NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3428 8.3149 120.1428 55.3908 33.8729 175.3001 2 P 4.2855 0.0000 0.0000 61.8395 32.0029 176.3507 3 A 4.3059 8.4411 124.1733 54.4417 19.6229 179.6054 4 S 4.1199 8.0799 109.8504 61.3149 62.9620 175.5270 5 M 3.9914 7.6105 119.0694 57.1082 31.8172 176.3658 6 Y 4.8944 7.4567 112.1864 57.0167 40.9221 176.1808 7 R 4.2589 8.5994 118.5228 58.9380 29.7774 176.9912 8 D 4.8451 7.8257 116.5955 53.5785 41.7389 176.5989 9 I 4.2767 8.0215 123.4010 60.2091 35.9731 174.8920 10 D 4.9786 8.2768 124.0933 52.2408 40.1391 175.9647 11 K 4.6289 7.7729 116.5552 54.8579 36.1366 174.0614 12 P 4.4658 0.0000 0.0000 61.9395 31.9795 176.2505 13 A 4.3862 8.4358 123.1330 52.7082 18.8856 177.6451 14 Y 4.9177 9.8856 125.3419 55.6175 38.3881 175.4009 15 T 4.5385 7.7465 108.9415 60.5354 70.8844 175.9393 16 R 4.0733 7.6329 121.8336 56.0434 28.4312 177.1225 17 R 4.0043 8.1724 121.6709 57.6512 30.2326 177.7744 18 E 3.9647 7.6238 114.8994 57.4634 30.0168 176.5072 19 Y 4.8121 7.6931 114.8993 57.3165 39.7588 175.0518 20 I 4.5372 7.6988 121.1877 59.4757 39.4648 174.8492 21 T 4.5862 8.3853 114.9872 60.7500 71.2819 173.2849 22 G 3.7740 8.5394 107.9812 46.8560 0.0000 173.9794 23 I 4.0983 7.7329 120.0732 59.2262 38.0601 174.8008 24 P 4.3702 0.0000 0.0000 62.3449 31.8396 176.6151 25 G 3.7854 8.3305 110.2005 45.1896 0.0000 173.5033 26 S 4.4007 8.3715 115.8674 58.0614 62.9700 174.4093 27 K 4.1807 8.5722 124.6215 56.9849 32.3425 177.1532 28 I 4.0593 7.5157 120.3422 60.7372 36.3516 175.7943 29 A 4.2039 9.2310 130.2163 54.5589 18.4293 177.6525 30 Q 4.6870 7.5890 110.6389 55.3438 31.6559 173.8145 31 H 4.5479 8.9390 116.2237 56.3197 31.1134 174.3517 32 K 4.8234 8.1682 117.2335 55.1238 33.3625 175.7426 33 M 4.6226 8.8786 124.7909 53.1484 35.8175 179.1313 34 G 3.2007 8.8319 110.7507 46.1000 0.0000 177.5089 35 R 4.4129 7.9126 124.9469 53.4051 29.3202 176.2075 36 K 4.1120 8.2142 121.5940 58.9964 33.1290 179.1498 37 Q 4.0583 7.9407 118.1905 58.1075 28.9921 176.2803 38 K 4.2484 7.5381 118.1527 55.8270 33.0907 175.4280 39 D 4.7996 8.2885 121.0151 52.5625 42.5844 177.8751 40 A 3.5171 8.1986 123.7177 55.0848 18.4431 178.6535 41 D 4.6148 7.8920 112.9777 55.8077 41.1824 176.2557 42 D 4.7358 7.5855 119.1647 54.1615 40.7269 175.6022 43 Y 4.8550 7.5814 115.9589 55.5581 41.4683 173.9908 44 P 4.4305 0.0000 0.0000 64.9517 31.9362 176.8298 45 V 5.2650 7.6688 116.8589 60.5857 34.5192 174.9967 46 Q 4.5877 8.4773 127.0036 55.1164 32.1106 172.9440 47 I 5.0309 8.2915 127.4707 59.6479 40.2428 175.2496 48 S 5.2770 9.1643 122.3653 56.6915 66.8568 172.8388 49 L 4.7392 8.5708 124.7926 53.7618 43.4485 175.0697 50 I 4.8301 8.5017 128.3008 59.8347 39.2915 175.3622 51 V 4.0661 8.5110 127.5216 62.8573 32.0420 176.4470 52 E 4.4039 8.8204 126.9067 57.5242 30.2367 176.3107 53 E 4.7934 7.9575 117.2241 54.3647 33.2858 175.9367 54 T 4.4124 8.4526 119.3372 63.8113 69.2097 174.2149 55 V 4.6738 8.7507 119.4882 60.2980 36.9574 173.5228 56 Q 5.0129 8.6613 119.7912 54.4480 31.3290 175.6183 57 L 4.7532 8.8757 124.2061 52.7132 44.5538 176.8284 58 R 4.4657 8.6337 123.4018 55.8894 31.0043 177.4713 59 H 4.3039 8.8930 117.3153 58.8065 28.1620 178.2725 60 G 3.4715 7.9672 108.3071 47.7903 0.0000 175.8475 61 S 4.1983 8.1277 117.5962 61.1766 62.8764 176.6726 62 L 3.9981 7.8540 121.3037 57.7473 41.3216 179.0794 63 E 3.9038 8.2124 118.9964 59.1530 29.5993 178.6713 64 A 3.9865 7.9399 121.0446 55.2648 18.0402 179.7761 65 S 4.1076 8.3667 112.9004 61.2842 63.3048 176.6964 66 R 3.8730 8.2910 122.4411 59.0928 29.8074 178.0103 67 L 3.9570 8.2756 120.7620 58.2248 42.0156 178.8337 68 S 4.2224 8.1573 112.1243 59.8582 63.2552 175.0530 69 A 4.4394 7.4026 123.5534 54.4978 19.7036 178.7458 70 N 4.2753 8.0686 115.4688 56.6705 39.0714 177.0168 71 R 3.8986 8.3995 120.7377 59.3969 29.9800 178.0601 72 H 4.1792 7.9282 117.8081 59.1037 30.1322 177.1023 73 L 3.6580 7.6361 120.2234 57.2851 41.2590 179.3103 74 I 3.9993 7.7111 119.8998 63.5655 36.9642 178.0753 75 K 3.9535 7.5878 119.5167 58.7254 32.1507 177.9261 76 E 4.3067 8.0691 116.8578 56.5098 30.0877 176.5716 77 L 4.4494 7.8030 116.0477 53.4495 44.3716 177.4390 78 G 4.0443 7.8642 104.8764 44.8905 0.0000 174.3832 79 E 4.2983 8.4653 118.3965 58.3745 29.5275 177.8137 80 E 4.7443 7.7828 118.7063 55.4304 30.7908 175.4643 81 G 3.8548 8.0887 107.8646 45.4347 0.0000 174.3024 82 D 4.7070 8.3595 119.5916 53.3203 40.1629 174.2345 83 Y 4.7093 7.7937 123.3061 56.5580 41.3349 172.8908 84 K 4.3424 7.8862 115.5276 57.3514 35.8230 174.3282 85 M 5.2076 8.6581 125.1611 54.3121 35.4631 174.6176 86 T 5.0036 8.8959 119.1198 62.0504 72.8501 173.0622 87 L 4.1529 8.7751 130.3982 53.3149 41.8617 175.6717 88 R 4.5898 7.9219 125.4212 56.1277 29.9793 176.7376 89 K 4.7298 7.6886 117.0353 55.7369 36.2068 175.7751 90 F 4.6337 8.5840 120.4645 54.6780 41.8690 173.6270 91 P 4.5108 0.0000 0.0000 63.3571 30.3291 175.1522 92 H 4.6344 8.5181 121.5193 57.3226 30.0984 176.0061 93 Q 4.2024 7.9443 121.7122 55.9659 29.7044 175.6147 94 V 4.4686 8.7113 127.5539 62.4153 32.7227 175.0033 95 L 4.8444 8.9993 127.0958 53.2229 44.5735 176.0928 96 R 5.5246 8.0373 120.7402 54.3225 33.5921 174.6922 97 E 4.4858 8.1227 116.0793 55.5737 32.9843 175.0539 98 N 4.9692 8.4592 128.2063 51.6421 37.2198 175.0299 99 K 4.4451 7.3572 125.2509 54.8976 32.1397 176.4792 *111 D 4.4241 7.6368 119.1056 54.5977 43.9892 171.6724 112 G 3.8137 8.5599 121.0675 46.3772 0.0000 173.4965 113 M 4.4677 9.2981 119.7700 54.6918 33.7503 175.8566 114 R 3.9597 7.8853 119.9629 57.0143 31.4101 176.0426 115 A 3.7260 8.5699 127.1497 53.4312 15.6748 176.5978 116 A 4.5084 7.5963 120.0186 51.2613 19.8084 178.0040 117 F 3.9144 8.3417 118.9273 58.2174 39.5692 175.0588 118 G 3.9321 7.9430 115.3733 46.0238 0.0000 172.3246 119 K 4.7975 8.4231 119.3303 54.9805 35.3582 176.0853 120 I 4.3714 8.3961 122.6372 62.1220 36.8665 176.2001 121 V 4.3068 8.4947 119.5403 61.1356 34.2985 175.4986 122 G 4.0265 7.1675 105.0569 46.3350 0.0000 172.0733 123 T 5.3317 7.5748 107.8531 60.1752 72.7093 172.7616 124 A 5.0580 9.0939 123.4224 50.6937 23.4311 174.7094 125 A 4.8553 9.1030 122.5032 50.4752 21.2588 176.4182 126 R 4.7656 8.5812 121.9207 55.1845 31.6081 176.0933 127 V 4.5187 8.6662 124.1773 61.0220 34.4696 174.8310 128 Q 4.5694 9.4766 127.4976 55.0990 30.1474 175.7903 129 A 4.2574 8.4719 126.2449 53.8583 18.7573 178.2186 130 G 4.0474 9.3234 111.6913 45.0028 0.0000 173.7561 131 E 4.4870 8.0113 119.6183 55.6822 31.3674 175.5452 132 Q 4.7097 8.4037 120.6768 55.5533 29.4098 175.2085 133 L 4.0001 9.2497 127.4877 57.2952 43.2099 176.3348 134 F 5.3587 7.7371 115.4218 55.2726 43.4089 174.7793 135 T 5.0184 8.5208 116.4596 62.9552 72.4716 172.8635 136 A 5.2281 9.4528 128.9847 50.4265 22.4970 174.8644 137 Y 5.0864 8.5113 116.5258 56.4131 41.8465 174.7091 138 C 4.9594 8.5567 117.7337 57.1686 33.6383 173.2266 139 N 5.1022 8.8453 116.8408 52.3323 38.8931 176.7136 140 V 3.3985 8.3280 118.4884 66.1787 31.9109 178.0611 141 E 3.9892 8.2809 118.4377 59.7565 29.6794 178.2410 142 D 4.6761 7.7591 115.5009 54.9558 40.8198 178.0882 143 A 3.9932 7.6965 122.7083 55.1643 18.1838 179.5841 144 E 4.1246 8.0555 115.8059 58.7537 29.6724 178.6781 145 H 4.2184 8.0119 116.8275 58.4803 28.9077 177.9616 146 V 3.2478 7.5335 120.5225 64.4864 31.1412 178.5260 147 K 3.8613 7.4416 118.0591 59.2168 31.9823 178.9813 148 E 3.8443 7.8768 119.4912 59.0526 29.3958 178.6684 149 A 3.9158 8.1709 121.2322 55.0814 18.3448 179.5850 150 F 4.4080 8.0734 116.2946 60.2785 38.7537 178.0091 151 R 2.9275 7.5383 117.9863 59.2680 29.9725 178.5654 152 R 3.8521 7.6311 117.0422 58.8887 29.8330 178.9397 153 A 3.9420 7.4973 121.2228 54.9378 18.1951 178.4445 154 Y 4.5077 7.5577 113.1305 58.2404 38.4984 176.6389 155 N 4.7628 7.5757 118.2003 54.5188 38.9743 175.7024 156 K 4.5752 7.5052 118.4485 55.6369 32.5848 175.7755 157 I 4.7298 7.3844 111.3383 58.9454 40.5116 175.1538 158 T 3.9588 8.8411 119.4178 66.6928 68.3195 173.0330 159 P 4.6215 0.0000 0.0000 62.4739 32.8286 175.1819 160 S 4.5393 8.3991 115.3859 58.3577 64.3820 173.3700 161 C 5.2043 7.9534 118.3043 58.1789 32.5299 173.4745 162 R 4.5446 8.6758 120.2515 54.5076 32.3309 175.2357 163 I 4.4735 8.4891 125.5555 60.6683 38.1287 174.7405 164 D 4.8729 9.0296 127.4084 52.3494 43.9962 174.5547 165 S 4.3324 8.7486 121.3128 58.5456 62.3650 172.9738 166 S 4.1074 9.3903 127.3409 59.8826 62.3542 173.8031 167 P 4.5561 0.0000 0.0000 62.4415 32.3131 175.3851 168 A 4.7286 8.1244 121.6458 51.9700 19.9421 175.6337 169 G 4.1684 8.6841 110.4286 46.2889 0.0000 171.5631 170 N 4.8483 8.0552 114.7404 52.7409 39.2090 175.1074 171 A 4.2225 7.9838 126.7748 52.4821 18.8296 178.2570 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 K 8.31 4.34 0.00 1.90 1.88 0.00 1.97 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.54 7.81 2 P 0.00 4.29 0.00 2.25 1.96 0.00 3.60 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 3 A 8.44 4.31 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 4 S 8.08 4.12 0.00 3.96 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 5 M 7.61 3.99 0.00 1.28 1.81 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.31 0.00 6 Y 7.46 4.89 0.00 2.88 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 7 R 8.60 4.26 0.00 2.00 2.28 0.00 2.77 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 8 D 7.83 4.85 0.00 2.69 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 9 I 8.02 4.28 1.89 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 1.50 0.54 0.93 0.00 0.00 10 D 8.28 4.98 0.00 2.69 2.67 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 11 K 7.77 4.63 0.00 1.72 1.67 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.44 7.81 12 P 0.00 4.47 0.00 2.11 2.04 0.00 3.68 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 2.06 2.10 0.00 13 A 8.44 4.39 1.30 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 0.00 0.00 14 Y 9.89 4.92 0.00 2.94 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 15 T 7.75 4.54 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 1.30 0.00 0.00 16 R 7.63 4.07 0.00 2.00 1.99 0.00 3.29 0.00 0.00 3.37 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 17 R 8.17 4.00 0.00 1.70 1.90 0.00 3.15 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 18 E 7.62 3.96 0.00 1.41 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 1.56 1.47 0.00 19 Y 7.69 4.81 0.00 2.95 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 20 I 7.70 4.54 1.73 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.56 0.91 0.00 0.00 21 T 8.39 4.59 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 1.23 0.00 0.00 22 G 8.54 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 23 I 7.73 4.10 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.58 0.89 0.00 0.00 24 P 0.00 4.37 0.00 2.02 2.00 0.00 3.65 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 25 G 8.33 3.79 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 0.00 0.00 0.00 26 S 8.37 4.40 0.00 3.89 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 27 K 8.57 4.18 0.00 1.67 1.78 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.38 7.81 28 I 7.52 4.06 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.45 0.63 0.00 0.00 29 A 9.23 4.20 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 30 Q 7.59 4.69 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 31 H 8.94 4.55 0.00 3.18 3.32 0.00 5.77 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.17 4.82 0.00 1.66 1.78 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.52 7.81 33 M 8.88 4.62 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 34 G 8.83 3.20 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 0.00 35 R 7.91 4.41 0.00 1.89 1.85 0.00 3.21 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 36 K 8.21 4.11 0.00 1.86 1.94 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.46 7.81 37 Q 7.94 4.06 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.09 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 38 K 7.54 4.25 0.00 1.67 1.90 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.39 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.40 1.34 7.81 39 D 8.29 4.80 0.00 2.86 2.51 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 40 A 8.20 3.52 0.61 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 41 D 7.89 4.61 0.00 2.67 2.73 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 42 D 7.59 4.74 0.00 2.58 2.39 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 43 Y 7.58 4.85 0.00 3.02 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 44 P 0.00 4.43 0.00 2.12 2.16 0.00 4.00 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 2.09 2.11 0.00 45 V 7.67 5.26 2.34 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 1.07 0.00 0.00 0.98 0.00 0.00 46 Q 8.48 4.59 0.00 2.29 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.64 0.00 0.00 0.00 0.00 0.00 2.09 1.67 0.00 47 I 8.29 5.03 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.57 1.04 0.00 0.00 48 S 9.16 5.28 0.00 3.76 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 49 L 8.57 4.74 0.00 0.73 1.32 0.95 1.03 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 50 I 8.50 4.83 1.95 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 1.11 0.49 0.98 0.00 0.00 51 V 8.51 4.07 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 0.95 0.00 0.00 0.91 0.00 0.00 52 E 8.82 4.40 0.00 2.03 1.95 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 2.27 2.23 0.00 53 E 7.96 4.79 0.00 1.79 1.80 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 2.18 2.27 0.00 54 T 8.45 4.41 4.24 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 1.28 0.00 0.00 55 V 8.75 4.67 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 0.72 0.00 0.00 0.98 0.00 0.00 56 Q 8.66 5.01 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.63 0.00 0.00 0.00 0.00 0.00 2.30 2.55 0.00 57 L 8.88 4.75 0.00 1.51 1.55 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.63 4.47 0.00 1.89 1.87 0.00 2.94 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 59 H 8.89 4.30 0.00 3.35 3.53 0.00 5.26 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 60 G 7.97 3.47 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 0.00 61 S 8.13 4.20 0.00 4.07 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 62 L 7.85 4.00 0.00 1.77 1.66 0.82 0.90 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 63 E 8.21 3.90 0.00 2.13 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 2.38 2.36 0.00 64 A 7.94 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.37 4.11 0.00 4.23 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 66 R 8.29 3.87 0.00 2.31 2.05 0.00 3.27 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 1.79 1.95 0.00 67 L 8.28 3.96 0.00 2.18 1.81 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.16 4.22 0.00 4.02 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 69 A 7.40 4.44 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 70 N 8.07 4.28 0.00 2.93 2.85 0.00 0.00 6.93 6.93 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 71 R 8.40 3.90 0.00 2.05 1.89 0.00 3.13 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 72 H 7.93 4.18 0.00 3.21 3.37 0.00 5.92 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 73 L 7.64 3.66 0.00 1.56 0.78 0.72 0.22 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 74 I 7.71 4.00 2.04 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 1.48 0.76 0.91 0.00 0.00 75 K 7.59 3.95 0.00 1.84 1.88 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.43 7.81 76 E 8.07 4.31 0.00 1.71 1.74 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 2.07 2.23 0.00 77 L 7.80 4.45 0.00 1.54 1.60 0.76 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 78 G 7.86 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 0.00 0.00 0.00 79 E 8.47 4.30 0.00 1.99 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 2.35 0.00 80 E 7.78 4.74 0.00 1.92 1.91 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 2.23 2.33 0.00 81 G 8.09 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 82 D 8.36 4.71 0.00 2.73 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 83 Y 7.79 4.71 0.00 3.02 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 84 K 7.89 4.34 0.00 1.80 1.82 0.00 1.76 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.98 1.14 7.81 85 M 8.66 5.21 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.83 0.00 86 T 8.90 5.00 4.41 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 1.31 0.00 0.00 87 L 8.78 4.15 0.00 1.65 1.47 0.17 0.57 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 88 R 7.92 4.59 0.00 1.84 2.03 0.00 3.10 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 89 K 7.69 4.73 0.00 1.51 1.61 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.23 1.29 7.81 90 F 8.58 4.63 0.00 2.77 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 91 P 0.00 4.51 0.00 2.15 2.10 0.00 3.83 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 92 H 8.52 4.63 0.00 3.20 3.36 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 93 Q 7.94 4.20 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 94 V 8.71 4.47 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 0.93 0.00 0.00 0.92 0.00 0.00 95 L 9.00 4.84 0.00 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7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 115 A 8.57 3.73 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 0.00 116 A 7.60 4.51 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 0.00 117 F 8.34 3.91 0.00 2.98 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 0.00 118 G 7.94 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 0.00 0.00 0.00 119 K 8.42 4.80 0.00 1.92 1.99 0.00 1.35 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.43 7.81 120 I 8.40 4.37 1.93 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 1.45 0.59 0.99 0.00 0.00 121 V 8.49 4.31 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 0.83 0.00 0.00 0.94 0.00 0.00 122 G 7.17 4.03 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 0.00 123 T 7.57 5.33 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 1.16 0.00 0.00 124 A 9.09 5.06 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 0.00 125 A 9.10 4.86 1.25 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 0.00 0.00 126 R 8.58 4.77 0.00 1.74 1.90 0.00 3.19 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 127 V 8.67 4.52 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 1.00 0.00 0.00 0.89 0.00 0.00 128 Q 9.48 4.57 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 129 A 8.47 4.26 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 0.00 130 G 9.32 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 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2.86 0.00 0.00 6.44 7.68 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 0.00 140 V 8.33 3.40 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 1.01 0.00 0.00 1.01 0.00 0.00 141 E 8.28 3.99 0.00 2.02 2.01 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 2.33 2.35 0.00 142 D 7.76 4.68 0.00 2.58 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 0.00 143 A 7.70 3.99 1.37 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 0.00 0.00 0.00 0.00 0.00 144 E 8.06 4.12 0.00 1.89 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 2.35 2.29 0.00 145 H 8.01 4.22 0.00 3.23 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 7.53 3.25 1.81 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 0.67 0.00 0.00 0.15 0.00 0.00 147 K 7.44 3.86 0.00 2.01 1.87 0.00 1.95 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.60 7.81 148 E 7.88 3.84 0.00 2.08 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 2.19 2.13 0.00 149 A 8.17 3.92 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 0.00 150 F 8.07 4.41 0.00 3.23 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 0.00 151 R 7.54 2.93 0.00 1.82 1.85 0.00 3.21 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.61 0.00 152 R 7.63 3.85 0.00 1.93 1.84 0.00 2.98 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 153 A 7.50 3.94 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 0.00 154 Y 7.56 4.51 0.00 3.00 3.07 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 0.00 0.00 0.00 155 N 7.58 4.76 0.00 2.78 2.89 0.00 0.00 6.81 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 0.00 156 K 7.51 4.58 0.00 1.67 1.81 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.32 7.81 157 I 7.38 4.73 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.73 0.97 0.00 0.00 158 T 8.84 3.96 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 1.22 0.00 0.00 159 P 0.00 4.62 0.00 2.05 2.07 0.00 3.67 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 1.99 2.00 0.00 160 S 8.40 4.54 0.00 3.73 3.76 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 0.00 161 C 7.95 5.20 0.00 2.64 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 0.00 162 R 8.68 4.54 0.00 1.71 1.81 0.00 3.10 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 163 I 8.49 4.47 2.00 0.00 0.00 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 1.53 0.73 1.14 0.00 0.00 164 D 9.03 4.87 0.00 2.72 2.51 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 0.00 165 S 8.75 4.33 0.00 3.93 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 0.00 166 S 9.39 4.11 0.00 3.98 3.72 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 0.00 167 P 0.00 4.56 0.00 2.15 2.07 0.00 3.77 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 2.19 2.15 0.00 168 A 8.12 4.73 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 0.00 169 G 8.68 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 0.00 170 N 8.06 4.85 0.00 2.73 2.85 0.00 0.00 7.06 7.35 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 0.00 171 A 7.98 4.22 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 * Residues marked with a * may have inaccurate shift predictions.