NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4972 8.1927 116.8038 58.2809 64.2648 174.2702 3 Q 3.8732 8.6447 127.0723 57.9166 28.8579 176.4006 4 S 4.0637 8.8497 115.4230 61.4581 62.9569 175.0515 5 N 4.3917 8.2668 118.6617 56.4381 38.3481 176.9689 6 R 3.9028 7.7135 119.1174 59.5680 30.1437 178.2036 7 E 3.8811 7.9601 118.4897 59.0770 29.6054 178.5114 8 L 3.8011 7.8183 119.1062 57.8247 41.6125 179.5617 9 V 3.8717 7.8088 117.8563 66.2296 31.4247 178.1394 10 V 2.9729 7.6620 117.6849 65.7420 31.3193 177.3593 11 D 4.1810 8.3798 118.0470 57.3103 41.2036 177.7618 12 F 3.8335 8.7287 121.3815 61.5557 39.3612 177.1806 13 L 4.2097 8.4114 118.6315 57.6797 41.4212 179.4795 14 S 4.3356 8.3115 115.4831 61.8941 62.7919 175.9596 15 Y 3.9143 7.9045 122.0083 60.5971 38.3877 178.3666 16 K 3.6828 7.7881 119.9081 59.3101 32.3601 178.5840 17 L 4.1199 8.3593 119.6768 58.1227 41.7490 179.2795 18 S 4.3525 8.6884 113.1076 61.8549 61.9949 176.1397 19 Q 3.8229 7.8285 120.6580 58.2832 28.7965 177.3384 20 K 4.4613 7.7600 116.2453 55.8119 32.6152 176.9577 21 G 3.8033 7.9058 107.5124 45.4581 0.0000 173.0277 22 Y 4.6873 7.3440 116.1377 55.3038 40.4242 175.7100 23 S 3.9185 8.5558 116.2322 58.3056 62.9000 173.7944 24 W 4.9162 7.5113 122.7781 56.3600 28.6341 177.2508 25 S 4.0751 7.9382 118.6060 62.3575 62.2602 176.7157 26 Q 3.7879 7.6620 117.8804 58.1436 29.0447 177.5078 27 F 5.0587 7.3175 117.7791 55.9525 40.7409 172.7509 *82 P 4.1404 0.0000 0.0000 63.3098 32.4114 176.1797 83 M 3.7934 8.6846 122.4581 59.0564 31.9651 177.9881 84 A 3.9101 8.0484 119.5519 55.5974 18.4910 179.3538 85 A 3.9790 8.1575 118.9519 54.9085 18.3994 180.0123 86 V 3.5555 7.6780 116.3612 66.1348 31.6579 177.8600 87 K 3.6260 8.1735 118.6342 59.9084 31.9874 178.9616 88 Q 3.7669 7.9013 118.5913 58.7640 28.9095 177.8735 89 A 3.9902 7.9876 122.1055 54.8505 18.4131 179.4380 90 L 3.9870 8.4220 119.3040 58.4356 41.7776 178.8519 91 R 3.5393 8.0306 118.4724 59.6351 29.8435 178.8254 92 E 4.0313 8.3717 116.6408 59.2703 29.5427 178.8823 93 A 4.2264 8.3631 122.1068 55.1840 18.4169 179.8903 94 G 3.8761 8.5665 104.1833 47.9418 0.0000 175.8526 95 D 4.4999 8.0008 120.7925 57.3778 41.0515 178.3449 96 E 4.0137 8.6740 120.2274 59.3283 29.4062 178.6686 97 F 4.0461 8.5921 120.8473 61.1138 39.4805 177.2009 98 E 3.9433 9.0961 118.7550 59.1242 29.0078 179.3928 99 L 3.9689 8.1288 118.6871 57.9464 41.9082 179.3397 100 R 4.1004 7.8021 116.6146 59.2978 30.2296 176.1934 101 Y 4.3790 7.6347 114.8399 57.0014 39.1220 177.4389 102 R 3.8711 8.2225 117.9050 56.5957 29.4638 176.8284 103 R 3.9401 7.5698 115.1985 56.7758 29.4440 175.5677 104 A 4.7687 8.2848 122.3188 50.0157 19.2889 176.0515 105 A 4.7945 8.5590 120.1716 52.2696 19.6759 177.9332 106 S 4.3718 8.2003 111.8804 60.0662 63.8031 174.7449 107 D 4.6335 8.7620 115.3147 54.1660 39.9479 178.9832 108 L 4.1533 7.8586 121.1992 58.2816 41.7340 179.0034 109 T 3.9648 8.3244 109.5001 64.8682 68.5265 176.0169 110 S 4.1160 7.4817 114.6559 61.5938 62.4452 176.0395 111 Q 4.0980 9.4495 120.2438 58.4939 28.7634 177.2422 112 L 4.1135 7.6999 120.5703 55.7041 43.8650 176.4445 113 H 4.0459 8.2879 112.5699 55.8627 27.6654 174.5381 114 I 3.7910 7.5337 120.6044 62.4722 38.7994 174.3672 115 T 4.7936 8.8075 116.2041 59.4521 71.8678 172.4293 116 P 4.5841 0.0000 0.0000 63.6137 31.4225 177.5168 117 G 3.9409 8.0938 107.0018 46.1105 0.0000 174.7576 118 T 3.9312 7.5553 117.2449 63.8961 69.2517 173.4892 119 A 4.9001 8.2560 127.5916 50.1753 22.0049 176.6284 120 Y 2.8734 8.5644 120.0835 60.9182 38.5457 178.6723 121 Q 3.7081 7.9093 119.4037 59.1461 29.1338 178.4386 122 S 4.0089 7.7377 115.7347 61.2897 62.7934 176.1109 123 F 4.0503 7.7750 122.8634 61.4514 38.9405 176.5401 124 E 3.8069 8.2808 118.9626 59.4147 29.0843 178.8282 125 Q 3.8759 7.5675 117.0588 58.7209 28.9339 178.7382 126 V 3.5663 7.5025 119.0800 66.0501 31.6995 178.3435 127 V 2.8752 7.4162 118.0838 65.6431 31.0478 177.3066 128 N 4.3789 8.3195 116.6066 56.8457 38.1860 176.9468 129 E 3.8547 7.9572 118.7244 59.1854 29.4939 179.1001 130 L 3.8338 7.3601 118.5026 56.4645 41.6907 178.3692 131 F 5.0276 7.6884 117.1030 57.0517 39.7583 177.9045 132 R 4.1767 8.0545 117.3131 58.5186 29.3908 176.8380 133 D 4.6996 8.1760 117.0038 53.7354 41.2748 176.7899 134 G 3.7326 8.2990 108.8232 44.6245 0.0000 173.5272 135 V 3.7421 7.3214 117.5228 62.0684 32.5629 175.1664 136 N 3.5786 7.2400 120.9974 50.3635 41.0863 175.4035 137 W 4.6195 8.6993 119.5208 60.0887 29.1076 178.8188 138 G 3.9014 8.5401 105.2642 48.0117 0.0000 175.4639 139 R 3.9441 7.9395 119.2065 58.4070 30.3609 178.8707 140 I 4.0358 7.8108 119.6392 64.1527 37.0685 178.2990 141 V 3.5418 8.0951 119.0470 66.2250 31.3779 178.0165 142 A 2.9664 7.8165 120.4065 54.4759 17.9549 179.4306 143 F 4.0059 8.3523 119.3916 61.5437 39.5581 177.4231 144 F 3.4245 8.2299 117.2945 60.4220 38.5381 177.6197 145 S 4.4193 8.3051 113.1730 61.2581 62.1494 175.8070 146 F 4.3164 8.6929 123.9577 61.4151 39.1675 177.0251 147 G 3.8566 8.2952 105.4794 47.9337 0.0000 175.5150 148 G 3.8272 8.3557 107.8280 47.6585 0.0000 175.5055 149 A 4.0428 8.3650 124.0803 54.7402 18.3670 179.5191 150 L 3.7723 7.7867 118.7642 58.2471 42.2194 178.9150 151 C 4.0376 8.1258 116.8326 62.7670 28.0219 176.3266 152 V 3.0999 7.7505 119.6779 65.9106 31.1144 177.9811 153 E 3.9070 8.4211 118.7277 59.3377 29.2462 179.3705 154 S 4.0561 8.0263 115.2877 61.6335 62.9166 177.0869 155 V 3.4455 7.4198 120.2307 66.1314 31.0808 177.6168 156 D 4.6731 7.7977 117.3756 57.0970 40.6255 178.1620 157 K 4.3790 7.6240 116.5878 55.1480 32.4975 176.2295 158 E 3.8115 8.4807 117.6440 58.2075 27.6218 174.3681 159 M 4.7216 8.2414 114.7617 54.7779 33.1706 177.3372 160 Q 3.9772 8.2063 118.5229 58.7596 29.3146 179.6293 161 V 3.5410 7.9280 111.0669 64.6270 31.3446 178.2317 162 L 3.8980 7.8926 118.3395 57.5660 41.4438 179.5444 163 V 3.4829 7.6323 118.6355 65.8403 31.3245 177.9040 164 S 4.4519 7.5829 112.1839 60.4227 63.1127 176.5253 165 R 3.3991 7.5560 122.1031 59.3514 29.8998 178.2930 166 I 3.0031 7.4474 119.5798 64.0850 36.9931 178.2703 167 A 4.0192 7.7631 121.1148 55.1597 18.1898 179.9701 168 S 4.0432 7.7790 113.5621 61.6163 62.9060 176.7530 169 W 4.5333 8.0063 121.7866 60.3534 28.6505 178.5508 170 M 4.6719 8.2443 118.3184 58.4032 31.3595 178.7399 171 A 4.1642 8.1396 121.1075 55.2976 18.5843 179.6303 172 T 3.8096 8.5963 114.6813 67.0901 68.4832 176.1578 173 Y 4.1991 8.7911 122.9168 60.1363 38.8427 177.1966 174 L 3.8537 8.6549 121.6736 58.7247 42.0011 178.9253 175 N 4.3817 8.5991 115.3740 55.8191 38.4652 176.4676 176 D 4.3763 7.7866 118.9021 56.7095 41.7412 177.4419 177 H 4.4120 7.8707 115.0408 56.4294 29.5358 176.6179 178 L 4.1866 7.3631 119.8814 55.9372 42.7326 177.8136 179 E 3.8784 8.3209 119.6590 59.0350 29.3004 176.9759 180 P 4.1870 0.0000 0.0000 65.6280 31.4713 178.2541 181 W 3.9963 7.9815 126.2799 60.0970 30.6337 178.1334 182 I 3.3988 7.7394 119.9422 64.4260 36.4445 178.4877 183 Q 3.8827 8.3596 119.2255 58.6087 28.2631 178.0934 184 E 3.9077 7.3850 119.2587 57.6115 29.6353 176.7976 185 N 4.5226 6.7785 114.6563 53.2395 38.8164 174.8220 186 G 4.4032 7.7170 104.2215 45.4576 0.0000 175.9245 187 G 3.9038 8.6486 110.8067 44.5042 0.0000 174.7500 188 W 4.4344 8.5423 116.9523 59.2029 28.8295 178.1363 189 D 4.4963 8.5095 119.2404 58.2048 40.2648 179.1807 190 T 4.2116 7.8301 115.6109 66.3160 68.3254 176.8161 191 F 3.2048 7.7316 122.3499 60.7890 39.4528 177.2762 192 V 3.4501 8.4500 118.2821 66.1384 31.1808 177.4667 193 D 4.3439 8.2796 117.6490 57.4544 40.7110 178.4946 194 L 4.0814 7.4998 117.6426 55.9702 42.0723 177.5638 195 Y 4.2197 7.5189 115.1051 59.1587 39.3463 176.0025 196 G 3.7551 7.6635 111.7510 45.8452 0.0000 172.9659 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 2 S 8.19 4.50 0.00 4.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 8.64 3.87 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.88 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 4 S 8.85 4.06 0.00 3.94 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 5 N 8.27 4.39 0.00 3.08 3.01 0.00 0.00 6.69 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 6 R 7.71 3.90 0.00 2.11 2.03 0.00 3.26 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 7 E 7.96 3.88 0.00 2.29 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 8 L 7.82 3.80 0.00 1.93 1.68 -0.20 0.20 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 9 V 7.81 3.87 2.28 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 1.14 0.00 0.00 1.06 0.00 0.00 10 V 7.66 2.97 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.61 0.00 0.00 11 D 8.38 4.18 0.00 2.68 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 12 F 8.73 3.83 0.00 3.07 3.35 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 13 L 8.41 4.21 0.00 1.76 1.88 0.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.31 4.34 0.00 3.99 3.87 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 15 Y 7.90 3.91 0.00 2.95 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 16 K 7.79 3.68 0.00 1.75 1.90 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.56 7.81 17 L 8.36 4.12 0.00 2.10 2.09 1.11 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.69 4.35 0.00 3.39 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 19 Q 7.83 3.82 0.00 1.64 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.12 0.00 20 K 7.76 4.46 0.00 2.06 2.00 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.63 1.69 7.81 21 G 7.91 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 22 Y 7.34 4.69 0.00 3.21 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 23 S 8.56 3.92 0.00 3.61 3.65 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 24 W 7.51 4.92 0.00 3.59 3.36 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 0.00 0.00 0.00 0.00 25 S 7.94 4.08 0.00 3.69 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 26 Q 7.66 3.79 0.00 1.14 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.79 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 27 F 7.32 5.06 0.00 3.19 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *82 P 0.00 4.14 0.00 2.20 2.02 0.00 3.66 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 2.02 2.09 0.00 83 M 8.68 3.79 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.62 0.00 84 A 8.05 3.91 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 85 A 8.16 3.98 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.68 3.56 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 0.75 0.00 0.00 1.00 0.00 0.00 87 K 8.17 3.63 0.00 1.91 1.73 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.43 7.81 88 Q 7.90 3.77 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 89 A 7.99 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 90 L 8.42 3.99 0.00 1.71 1.67 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.03 3.54 0.00 1.57 0.78 0.00 2.76 0.00 0.00 2.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.31 0.00 92 E 8.37 4.03 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 93 A 8.36 4.23 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 94 G 8.57 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 95 D 8.00 4.50 0.00 3.05 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 96 E 8.67 4.01 0.00 2.23 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 97 F 8.59 4.05 0.00 3.09 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 98 E 9.10 3.94 0.00 2.34 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 2.55 2.75 0.00 99 L 8.13 3.97 0.00 1.64 1.76 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.80 4.10 0.00 1.94 2.14 0.00 3.42 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.85 0.00 101 Y 7.63 4.38 0.00 2.52 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 0.00 102 R 8.22 3.87 0.00 2.00 2.06 0.00 3.17 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 103 R 7.57 3.94 0.00 1.86 1.81 0.00 3.12 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.74 0.00 104 A 8.28 4.77 1.60 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 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.56 4.79 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 0.00 0.00 106 S 8.20 4.37 0.00 3.89 3.61 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 0.00 107 D 8.76 4.63 0.00 2.97 2.89 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 0.00 108 L 7.86 4.15 0.00 2.06 1.77 0.86 0.23 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 0.00 109 T 8.32 3.96 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 1.01 0.00 0.00 110 S 7.48 4.12 0.00 4.26 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 0.00 111 Q 9.45 4.10 0.00 2.63 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.64 0.00 0.00 0.00 0.00 0.00 2.40 2.74 0.00 112 L 7.70 4.11 0.00 1.93 1.85 0.97 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.29 4.05 0.00 3.39 3.51 0.00 5.63 0.00 0.00 0.00 0.00 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.53 3.79 2.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.00 0.94 0.00 0.00 115 T 8.81 4.79 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 116 P 0.00 4.58 0.00 2.09 2.14 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 2.03 2.08 0.00 117 G 8.09 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 0.00 118 T 7.56 3.93 4.67 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 1.36 0.00 0.00 119 A 8.26 4.90 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 0.00 120 Y 8.56 2.87 0.00 2.70 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 Q 7.91 3.71 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 122 S 7.74 4.01 0.00 3.87 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 0.00 123 F 7.78 4.05 0.00 2.79 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 0.00 124 E 8.28 3.81 0.00 1.27 1.75 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 2.31 2.41 0.00 125 Q 7.57 3.88 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 126 V 7.50 3.57 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 1.03 0.00 0.00 0.97 0.00 0.00 127 V 7.42 2.88 1.09 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 0.23 0.00 0.00 -0.14 0.00 0.00 128 N 8.32 4.38 0.00 2.92 2.86 0.00 0.00 6.97 8.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 7.96 3.85 0.00 1.75 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 2.26 2.40 0.00 130 L 7.36 3.83 0.00 1.22 0.33 0.67 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.69 5.03 0.00 2.97 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 0.00 132 R 8.05 4.18 0.00 1.88 2.01 0.00 2.95 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 133 D 8.18 4.70 0.00 2.63 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 0.00 134 G 8.30 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 0.00 135 V 7.32 3.74 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 -0.42 0.00 0.00 0.30 0.00 0.00 136 N 7.24 3.58 0.00 2.91 2.71 0.00 0.00 6.09 8.88 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 0.00 137 W 8.70 4.62 0.00 3.82 3.81 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 0.00 0.00 0.00 138 G 8.54 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 0.00 139 R 7.94 3.94 0.00 1.91 1.52 0.00 3.13 0.00 0.00 3.37 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 140 I 7.81 4.04 2.29 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 1.35 0.97 1.38 0.00 0.00 141 V 8.10 3.54 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 0.98 0.00 0.00 0.99 0.00 0.00 142 A 7.82 2.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.35 4.01 0.00 3.17 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 0.00 144 F 8.23 3.42 0.00 2.76 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 0.00 0.00 0.00 0.00 145 S 8.31 4.42 0.00 4.24 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 0.00 146 F 8.69 4.32 0.00 3.15 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 0.00 147 G 8.30 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 0.00 0.00 0.00 148 G 8.36 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 0.00 0.00 0.00 149 A 8.36 4.04 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.79 3.77 0.00 1.59 1.68 0.69 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 151 C 8.13 4.04 0.00 3.17 2.95 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 0.00 152 V 7.75 3.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.90 0.00 0.00 153 E 8.42 3.91 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 154 S 8.03 4.06 0.00 3.94 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 0.00 155 V 7.42 3.45 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 0.85 0.00 0.00 0.83 0.00 0.00 156 D 7.80 4.67 0.00 2.81 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 0.00 157 K 7.62 4.38 0.00 1.84 1.81 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.66 7.81 158 E 8.48 3.81 0.00 2.04 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 2.25 2.36 0.00 159 M 8.24 4.72 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 160 Q 8.21 3.98 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.03 6.61 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 161 V 7.93 3.54 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 0.95 0.00 0.00 0.88 0.00 0.00 162 L 7.89 3.90 0.00 1.66 1.55 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.63 3.48 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 0.94 0.00 0.00 0.83 0.00 0.00 164 S 7.58 4.45 0.00 4.13 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 0.00 165 R 7.56 3.40 0.00 1.56 1.52 0.00 2.83 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.26 0.00 166 I 7.45 3.00 1.71 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.45 0.85 0.00 0.00 167 A 7.76 4.02 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 S 7.78 4.04 0.00 3.90 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 W 8.01 4.53 0.00 2.90 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.24 4.67 0.00 2.03 2.34 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.35 0.00 171 A 8.14 4.16 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 T 8.60 3.81 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 0.90 0.00 0.00 173 Y 8.79 4.20 0.00 3.73 3.34 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 0.00 174 L 8.65 3.85 0.00 2.11 2.15 1.22 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.60 4.38 0.00 2.83 2.89 0.00 0.00 7.08 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 0.00 176 D 7.79 4.38 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 0.00 177 H 7.87 4.41 0.00 2.40 2.83 0.00 5.68 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.36 4.19 0.00 1.60 1.42 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.32 3.88 0.00 2.09 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 2.34 2.42 0.00 180 P 0.00 4.19 0.00 2.16 2.06 0.00 3.54 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 2.03 2.09 0.00 181 W 7.98 4.00 0.00 3.20 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 I 7.74 3.40 1.94 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 1.03 0.35 0.48 0.00 0.00 183 Q 8.36 3.88 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 184 E 7.39 3.91 0.00 1.74 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 2.06 2.11 0.00 185 N 6.78 4.52 0.00 1.44 2.23 0.00 0.00 7.16 7.30 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 0.00 186 G 7.72 4.40 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 0.00 187 G 8.65 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 0.00 188 W 8.54 4.43 0.00 3.51 3.31 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 0.00 189 D 8.51 4.50 0.00 2.95 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 0.00 190 T 7.83 4.21 4.44 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 1.32 0.00 0.00 191 F 7.73 3.20 0.00 2.17 3.25 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 0.00 192 V 8.45 3.45 2.26 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 0.97 0.00 0.00 1.10 0.00 0.00 193 D 8.28 4.34 0.00 2.68 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 0.00 194 L 7.50 4.08 0.00 1.29 1.15 0.77 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 195 Y 7.52 4.22 0.00 2.17 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 0.00 196 G 7.66 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 * Residues marked with a * may have inaccurate shift predictions.