NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.2196 8.3344 115.2939 58.1843 62.0175 172.6652 8 K 4.4407 7.9728 129.7992 54.2371 34.6431 175.6949 9 D 4.5710 8.6104 119.2719 57.7034 41.6973 178.2941 10 I 4.0059 7.7834 107.6103 61.6147 36.7626 176.0796 11 R 4.3069 7.0573 120.0022 57.2771 31.0315 177.3036 12 D 4.6002 7.8704 119.0810 53.3551 42.5813 176.6015 13 Y 4.8828 7.7896 118.5207 55.6778 38.4083 176.7081 14 S 4.5278 8.6978 120.5985 57.9177 65.2899 175.4919 15 G 3.6293 8.5607 108.9038 47.8830 0.0000 175.7770 16 L 4.0653 7.8846 122.1510 57.9319 41.8998 178.7311 17 E 4.1674 8.3014 118.5154 59.1580 29.4145 179.1616 18 L 3.9762 7.9360 118.7311 57.3498 41.5620 179.2207 19 A 3.9811 7.9615 121.0290 54.6955 17.9974 179.2304 20 F 4.2884 8.2645 119.3743 61.6782 39.4564 177.2436 21 L 3.7302 7.8599 119.7173 57.7835 41.7624 179.0412 22 G 3.5761 8.0376 105.8451 47.9068 0.0000 175.1654 23 D 4.4500 8.9642 121.4585 56.7785 41.0069 178.2768 24 A 3.8717 7.3396 121.1739 54.9685 18.4898 179.1884 25 I 3.4866 7.5029 118.0529 64.4659 37.1962 178.1490 26 W 4.1477 8.4960 128.9422 60.5934 30.4317 177.6224 27 E 3.9487 8.1523 117.8449 59.4118 28.8979 178.8899 28 L 3.9018 8.0363 120.3565 58.4400 41.9961 178.9402 29 E 3.8455 8.1604 118.1867 59.5404 29.2421 179.5413 30 I 3.6260 7.6740 119.9999 64.2067 36.9717 178.7798 31 R 4.0309 8.3960 119.4952 59.1916 29.7064 179.0045 32 K 3.9085 8.0692 118.5184 59.3868 32.2200 178.1074 33 Y 3.8995 7.7434 119.6034 60.8722 39.0445 177.1260 34 Y 4.3943 7.8499 116.0504 59.5069 37.9262 176.9860 35 L 4.3454 7.4854 120.9659 56.3433 42.4282 176.7859 36 Q 3.9978 6.9455 115.0990 56.9147 28.8502 176.2653 37 F 4.4306 7.3086 116.0795 57.2187 40.2842 175.7737 38 G 3.6717 8.0522 107.3976 46.3182 0.0000 172.9859 39 Y 4.6647 7.6363 115.7318 56.5095 39.7079 175.6958 40 N 4.7616 8.5981 120.2214 52.4737 39.5872 176.1689 41 I 3.7199 8.3615 122.3410 64.1642 37.2179 176.7307 42 P 4.1967 0.0000 0.0000 66.3757 31.0525 178.5211 43 T 3.5869 7.7706 115.3186 65.8125 68.3944 176.0904 44 L 4.0257 8.2687 122.6813 58.4336 41.9852 178.9364 45 N 4.2890 8.3814 116.4519 56.2223 38.2854 177.2320 46 K 3.7288 7.7373 119.7967 59.7669 32.4468 178.1568 47 Y 4.1007 7.5557 117.2621 60.7758 37.8880 178.2175 48 V 3.6695 7.6373 119.9428 65.0631 30.9192 178.2491 49 K 3.9522 8.3910 120.1041 59.1348 31.8565 178.3869 50 A 4.2045 7.7523 119.1662 53.6795 18.3850 178.4133 51 K 3.8079 7.8222 114.5860 55.8504 33.9447 177.4229 52 V 4.5916 7.5080 117.7762 61.0327 32.6381 176.3005 53 N 4.6919 7.3834 117.3662 52.2640 39.6555 175.1811 54 A 3.8031 8.6373 123.9232 55.7447 18.3458 179.8935 55 K 3.7490 8.1494 115.5087 60.1581 32.3409 178.4197 56 Y 3.9856 9.1236 119.4184 60.9535 38.7096 178.3470 57 Q 3.7501 8.1134 118.7154 58.7293 28.7776 178.3922 58 S 4.0190 8.2862 114.6452 61.6206 62.4870 176.1416 59 L 3.8807 7.6820 122.5698 58.2803 41.5269 179.0372 60 I 3.6410 7.0084 118.4812 64.1918 37.2299 177.4800 61 Y 4.1912 7.9194 120.6453 60.7532 38.4961 178.2463 62 K 3.6814 7.8093 118.5662 59.1087 32.2135 178.8909 63 K 4.1856 7.5827 118.7733 58.1326 32.0832 177.2730 64 I 4.6279 7.2555 110.7803 60.5546 38.4576 176.3113 65 I 3.6682 7.7018 123.4587 64.8250 38.1469 177.6603 66 N 4.3308 8.0548 116.0995 56.6391 38.3789 176.2264 67 D 4.4703 7.9027 114.9260 55.8023 41.1157 176.6587 68 L 4.2646 7.1972 120.9266 54.5352 42.8965 176.6814 69 D 4.6319 8.7320 122.4211 53.7297 42.7759 177.0992 70 E 3.9053 8.8412 123.3900 59.8908 29.0605 179.2621 71 E 3.7274 8.0678 118.3658 59.7755 29.5248 179.0950 72 F 4.4823 7.5422 116.4697 60.0323 39.0713 177.9140 73 K 4.0860 8.2431 118.8253 59.2909 31.7884 179.1776 74 V 3.5632 8.1446 118.9042 66.3263 31.4080 177.8725 75 I 3.7919 7.5615 118.7463 65.1943 37.0055 177.6775 76 G 3.8364 8.3373 105.3947 48.2961 0.0000 175.0233 77 K 3.9283 8.5666 120.5660 58.8375 32.2601 179.1992 78 R 3.8962 8.5285 117.9411 59.5915 30.0670 178.0434 79 A 4.1632 8.4412 119.4510 54.6357 18.5462 179.0951 80 K 4.2400 8.2505 116.9126 58.4909 32.4871 177.0857 81 N 4.7964 7.5832 115.8780 50.9678 39.2271 174.6976 82 S 4.9389 8.4176 125.3110 57.2143 65.6549 176.7898 83 N 4.2772 8.8840 122.4344 53.4135 38.5476 172.7792 *86 T 4.0739 8.6367 112.6321 61.3463 70.5760 173.3308 87 F 4.2026 8.6225 124.2774 56.2459 38.9248 173.6990 88 P 4.2383 0.0000 0.0000 61.9887 30.3348 176.8852 89 R 4.0488 8.4034 117.6884 56.9969 29.0108 177.3368 90 S 4.6723 7.5816 112.9179 58.6545 64.9036 173.0081 91 C 4.6530 7.5560 113.6721 56.9926 32.3448 173.5369 92 T 4.1195 8.6483 111.4030 60.9727 69.6482 175.7320 93 V 3.7564 8.0991 116.9475 64.2046 31.2527 177.0784 *95 E 4.4932 8.1426 119.1245 56.4905 31.4968 177.5422 96 Y 3.8627 7.6575 119.2069 60.3506 38.5989 177.8472 97 K 4.0224 8.3638 119.7490 59.4710 31.7312 179.2042 98 E 3.4922 8.0155 118.2100 58.7943 29.4165 179.0133 99 A 3.7043 7.5163 120.6985 55.3383 18.4066 179.9082 100 T 3.8055 7.3648 107.5599 64.5496 68.6041 176.5184 101 A 3.7418 7.2001 124.0680 54.5385 18.1893 179.3533 102 L 3.7689 7.4906 118.8974 58.2191 42.0339 178.9600 103 E 3.8287 7.7915 118.2231 59.3730 29.3638 179.0593 104 A 4.1399 8.0726 120.9228 55.3824 18.1669 179.7767 105 I 3.7121 7.6357 116.8791 64.6070 37.2805 178.2078 106 I 3.9065 8.1001 120.0287 64.6090 37.2234 177.9888 107 G 3.9924 9.0659 107.0531 47.9509 0.0000 176.1120 108 A 4.2479 7.9610 120.3870 52.7744 18.0936 178.6931 *110 Y 4.3989 7.8692 121.3757 58.9893 40.6184 177.0377 111 L 3.5973 8.4284 120.1646 57.6327 42.0417 178.4007 112 L 4.3607 8.1046 116.6350 53.9426 41.8325 177.3691 113 K 3.8549 8.8131 117.8076 57.4982 30.4359 176.1905 114 K 4.4721 7.3079 117.2915 56.7318 32.6518 178.7706 115 E 3.9952 8.0964 120.7353 59.4163 29.7188 178.2555 116 E 3.9882 8.1500 118.9109 59.0363 29.5489 178.3617 117 E 4.1203 8.1954 118.7112 58.9302 29.5682 179.0581 118 I 3.7502 7.5297 119.7094 64.0821 37.1823 178.0976 119 K 3.9546 8.1615 120.6400 59.2477 32.0543 179.0204 120 K 3.9421 7.5568 118.0029 59.4778 31.8632 179.3061 121 I 3.7621 7.5040 120.0816 64.6315 37.0189 178.6744 122 I 3.6142 7.8153 120.5217 64.2261 36.8129 178.3324 123 N 4.3169 8.2870 118.0020 56.1655 38.1521 177.4869 124 I 3.9702 7.5313 113.3514 63.6170 37.4017 178.4449 125 V 3.8579 7.4934 120.7060 65.8355 31.2646 178.0743 126 I 3.3173 7.8094 113.0800 64.0202 37.3977 178.1622 127 K 3.9770 8.6074 121.2054 58.6565 31.6238 178.9950 128 G 3.7289 7.6880 103.9410 46.4100 0.0000 174.5051 129 E 4.5958 9.4436 120.3175 58.0703 30.8717 177.9760 130 L 4.1859 7.7749 117.4716 56.6373 41.4528 178.8797 131 E 3.8715 7.6354 119.6971 59.3801 29.5811 177.5595 132 H 4.6333 7.9238 113.7298 55.8086 28.5596 175.9890 133 H 4.3248 7.5454 116.8622 56.5717 26.8804 174.4898 134 H 4.6309 7.5235 114.8133 55.3585 29.7934 175.1494 135 H 4.4954 8.6487 115.4009 57.0438 27.8357 175.3283 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 7 S 8.33 4.22 0.00 3.76 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 8 K 7.97 4.44 0.00 2.00 1.73 0.00 1.74 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.65 7.81 9 D 8.61 4.57 0.00 2.89 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 10 I 7.78 4.01 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 1.32 0.55 0.93 0.00 0.00 11 R 7.06 4.31 0.00 1.82 2.10 0.00 3.26 0.00 0.00 3.21 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 12 D 7.87 4.60 0.00 2.55 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 13 Y 7.79 4.88 0.00 3.12 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 14 S 8.70 4.53 0.00 4.06 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 15 G 8.56 3.63 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 0.00 0.00 0.00 16 L 7.88 4.07 0.00 1.79 1.68 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.30 4.17 0.00 2.43 2.20 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 2.38 2.41 0.00 18 L 7.94 3.98 0.00 1.90 1.84 0.95 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.96 3.98 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 20 F 8.26 4.29 0.00 3.22 3.28 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 21 L 7.86 3.73 0.00 1.75 1.73 0.70 0.88 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 22 G 8.04 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.96 4.45 0.00 2.97 2.84 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 24 A 7.34 3.87 1.12 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 0.00 0.00 25 I 7.50 3.49 1.99 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.30 0.96 0.00 0.00 26 W 8.50 4.15 0.00 3.47 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 27 E 8.15 3.95 0.00 2.36 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 2.43 2.51 0.00 28 L 8.04 3.90 0.00 1.69 1.83 0.90 1.30 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 29 E 8.16 3.85 0.00 1.82 1.70 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 2.43 2.40 0.00 30 I 7.67 3.63 1.77 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.37 1.10 0.00 0.00 31 R 8.40 4.03 0.00 2.05 2.00 0.00 3.14 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 32 K 8.07 3.91 0.00 1.87 1.92 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.40 7.81 33 Y 7.74 3.90 0.00 2.81 2.83 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 34 Y 7.85 4.39 0.00 3.17 3.14 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 35 L 7.49 4.35 0.00 1.86 1.74 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 6.95 4.00 0.00 1.74 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.57 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 37 F 7.31 4.43 0.00 2.65 2.48 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 0.00 0.00 0.00 0.00 38 G 8.05 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 39 Y 7.64 4.66 0.00 3.26 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 40 N 8.60 4.76 0.00 2.98 3.00 0.00 0.00 6.04 7.61 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 41 I 8.36 3.72 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 1.72 0.94 0.96 0.00 0.00 42 P 0.00 4.20 0.00 2.21 2.28 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 43 T 7.77 3.59 4.35 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 0.69 0.00 0.00 44 L 8.27 4.03 0.00 2.04 1.97 1.17 0.64 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 45 N 8.38 4.29 0.00 3.04 2.81 0.00 0.00 6.68 9.21 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 46 K 7.74 3.73 0.00 1.65 1.63 0.00 1.66 0.00 0.00 1.47 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.13 1.32 7.81 47 Y 7.56 4.10 0.00 2.73 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.64 3.67 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 0.86 0.00 0.00 0.99 0.00 0.00 49 K 8.39 3.95 0.00 2.11 1.81 0.00 1.54 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.51 7.81 50 A 7.75 4.20 1.33 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 51 K 7.82 3.81 0.00 1.73 1.77 0.00 1.50 0.00 0.00 0.61 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.14 1.54 7.81 52 V 7.51 4.59 2.42 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 0.88 0.00 0.00 1.22 0.00 0.00 53 N 7.38 4.69 0.00 3.11 3.16 0.00 0.00 6.74 7.84 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 54 A 8.64 3.80 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 55 K 8.15 3.75 0.00 2.03 1.94 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.89 1.56 7.81 56 Y 9.12 3.99 0.00 3.12 3.21 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 57 Q 8.11 3.75 0.00 2.05 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.50 0.00 0.00 0.00 0.00 0.00 2.08 2.61 0.00 58 S 8.29 4.02 0.00 3.96 4.09 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 59 L 7.68 3.88 0.00 1.70 1.54 0.86 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.01 3.64 1.81 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 0.89 0.96 0.97 0.00 0.00 61 Y 7.92 4.19 0.00 2.87 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 62 K 7.81 3.68 0.00 1.72 1.79 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.73 7.81 63 K 7.58 4.19 0.00 1.95 1.86 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.45 7.81 64 I 7.26 4.63 1.84 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 0.84 0.89 0.00 0.00 65 I 7.70 3.67 1.09 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 1.05 1.03 0.68 0.00 0.00 66 N 8.05 4.33 0.00 2.70 2.83 0.00 0.00 6.92 8.06 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 67 D 7.90 4.47 0.00 2.65 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 68 L 7.20 4.26 0.00 1.82 1.65 0.99 1.21 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 69 D 8.73 4.63 0.00 2.91 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.84 3.91 0.00 1.93 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 2.41 2.34 0.00 71 E 8.07 3.73 0.00 1.72 1.22 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 1.91 2.23 0.00 72 F 7.54 4.48 0.00 3.35 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 73 K 8.24 4.09 0.00 1.97 1.89 0.00 1.93 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.52 1.80 7.81 74 V 8.14 3.56 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 1.04 0.00 0.00 0.98 0.00 0.00 75 I 7.56 3.79 2.12 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 1.51 0.80 0.96 0.00 0.00 76 G 8.34 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 77 K 8.57 3.93 0.00 1.92 1.88 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 78 R 8.53 3.90 0.00 1.86 2.13 0.00 3.33 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 79 A 8.44 4.16 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 80 K 8.25 4.24 0.00 1.83 1.91 0.00 1.91 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.76 7.81 81 N 7.58 4.80 0.00 2.72 2.80 0.00 0.00 6.81 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 82 S 8.42 4.94 0.00 3.73 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 83 N 8.88 4.28 0.00 2.64 2.75 0.00 0.00 5.86 7.71 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 *86 T 8.64 4.07 4.20 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 1.18 0.00 0.00 87 F 8.62 4.20 0.00 2.99 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 88 P 0.00 4.24 0.00 2.13 1.94 0.00 3.29 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.82 0.00 89 R 8.40 4.05 0.00 2.08 2.35 0.00 3.24 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 90 S 7.58 4.67 0.00 3.84 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 91 C 7.56 4.65 0.00 3.28 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 92 T 8.65 4.12 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 93 V 8.10 3.76 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 0.99 0.00 0.00 0.94 0.00 0.00 *95 E 8.14 4.49 0.00 2.29 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 2.29 2.26 0.00 96 Y 7.66 3.86 0.00 2.94 3.03 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 97 K 8.36 4.02 0.00 1.83 1.93 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.70 7.81 98 E 8.02 3.49 0.00 2.08 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 2.79 2.39 0.00 99 A 7.52 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 7.36 3.81 4.13 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 0.94 0.00 0.00 101 A 7.20 3.74 0.68 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 0.00 0.00 102 L 7.49 3.77 0.00 1.55 1.46 0.85 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 7.79 3.83 0.00 2.05 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 2.16 2.13 0.00 104 A 8.07 4.14 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 0.00 105 I 7.64 3.71 2.04 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.91 0.91 0.00 0.00 106 I 8.10 3.91 2.07 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.86 1.03 0.00 0.00 107 G 9.07 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 0.00 0.00 0.00 108 A 7.96 4.25 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *110 Y 7.87 4.40 0.00 3.07 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 0.00 111 L 8.43 3.60 0.00 1.66 1.77 0.36 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.10 4.36 0.00 1.89 1.78 1.15 0.94 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 0.00 113 K 8.81 3.85 0.00 1.73 1.83 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.30 7.81 114 K 7.31 4.47 0.00 2.06 1.80 0.00 1.64 0.00 0.00 1.81 0.00 0.00 3.16 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.73 1.62 7.81 115 E 8.10 4.00 0.00 1.94 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 2.24 2.18 0.00 116 E 8.15 3.99 0.00 2.06 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 2.37 2.46 0.00 117 E 8.20 4.12 0.00 1.99 1.84 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 2.33 2.51 0.00 118 I 7.53 3.75 2.05 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.52 0.98 0.00 0.00 119 K 8.16 3.95 0.00 1.82 1.93 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.46 7.81 120 K 7.56 3.94 0.00 2.18 1.84 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.48 7.81 121 I 7.50 3.76 2.15 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 1.55 0.97 1.19 0.00 0.00 122 I 7.82 3.61 1.88 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.81 0.64 0.00 0.00 123 N 8.29 4.32 0.00 2.89 2.84 0.00 0.00 6.67 6.88 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 0.00 124 I 7.53 3.97 1.88 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 1.44 0.61 1.01 0.00 0.00 125 V 7.49 3.86 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 1.15 0.00 0.00 1.34 0.00 0.00 126 I 7.81 3.32 1.49 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 1.61 0.60 -0.05 0.00 0.00 127 K 8.61 3.98 0.00 1.87 1.91 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.49 7.81 128 G 7.69 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 0.00 0.00 0.00 129 E 9.44 4.60 0.00 2.20 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 2.39 2.39 0.00 130 L 7.77 4.19 0.00 1.67 1.73 1.07 1.12 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 0.00 131 E 7.64 3.87 0.00 2.06 1.78 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 2.19 2.27 0.00 132 H 7.92 4.63 0.00 3.16 3.26 0.00 5.80 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 H 7.55 4.32 0.00 3.31 3.40 0.00 5.65 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 H 7.52 4.63 0.00 3.26 3.26 0.00 5.52 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 0.00 135 H 8.65 4.50 0.00 2.76 2.28 0.00 5.80 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 * Residues marked with a * may have inaccurate shift predictions.