NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.4007 8.4345 115.4162 58.2731 63.1707 172.6647 10 I 4.2365 8.0107 124.7271 58.1151 36.9947 172.0691 11 I 4.5645 8.5077 126.5943 59.3486 40.3303 175.7116 12 R 4.4597 8.5063 123.5464 55.1831 30.4213 173.2991 13 F 5.0856 8.0081 116.1716 54.6252 40.9530 173.6811 14 S 4.6955 8.5551 115.8064 56.5489 65.1695 173.5142 15 V 4.5848 7.9582 120.1030 61.1626 34.3772 174.7936 16 S 4.8622 8.3978 120.0829 56.7712 65.3988 173.4806 17 L 4.5760 7.9645 123.9874 52.4823 45.0843 175.5776 18 Q 4.1140 8.6102 124.1509 55.6415 30.0473 176.9659 19 Q 3.9651 8.9122 126.0337 59.6001 28.9459 178.8788 20 N 4.3156 8.1780 117.4201 56.0613 37.1941 176.9828 21 L 4.0519 7.8590 121.6614 58.2072 40.6361 178.8102 22 L 3.9512 8.0384 121.3648 57.8547 41.8843 178.6871 23 D 4.3526 8.4035 119.4745 57.0658 40.5485 178.2339 24 E 3.8813 7.7628 118.3856 59.1717 30.0274 178.0392 25 L 4.0768 8.1158 120.5944 58.6875 41.9486 178.7982 26 D 4.5455 8.3768 117.4256 56.4122 40.8324 177.7705 27 N 4.6251 7.7650 116.2379 54.3067 37.6113 175.4959 28 R 4.6330 7.8002 119.0506 55.7754 32.1359 177.5424 29 I 3.9931 7.9044 120.2186 64.6582 37.1257 178.1039 30 I 3.8388 7.7396 119.9827 63.9883 37.0319 177.8799 31 K 3.8440 7.9751 118.9766 58.9451 31.7956 176.5121 32 N 4.6870 7.7703 112.3887 52.7553 38.8111 175.7254 33 G 3.8205 8.1843 108.1584 45.3704 0.0000 175.1053 34 Y 4.5064 6.9762 122.9956 57.7841 37.9581 175.0270 *36 S 4.2679 8.3257 118.4542 58.8226 64.7463 174.9136 37 R 3.7885 8.5023 121.3999 59.8289 29.8763 178.4638 38 S 3.9796 8.1201 112.2837 61.7742 61.9779 176.0843 39 E 3.8354 7.8271 121.0415 59.1043 29.1957 178.9911 40 L 2.9918 7.1059 119.8478 57.5300 42.0649 179.0619 41 V 3.5234 7.5754 118.0831 65.5603 31.4585 177.6915 42 R 3.8713 7.6675 118.4876 60.0256 29.8847 178.0443 43 D 4.4023 7.7818 118.3351 57.4650 40.7729 178.7754 44 M 4.0795 7.8781 119.0126 58.3249 31.9061 178.8401 45 I 3.6878 7.9912 120.0635 64.3442 37.3383 178.1513 46 R 4.0256 8.0980 119.5641 59.6478 29.8248 177.8261 47 E 3.9476 8.1139 118.6482 59.4933 29.5503 179.0522 48 K 4.0261 8.1386 118.3141 59.4505 32.0559 179.4391 49 L 4.0005 8.4380 119.7965 57.5968 41.4383 179.7700 50 V 3.8805 8.2459 118.2606 66.1298 31.5455 177.6053 51 E 4.0024 8.3226 118.4171 59.8328 29.1650 179.1706 52 D 4.4051 8.2320 117.3336 57.5816 40.9968 178.1398 53 N 4.5037 8.5562 117.4699 56.6915 38.7498 176.9134 54 W 3.9219 8.5126 119.1786 59.2127 29.2336 178.0624 55 A 4.2603 8.0649 120.1090 54.6186 18.2245 176.4016 56 E 4.6262 7.4809 115.3243 56.2800 33.8810 177.7716 57 D 3.6852 8.7883 121.1108 54.7687 41.7415 175.9473 *62 E 4.0935 8.9757 113.7791 56.4044 30.7871 178.1989 63 S 4.5535 7.9255 115.1598 56.9322 65.2693 173.6544 64 K 4.6983 9.1586 126.6460 54.8321 35.1149 175.1135 65 I 5.0979 8.4199 122.1934 59.8870 39.9341 174.6765 66 A 5.0734 9.0477 126.8827 50.7723 23.7808 174.6426 67 V 4.7673 8.6532 118.6336 61.1358 34.3936 173.9867 68 L 4.8877 9.1020 130.8705 53.8598 43.8597 174.9870 69 V 4.8792 8.8794 127.0287 61.3112 33.6068 174.3777 70 V 5.1235 8.8107 127.7194 61.2219 34.7983 173.9356 71 I 5.1630 9.0045 128.5874 59.8170 39.5175 174.3011 72 Y 5.3932 8.8973 124.5422 55.5169 42.3164 173.6536 73 D 5.2786 9.0910 121.1178 53.6628 41.6787 176.6109 74 H 4.6765 9.0107 122.7892 58.0567 28.5751 176.7185 75 H 4.0804 8.0900 116.3411 58.2719 29.0520 175.2870 76 Q 3.9820 8.2076 121.2198 56.7990 28.3938 177.6004 77 R 3.8676 8.8715 124.5246 59.9479 29.5632 174.5688 78 E 4.6613 7.9690 111.6843 55.4343 30.5672 179.6636 79 L 3.9755 8.0041 123.0279 59.2176 42.0691 178.6301 80 N 4.1052 8.0810 116.4920 56.7617 38.9809 176.3394 81 Q 3.9366 8.0575 120.4536 59.0650 29.0434 177.9341 82 R 3.8540 8.0350 119.6877 59.8290 30.0936 178.3270 83 M 3.9709 8.3131 118.6779 58.4424 31.8788 178.8282 84 I 3.5996 7.8387 119.8465 64.4223 37.2260 178.2420 85 D 4.3805 8.4579 120.0311 57.4043 40.6658 178.7000 86 I 3.6649 7.9472 120.5817 64.5971 36.9240 178.2793 87 Q 3.9263 7.9189 118.7133 59.4534 28.7118 177.4763 88 H 4.3762 8.5093 117.4575 58.9951 28.6052 177.5402 89 A 4.2137 8.1128 120.8558 54.2559 18.3222 179.3336 90 S 4.2278 7.7957 112.3576 59.6465 63.2571 175.7012 91 G 3.9751 7.7922 109.3744 45.3987 0.0000 174.0195 92 T 4.1287 7.3616 109.1959 61.8538 69.7233 173.3251 93 H 4.8767 9.3054 121.3172 54.4471 30.8173 174.2962 94 V 4.3796 8.4028 123.8628 62.3179 31.2999 175.6092 95 L 4.2911 9.0471 129.6704 57.2660 42.4522 177.2097 96 C 4.8805 7.3676 115.4270 59.0919 34.6506 172.7841 97 T 5.1645 8.6941 120.9092 62.1429 71.8758 173.1949 98 T 4.7072 8.8584 122.1603 61.9302 71.7376 172.5344 99 H 5.2826 8.8549 124.9226 54.3877 32.8886 172.3005 100 I 4.3203 8.7951 126.3547 59.9425 39.7083 175.1650 101 H 4.9096 8.6788 124.9163 54.7320 27.4580 175.0759 102 M 4.2380 8.3111 123.3329 57.6847 32.5969 175.9012 103 D 4.5045 7.3829 115.6978 52.9393 41.6316 174.6560 104 E 4.1171 8.9885 116.5996 59.8271 30.1466 177.1452 105 H 4.8396 8.6684 114.9297 57.7188 30.7772 175.3042 106 N 4.9943 8.3714 116.0040 53.4011 39.6153 173.4433 107 C 4.9635 9.0169 121.8450 57.6383 31.3570 172.5342 108 L 5.1899 8.2608 124.8472 53.3313 44.4496 174.8671 109 E 5.3774 9.3185 124.9934 54.7180 33.9154 174.6707 110 T 5.0162 8.9006 113.9102 60.1273 71.3132 173.0886 111 I 4.8516 8.8660 128.1838 59.4386 39.9459 174.7429 112 I 4.7097 8.7421 129.4650 60.2474 38.5522 175.0244 113 L 5.3142 9.3095 127.4579 52.8606 45.2259 175.3512 114 Q 5.0810 9.8831 123.5850 53.7563 32.3460 175.0659 115 G 3.9178 8.2364 111.8471 46.4796 0.0000 171.3599 116 N 4.7002 8.5573 118.6229 52.9444 39.7154 176.6320 117 S 3.8610 8.0389 118.2296 61.2717 62.9233 176.6171 118 F 4.5652 8.1421 121.1710 60.5395 38.8444 176.7830 119 E 4.0188 8.9892 118.3568 59.9446 29.4509 180.0099 120 I 3.8429 7.8174 118.9921 64.6673 37.2894 178.6281 121 Q 4.1341 8.5082 118.9195 58.7462 28.4925 178.9111 122 R 3.8484 8.5680 120.3404 59.3312 30.2277 178.0327 123 L 3.9200 7.9730 120.1780 58.3494 41.8901 178.7536 124 Q 3.9330 8.0317 118.9852 59.1637 28.9005 178.1860 125 L 3.9382 7.8680 119.8130 57.9871 41.5083 179.1973 126 E 3.9577 8.4201 117.1923 59.8183 29.8346 179.4246 127 I 3.9903 7.9716 119.6996 64.1276 36.9866 178.6823 128 G 3.7736 8.2953 105.9345 46.9963 0.0000 175.1375 129 G 3.8281 7.5960 105.8939 44.5765 0.0000 173.8203 130 L 4.2747 7.3469 122.1293 53.6000 42.5311 176.4679 131 R 4.1150 8.4220 123.5837 57.8460 30.6714 175.7266 132 G 4.0796 9.1545 112.8557 45.5782 0.0000 173.1218 133 V 4.4391 7.4352 119.3816 62.3955 31.2954 175.5340 134 K 4.5221 8.8543 127.3173 57.1772 33.3335 176.8842 135 F 4.6996 8.0483 120.4340 57.1869 42.9365 172.8996 136 A 4.8958 7.7874 128.2097 51.0460 20.9000 174.9822 137 K 4.3467 9.1242 123.2313 55.2411 35.7983 174.7062 138 L 4.9224 8.4666 128.7675 54.0910 43.8609 175.3951 139 T 4.4410 8.8608 123.1336 61.9394 70.2827 173.7876 140 K 4.3218 8.3087 125.8272 54.9642 33.5932 176.0663 141 A 5.1079 8.6233 124.0135 50.4104 22.3196 175.7884 142 S 4.8803 9.6331 116.0951 56.2437 66.4257 175.9956 143 S 2.7900 8.3643 117.9569 60.6105 62.8475 176.4864 144 F 4.2503 7.8332 114.9868 59.3336 37.5418 176.1382 145 E 4.0744 7.0503 120.5396 58.3729 29.3298 176.9408 146 Y 4.8787 6.7727 112.1405 56.2425 40.2246 174.7074 147 N 4.5906 8.2573 123.5367 53.6796 38.5625 174.6632 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 S 8.43 4.40 0.00 4.01 4.01 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 10 I 8.01 4.24 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 1.41 0.66 0.91 0.00 0.00 11 I 8.51 4.56 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 1.27 1.08 0.98 0.00 0.00 12 R 8.51 4.46 0.00 1.83 1.71 0.00 3.24 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 13 F 8.01 5.09 0.00 3.03 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.56 4.70 0.00 3.96 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 15 V 7.96 4.58 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 0.89 0.00 0.00 1.05 0.00 0.00 16 S 8.40 4.86 0.00 3.87 3.73 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 17 L 7.96 4.58 0.00 1.53 1.47 0.92 0.76 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 18 Q 8.61 4.11 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.56 0.00 0.00 0.00 0.00 0.00 2.45 1.98 0.00 19 Q 8.91 3.97 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.68 0.00 20 N 8.18 4.32 0.00 2.95 3.07 0.00 0.00 5.98 6.67 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 21 L 7.86 4.05 0.00 1.94 1.97 0.92 0.22 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 22 L 8.04 3.95 0.00 1.78 1.84 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.40 4.35 0.00 2.88 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 24 E 7.76 3.88 0.00 2.21 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 0.00 2.32 2.19 0.00 25 L 8.12 4.08 0.00 1.83 1.88 0.90 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.38 4.55 0.00 2.71 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 27 N 7.76 4.63 0.00 2.86 3.17 0.00 0.00 6.73 8.97 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 28 R 7.80 4.63 0.00 2.08 2.13 0.00 3.16 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 29 I 7.90 3.99 1.93 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.78 1.04 0.00 0.00 30 I 7.74 3.84 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.70 0.91 0.00 0.00 31 K 7.98 3.84 0.00 1.75 2.07 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.58 7.81 32 N 7.77 4.69 0.00 3.05 2.71 0.00 0.00 7.25 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 33 G 8.18 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 34 Y 6.98 4.51 0.00 2.99 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 *36 S 8.33 4.27 0.00 4.01 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 37 R 8.50 3.79 0.00 1.86 1.91 0.00 3.15 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 38 S 8.12 3.98 0.00 3.84 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 39 E 7.83 3.84 0.00 1.92 1.85 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 2.33 2.29 0.00 40 L 7.11 2.99 0.00 1.32 1.54 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.58 3.52 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 1.00 0.00 0.00 0.90 0.00 0.00 42 R 7.67 3.87 0.00 2.12 2.07 0.00 3.17 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 43 D 7.78 4.40 0.00 2.80 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 44 M 7.88 4.08 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 45 I 7.99 3.69 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 1.45 0.81 0.94 0.00 0.00 46 R 8.10 4.03 0.00 1.97 2.15 0.00 3.16 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 47 E 8.11 3.95 0.00 2.21 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 2.53 2.36 0.00 48 K 8.14 4.03 0.00 1.85 1.86 0.00 2.05 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.64 7.81 49 L 8.44 4.00 0.00 1.96 1.55 0.75 0.55 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 50 V 8.25 3.88 2.27 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 1.03 0.00 0.00 1.14 0.00 0.00 51 E 8.32 4.00 0.00 2.28 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 2.53 0.00 52 D 8.23 4.41 0.00 2.83 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 53 N 8.56 4.50 0.00 3.05 3.36 0.00 0.00 7.29 7.52 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 54 W 8.51 3.92 0.00 3.52 3.38 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 55 A 8.06 4.26 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 56 E 7.48 4.63 0.00 2.03 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 2.35 2.17 0.00 57 D 8.79 3.69 0.00 2.80 2.46 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 *62 E 8.98 4.09 0.00 1.80 1.90 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 2.13 1.89 0.00 63 S 7.93 4.55 0.00 3.80 3.73 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 64 K 9.16 4.70 0.00 1.40 1.42 0.00 0.61 0.00 0.00 1.31 0.00 0.00 2.19 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.95 0.58 7.81 65 I 8.42 5.10 1.97 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.63 0.91 0.00 0.00 66 A 9.05 5.07 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 67 V 8.65 4.77 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 0.95 0.00 0.00 0.94 0.00 0.00 68 L 9.10 4.89 0.00 1.78 1.54 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.88 4.88 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 1.12 0.00 0.00 1.00 0.00 0.00 70 V 8.81 5.12 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 1.17 0.00 0.00 0.98 0.00 0.00 71 I 9.00 5.16 1.99 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.70 0.94 0.00 0.00 72 Y 8.90 5.39 0.00 3.14 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 73 D 9.09 5.28 0.00 2.93 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 74 H 9.01 4.68 0.00 3.23 3.34 0.00 5.81 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.09 4.08 0.00 3.28 3.40 0.00 5.67 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.21 3.98 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.73 0.00 77 R 8.87 3.87 0.00 1.82 1.88 0.00 3.24 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.24 0.00 78 E 7.97 4.66 0.00 1.87 1.93 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 2.23 1.84 0.00 79 L 8.00 3.98 0.00 1.82 1.83 0.86 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.08 4.11 0.00 2.97 2.84 0.00 0.00 6.78 7.28 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 81 Q 8.06 3.94 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.65 0.00 0.00 0.00 0.00 0.00 2.44 2.66 0.00 82 R 8.04 3.85 0.00 2.13 1.91 0.00 3.30 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 83 M 8.31 3.97 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 84 I 7.84 3.60 2.01 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 1.48 0.66 0.86 0.00 0.00 85 D 8.46 4.38 0.00 2.77 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 86 I 7.95 3.66 1.99 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 1.39 0.62 0.94 0.00 0.00 87 Q 7.92 3.93 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 88 H 8.51 4.38 0.00 3.35 3.32 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.11 4.21 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 90 S 7.80 4.23 0.00 4.08 4.16 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 0.00 0.00 0.00 91 G 7.79 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 92 T 7.36 4.13 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 1.24 0.00 0.00 93 H 9.31 4.88 0.00 3.09 3.26 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.40 4.38 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 0.80 0.00 0.00 1.00 0.00 0.00 95 L 9.05 4.29 0.00 1.55 1.71 0.93 0.79 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 96 C 7.37 4.88 0.00 2.96 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 97 T 8.69 5.16 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 1.27 0.00 0.00 98 T 8.86 4.71 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 99 H 8.85 5.28 0.00 3.10 3.06 0.00 5.88 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.80 4.32 1.79 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 1.19 0.75 0.86 0.00 0.00 101 H 8.68 4.91 0.00 3.13 3.20 0.00 5.71 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 M 8.31 4.24 0.00 1.96 2.21 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 103 D 7.38 4.50 0.00 2.74 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 0.00 104 E 8.99 4.12 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 2.40 0.00 105 H 8.67 4.84 0.00 3.11 3.43 0.00 5.61 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.37 4.99 0.00 2.61 2.69 0.00 0.00 6.83 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 0.00 107 C 9.02 4.96 0.00 1.54 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 0.00 0.00 0.00 108 L 8.26 5.19 0.00 1.63 1.40 0.83 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 109 E 9.32 5.38 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 110 T 8.90 5.02 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 0.00 111 I 8.87 4.85 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.70 0.93 0.00 0.00 112 I 8.74 4.71 1.88 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 1.24 0.66 0.92 0.00 0.00 113 L 9.31 5.31 0.00 1.59 1.59 0.97 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 9.88 5.08 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 115 G 8.24 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 0.00 0.00 0.00 116 N 8.56 4.70 0.00 2.62 2.80 0.00 0.00 7.40 7.51 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 0.00 117 S 8.04 3.86 0.00 4.14 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 0.00 118 F 8.14 4.57 0.00 3.42 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 0.00 119 E 8.99 4.02 0.00 2.20 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 0.00 2.51 2.62 0.00 120 I 7.82 3.84 2.21 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.13 1.17 0.00 0.00 121 Q 8.51 4.13 0.00 2.50 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.77 0.00 122 R 8.57 3.85 0.00 2.03 2.11 0.00 3.08 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 123 L 7.97 3.92 0.00 1.92 1.98 0.91 0.47 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 0.00 124 Q 8.03 3.93 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 125 L 7.87 3.94 0.00 1.90 1.69 0.93 0.96 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 0.00 126 E 8.42 3.96 0.00 1.94 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 2.34 2.47 0.00 127 I 7.97 3.99 1.93 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 1.41 1.06 0.87 0.00 0.00 128 G 8.30 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 0.00 129 G 7.60 3.83 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 0.00 0.00 0.00 130 L 7.35 4.27 0.00 1.83 1.58 0.87 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.42 4.11 0.00 1.78 1.86 0.00 3.55 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 132 G 9.15 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 0.00 0.00 0.00 0.00 133 V 7.44 4.44 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 0.96 0.00 0.00 134 K 8.85 4.52 0.00 1.76 1.92 0.00 1.95 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.64 7.81 135 F 8.05 4.70 0.00 3.13 2.86 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 0.00 136 A 7.79 4.90 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 0.00 137 K 9.12 4.35 0.00 1.17 1.54 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.32 1.22 7.81 138 L 8.47 4.92 0.00 1.60 1.41 0.97 0.81 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 0.00 139 T 8.86 4.44 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 1.17 0.00 0.00 140 K 8.31 4.32 0.00 0.98 0.74 0.00 1.19 0.00 0.00 0.61 0.00 0.00 2.46 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.30 0.85 7.81 141 A 8.62 5.11 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 0.00 142 S 9.63 4.88 0.00 3.19 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 0.00 143 S 8.36 2.79 0.00 3.91 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 0.00 144 F 7.83 4.25 0.00 3.05 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 0.00 145 E 7.05 4.07 0.00 1.92 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 1.93 1.47 0.00 146 Y 6.77 4.88 0.00 2.91 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 N 8.26 4.59 0.00 2.74 2.77 0.00 0.00 6.80 7.13 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 * Residues marked with a * may have inaccurate shift predictions.