NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 54 K 4.3077 8.1727 122.0403 56.1324 35.5501 177.8586 55 M 4.4563 8.6197 121.7971 53.5598 34.1337 171.1497 56 Y 4.4982 8.7072 125.2056 57.2644 40.5519 174.4547 57 G 3.2199 8.5188 109.0270 42.2787 0.0000 172.4475 58 P 4.0230 0.0000 0.0000 63.3964 31.3900 177.7429 59 G 3.7987 7.7507 106.6254 44.4117 0.0000 172.1515 60 G 3.8422 9.1136 107.9371 45.5007 0.0000 173.1167 61 G 3.6568 8.7614 110.2910 43.5813 0.0000 172.7061 62 K 4.1666 7.6584 117.1833 56.5689 32.8310 176.8805 63 Y 4.9689 8.7285 125.6779 57.7731 40.0077 174.0770 64 F 5.1741 8.1352 117.8198 56.0695 41.8613 172.8237 65 S 5.1097 8.5035 113.1654 57.4598 65.6141 173.2996 66 T 4.5352 8.5638 113.8665 60.9212 70.1696 174.7664 67 T 4.0831 8.4845 121.3417 64.1938 69.2641 174.2284 68 E 3.9652 8.7516 124.6874 58.6632 30.6478 177.1019 69 D 4.9320 8.5319 122.5479 54.9730 39.4059 176.6809 70 Y 4.0891 7.7136 115.2740 58.6644 37.0374 170.1092 71 D 4.8407 8.5942 116.5710 53.2761 40.7259 175.6153 72 H 4.9137 8.0415 117.2149 54.1265 30.8572 174.3681 73 E 4.4755 8.6930 122.2251 55.6412 31.7180 175.3719 74 I 4.5751 8.2683 122.2319 61.3177 37.5923 176.1782 75 T 4.3546 8.8416 117.1066 61.0384 70.8526 173.6598 76 G 3.9388 7.3712 108.4082 46.6474 0.0000 171.8717 77 L 5.2933 8.5212 117.9478 53.7926 46.9691 175.1799 78 R 4.9614 9.5245 121.2965 54.5126 33.7642 174.3656 79 V 4.6353 8.2748 124.5915 60.7989 34.2337 174.1614 80 S 4.9935 8.3594 122.6114 56.8608 65.1949 173.1156 81 V 4.5359 8.4458 124.3195 60.3215 34.4325 176.3154 82 G 4.1693 8.7338 118.7105 45.3372 0.0000 174.4612 83 L 3.6644 8.1729 116.7176 56.0633 40.0151 174.1600 84 L 4.6431 7.8946 116.6655 55.7177 47.7782 175.0846 85 L 4.8071 7.4931 117.5580 52.9298 45.8406 174.8227 86 V 3.9276 9.0216 123.7453 63.1868 32.1517 176.5850 87 K 4.2094 9.2776 128.4581 58.5645 33.6368 176.8617 88 S 4.8201 7.5328 112.0561 57.0032 66.7853 173.2814 89 V 4.7394 8.0413 112.9721 59.7325 35.8038 174.8365 90 Q 4.7594 8.8853 124.8036 55.0074 32.4841 174.0779 91 V 4.6767 8.6202 119.5123 60.1153 34.3964 174.5265 92 K 4.1947 8.0644 124.2582 54.4566 34.2278 175.1019 93 L 5.3625 7.8366 126.5734 53.1124 44.2259 178.1987 94 G 3.9470 8.6205 117.9564 46.4195 0.0000 172.8355 95 D 4.8133 9.1153 121.3072 53.5365 42.1305 175.3942 96 S 4.7887 7.5026 116.3086 56.1512 65.4228 173.3240 97 W 4.5141 8.7253 125.0513 56.4870 29.5966 175.8635 98 D 4.8331 9.3239 125.1266 53.3969 41.9628 175.9452 99 V 3.8838 8.1899 121.0580 61.0103 32.2263 176.1683 100 K 3.9047 8.6170 124.8085 56.4568 32.9550 175.8580 101 L 4.4076 8.6127 125.8388 53.8201 44.7451 173.4870 102 G 2.6656 7.3845 110.3812 43.9049 0.0000 174.7907 103 A 4.5049 8.3123 128.3322 50.2500 20.0494 177.4118 104 L 4.0090 8.0253 120.3871 55.1258 42.4646 177.4030 105 G 3.5795 8.1861 106.4695 44.7681 0.0000 173.5011 106 G 3.7594 8.3903 104.4547 45.0953 0.0000 172.4966 107 N 4.8191 8.7026 116.6367 51.4525 39.4818 175.3864 108 T 4.3076 8.4389 115.0548 62.0457 69.7260 173.6342 109 Q 4.6502 9.1728 123.9016 54.0572 32.2308 173.9039 110 E 5.2880 8.9258 124.3912 54.5140 32.4555 175.0570 111 V 4.4616 9.0888 124.6726 61.4765 35.4347 173.8710 112 T 4.8387 8.3192 123.0716 61.6493 71.0633 173.5383 113 L 4.6596 8.4163 126.9373 53.9602 42.7911 177.3275 114 Q 4.1149 9.6162 122.6375 54.9426 29.3762 174.3384 115 P 4.2706 0.0000 0.0000 64.2625 31.6349 176.9533 116 G 3.6564 8.6176 110.3887 45.5560 0.0000 172.2399 117 E 4.3364 8.0163 121.2211 54.6493 30.4415 174.7204 118 Y 4.9710 8.3885 123.4871 56.2279 41.9825 174.7489 119 I 5.0007 8.5373 122.2854 61.0556 38.4238 176.3524 120 T 4.6575 8.9716 116.3816 61.5959 70.4503 174.0554 121 K 4.7932 7.8118 121.9378 55.6033 35.9541 174.0956 122 V 4.8880 8.6906 125.2508 61.3394 34.7766 174.3376 123 F 5.6819 9.4459 127.3868 56.9991 41.0486 175.2819 124 V 5.1081 8.6929 120.6013 60.3097 35.0996 173.5869 125 A 5.4980 9.0020 125.0304 49.1387 22.5922 174.8531 126 F 5.2677 8.8335 119.5593 55.9506 43.5077 174.1578 127 Q 4.3458 9.2276 121.4044 55.3737 28.8316 174.0744 128 A 4.0320 9.0011 134.3398 52.8734 17.8909 177.9088 129 F 5.3319 7.6155 111.5476 54.9860 43.2291 174.0395 130 L 3.2885 8.7611 124.4364 55.6547 42.4664 177.5152 131 R 4.3270 9.2095 125.3586 57.7800 32.2062 176.5588 132 G 4.7004 7.6121 103.4317 45.3296 0.0000 171.8573 133 M 5.3414 9.5315 121.7544 53.8697 36.0079 173.6837 134 V 4.8241 9.1890 126.7381 61.3428 34.3949 174.0029 135 M 5.1942 8.9268 127.4086 53.8835 34.9585 174.0799 136 Y 4.9516 8.8637 122.0844 56.6271 40.6627 175.9370 137 T 4.9447 8.1067 114.2464 60.4132 71.3538 174.3226 138 S 4.7214 8.4602 115.6007 58.6476 62.1011 174.3805 139 K 4.5425 7.9261 120.5019 56.7326 32.3008 175.9572 140 D 4.6179 8.1075 114.9924 55.4557 38.7992 173.9319 141 R 4.6058 7.1014 115.8882 54.9892 32.5724 175.3902 142 Y 4.7466 7.5677 117.9154 55.0927 41.4407 174.5879 143 F 4.8026 8.8948 120.1661 55.9949 42.1962 173.5963 144 Y 5.0127 8.4040 125.5885 55.9973 40.8598 174.0552 145 F 5.1197 9.1803 125.8696 56.6067 42.2277 177.0816 146 G 4.0296 9.0550 109.8585 45.7605 0.0000 172.7644 147 K 5.5718 8.3588 119.4431 54.4733 35.5678 177.5418 148 L 4.3595 8.7192 123.0022 53.9846 39.8568 175.3080 149 D 4.9375 7.6410 121.6106 52.0252 43.7256 177.9797 150 G 3.9038 8.4660 108.0608 47.0708 0.0000 175.5907 151 Q 4.5978 9.0251 126.7040 54.1757 30.1901 174.3740 152 I 4.5464 8.3055 125.1009 60.7838 38.9246 175.6851 153 S 4.5819 8.7732 119.6553 57.1833 67.6722 173.0536 154 S 5.3559 8.5586 118.9178 57.1544 64.4944 173.2171 155 A 4.9042 8.9777 127.4916 50.4780 20.9542 175.1916 156 Y 4.1390 7.4509 118.8552 54.7674 41.0586 172.9799 157 P 3.7614 0.0000 0.0000 62.0279 32.0213 177.4098 158 S 4.4133 8.4470 116.8341 60.6733 63.4354 174.6439 159 Q 4.5931 7.6422 117.6577 53.8262 32.4101 174.5276 160 E 4.2527 8.6015 120.8417 57.2298 30.2639 177.4910 161 G 4.0991 8.9274 109.8062 45.2215 0.0000 173.4543 162 Q 4.4561 6.9082 117.4125 54.9886 30.2864 175.6138 163 V 4.9814 9.1083 113.9946 59.2687 36.7542 174.5399 164 L 3.8100 9.0791 125.4276 56.3682 41.9256 177.2191 165 V 4.3481 9.3968 119.3756 60.4275 33.3562 175.3996 166 G 4.0368 7.2330 107.6861 47.5011 0.0000 171.5467 167 I 4.8596 7.3497 118.6671 60.2466 42.0098 173.9388 168 Y 4.2142 7.0093 121.9979 55.9653 41.6818 173.6728 169 G 3.2849 5.3800 105.5190 45.2303 0.0000 171.6691 170 Q 5.4939 7.9007 120.4031 54.7556 33.7559 174.1283 171 Y 5.4610 8.6761 118.0882 56.4034 41.5893 173.6789 172 Q 4.6968 9.0846 119.7257 53.9202 32.5759 176.0323 173 L 4.0575 8.9119 118.7591 58.5621 41.6595 179.1618 174 L 3.9452 8.0488 116.8180 56.0018 42.2106 176.8722 175 G 3.8902 6.9070 103.3628 45.7515 0.0000 171.1613 176 I 4.5820 7.4850 120.1362 61.6649 37.8218 177.2972 177 K 4.6904 9.7288 125.6713 57.6098 34.4111 176.2582 178 S 4.8412 8.0290 112.2815 57.3896 66.4699 173.2115 179 I 4.7136 9.2994 120.5752 59.7322 41.8146 173.8392 180 G 3.9057 8.1582 113.7058 43.5041 0.0000 171.2200 181 F 5.0655 8.4560 117.8258 55.2635 43.0628 174.2892 182 E 4.6291 8.6390 121.2952 54.5262 31.5581 175.1364 183 W 5.3390 8.2622 124.1666 55.2856 32.1061 174.4765 184 N 4.4373 8.3106 119.7764 53.2338 42.8034 173.0241 185 Y 4.4484 9.0258 119.6030 57.6679 38.3770 175.0229 186 P 4.1475 0.0000 0.0000 65.5902 31.9841 177.6822 187 L 3.4489 7.5836 116.4186 55.0205 40.9261 173.8037 *192 T 4.0393 8.0933 107.6216 62.6180 67.7196 173.6605 193 E 4.4157 7.6799 122.6812 54.1529 31.3506 173.8802 194 P 4.6128 0.0000 0.0000 60.8955 32.6211 174.5328 195 P 4.4168 0.0000 0.0000 63.1326 31.1794 176.7392 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 54 K 8.17 4.31 0.00 1.70 0.77 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.32 7.81 55 M 8.62 4.46 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 56 Y 8.71 4.50 0.00 3.23 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 57 G 8.52 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 0.00 0.00 0.00 58 P 0.00 4.02 0.00 2.07 2.11 0.00 3.41 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 59 G 7.75 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 0.00 0.00 0.00 60 G 9.11 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 61 G 8.76 3.66 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 0.00 0.00 0.00 62 K 7.66 4.17 0.00 1.34 1.78 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.47 7.81 63 Y 8.73 4.97 0.00 2.95 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 64 F 8.14 5.17 0.00 3.08 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 65 S 8.50 5.11 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 66 T 8.56 4.54 4.37 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 1.29 0.00 0.00 67 T 8.48 4.08 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 68 E 8.75 3.97 0.00 1.68 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 2.06 2.14 0.00 69 D 8.53 4.93 0.00 2.95 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 70 Y 7.71 4.09 0.00 3.17 3.09 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 71 D 8.59 4.84 0.00 2.73 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 72 H 8.04 4.91 0.00 3.17 3.24 0.00 5.69 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 73 E 8.69 4.48 0.00 1.97 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 2.55 2.44 0.00 74 I 8.27 4.58 1.92 0.00 0.00 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 1.48 0.36 0.89 0.00 0.00 75 T 8.84 4.35 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 1.22 0.00 0.00 76 G 7.37 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 0.00 0.00 0.00 77 L 8.52 5.29 0.00 1.52 1.50 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 78 R 9.52 4.96 0.00 1.51 1.59 0.00 2.21 0.00 0.00 2.47 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.36 0.00 79 V 8.27 4.64 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 0.00 0.00 0.85 0.00 0.00 0.05 0.00 0.00 80 S 8.36 4.99 0.00 3.99 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 81 V 8.45 4.54 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 0.92 0.00 0.00 0.99 0.00 0.00 82 G 8.73 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 83 L 8.17 3.66 0.00 1.88 1.84 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.89 4.64 0.00 1.56 1.64 0.94 0.71 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 85 L 7.49 4.81 0.00 1.56 1.41 0.54 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 86 V 9.02 3.93 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 0.92 0.00 0.00 0.99 0.00 0.00 87 K 9.28 4.21 0.00 1.66 1.85 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.44 7.81 88 S 7.53 4.82 0.00 3.68 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 89 V 8.04 4.74 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 0.66 0.00 0.00 0.83 0.00 0.00 90 Q 8.89 4.76 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.68 2.62 0.00 91 V 8.62 4.68 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 0.69 0.00 0.00 0.93 0.00 0.00 92 K 8.06 4.19 0.00 0.79 0.83 0.00 0.61 0.00 0.00 0.97 0.00 0.00 2.56 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.66 0.21 7.81 93 L 7.84 5.36 0.00 1.53 1.53 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.62 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 95 D 9.12 4.81 0.00 2.63 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 96 S 7.50 4.79 0.00 3.79 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 97 W 8.73 4.51 0.00 3.16 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 98 D 9.32 4.83 0.00 2.64 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.19 3.88 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 0.73 0.00 0.00 0.92 0.00 0.00 100 K 8.62 3.90 0.00 1.62 1.66 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 1.29 7.81 101 L 8.61 4.41 0.00 1.56 0.83 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 102 G 7.38 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 0.00 0.00 0.00 103 A 8.31 4.50 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 0.00 104 L 8.03 4.01 0.00 1.60 1.56 0.90 0.95 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 0.00 105 G 8.19 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 0.00 106 G 8.39 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 0.00 0.00 0.00 107 N 8.70 4.82 0.00 2.58 2.75 0.00 0.00 7.20 7.09 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 0.00 108 T 8.44 4.31 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 1.09 0.00 0.00 109 Q 9.17 4.65 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 110 E 8.93 5.29 0.00 1.90 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 0.00 2.32 2.59 0.00 111 V 9.09 4.46 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 -0.51 0.00 0.00 0.83 0.00 0.00 112 T 8.32 4.84 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 1.24 0.00 0.00 113 L 8.42 4.66 0.00 1.61 1.56 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 9.62 4.11 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 115 P 0.00 4.27 0.00 2.01 1.98 0.00 3.72 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 2.06 0.00 116 G 8.62 3.66 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 0.00 0.00 0.00 117 E 8.02 4.34 0.00 1.84 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 0.00 2.28 2.27 0.00 118 Y 8.39 4.97 0.00 3.02 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 0.00 119 I 8.54 5.00 2.10 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.83 1.17 0.00 0.00 120 T 8.97 4.66 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 1.28 0.00 0.00 121 K 7.81 4.79 0.00 1.71 1.56 0.00 1.06 0.00 0.00 1.14 0.00 0.00 2.81 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.26 1.54 7.81 122 V 8.69 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 0.98 0.00 0.00 0.74 0.00 0.00 123 F 9.45 5.68 0.00 2.94 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 0.00 124 V 8.69 5.11 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.24 0.00 0.00 125 A 9.00 5.50 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 0.00 126 F 8.83 5.27 0.00 3.07 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 0.00 127 Q 9.23 4.35 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.89 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 128 A 9.00 4.03 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 0.00 129 F 7.62 5.33 0.00 3.08 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 0.00 130 L 8.76 3.29 0.00 1.25 1.45 0.25 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 131 R 9.21 4.33 0.00 1.87 2.22 0.00 3.41 0.00 0.00 3.44 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 132 G 7.61 4.70 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 0.00 0.00 0.00 133 M 9.53 5.34 0.00 2.35 2.03 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.76 0.00 134 V 9.19 4.82 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 0.12 0.00 0.00 0.42 0.00 0.00 135 M 8.93 5.19 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.66 0.00 136 Y 8.86 4.95 0.00 2.76 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 0.00 137 T 8.11 4.94 4.43 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 1.10 0.00 0.00 138 S 8.46 4.72 0.00 4.10 4.11 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 0.00 139 K 7.93 4.54 0.00 2.03 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.38 7.81 140 D 8.11 4.62 0.00 2.78 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 0.00 141 R 7.10 4.61 0.00 1.43 1.31 0.00 3.11 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.01 0.00 142 Y 7.57 4.75 0.00 2.23 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 0.00 143 F 8.89 4.80 0.00 2.93 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 0.00 144 Y 8.40 5.01 0.00 3.06 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 F 9.18 5.12 0.00 3.11 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 0.00 146 G 9.06 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 0.00 147 K 8.36 5.57 0.00 1.98 1.79 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.45 7.81 148 L 8.72 4.36 0.00 1.64 1.67 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 149 D 7.64 4.94 0.00 2.73 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 0.00 150 G 8.47 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 0.00 0.00 0.00 151 Q 9.03 4.60 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 152 I 8.31 4.55 1.75 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 1.24 0.35 0.60 0.00 0.00 153 S 8.77 4.58 0.00 3.25 3.13 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 0.00 154 S 8.56 5.36 0.00 3.99 4.15 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 0.00 0.00 0.00 0.00 155 A 8.98 4.90 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 0.00 156 Y 7.45 4.14 0.00 2.56 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 0.00 157 P 0.00 3.76 0.00 2.00 1.75 0.00 3.24 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.31 0.00 158 S 8.45 4.41 0.00 3.89 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 0.00 159 Q 7.64 4.59 0.00 2.25 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 160 E 8.60 4.25 0.00 1.95 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 2.27 2.23 0.00 161 G 8.93 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 0.00 162 Q 6.91 4.46 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.63 0.00 0.00 0.00 0.00 0.00 1.16 2.03 0.00 163 V 9.11 4.98 2.33 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 0.54 0.00 0.00 1.02 0.00 0.00 164 L 9.08 3.81 0.00 1.71 1.73 0.64 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 165 V 9.40 4.35 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 0.86 0.00 0.00 0.98 0.00 0.00 166 G 7.23 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 0.00 167 I 7.35 4.86 1.82 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 1.32 0.47 0.56 0.00 0.00 168 Y 7.01 4.21 0.00 2.59 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 0.00 169 G 5.38 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 0.00 0.00 0.00 170 Q 7.90 5.49 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.61 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 171 Y 8.68 5.46 0.00 3.26 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 0.00 172 Q 9.08 4.70 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 173 L 8.91 4.06 0.00 1.67 1.77 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 174 L 8.05 3.95 0.00 1.19 0.62 0.83 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 175 G 6.91 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 0.00 0.00 0.00 176 I 7.49 4.58 2.03 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 1.25 0.95 1.38 0.00 0.00 177 K 9.73 4.69 0.00 1.84 1.83 0.00 1.33 0.00 0.00 1.34 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.75 7.81 178 S 8.03 4.84 0.00 3.81 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 I 9.30 4.71 2.11 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 0.36 1.19 1.32 0.00 0.00 180 G 8.16 3.91 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 0.00 0.00 0.00 181 F 8.46 5.07 0.00 2.73 2.23 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 0.00 182 E 8.64 4.63 0.00 1.89 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 2.26 2.38 0.00 183 W 8.26 5.34 0.00 3.17 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 0.00 184 N 8.31 4.44 0.00 2.78 2.72 0.00 0.00 7.31 7.41 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 0.00 185 Y 9.03 4.45 0.00 2.93 2.85 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 0.00 186 P 0.00 4.15 0.00 2.02 2.00 0.00 3.90 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.29 0.00 187 L 7.58 3.45 0.00 1.91 1.80 1.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 *192 T 8.09 4.04 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 1.15 0.00 0.00 193 E 7.68 4.42 0.00 1.95 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 0.00 2.22 2.31 0.00 194 P 0.00 4.61 0.00 2.08 1.97 0.00 3.73 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 2.02 2.09 0.00 195 P 0.00 4.42 0.00 2.03 1.96 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.