NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 D 4.5709 8.3493 120.1892 52.9600 41.2645 174.5331 0 P 4.1485 0.0000 0.0000 62.5235 31.8853 171.9756 1 E 4.6097 9.3883 124.5368 54.4921 32.0309 176.0976 2 L 4.6721 8.4495 126.8488 54.8126 41.9736 177.4196 3 C 4.5144 9.1258 121.1088 56.4284 40.9739 174.8946 4 D 4.3828 8.6683 124.8275 56.6191 40.5886 175.9045 5 D 5.1710 7.4141 113.4891 52.0640 44.2487 175.0476 6 D 4.7863 8.4302 119.7668 53.1401 41.6727 175.0998 7 P 2.9700 0.0000 0.0000 60.9124 31.6721 174.7656 8 P 4.1895 0.0000 0.0000 63.0401 31.8174 175.4500 9 E 4.6275 8.6139 119.3589 54.8237 31.0951 175.2938 10 I 4.2904 8.2685 124.0951 58.4619 38.7628 173.1319 11 P 4.0611 0.0000 0.0000 64.6788 31.6642 175.8544 12 H 3.8032 8.8409 117.5512 56.0949 26.1182 173.5870 13 A 5.3128 8.0756 120.3342 50.3940 21.9512 176.1508 14 T 4.7182 8.5447 113.8956 60.0914 71.0114 172.7407 15 F 5.2507 7.7329 118.7334 55.0070 41.0951 173.9249 16 K 4.7159 9.2239 120.8443 54.8433 35.8536 174.7375 17 A 4.8410 8.4111 127.5690 51.0930 19.8865 177.3430 18 M 4.0134 8.7131 119.4527 57.0125 32.7249 175.9937 19 A 4.4049 6.8950 117.2540 51.4291 22.1086 174.8841 20 Y 5.0192 9.0791 117.4863 56.2119 40.5038 176.4755 21 K 4.3789 8.8521 123.2351 55.3200 34.0679 175.2961 22 E 4.0644 8.8591 121.5167 60.5656 28.5915 176.1330 23 G 3.7691 8.3412 113.2770 45.4488 0.0000 173.0272 24 T 4.4491 8.3168 111.9099 62.3027 70.2319 173.2770 25 M 5.4294 9.1539 122.9270 53.5375 35.7664 174.4727 26 L 4.7131 8.7601 124.4358 52.8281 44.6320 175.3754 27 N 4.7575 8.6570 124.8115 53.4736 38.9092 175.7247 28 C 4.3691 8.6530 124.0540 56.0886 37.7992 173.4001 29 E 4.3307 8.1965 119.6963 56.3456 30.6097 175.8394 30 C 5.2000 8.3050 119.1598 54.5644 43.3142 173.7454 31 K 4.2363 8.1859 122.5160 55.5438 32.8084 175.9445 32 R 4.0098 8.3259 120.9004 57.4011 30.4454 176.0957 33 G 3.8769 9.2913 110.6787 45.8907 0.0000 172.5926 34 F 4.9676 8.0116 116.6276 55.7436 42.9282 174.4451 35 R 4.8182 8.5869 120.3681 54.1007 32.5640 175.4963 36 R 4.5907 8.3901 115.8486 55.3949 30.8693 176.0969 37 I 3.6153 8.9176 121.7485 61.3674 38.9806 174.9482 38 K 3.8148 8.8252 128.8522 58.4370 32.2045 175.5920 39 S 3.6924 8.7099 118.9333 59.1344 60.8610 171.7005 40 G 3.9492 7.8964 106.3066 43.1329 0.0000 174.6550 41 S 4.0130 8.2478 115.8840 58.6670 63.4542 174.2346 42 L 4.4857 7.8299 120.1684 56.3612 43.2405 175.7732 43 Y 5.1401 6.8092 113.8669 56.1886 40.8180 174.2409 44 M 4.6767 9.1327 120.5333 54.3456 34.5740 175.0417 45 L 5.3460 8.5625 122.5673 53.4627 45.8961 175.6577 46 C 3.9562 8.9518 126.9841 56.6945 38.5445 173.6047 47 T 4.1153 8.7425 121.7529 64.7505 71.5600 174.6055 *53 S 4.3643 7.9512 114.6937 58.7071 64.0646 172.5072 54 S 4.3572 7.7910 116.1984 57.1283 65.6198 173.9493 55 W 4.4431 8.5282 122.1159 57.0421 29.1476 175.0248 56 D 4.6988 8.9696 120.4403 56.3950 41.1342 177.7395 57 N 4.7959 7.9722 116.0226 52.7106 40.6169 173.7546 58 Q 4.3246 8.1201 117.7592 54.2486 31.3339 176.7273 59 C 4.0237 8.0913 120.3172 56.8318 39.2276 172.9548 60 Q 4.3606 7.4178 116.9879 55.8217 31.9369 172.9895 61 C 5.3726 9.1406 124.4952 55.8951 37.4244 173.9931 62 T 4.5939 8.5202 122.0294 62.6849 71.1348 173.9480 63 S 4.4548 8.3593 117.3377 56.5950 65.2331 174.9405 64 S 4.2086 7.4894 114.9025 58.7746 61.9487 173.5455 *104 C 4.4774 8.0473 114.5543 56.5549 41.1165 173.5696 105 R 4.9893 8.4680 120.7124 54.0687 31.9226 175.3969 106 E 4.2404 9.1142 120.4342 55.9471 29.2941 175.0393 107 P 4.3923 0.0000 0.0000 61.6623 31.8295 174.6855 108 P 4.3459 0.0000 0.0000 62.1556 31.7364 174.2411 109 P 4.2459 0.0000 0.0000 62.3975 32.1982 174.8740 110 W 4.9873 7.0828 113.9551 56.0184 30.1837 174.2416 111 E 4.0768 9.0076 116.4246 56.4682 28.2718 176.0941 112 N 3.6411 6.5821 114.9647 52.2960 39.4229 173.4821 113 E 4.4979 8.1430 118.2233 55.0967 31.7946 177.0705 114 A 4.4991 8.0880 129.9399 50.3184 17.7390 175.0919 115 T 4.6559 6.9610 116.3427 62.7579 76.4400 174.4771 116 E 5.0094 6.0449 117.6837 55.5449 35.3071 174.9525 117 R 4.4327 7.9605 117.2899 54.5201 32.4683 175.3947 118 I 4.1511 8.1060 123.5543 60.9275 37.9918 174.6247 119 Y 4.8555 8.4736 124.6214 56.6471 40.5658 175.4076 120 H 4.6443 8.7128 117.6449 54.3363 32.1629 173.3900 121 F 5.4721 8.6400 122.1453 56.6679 41.6454 175.2418 122 V 4.9381 8.3089 112.4812 59.2474 34.9469 176.1250 123 V 3.7283 8.0692 116.5416 63.3407 31.8842 176.4419 124 G 3.9890 8.9537 111.8492 45.4245 0.0000 174.1775 125 Q 4.1628 7.9413 121.2390 56.2589 30.2589 174.7410 126 M 5.8511 8.3085 123.9225 52.9441 35.3288 174.6695 127 V 4.4665 8.0696 117.3221 59.6617 35.8404 173.8185 128 Y 5.0127 9.3192 120.9053 56.5515 40.8136 174.5024 129 Y 5.6280 9.3139 121.2359 55.9788 40.7335 175.2747 130 Q 4.7581 8.3961 118.7576 54.9619 32.0013 174.6216 131 C 4.8723 8.8909 119.3241 57.4679 40.8521 174.1542 132 V 4.1505 8.3354 115.3461 60.4934 33.7384 174.8693 133 Q 4.2521 8.5295 119.8713 57.4535 28.8608 176.5209 134 G 3.9696 9.5072 110.1781 45.4515 0.0000 172.8994 135 Y 4.8668 7.5579 114.8501 56.0660 42.0592 174.4308 136 R 4.8087 8.0755 121.3145 54.0262 34.1372 174.4104 137 A 4.1641 8.6333 125.5449 52.4604 18.1487 177.2396 138 L 4.1316 9.8379 126.1911 58.5888 42.7205 176.7395 139 H 5.0997 8.2164 117.4203 53.6197 33.4474 172.8862 140 R 4.8957 7.9919 122.7073 55.4246 29.6777 174.6121 141 G 3.9268 7.4664 105.9287 44.9737 0.0000 171.8567 142 P 4.3147 0.0000 0.0000 62.5841 32.1410 176.4306 143 A 5.0339 8.8656 125.2334 51.5793 19.9143 175.0431 144 E 5.2698 8.2548 115.4159 56.3865 33.5197 174.4883 145 S 4.7679 8.7920 113.5788 56.7075 66.5661 172.5268 146 V 4.8502 9.0435 126.2222 61.1540 34.4846 173.6111 147 C 3.8238 8.2989 128.4782 55.6472 42.1605 172.1021 148 K 4.6574 8.9346 128.4250 54.9013 34.7979 174.8569 149 M 4.8663 8.5140 124.0695 52.8475 31.6508 173.4652 150 T 4.0434 8.0385 111.7368 62.4683 70.2729 176.2787 151 H 3.8075 9.5651 116.9242 56.2201 26.5653 174.6284 152 G 3.7814 8.5831 116.7678 44.9500 0.0000 172.9783 153 K 4.0768 8.8615 117.1651 56.7583 33.6509 175.7765 154 T 4.8024 7.9989 110.8053 60.6816 70.9862 173.9033 155 R 4.7095 9.2195 119.2675 55.1103 33.1182 173.9128 156 W 5.0933 8.7107 120.4771 55.5853 30.9392 176.2396 157 T 4.1429 8.4724 113.6942 61.4944 69.2674 174.2261 158 Q 4.0873 8.6589 126.4318 54.9148 29.0552 173.7601 159 P 4.4565 0.0000 0.0000 62.2337 32.5685 175.9612 160 Q 4.6998 9.1414 118.6402 55.3028 28.6025 174.9701 161 L 4.8632 7.6552 119.9644 53.5173 44.4551 176.1673 162 I 4.5830 8.3530 125.2873 59.8947 41.0604 173.5153 163 C 6.0421 8.8751 124.8210 54.9867 40.0382 173.9105 164 T 4.5582 8.5407 120.9359 61.7239 70.5939 175.7672 165 G 3.7508 8.8170 111.0671 46.3050 0.0000 173.4259 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 D 8.35 4.57 0.00 2.65 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 0 P 0.00 4.15 0.00 2.20 2.31 0.00 3.79 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.18 0.00 1 E 9.39 4.61 0.00 2.08 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 2.27 2.36 0.00 2 L 8.45 4.67 0.00 1.57 1.60 0.84 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 3 C 9.13 4.51 0.00 3.23 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 4 D 8.67 4.38 0.00 2.74 2.78 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 0.00 0.00 0.00 5 D 7.41 5.17 0.00 2.89 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 6 D 8.43 4.79 0.00 2.72 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 2.97 0.00 0.49 0.49 0.00 3.47 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 0.53 0.44 0.00 8 P 0.00 4.19 0.00 1.92 1.98 0.00 3.48 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 9 E 8.61 4.63 0.00 2.13 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 2.22 2.32 0.00 10 I 8.27 4.29 1.91 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.32 0.90 0.00 0.00 11 P 0.00 4.06 0.00 2.00 1.93 0.00 3.76 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 2.01 2.10 0.00 12 H 8.84 3.80 0.00 3.01 2.46 0.00 5.55 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.08 5.31 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 14 T 8.54 4.72 4.18 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 1.21 0.00 0.00 15 F 7.73 5.25 0.00 2.16 1.68 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 16 K 9.22 4.72 0.00 1.71 1.61 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.37 7.81 17 A 8.41 4.84 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 M 8.71 4.01 0.00 1.92 2.13 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 19 A 6.90 4.40 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 9.08 5.02 0.00 3.04 3.16 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 0.00 0.00 0.00 0.00 21 K 8.85 4.38 0.00 1.76 1.75 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.55 7.81 22 E 8.86 4.06 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 2.27 2.39 0.00 23 G 8.34 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 24 T 8.32 4.45 4.85 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 1.68 0.00 0.00 25 M 9.15 5.43 0.00 1.52 1.82 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.16 0.00 26 L 8.76 4.71 0.00 1.15 1.17 -0.03 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.66 4.76 0.00 2.69 2.93 0.00 0.00 7.11 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.65 4.37 0.00 2.77 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 29 E 8.20 4.33 0.00 1.99 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 2.53 2.44 0.00 30 C 8.31 5.20 0.00 3.18 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 31 K 8.19 4.24 0.00 1.87 1.62 0.00 1.64 0.00 0.00 1.92 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.39 7.81 32 R 8.33 4.01 0.00 1.84 1.88 0.00 3.45 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 33 G 9.29 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 34 F 8.01 4.97 0.00 3.07 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 35 R 8.59 4.82 0.00 1.84 2.05 0.00 2.75 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 36 R 8.39 4.59 0.00 1.78 1.95 0.00 3.12 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 37 I 8.92 3.62 1.91 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 1.09 1.17 0.87 0.00 0.00 38 K 8.83 3.81 0.00 1.74 1.73 0.00 1.97 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.45 7.81 39 S 8.71 3.69 0.00 3.99 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.90 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 41 S 8.25 4.01 0.00 3.73 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 42 L 7.83 4.49 0.00 1.26 1.73 0.91 0.64 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 43 Y 6.81 5.14 0.00 2.89 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 44 M 9.13 4.68 0.00 2.11 1.89 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.47 0.00 45 L 8.56 5.35 0.00 2.00 1.63 0.95 0.89 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 46 C 8.95 3.96 0.00 1.29 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 47 T 8.74 4.12 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 1.19 0.00 0.00 *53 S 7.95 4.36 0.00 3.83 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 54 S 7.79 4.36 0.00 3.79 3.68 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 55 W 8.53 4.44 0.00 3.29 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 56 D 8.97 4.70 0.00 2.99 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 57 N 7.97 4.80 0.00 2.75 2.66 0.00 0.00 6.66 7.69 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 58 Q 8.12 4.32 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.05 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 59 C 8.09 4.02 0.00 1.23 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 7.42 4.36 0.00 2.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 61 C 9.14 5.37 0.00 2.98 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 62 T 8.52 4.59 4.28 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 1.25 0.00 0.00 63 S 8.36 4.45 0.00 3.54 3.16 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 0.00 0.00 0.00 0.00 64 S 7.49 4.21 0.00 3.71 3.71 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 *104 C 8.05 4.48 0.00 3.06 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 0.00 105 R 8.47 4.99 0.00 1.98 2.06 0.00 3.49 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 106 E 9.11 4.24 0.00 2.16 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 0.00 2.41 2.47 0.00 107 P 0.00 4.39 0.00 1.73 0.59 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.44 0.00 108 P 0.00 4.35 0.00 2.23 2.13 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 109 P 0.00 4.25 0.00 1.94 1.77 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 110 W 7.08 4.99 0.00 3.23 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 E 9.01 4.08 0.00 1.88 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 1.79 1.97 0.00 112 N 6.58 3.64 0.00 2.12 2.29 0.00 0.00 6.98 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.14 4.50 0.00 1.89 1.85 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 2.23 2.25 0.00 114 A 8.09 4.50 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 0.00 115 T 6.96 4.66 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 1.19 0.00 0.00 116 E 6.04 5.01 0.00 2.03 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 2.08 2.05 0.00 117 R 7.96 4.43 0.00 1.84 1.36 0.00 3.23 0.00 0.00 3.01 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.50 0.00 118 I 8.11 4.15 1.82 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 1.33 0.58 0.87 0.00 0.00 119 Y 8.47 4.86 0.00 2.43 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 0.00 0.00 0.00 0.00 120 H 8.71 4.64 0.00 2.98 3.13 0.00 5.60 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 8.64 5.47 0.00 3.53 3.16 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 0.00 0.00 0.00 0.00 122 V 8.31 4.94 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.01 0.00 0.00 123 V 8.07 3.73 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 0.60 0.00 0.00 0.85 0.00 0.00 124 G 8.95 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 0.00 125 Q 7.94 4.16 0.00 2.34 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.70 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 126 M 8.31 5.85 0.00 1.87 1.74 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.51 0.00 127 V 8.07 4.47 1.69 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 0.05 0.00 0.00 -0.05 0.00 0.00 128 Y 9.32 5.01 0.00 2.88 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 0.00 129 Y 9.31 5.63 0.00 2.99 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 0.00 130 Q 8.40 4.76 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.04 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 131 C 8.89 4.87 0.00 2.96 3.18 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 0.00 132 V 8.34 4.15 2.13 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 0.90 0.00 0.00 1.07 0.00 0.00 133 Q 8.53 4.25 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.92 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 134 G 9.51 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 0.00 0.00 0.00 135 Y 7.56 4.87 0.00 2.94 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 0.00 136 R 8.08 4.81 0.00 2.04 1.74 0.00 3.16 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 137 A 8.63 4.16 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 0.00 138 L 9.84 4.13 0.00 1.53 1.83 0.94 0.96 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 0.00 139 H 8.22 5.10 0.00 3.24 3.09 0.00 5.86 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.99 4.90 0.00 1.78 1.77 0.00 3.32 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 141 G 7.47 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 0.00 142 P 0.00 4.31 0.00 2.09 2.23 0.00 3.61 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 143 A 8.87 5.03 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 0.00 144 E 8.25 5.27 0.00 1.57 1.72 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 2.04 2.01 0.00 145 S 8.79 4.77 0.00 4.04 3.71 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 0.00 146 V 9.04 4.85 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 0.85 0.00 0.00 0.88 0.00 0.00 147 C 8.30 3.82 0.00 1.23 1.47 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 0.00 148 K 8.93 4.66 0.00 1.74 1.53 0.00 1.41 0.00 0.00 1.49 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.32 7.81 149 M 8.51 4.87 0.00 1.91 1.84 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 150 T 8.04 4.04 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 151 H 9.57 3.81 0.00 3.24 3.45 0.00 5.71 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 0.00 152 G 8.58 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 153 K 8.86 4.08 0.00 1.88 1.75 0.00 1.54 0.00 0.00 1.87 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.54 1.50 7.81 154 T 8.00 4.80 4.07 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 1.15 0.00 0.00 155 R 9.22 4.71 0.00 1.80 2.01 0.00 2.76 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 156 W 8.71 5.09 0.00 3.18 3.16 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 0.00 0.00 0.00 0.00 157 T 8.47 4.14 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 1.26 0.00 0.00 158 Q 8.66 4.09 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.07 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 159 P 0.00 4.46 0.00 1.56 1.78 0.00 3.63 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.16 0.00 160 Q 9.14 4.70 0.00 1.66 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 161 L 7.66 4.86 0.00 1.52 1.38 0.94 1.05 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 0.00 162 I 8.35 4.58 1.92 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 1.24 0.84 0.94 0.00 0.00 163 C 8.88 6.04 0.00 2.84 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 0.00 164 T 8.54 4.56 4.28 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 1.25 0.00 0.00 165 G 8.82 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.