NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9849 8.1976 109.7387 45.5092 0.0000 175.8904 5 V 3.5490 8.2737 119.0703 64.1926 32.1470 176.7351 6 T 3.8766 8.8286 117.5867 66.7141 68.5362 177.2367 7 D 4.4449 7.5295 117.4557 57.0599 40.9149 179.0273 8 R 4.1983 7.9384 118.3874 59.2791 30.1500 178.3730 9 I 3.8928 7.5267 118.1492 64.7857 37.4890 178.3624 10 G 3.7430 8.2210 106.1328 47.5090 0.0000 175.9981 11 Q 4.0434 7.7307 119.1185 56.6269 28.7013 177.9039 *13 I 4.3352 7.6880 120.5101 60.9738 39.3107 177.2254 14 L 4.2088 8.0090 120.0722 58.0205 41.6528 179.5789 15 E 4.4810 8.6148 117.0779 56.8924 29.0876 178.8225 *17 F 4.8600 8.2583 121.9252 58.5033 40.9022 177.2607 18 R 4.0605 8.3122 117.2654 58.5538 30.0593 178.1671 19 T 3.7284 7.8169 114.6786 64.8227 68.9201 173.9223 20 G 3.3503 7.4337 107.3585 46.2062 0.0000 172.7927 *22 C 4.1275 7.5226 113.6609 59.2296 30.2291 174.8848 23 L 4.2579 8.4390 123.8049 53.3890 43.6006 175.0958 24 F 5.1335 8.8653 126.2974 56.2159 41.2248 175.1432 25 S 5.6012 9.1012 117.2983 55.4716 66.1027 172.7713 26 V 4.6089 8.3814 123.6362 60.9559 33.7771 173.8232 27 R 5.1000 8.6637 128.0166 54.6318 32.1580 175.3051 28 S 4.7104 8.9953 121.3771 55.9869 65.1150 173.0539 29 P 4.4674 0.0000 0.0000 64.4652 30.9601 177.8860 30 G 4.2054 7.9561 105.3440 44.9704 0.0000 172.3821 31 G 4.2182 7.8279 107.5730 44.2161 0.0000 172.9930 32 V 4.9791 8.0790 118.6449 59.7130 34.5033 174.3285 33 A 4.7508 8.9968 126.0476 50.2598 21.3407 175.2153 34 E 4.9335 8.7013 121.1973 54.3592 32.3246 175.4521 35 L 4.3041 8.7673 124.1171 52.8458 44.7728 175.2950 36 Y 5.0102 9.1419 120.1585 56.5460 41.3592 174.3409 37 G 4.3595 8.5846 106.5975 44.0545 0.0000 174.0052 38 G 3.5117 8.4376 107.7787 44.1679 0.0000 171.7081 39 E 4.7511 7.8594 119.4145 54.2453 32.0152 174.3601 40 A 4.7214 8.7093 129.0181 50.8907 20.7752 176.8333 41 R 4.1817 8.6112 120.3579 58.6247 31.0442 177.2907 42 K 4.4879 7.4539 118.4805 55.1449 35.6608 174.6527 43 V 4.7634 8.2431 126.0051 61.1158 34.8551 174.1442 44 E 4.6431 9.0491 127.2106 54.7037 33.1948 173.6369 45 I 4.8678 8.4576 127.0944 59.8840 40.1553 175.4284 46 T 4.3972 8.4904 123.3162 62.1315 71.8248 176.4301 47 G 3.8939 8.8171 120.1724 47.0158 0.0000 173.0061 48 T 4.4312 8.9432 114.7555 60.9494 69.7282 173.5895 49 S 5.2515 8.0117 117.7956 56.8273 65.7904 172.7391 50 L 5.2122 8.9094 124.3457 53.6624 45.2375 175.1588 51 T 5.0832 8.8203 121.3339 61.8822 72.7698 172.8288 52 I 4.6961 8.5638 126.2481 59.3398 41.0282 174.3308 53 E 4.6636 8.8151 125.6522 54.7318 32.9812 175.9367 54 R 4.2590 7.6436 124.2111 54.0714 32.5513 177.2063 55 E 3.9242 8.7140 120.4151 59.0777 29.4258 177.1871 56 D 5.0231 7.7614 114.2519 52.0750 40.2570 174.9230 57 W 5.2914 7.4703 114.5358 56.0149 31.1088 172.9603 58 H 5.5327 8.9327 116.4617 54.0873 32.0925 172.4513 59 L 4.8422 9.1739 123.9743 53.5646 44.9165 174.6874 60 H 5.4081 8.8589 122.2194 54.1295 32.0029 172.6563 61 C 4.6457 9.1923 122.5377 57.7307 35.0520 173.2140 62 K 4.4054 8.6339 125.9335 54.7576 31.1581 177.0557 63 L 3.9181 9.0762 127.0438 57.3442 41.9235 179.5719 64 E 4.2048 8.0392 114.9389 58.1549 30.1898 177.8204 65 T 3.9621 8.1030 110.4444 63.5679 69.2982 174.4102 66 V 3.8586 7.4387 121.8848 63.0886 31.3104 174.6611 67 E 4.4771 9.0831 129.8213 58.1368 30.3809 176.4199 68 T 4.7693 7.7454 107.8662 59.7788 72.8754 172.6217 69 V 4.5560 8.2170 122.5279 61.0859 34.5807 174.1290 70 V 4.5722 8.4217 127.5980 61.1684 33.9959 174.4096 71 F 5.2461 8.3983 127.6850 56.8248 39.8089 174.5300 72 D 5.3083 9.3496 125.5537 52.4210 42.6331 175.0300 73 L 5.4320 8.3239 128.2762 52.4680 44.8715 175.2946 74 S 4.9167 8.0139 118.1709 57.3555 65.6964 174.2352 75 P 4.9953 0.0000 0.0000 61.8256 32.3709 174.9663 76 K 4.2017 8.2982 114.0907 57.8037 34.3502 177.1700 *80 G 3.8006 7.4814 105.4298 45.8268 0.0000 170.3038 81 I 4.5331 7.9591 118.1302 60.0270 41.0140 175.2130 82 R 4.3755 9.3523 130.7414 54.6180 33.1184 174.1890 *84 A 4.7039 8.1814 120.9929 51.8004 20.4696 175.5845 85 V 4.8393 9.0014 122.2052 61.2688 33.7875 174.6207 86 V 4.7456 8.5652 128.0236 61.1200 34.2814 174.0251 87 F 5.0334 9.3447 127.7861 56.6260 40.5392 175.1301 88 R 5.2553 9.0075 122.8048 54.4508 33.9031 176.1976 89 D 5.7145 8.9765 122.3036 51.7800 41.6643 176.0936 90 K 3.7039 8.7975 119.3478 60.5750 31.7721 177.6289 91 H 4.6538 8.0871 111.7048 55.7358 28.5881 175.6441 92 Q 3.7107 8.2118 116.7278 56.3070 26.7366 173.2726 93 A 4.3473 8.2841 122.3434 50.6427 19.3190 176.1213 94 P 4.9348 0.0000 0.0000 63.0676 32.0677 176.5497 95 V 4.3403 8.6564 114.5925 62.1183 33.5684 175.8134 96 L 4.7808 7.6936 120.0910 54.0762 45.5985 173.7065 97 R 5.1923 8.9503 124.1785 54.7148 33.9167 173.2595 98 A 4.5058 9.4879 128.3484 50.0396 21.3745 174.8050 99 A 5.0302 8.5561 125.2594 50.1616 21.5971 175.4534 100 W 4.6040 9.1150 122.8208 55.8556 30.6631 176.0125 101 L 4.6877 8.4273 123.9569 52.2650 42.9052 175.2413 102 P 4.3521 0.0000 0.0000 65.5991 31.4082 178.2093 103 R 4.0742 8.0553 113.0579 58.5930 29.3107 176.4473 104 L 4.4766 8.0915 118.8868 54.1399 42.1648 174.6173 *106 P 4.2767 0.0000 0.0000 62.4647 32.3340 176.3612 107 E 4.1302 8.7307 119.0528 58.8963 29.7606 177.4832 108 T 4.5904 7.5321 112.0375 59.1220 70.2082 171.4814 109 P 4.5687 0.0000 0.0000 61.8387 32.4951 175.9415 110 S 4.2443 8.1760 112.1059 57.9474 63.6003 173.4120 111 P 4.2900 0.0000 0.0000 65.8312 31.1874 177.0214 112 P 4.2899 0.0000 0.0000 65.7668 31.1250 178.5199 113 E 4.0715 8.3178 117.4615 59.5187 29.4950 179.3613 114 Q 4.0990 7.9899 117.7076 58.6771 28.7657 178.3520 115 F 3.1762 8.1974 121.9169 60.5068 39.3956 176.9958 116 W 3.9881 8.4955 128.9549 59.9548 30.3448 177.6166 117 A 4.0486 8.0765 119.2539 55.1172 17.9061 179.1331 118 F 4.1632 7.7922 118.6700 61.4877 39.5256 177.9281 119 T 3.3066 7.5703 109.7021 64.4289 68.1438 176.1970 120 Q 3.7049 7.5548 122.2372 58.6528 28.7270 177.9639 121 R 3.9073 7.2821 117.1975 57.6272 30.3233 176.5228 122 Y 4.7218 7.7778 115.6365 57.3360 39.2477 177.1889 123 I 3.8928 7.4569 121.7037 63.5568 38.1454 176.8115 124 D 4.4712 7.9580 118.5153 55.2129 39.7220 176.7576 125 L 4.0652 7.5808 120.6396 54.5519 42.1323 176.4268 126 P 4.4194 0.0000 0.0000 62.6047 30.8621 176.3126 *128 V 3.6714 7.4853 116.7328 63.8854 32.6668 175.3824 129 V 4.1127 7.9672 125.7928 60.6483 33.3314 173.3325 130 D 4.7004 8.6386 126.3523 53.5561 41.5102 175.7156 131 A 4.8970 8.7304 132.5834 51.4271 19.3795 175.8591 132 R 4.8857 8.1586 120.3501 55.5100 31.8458 177.4088 133 N 4.4937 9.1823 124.5052 53.7847 38.8644 175.7684 134 R 4.0300 8.7174 125.8401 57.7174 30.5280 178.5080 135 Q 4.0855 7.9121 118.2694 57.8194 29.1997 176.2099 136 L 4.4033 7.7188 116.2732 55.0750 42.0494 177.0701 137 V 3.9050 7.2239 123.1105 62.1126 31.2384 173.5275 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 G 8.20 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 5 V 8.27 3.55 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 0.80 0.00 0.00 0.96 0.00 0.00 6 T 8.83 3.88 4.25 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 0.00 0.00 1.21 0.00 0.00 7 D 7.53 4.44 0.00 2.88 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 7.94 4.20 0.00 2.09 2.13 0.00 3.56 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.73 0.00 9 I 7.53 3.89 2.06 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 1.61 0.68 0.87 0.00 0.00 10 G 8.22 3.74 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 0.00 0.00 0.00 11 Q 7.73 4.04 0.00 2.29 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.33 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 *13 I 7.69 4.34 1.93 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.71 0.75 0.00 0.00 14 L 8.01 4.21 0.00 2.03 1.78 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.61 4.48 0.00 2.49 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 2.52 2.71 0.00 *17 F 8.26 4.86 0.00 3.01 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.31 4.06 0.00 1.92 2.04 0.00 3.30 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.06 0.00 19 T 7.82 3.73 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 20 G 7.43 3.35 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 0.00 *22 C 7.52 4.13 0.00 2.42 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 0.00 0.00 0.00 23 L 8.44 4.26 0.00 1.33 1.42 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.87 5.13 0.00 2.73 2.82 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 25 S 9.10 5.60 0.00 3.78 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 26 V 8.38 4.61 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 1.06 0.00 0.00 0.91 0.00 0.00 27 R 8.66 5.10 0.00 1.83 1.78 0.00 3.29 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.72 0.00 28 S 9.00 4.71 0.00 3.99 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 29 P 0.00 4.47 0.00 2.07 2.15 0.00 3.64 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 2.03 2.09 0.00 30 G 7.96 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.83 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 0.00 0.00 0.00 0.00 32 V 8.08 4.98 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 0.75 0.00 0.00 0.91 0.00 0.00 33 A 9.00 4.75 1.18 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 0.00 0.00 0.00 34 E 8.70 4.93 0.00 1.84 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 2.13 2.27 0.00 35 L 8.77 4.30 0.00 0.67 0.13 0.12 0.24 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 36 Y 9.14 5.01 0.00 2.90 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 37 G 8.58 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.44 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 0.00 0.00 0.00 39 E 7.86 4.75 0.00 1.84 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 2.19 2.28 0.00 40 A 8.71 4.72 1.13 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 0.00 0.00 41 R 8.61 4.18 0.00 1.61 1.92 0.00 3.30 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 42 K 7.45 4.49 0.00 1.66 1.45 0.00 1.57 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.30 7.81 43 V 8.24 4.76 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 0.73 0.00 0.00 0.74 0.00 0.00 44 E 9.05 4.64 0.00 1.96 1.66 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 0.00 2.16 2.24 0.00 45 I 8.46 4.87 1.85 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 1.30 0.76 0.89 0.00 0.00 46 T 8.49 4.40 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 1.20 0.00 0.00 47 G 8.82 3.89 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 0.00 0.00 0.00 48 T 8.94 4.43 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 1.21 0.00 0.00 49 S 8.01 5.25 0.00 3.90 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 50 L 8.91 5.21 0.00 1.64 1.41 0.88 0.46 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 51 T 8.82 5.08 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 1.11 0.00 0.00 52 I 8.56 4.70 1.63 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.54 0.03 0.00 0.00 53 E 8.82 4.66 0.00 1.71 1.49 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 1.78 2.00 0.00 54 R 7.64 4.26 0.00 0.67 1.39 0.00 3.37 0.00 0.00 2.78 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.50 0.00 55 E 8.71 3.92 0.00 1.86 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 2.28 2.29 0.00 56 D 7.76 5.02 0.00 2.82 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 57 W 7.47 5.29 0.00 3.56 3.17 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 58 H 8.93 5.53 0.00 3.03 3.10 0.00 5.66 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 59 L 9.17 4.84 0.00 1.74 1.57 0.85 0.54 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 60 H 8.86 5.41 0.00 3.03 3.13 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 9.19 4.65 0.00 2.80 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 62 K 8.63 4.41 0.00 1.74 2.09 0.00 1.94 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.45 7.81 63 L 9.08 3.92 0.00 1.76 1.70 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.04 4.20 0.00 2.07 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 2.27 2.23 0.00 65 T 8.10 3.96 4.25 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 0.00 0.00 1.25 0.00 0.00 66 V 7.44 3.86 2.28 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 0.94 0.00 0.00 0.97 0.00 0.00 67 E 9.08 4.48 0.00 2.01 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 0.00 2.27 2.25 0.00 68 T 7.75 4.77 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 1.20 0.00 0.00 69 V 8.22 4.56 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 0.63 0.00 0.00 1.08 0.00 0.00 70 V 8.42 4.57 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 1.01 0.00 0.00 0.88 0.00 0.00 71 F 8.40 5.25 0.00 2.97 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 72 D 9.35 5.31 0.00 2.68 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 73 L 8.32 5.43 0.00 1.81 1.51 1.04 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.01 4.92 0.00 3.86 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 5.00 0.00 2.18 2.09 0.00 3.29 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 76 K 8.30 4.20 0.00 1.70 1.82 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.36 7.81 *80 G 7.48 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 81 I 7.96 4.53 1.83 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 1.13 0.79 0.87 0.00 0.00 82 R 9.35 4.38 0.00 1.81 1.85 0.00 3.19 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 *84 A 8.18 4.70 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 85 V 9.00 4.84 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 0.57 0.00 0.00 1.04 0.00 0.00 86 V 8.57 4.75 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 1.05 0.00 0.00 0.94 0.00 0.00 87 F 9.34 5.03 0.00 3.20 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 88 R 9.01 5.26 0.00 1.73 1.80 0.00 3.11 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 89 D 8.98 5.71 0.00 2.78 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 90 K 8.80 3.70 0.00 1.61 1.60 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.26 1.45 7.81 91 H 8.09 4.65 0.00 3.21 3.29 0.00 5.84 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 8.21 3.71 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 93 A 8.28 4.35 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 94 P 0.00 4.93 0.00 2.24 2.11 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 95 V 8.66 4.34 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 0.70 0.00 0.00 1.08 0.00 0.00 96 L 7.69 4.78 0.00 1.76 1.56 1.10 0.64 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 97 R 8.95 5.19 0.00 1.93 1.72 0.00 3.09 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 98 A 9.49 4.51 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.56 5.03 1.17 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 0.00 0.00 100 W 9.11 4.60 0.00 3.06 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 0.00 101 L 8.43 4.69 0.00 1.71 1.61 1.08 1.12 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 0.00 102 P 0.00 4.35 0.00 2.06 2.16 0.00 3.72 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 103 R 8.06 4.07 0.00 1.92 2.09 0.00 3.02 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 104 L 8.09 4.48 0.00 1.75 1.72 1.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 *106 P 0.00 4.28 0.00 2.40 2.13 0.00 3.84 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 2.14 2.05 0.00 107 E 8.73 4.13 0.00 2.00 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 2.33 2.31 0.00 108 T 7.53 4.59 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 1.23 0.00 0.00 109 P 0.00 4.57 0.00 2.39 2.06 0.00 3.88 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 2.04 2.00 0.00 110 S 8.18 4.24 0.00 4.07 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 0.00 111 P 0.00 4.29 0.00 2.19 2.22 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 112 P 0.00 4.29 0.00 2.14 2.09 0.00 3.52 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 113 E 8.32 4.07 0.00 2.29 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 2.30 2.34 0.00 114 Q 7.99 4.10 0.00 2.27 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.92 0.00 0.00 0.00 0.00 0.00 2.53 2.71 0.00 115 F 8.20 3.18 0.00 2.64 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 0.00 116 W 8.50 3.99 0.00 3.60 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 0.00 117 A 8.08 4.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 7.79 4.16 0.00 3.13 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 0.00 119 T 7.57 3.31 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 -0.55 0.00 0.00 120 Q 7.55 3.70 0.00 1.66 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.88 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 121 R 7.28 3.91 0.00 1.07 1.46 0.00 2.99 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 122 Y 7.78 4.72 0.00 3.15 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 0.00 123 I 7.46 3.89 1.77 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 1.27 0.58 0.89 0.00 0.00 124 D 7.96 4.47 0.00 2.80 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 0.00 125 L 7.58 4.07 0.00 1.96 1.67 1.11 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.42 0.00 2.17 2.12 0.00 3.81 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 *128 V 7.49 3.67 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 -0.05 0.00 0.00 0.61 0.00 0.00 129 V 7.97 4.11 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 0.85 0.00 0.00 0.86 0.00 0.00 130 D 8.64 4.70 0.00 2.71 2.63 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 0.00 131 A 8.73 4.90 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 0.00 132 R 8.16 4.89 0.00 2.11 2.25 0.00 3.45 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 133 N 9.18 4.49 0.00 2.85 2.75 0.00 0.00 6.79 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 0.00 134 R 8.72 4.03 0.00 1.87 1.78 0.00 3.22 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.96 0.00 135 Q 7.91 4.09 0.00 1.96 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 136 L 7.72 4.40 0.00 1.85 1.65 0.90 0.76 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 0.00 137 V 7.22 3.90 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 0.33 0.00 0.00 0.77 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.