NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0589 8.3549 108.0296 46.0911 0.0000 173.0432 2 L 4.8526 8.4673 124.4442 52.6647 45.9844 172.5325 3 E 4.7458 9.4185 121.5946 54.9347 31.8036 175.9023 4 C 4.4508 8.8764 125.3033 56.8121 40.5858 172.8430 5 D 4.4844 8.8101 130.7863 53.9179 37.9237 176.0874 *7 K 3.9802 9.1130 118.7959 55.9210 33.0711 178.4453 8 V 4.0178 7.7279 120.5814 59.4954 30.6340 173.0831 9 N 4.5268 8.6817 124.6322 55.3396 38.9422 175.9753 10 I 4.5890 7.3144 109.3838 59.2522 39.8232 175.5215 11 C 4.3574 8.0178 123.7124 57.9059 42.9244 170.4861 12 C 4.9470 9.3923 120.0939 54.0432 45.4743 172.6710 13 K 4.6755 7.9308 121.5278 55.8241 32.5856 176.0410 14 K 4.5372 8.7844 126.9388 54.2606 35.3332 175.5498 15 Q 5.1786 8.4397 122.2404 55.6182 29.7590 175.7226 16 F 5.0712 8.9030 125.4181 57.0398 42.7123 172.5845 17 F 4.2744 8.5407 129.2315 57.2743 40.3902 174.6231 18 V 3.6759 6.8554 125.5955 60.6612 34.3481 173.7980 19 S 4.7472 7.8560 121.4451 56.6027 64.1485 174.8690 20 F 4.4789 9.0584 126.2742 59.8595 38.6443 177.9383 21 K 4.4039 7.9792 120.9279 58.9243 31.8807 178.3479 22 D 4.3266 7.6282 118.5484 57.3817 40.8398 178.4399 23 I 3.7334 7.3024 118.3818 61.7089 37.1070 176.7095 24 G 3.8508 7.6374 107.1598 46.3576 0.0000 173.9693 25 W 4.7584 8.6800 117.5060 56.1300 29.2097 177.0597 26 N 4.9378 8.2324 115.9506 53.7151 37.4411 176.5952 27 D 4.5491 8.1078 119.0960 56.3186 40.3707 177.6546 28 W 4.7751 8.2229 119.6670 58.6519 30.5508 176.1691 29 I 4.5346 7.7787 121.0968 60.2002 36.7739 176.4289 30 I 4.0690 8.6677 129.0448 64.0126 37.4687 176.6174 31 A 4.8860 7.6502 121.7843 49.9197 22.7044 174.3544 32 P 5.0307 0.0000 0.0000 61.8653 32.9706 176.5000 33 S 4.4521 8.8734 111.6950 60.1509 63.3077 173.7788 34 G 3.3332 7.7330 108.0918 45.7888 0.0000 170.8650 35 Y 4.6595 6.2364 115.7171 55.9066 41.7475 174.1904 36 H 4.5711 8.9245 117.3908 55.7359 28.2382 175.1577 37 A 4.0030 8.5462 127.5726 52.3475 19.8973 177.7958 38 N 4.5378 8.3511 113.9676 53.9520 38.1286 171.7563 39 Y 5.1398 8.0111 114.7412 56.7712 41.8316 172.6157 40 C 5.3574 8.8637 117.1238 55.3290 39.8304 173.2354 41 E 4.7715 9.8075 123.5504 55.0204 33.4154 174.5133 42 G 4.2196 8.5647 110.2129 43.2146 0.0000 172.7216 43 E 4.3142 8.3839 119.1706 55.9609 30.1503 175.6840 44 C 5.0935 8.2486 118.2974 53.8585 44.1572 172.1063 45 P 4.3395 0.0000 0.0000 63.5994 31.7680 176.1991 46 S 5.0011 8.2726 118.5657 57.9302 63.9695 173.5763 47 H 4.4882 8.9938 111.6933 58.5725 29.0863 177.0101 48 I 3.5825 7.1791 119.9228 63.8781 37.0313 177.1630 *55 S 4.2603 7.5729 116.2497 57.9172 62.8612 172.0914 56 L 4.7552 7.7057 127.2275 53.1231 44.3332 177.1981 57 S 4.4183 8.3594 116.8548 57.9621 64.9436 175.1045 58 F 3.9510 8.8881 123.4147 62.0677 38.8532 176.6650 59 H 4.3648 8.4564 117.0527 59.3772 29.7827 177.2161 60 S 4.1591 8.0834 116.6979 61.7674 62.6395 176.6633 61 T 3.7674 8.0235 118.4549 66.6530 67.7422 176.5113 62 V 3.5213 7.7007 119.9200 66.2671 31.5079 178.1131 63 I 3.4696 7.9232 119.5182 64.4028 36.9200 177.8931 64 N 4.2890 8.6263 118.3200 56.7564 38.5398 176.0323 65 H 3.8807 8.2699 119.7885 59.8214 29.7124 176.7816 66 Y 3.8831 7.4129 117.6866 60.5020 37.3473 178.1193 67 R 4.2937 7.6917 120.5525 59.3629 30.3269 178.2737 68 M 4.1934 8.1875 117.6017 58.1174 32.0408 178.2882 69 R 4.1427 7.5274 116.1606 56.1511 30.4521 177.3447 70 G 3.8633 7.6113 106.8997 46.2517 0.0000 173.5900 71 H 4.5997 7.9091 116.4429 55.2598 29.5006 174.6529 72 S 4.8080 8.5955 117.5212 57.8169 62.2240 173.3748 73 P 4.8276 0.0000 0.0000 62.5710 31.6272 176.1144 74 F 4.2124 8.2837 115.8548 58.8043 39.5373 178.2706 75 A 4.1489 8.0485 124.8627 55.3596 18.4551 179.0580 76 N 4.4314 8.0548 111.5869 55.5734 39.0283 175.3344 77 L 3.9850 7.2837 120.2048 54.9380 41.9960 176.0869 78 K 4.4646 8.3423 127.3082 55.0471 33.7335 175.2770 79 S 4.5998 8.4196 118.4325 57.9473 63.3830 172.9217 80 C 4.9349 8.9433 124.4303 57.7232 31.7043 172.5164 81 C 4.6389 8.8790 123.2665 57.0424 41.7730 172.7546 82 V 4.7440 8.7591 118.9769 58.8935 36.4999 172.9890 83 P 4.9417 0.0000 0.0000 63.3946 31.1699 176.6247 84 T 4.4769 8.8663 114.1027 61.8792 70.5229 174.7690 85 K 4.4805 7.8223 124.3138 55.4011 35.2915 175.1612 86 L 5.5273 8.5417 127.0608 52.9459 44.2166 175.4921 87 R 4.8292 8.1951 118.8098 54.4674 33.8432 172.1898 88 P 5.2101 0.0000 0.0000 62.0791 33.6402 174.2090 89 M 4.8539 8.8239 119.0598 53.6173 36.0697 173.9081 90 S 4.8036 8.7259 119.7901 58.6451 63.3903 173.0497 91 M 4.9563 9.4115 126.3999 53.3953 36.3742 173.9678 92 L 5.1804 8.7709 124.2974 53.4973 44.6743 174.8457 93 Y 5.2115 8.4046 123.4347 56.0736 42.2501 172.9763 94 Y 5.1075 8.9242 118.4867 56.9226 39.4936 176.2934 95 D 4.7618 8.5068 124.0458 52.0387 42.1812 175.8209 96 D 4.1061 8.8261 117.5612 57.7499 40.9285 178.0830 97 G 3.8396 8.1094 104.0812 45.0492 0.0000 173.2878 98 Q 3.6908 8.0421 116.8844 56.7106 26.8108 173.5620 99 N 4.5525 8.4067 115.5011 53.0568 39.2066 174.6138 100 I 4.2198 8.1647 122.9434 61.0729 37.8623 175.2984 101 I 4.2285 8.4440 128.8467 58.9878 40.0431 174.5022 102 K 4.8169 8.3273 128.1232 54.5258 33.7768 174.9836 103 K 4.6765 8.8514 127.3278 54.9833 36.3160 174.4339 104 D 4.9667 8.7789 125.9940 54.6150 41.5272 175.5393 105 I 4.4359 9.0885 125.3493 59.6914 39.4470 175.9628 106 Q 4.5113 8.7073 125.9004 54.8083 30.4054 174.7008 107 N 4.2556 8.5014 114.0856 55.2264 36.1261 175.6181 108 M 4.5661 8.5846 118.2469 56.5621 34.1025 177.4696 109 I 4.9039 7.5793 118.7130 59.1684 40.5776 175.2784 110 V 4.0037 8.6596 127.6584 63.2138 31.3404 174.8407 111 E 4.6080 9.4161 128.9914 57.1739 31.5700 175.8251 112 E 4.8722 8.0168 116.6962 54.7224 34.1267 175.3743 113 C 5.4570 8.6413 119.2225 55.6499 44.9753 173.1192 114 G 4.1855 8.5496 107.3255 45.7300 0.0000 171.4740 115 C 5.2911 8.6917 117.9873 56.1391 41.3892 174.3825 116 S 4.4549 8.4585 116.7710 58.6890 62.4916 173.9725 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 1 G 8.35 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.47 4.85 0.00 1.68 1.51 0.92 0.68 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 3 E 9.42 4.75 0.00 1.74 1.73 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 2.16 1.89 0.00 4 C 8.88 4.45 0.00 2.93 3.05 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 5 D 8.81 4.48 0.00 2.60 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *7 K 9.11 3.98 0.00 1.79 1.68 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 8 V 7.73 4.02 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 0.87 0.00 0.00 0.93 0.00 0.00 9 N 8.68 4.53 0.00 2.74 2.88 0.00 0.00 6.73 7.03 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 10 I 7.31 4.59 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 1.23 0.44 0.91 0.00 0.00 11 C 8.02 4.36 0.00 3.09 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 12 C 9.39 4.95 0.00 3.09 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 13 K 7.93 4.68 0.00 1.64 1.70 0.00 1.91 0.00 0.00 1.82 0.00 0.00 2.69 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.37 7.81 14 K 8.78 4.54 0.00 0.79 0.98 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.20 1.17 7.81 15 Q 8.44 5.18 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.17 0.00 16 F 8.90 5.07 0.00 3.39 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 17 F 8.54 4.27 0.00 2.62 2.59 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 18 V 6.86 3.68 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 0.11 0.00 0.00 0.52 0.00 0.00 19 S 7.86 4.75 0.00 4.01 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 20 F 9.06 4.48 0.00 3.35 3.12 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 21 K 7.98 4.40 0.00 1.89 1.83 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.44 7.81 22 D 7.63 4.33 0.00 2.68 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 23 I 7.30 3.73 1.36 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.28 -0.61 0.00 0.00 24 G 7.64 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 W 8.68 4.76 0.00 3.31 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 26 N 8.23 4.94 0.00 3.00 3.23 0.00 0.00 5.93 8.07 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 27 D 8.11 4.55 0.00 2.94 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 W 8.22 4.78 0.00 3.23 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 29 I 7.78 4.53 1.74 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.51 0.70 0.00 0.00 30 I 8.67 4.07 1.81 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.03 0.86 0.00 0.00 31 A 7.65 4.89 1.23 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 0.00 0.00 32 P 0.00 5.03 0.00 2.55 2.24 0.00 3.93 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.13 0.00 33 S 8.87 4.45 0.00 4.17 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.73 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 6.24 4.66 0.00 3.01 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 H 8.92 4.57 0.00 3.08 3.58 0.00 5.89 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.55 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.35 4.54 0.00 2.95 2.98 0.00 0.00 6.70 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 8.01 5.14 0.00 3.02 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 40 C 8.86 5.36 0.00 2.90 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 41 E 9.81 4.77 0.00 2.21 1.76 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 2.24 2.33 0.00 42 G 8.56 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 43 E 8.38 4.31 0.00 2.08 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 2.32 2.28 0.00 44 C 8.25 5.09 0.00 3.00 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 45 P 0.00 4.34 0.00 2.05 2.02 0.00 3.64 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 2.04 2.10 0.00 46 S 8.27 5.00 0.00 3.78 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 47 H 8.99 4.49 0.00 3.32 3.40 0.00 5.59 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 48 I 7.18 3.58 1.71 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 1.40 0.30 0.86 0.00 0.00 *55 S 7.57 4.26 0.00 4.01 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.71 4.76 0.00 1.63 1.61 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.36 4.42 0.00 4.13 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 58 F 8.89 3.95 0.00 3.21 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.46 4.36 0.00 3.37 3.39 0.00 5.73 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.08 4.16 0.00 3.94 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 61 T 8.02 3.77 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 1.07 0.00 0.00 62 V 7.70 3.52 2.22 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 1.09 0.00 0.00 0.85 0.00 0.00 63 I 7.92 3.47 1.88 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 1.41 0.95 1.05 0.00 0.00 64 N 8.63 4.29 0.00 2.97 2.88 0.00 0.00 6.85 7.72 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 65 H 8.27 3.88 0.00 3.05 3.22 0.00 5.64 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 66 Y 7.41 3.88 0.00 2.24 2.44 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 67 R 7.69 4.29 0.00 1.90 2.25 0.00 3.29 0.00 0.00 3.14 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 68 M 8.19 4.19 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.55 0.00 69 R 7.53 4.14 0.00 1.54 1.68 0.00 2.90 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.36 0.00 70 G 7.61 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 71 H 7.91 4.60 0.00 3.54 3.45 0.00 5.62 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.60 4.81 0.00 3.91 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 73 P 0.00 4.83 0.00 1.99 2.09 0.00 2.46 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 74 F 8.28 4.21 0.00 3.31 3.19 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 0.00 75 A 8.05 4.15 1.31 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 0.00 0.00 76 N 8.05 4.43 0.00 2.71 2.87 0.00 0.00 6.84 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 77 L 7.28 3.98 0.00 1.65 1.69 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.34 4.46 0.00 1.77 1.70 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.44 7.81 79 S 8.42 4.60 0.00 3.96 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 C 8.94 4.93 0.00 2.89 2.79 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 81 C 8.88 4.64 0.00 3.11 3.05 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 82 V 8.76 4.74 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 0.66 0.00 0.00 1.05 0.00 0.00 83 P 0.00 4.94 0.00 1.98 2.04 0.00 3.69 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 2.08 2.14 0.00 84 T 8.87 4.48 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 1.24 0.00 0.00 85 K 7.82 4.48 0.00 1.83 1.67 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.49 7.81 86 L 8.54 5.53 0.00 1.60 1.64 0.97 1.05 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 87 R 8.20 4.83 0.00 2.01 1.74 0.00 3.20 0.00 0.00 3.42 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 88 P 0.00 5.21 0.00 2.11 2.20 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.10 0.00 89 M 8.82 4.85 0.00 1.91 1.77 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 90 S 8.73 4.80 0.00 4.09 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 91 M 9.41 4.96 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 92 L 8.77 5.18 0.00 1.71 1.46 0.80 0.57 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 93 Y 8.40 5.21 0.00 3.19 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 94 Y 8.92 5.11 0.00 2.87 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 95 D 8.51 4.76 0.00 2.91 2.81 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 96 D 8.83 4.11 0.00 2.54 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 97 G 8.11 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.04 3.69 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.82 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 99 N 8.41 4.55 0.00 2.98 2.69 0.00 0.00 7.08 7.27 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 0.00 100 I 8.16 4.22 1.77 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 1.11 0.46 0.71 0.00 0.00 101 I 8.44 4.23 0.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.89 0.59 0.00 0.00 102 K 8.33 4.82 0.00 1.63 1.60 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.36 7.81 103 K 8.85 4.68 0.00 1.90 1.79 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.45 7.81 104 D 8.78 4.97 0.00 2.62 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 0.00 105 I 9.09 4.44 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.93 0.83 0.00 0.00 106 Q 8.71 4.51 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 107 N 8.50 4.26 0.00 2.90 2.95 0.00 0.00 6.81 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 0.00 108 M 8.58 4.57 0.00 1.65 2.17 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.49 0.00 109 I 7.58 4.90 1.98 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.41 1.11 0.00 0.00 110 V 8.66 4.00 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 0.72 0.00 0.00 1.10 0.00 0.00 111 E 9.42 4.61 0.00 1.97 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 0.00 2.24 2.32 0.00 112 E 8.02 4.87 0.00 1.92 1.77 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 2.30 2.33 0.00 113 C 8.64 5.46 0.00 2.80 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 0.00 114 G 8.55 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 0.00 0.00 0.00 0.00 115 C 8.69 5.29 0.00 2.89 3.05 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 0.00 116 S 8.46 4.45 0.00 3.97 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 * Residues marked with a * may have inaccurate shift predictions.