.00 0.00 0.00 0.00 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 S 6.91 4.74 0.00 3.85 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 *189 K 8.47 4.29 0.00 1.93 1.97 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.45 7.81 190 N 7.97 4.64 0.00 2.36 2.44 0.00 0.00 6.74 7.53 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 0.00 191 Y 7.23 4.95 0.00 2.97 2.85 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 0.00 192 D 9.05 4.58 0.00 2.74 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 0.00 193 L 8.37 4.49 0.00 1.09 1.19 0.80 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 194 P 0.00 4.99 0.00 2.12 1.98 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 195 I 9.38 4.48 1.77 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 1.06 0.82 0.80 0.00 0.00 196 N 8.45 3.66 0.00 2.30 2.51 0.00 0.00 7.17 7.70 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 0.00 197 T 8.52 4.14 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 1.09 0.00 0.00 198 T 7.60 3.79 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 1.24 0.00 0.00 199 K 7.90 4.51 0.00 1.67 1.75 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.39 7.81 200 L 7.82 4.83 0.00 1.52 1.53 0.86 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 201 T 8.88 4.00 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 1.19 0.00 0.00 202 L 8.51 3.85 0.00 1.74 1.70 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 203 E 8.12 3.96 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 2.38 2.38 0.00 204 E 8.06 3.97 0.00 2.30 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 2.32 2.35 0.00 205 T 7.85 3.80 4.34 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 1.17 0.00 0.00 206 A 8.03 3.99 1.39 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 0.00 0.00 0.00 207 E 8.59 3.88 0.00 2.25 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 0.00 2.31 2.36 0.00 208 L 7.98 3.99 0.00 1.81 1.85 0.95 0.81 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 0.00 209 I 7.96 3.81 2.03 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 1.53 0.69 0.99 0.00 0.00 210 K 8.12 4.11 0.00 1.97 1.89 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.81 7.81 211 A 8.62 3.99 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 0.00 212 Y 8.07 3.84 0.00 3.26 3.23 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 0.00 213 I 8.00 3.73 2.09 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.91 1.06 0.00 0.00 214 R 8.28 3.92 0.00 2.07 1.94 0.00 3.13 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 215 L 7.49 3.82 0.00 1.63 1.44 0.85 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 216 K 7.63 3.66 0.00 1.01 0.74 0.00 1.38 0.00 0.00 1.20 0.00 0.00 2.99 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.72 1.17 7.81 217 G 7.28 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 F 8.24 4.87 0.00 3.02 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 * Residues marked with a * may have inaccurate shift predictions.