NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4487 8.2644 123.5994 51.7683 20.0127 175.7278 2 C 4.5618 7.8640 120.8682 60.4574 38.1983 173.0656 3 G 4.0960 7.7269 103.9583 44.7027 0.0000 172.3849 4 L 4.1560 8.5460 121.2546 55.6765 43.0361 176.6356 5 V 4.7818 8.4432 125.0636 60.9663 34.0604 174.2472 6 A 4.8996 9.3725 129.8098 50.0877 21.9686 174.9483 7 S 5.1485 8.5370 115.7597 56.3677 66.7135 172.8774 8 N 4.2742 8.8810 113.7386 54.2381 35.7551 176.2889 9 L 3.9002 7.9266 119.9221 56.8447 41.8643 178.0430 10 N 4.1165 8.0445 113.8588 54.1965 37.2726 173.5925 11 L 4.1471 8.2127 119.2905 54.5487 43.0309 175.8066 12 K 4.9557 8.5429 124.7048 53.6478 34.5967 173.9061 13 P 3.4186 0.0000 0.0000 63.9112 31.5826 176.7092 14 G 4.0455 8.1424 110.5664 45.5892 0.0000 175.1662 15 E 4.1921 7.2928 123.6215 56.0179 29.5228 176.0837 *17 L 4.3096 8.3256 126.0170 56.2176 43.2420 177.0731 18 R 4.8307 8.8730 125.9302 54.4154 32.8038 175.2924 19 V 4.6305 8.8743 123.7209 61.0123 34.6816 173.9230 20 R 5.1906 8.6615 127.8340 54.7124 32.9748 174.5297 21 G 3.7392 8.9617 111.7347 45.1192 0.0000 170.9652 22 E 4.9829 8.5006 120.0814 54.6294 31.2108 175.9592 23 V 4.3295 8.7442 125.6145 61.9692 32.8282 175.1968 24 A 4.0880 8.5313 129.9296 52.0258 18.8457 176.8690 25 P 4.2442 0.0000 0.0000 64.6822 31.8319 177.0411 26 D 4.8286 7.5975 117.2647 52.3644 39.7620 176.5410 27 A 4.2315 7.6843 122.5997 53.5611 19.3653 177.6579 28 K 4.6329 10.0464 123.5442 58.0807 34.1273 176.8204 29 S 5.4219 7.9943 111.9883 57.4927 66.3519 173.2806 30 F 5.5937 8.5446 115.3216 55.3714 42.1978 173.4022 31 V 4.7326 9.0842 118.2980 61.1234 34.9148 173.8021 32 L 5.2890 9.1196 127.9085 53.1290 44.5291 174.9538 33 N 5.6170 9.5231 121.8947 51.5221 41.4173 173.8750 34 L 5.1950 9.9754 123.1907 51.7008 45.9547 176.8703 35 G 4.2729 8.1965 110.1926 46.8758 0.0000 174.8077 36 K 3.9972 9.1335 123.7252 58.1920 32.9593 175.8838 37 D 3.9633 7.0454 115.4497 52.3740 41.3698 175.5224 38 S 3.7645 7.7210 112.6637 60.6792 63.1759 174.5743 39 N 4.4051 8.2057 117.7729 53.5666 39.1464 173.7461 40 N 5.3568 7.9462 115.1212 51.1126 41.1440 172.4215 41 L 5.1799 8.8153 124.3442 52.8151 43.6909 177.3911 42 C 4.3111 8.9670 119.9470 60.4422 30.9881 173.6017 43 L 4.5696 8.3038 121.6446 53.6503 45.2038 174.8961 44 H 5.4437 9.4487 128.4110 54.2963 31.2280 173.5324 45 F 4.7676 9.3645 130.3666 56.6447 41.0854 173.9061 46 N 4.9611 8.0473 125.4079 49.3070 39.2994 169.7114 47 P 4.3559 0.0000 0.0000 62.0717 32.9661 175.1635 48 R 4.4562 8.9880 124.8895 54.5658 31.4084 177.0760 49 F 3.7598 8.9702 123.8618 60.1838 40.0931 175.2077 50 N 5.1915 8.4692 116.4052 53.0799 40.7658 172.8783 51 A 4.4129 9.3447 125.7232 52.3011 22.6856 176.1415 52 H 4.0046 9.7889 116.6253 56.7097 26.4766 176.0787 53 G 3.8847 8.3598 104.7810 45.6795 0.0000 173.3872 54 D 4.6923 8.2316 120.4251 52.2694 42.3245 175.2805 55 A 4.8801 8.1919 126.0138 51.6927 21.6056 176.0261 56 N 3.1400 8.0101 121.1787 53.9646 36.8890 174.7496 57 T 4.5681 7.2683 113.2833 61.7522 73.4878 174.9258 58 I 4.1949 8.3634 126.5022 60.3746 39.0219 174.5998 59 V 4.6322 8.1522 127.2159 61.2353 33.7472 174.0939 60 C 5.4437 8.8205 125.1517 57.3072 31.5953 172.5402 61 N 5.4575 8.2539 119.6533 52.9314 42.8902 172.1513 62 S 5.4644 8.9793 114.6894 56.3367 67.3035 172.7463 63 K 4.7675 9.0298 120.3142 54.9095 35.2412 174.0608 64 D 4.8604 9.2766 128.4599 52.5986 43.2931 176.4832 65 G 3.9994 10.2277 117.6323 46.5102 0.0000 173.7498 66 G 3.7258 8.3243 108.0318 44.3565 0.0000 173.8407 67 A 4.5547 7.6561 123.4828 49.8186 20.5334 176.2706 68 W 4.7553 8.5936 123.3759 57.1460 29.8096 177.2121 69 G 4.1714 8.9942 112.5295 46.1629 0.0000 172.5937 70 T 4.5146 8.5048 117.0308 62.9439 69.4873 174.9767 71 E 4.3974 8.8184 125.6576 56.4647 30.5202 175.8631 72 Q 4.7280 9.4596 125.1554 54.3613 32.0561 174.1138 73 R 4.9577 8.3979 124.5566 54.4210 31.9519 176.0062 74 E 4.1832 8.5564 123.6500 56.0913 30.0403 176.9498 75 A 4.3359 8.4968 122.8260 52.8529 19.7000 177.8719 76 V 4.4656 7.3473 107.7621 59.6180 34.9619 175.7997 77 F 4.4969 7.8046 123.3637 56.2985 39.3399 172.2474 78 P 4.5226 0.0000 0.0000 62.3332 31.8529 176.7226 79 F 5.0556 6.8094 116.8468 56.5890 41.2336 175.0863 80 Q 4.9406 8.6738 123.3475 53.6307 32.0390 173.2616 81 P 4.1897 0.0000 0.0000 63.5887 31.8982 176.0504 82 G 3.9547 8.6002 108.1431 46.8606 0.0000 173.4667 83 S 4.8137 7.6381 112.4733 55.9457 67.2359 172.8572 84 V 4.4755 8.4580 120.5920 62.2435 31.9153 174.7153 85 A 5.0043 8.9386 130.5040 50.2126 21.5945 174.6016 86 E 5.2189 8.9434 122.2187 54.6201 32.3020 174.9557 87 V 4.6714 8.6988 126.0282 61.0906 35.7259 173.4156 *89 I 4.3364 8.1502 120.0958 61.6373 38.0739 175.3285 90 T 5.1405 8.6763 120.3506 60.5560 71.7077 172.0095 91 F 5.5436 8.3394 118.2475 56.0117 40.8245 173.0241 92 D 4.7999 8.9996 117.6147 52.2093 42.0792 175.5357 93 Q 4.1869 8.9292 116.4233 59.2171 29.0404 177.4268 94 A 4.5659 7.8063 115.9858 53.1482 20.9189 177.1908 95 N 5.4574 8.9524 111.6382 51.7179 43.5567 174.0892 96 L 4.9784 9.2187 122.7251 54.3453 43.9225 175.7235 97 T 4.8652 9.1345 119.9047 61.7190 71.5811 173.1577 98 V 4.2130 8.3479 126.9760 60.9139 33.6252 174.2400 99 K 4.8591 8.4703 127.7175 55.1261 33.3442 176.2659 100 L 4.7167 8.5762 125.7131 52.1138 44.0612 174.4975 101 P 4.3707 0.0000 0.0000 63.8109 31.7331 176.4412 102 D 4.2884 9.2903 116.9035 55.5262 37.9095 175.3617 103 G 3.8166 8.3636 104.9135 45.8988 0.0000 174.1089 104 Y 4.4837 7.3935 116.9018 58.0514 39.0928 174.5291 105 E 5.3801 8.7264 118.4935 55.7784 32.6203 173.8218 106 F 5.1345 8.6073 114.9312 55.9209 41.8556 172.9431 107 K 5.2477 8.8921 118.6476 54.8959 34.5843 175.6718 108 F 5.0838 9.1852 125.0693 55.7097 42.8115 172.2791 109 P 4.5436 0.0000 0.0000 62.7385 32.0023 176.8780 110 N 4.6700 9.2404 123.3365 52.7404 37.1335 175.6153 111 R 3.9584 8.1497 122.0970 57.9975 30.6405 177.6434 112 L 4.3648 7.9246 115.0235 53.9399 42.5381 175.6812 113 N 4.2012 7.7477 115.8924 54.0783 36.6931 174.6524 114 L 4.2600 7.8997 115.8341 55.0243 42.6618 177.5349 115 E 4.7995 8.7604 118.9662 56.3476 31.1925 175.8257 116 A 5.2290 7.7644 119.0253 50.3888 22.8099 175.3903 117 I 4.3159 8.9227 121.5548 59.9458 39.1101 175.9495 118 N 5.0184 9.0139 123.2613 53.0315 41.2576 173.5651 119 Y 5.3001 8.3870 120.7298 55.8995 42.3693 173.7309 120 M 5.3193 8.8030 125.3175 53.8141 36.3173 173.5227 121 A 5.0863 8.8954 126.0575 50.1936 22.5784 174.6253 122 A 5.3638 9.0171 123.4010 50.7166 22.2233 175.1310 123 D 4.4209 9.1708 118.4294 54.3721 45.1868 176.0343 124 G 4.1234 8.8331 108.6890 45.9129 0.0000 174.3584 125 D 4.8403 8.6380 116.2173 52.7207 39.3318 176.9632 126 F 5.0541 7.7085 119.5026 56.9069 43.2299 173.8319 127 K 4.2970 8.4045 128.2972 54.2527 34.2801 175.0768 128 I 3.9483 8.1087 129.1501 61.3987 37.3441 176.1946 129 K 4.2085 8.7487 125.8946 56.6280 33.0366 176.4970 *131 V 3.9981 7.6309 119.8164 62.6343 32.2980 174.2948 132 A 4.4024 8.7408 128.9960 49.9005 22.7418 174.3659 133 F 5.2773 8.2140 119.0392 55.6165 41.3226 175.5255 134 D 4.2798 8.6126 122.4539 53.8555 38.8744 175.0224 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 A 8.26 4.45 1.35 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 2 C 7.86 4.56 0.00 3.07 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 3 G 7.73 4.10 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 0.00 0.00 0.00 4 L 8.55 4.16 0.00 1.73 1.57 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.44 4.78 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 0.86 0.00 0.00 0.99 0.00 0.00 6 A 9.37 4.90 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 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.54 5.15 0.00 3.93 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.88 4.27 0.00 2.90 2.95 0.00 0.00 6.93 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 9 L 7.93 3.90 0.00 1.71 1.71 0.98 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.04 4.12 0.00 2.76 2.75 0.00 0.00 6.91 7.78 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 11 L 8.21 4.15 0.00 1.82 1.75 1.09 0.91 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 12 K 8.54 4.96 0.00 2.02 1.64 0.00 1.88 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.46 7.81 13 P 0.00 3.42 0.00 1.77 1.47 0.00 3.56 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.68 0.00 14 G 8.14 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 0.00 0.00 0.00 15 E 7.29 4.19 0.00 2.18 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 2.35 2.23 0.00 *17 L 8.33 4.31 0.00 1.81 1.84 1.05 0.88 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 18 R 8.87 4.83 0.00 1.69 1.77 0.00 3.09 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 19 V 8.87 4.63 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 1.20 0.00 0.00 0.96 0.00 0.00 20 R 8.66 5.19 0.00 1.91 1.71 0.00 3.23 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 21 G 8.96 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 22 E 8.50 4.98 0.00 1.71 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 2.12 0.00 23 V 8.74 4.33 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 0.97 0.00 0.00 1.05 0.00 0.00 24 A 8.53 4.09 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 25 P 0.00 4.24 0.00 2.02 2.09 0.00 3.60 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 26 D 7.60 4.83 0.00 2.72 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 27 A 7.68 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 10.05 4.63 0.00 1.70 2.04 0.00 1.89 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.52 7.81 29 S 7.99 5.42 0.00 3.94 3.97 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 30 F 8.54 5.59 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 31 V 9.08 4.73 2.17 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 1.07 0.00 0.00 0.92 0.00 0.00 32 L 9.12 5.29 0.00 1.88 1.64 1.02 0.55 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 33 N 9.52 5.62 0.00 2.83 2.95 0.00 0.00 6.33 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 34 L 9.98 5.20 0.00 1.53 1.50 0.90 0.71 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 35 G 8.20 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 0.00 0.00 0.00 0.00 36 K 9.13 4.00 0.00 1.66 1.76 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.35 7.81 37 D 7.05 3.96 0.00 2.59 2.58 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 38 S 7.72 3.76 0.00 3.88 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 39 N 8.21 4.41 0.00 2.77 2.74 0.00 0.00 6.58 6.44 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 40 N 7.95 5.36 0.00 2.53 2.65 0.00 0.00 6.65 6.17 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 41 L 8.82 5.18 0.00 1.58 1.66 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 42 C 8.97 4.31 0.00 3.02 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 43 L 8.30 4.57 0.00 1.85 1.56 0.75 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 44 H 9.45 5.44 0.00 3.63 3.60 0.00 5.84 0.00 0.00 0.00 0.00 6.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.36 4.77 0.00 2.99 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 46 N 8.05 4.96 0.00 2.36 2.44 0.00 0.00 7.06 7.33 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 47 P 0.00 4.36 0.00 0.93 1.16 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.67 0.00 48 R 8.99 4.46 0.00 1.62 1.76 0.00 3.10 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 49 F 8.97 3.76 0.00 3.32 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 50 N 8.47 5.19 0.00 2.70 2.72 0.00 0.00 7.07 7.57 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 51 A 9.34 4.41 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 52 H 9.79 4.00 0.00 3.19 3.32 0.00 5.95 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.36 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 0.00 0.00 0.00 54 D 8.23 4.69 0.00 2.73 2.45 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 0.00 55 A 8.19 4.88 1.11 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 0.00 0.00 56 N 8.01 3.14 0.00 2.42 2.12 0.00 0.00 6.81 7.15 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 57 T 7.27 4.57 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 1.09 0.00 0.00 58 I 8.36 4.19 1.65 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 1.00 0.92 0.51 0.00 0.00 59 V 8.15 4.63 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 0.78 0.00 0.00 0.77 0.00 0.00 60 C 8.82 5.44 0.00 2.54 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 0.00 0.00 0.00 61 N 8.25 5.46 0.00 2.66 2.75 0.00 0.00 6.68 7.63 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 62 S 8.98 5.46 0.00 4.13 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 0.00 63 K 9.03 4.77 0.00 1.38 1.48 0.00 0.79 0.00 0.00 1.25 0.00 0.00 2.35 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 0.54 7.81 64 D 9.28 4.86 0.00 2.71 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 65 G 10.23 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.32 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 67 A 7.66 4.55 1.24 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 0.00 0.00 68 W 8.59 4.76 0.00 3.18 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 69 G 8.99 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 0.00 0.00 0.00 0.00 70 T 8.50 4.51 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 1.24 0.00 0.00 71 E 8.82 4.40 0.00 1.80 1.82 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 2.16 2.18 0.00 72 Q 9.46 4.73 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 73 R 8.40 4.96 0.00 1.65 1.74 0.00 3.21 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 1.44 1.53 0.00 74 E 8.56 4.18 0.00 1.59 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 1.76 1.47 0.00 75 A 8.50 4.34 1.27 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 0.00 0.00 0.00 76 V 7.35 4.47 1.51 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 0.79 0.00 0.00 0.92 0.00 0.00 77 F 7.80 4.50 0.00 2.94 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 78 P 0.00 4.52 0.00 1.88 1.70 0.00 3.12 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.59 0.00 79 F 6.81 5.06 0.00 2.24 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 80 Q 8.67 4.94 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.01 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 81 P 0.00 4.19 0.00 2.02 1.72 0.00 3.92 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.34 0.00 82 G 8.60 3.95 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 0.00 83 S 7.64 4.81 0.00 3.92 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 84 V 8.46 4.48 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 0.81 0.00 0.00 0.92 0.00 0.00 85 A 8.94 5.00 1.61 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 0.00 0.00 86 E 8.94 5.22 0.00 2.01 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 2.22 2.38 0.00 87 V 8.70 4.67 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 0.76 0.00 0.00 1.16 0.00 0.00 *89 I 8.15 4.34 1.86 0.00 0.00 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 1.01 0.49 0.91 0.00 0.00 90 T 8.68 5.14 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 1.21 0.00 0.00 91 F 8.34 5.54 0.00 3.23 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 92 D 9.00 4.80 0.00 2.79 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 93 Q 8.93 4.19 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 94 A 7.81 4.57 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 95 N 8.95 5.46 0.00 2.71 2.71 0.00 0.00 6.89 7.59 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 96 L 9.22 4.98 0.00 1.92 1.66 1.08 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 97 T 9.13 4.87 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 1.16 0.00 0.00 98 V 8.35 4.21 0.67 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 0.44 0.00 0.00 0.47 0.00 0.00 99 K 8.47 4.86 0.00 1.62 1.70 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.39 7.81 100 L 8.58 4.72 0.00 1.53 1.45 1.22 1.32 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 0.00 101 P 0.00 4.37 0.00 2.11 1.98 0.00 3.33 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.29 0.00 102 D 9.29 4.29 0.00 3.09 2.88 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 0.00 103 G 8.36 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 0.00 104 Y 7.39 4.48 0.00 3.04 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 0.00 105 E 8.73 5.38 0.00 2.03 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 2.22 2.35 0.00 106 F 8.61 5.13 0.00 3.17 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 0.00 107 K 8.89 5.25 0.00 1.76 1.84 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.70 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.47 7.81 108 F 9.19 5.08 0.00 3.35 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 0.00 109 P 0.00 4.54 0.00 1.65 1.82 0.00 2.26 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 110 N 9.24 4.67 0.00 2.76 2.91 0.00 0.00 7.10 7.55 0.00 0.00 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 R 8.15 3.96 0.00 1.87 1.99 0.00 3.32 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 112 L 7.92 4.36 0.00 1.61 1.70 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 113 N 7.75 4.20 0.00 2.77 2.86 0.00 0.00 6.96 8.60 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 0.00 114 L 7.90 4.26 0.00 1.52 1.69 0.85 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.76 4.80 0.00 1.99 2.03 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 2.29 2.32 0.00 116 A 7.76 5.23 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 0.00 117 I 8.92 4.32 1.81 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.01 0.90 0.00 0.00 118 N 9.01 5.02 0.00 2.73 2.86 0.00 0.00 6.48 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 0.00 119 Y 8.39 5.30 0.00 3.17 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 0.00 120 M 8.80 5.32 0.00 1.98 1.80 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 121 A 8.90 5.09 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 0.00 122 A 9.02 5.36 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 0.00 123 D 9.17 4.42 0.00 2.90 2.57 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 0.00 124 G 8.83 4.12 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 0.00 125 D 8.64 4.84 0.00 2.72 2.66 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 0.00 0.00 0.00 126 F 7.71 5.05 0.00 2.33 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 0.00 127 K 8.40 4.30 0.00 1.67 1.41 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.16 1.27 7.81 128 I 8.11 3.95 1.78 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 1.35 0.50 0.85 0.00 0.00 129 K 8.75 4.21 0.00 1.52 1.75 0.00 1.62 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.23 1.41 7.81 *131 V 7.63 4.00 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 0.48 0.00 0.00 0.89 0.00 0.00 132 A 8.74 4.40 1.06 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 0.00 133 F 8.21 5.28 0.00 2.94 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 0.00 134 D 8.61 4.28 0.00 2.74 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 * Residues marked with a * may have inaccurate shift predictions.