NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 E 4.2598 8.3027 120.2157 56.2562 31.7387 177.3032 16 R 3.5761 7.7280 118.4068 58.0626 30.0001 173.2359 17 E 4.7777 8.2953 117.9376 55.8391 31.3751 175.1169 18 G 4.2267 8.3586 104.1148 42.3744 0.0000 174.2176 19 I 3.6336 8.2521 124.3422 64.4754 37.9652 176.9962 20 L 3.9646 8.0025 119.3867 58.3108 42.1573 177.9522 21 F 4.2847 8.4467 118.9980 62.0441 39.2996 177.3284 22 T 3.8494 8.1716 113.9440 67.2648 68.0443 175.9915 23 T 4.1619 8.1968 115.4773 64.6382 68.4589 176.6200 24 L 3.9848 8.2365 122.7307 57.2878 42.0731 178.6729 25 E 3.8860 7.7037 116.3182 58.5944 29.3583 178.4615 26 K 4.1258 7.9426 119.4908 58.2776 32.3070 179.0828 27 L 3.9465 7.2202 120.1152 57.7311 41.6363 179.1010 28 V 3.5961 8.4267 118.4049 66.1352 31.3333 177.8617 29 A 4.0110 7.7677 120.1293 55.1455 18.1257 179.4408 30 W 4.1336 7.9826 124.9450 60.7824 30.8938 177.7270 31 G 3.8547 8.5206 106.7048 47.4648 0.0000 174.7360 32 R 4.7554 8.1546 118.6726 55.4146 29.8599 177.4531 33 S 3.9876 7.7655 114.7400 60.2186 62.5069 174.1693 34 N 4.8342 7.8991 114.8999 53.0731 40.3412 174.7824 35 S 4.6957 7.6127 112.7274 57.7926 63.6192 173.5802 36 L 4.8349 7.7813 120.7336 55.0350 41.6152 176.9039 37 W 5.3055 10.0624 135.0000 54.4781 31.4236 171.8299 38 P 4.5962 0.0000 0.0000 62.4696 31.8061 176.0765 39 A 4.4046 8.6336 125.6875 49.4131 19.7119 175.0331 40 T 4.0832 8.1862 114.7172 62.4755 68.4186 173.4880 41 F 4.8874 8.7292 127.4243 56.3524 38.9488 173.8394 42 G 3.5462 7.9880 107.5567 48.0341 0.0000 169.2958 43 L 4.3122 9.1232 121.4311 54.5241 43.6067 178.4840 44 A 4.6768 8.9276 135.0000 53.2500 20.3556 180.2188 45 C 3.4792 8.4088 106.5891 61.9887 30.5966 176.5682 46 C 4.1351 8.2730 117.9135 62.3761 27.3760 175.5138 47 A 3.9730 8.6660 122.9944 55.4068 18.1756 179.3434 48 I 3.9257 7.5167 117.2688 63.5959 37.1518 177.6040 49 E 4.2160 8.0803 118.4777 57.7336 30.1453 176.6656 50 M 4.2475 7.8126 118.1400 58.1694 32.6496 176.7639 51 M 4.6033 7.4449 115.7519 55.6864 31.7270 176.6332 52 A 4.6928 7.9184 120.5762 51.4257 21.1613 177.7076 53 S 4.6213 8.0794 109.8682 59.3579 64.5077 176.8573 54 T 4.0487 7.8486 116.9206 66.1713 68.3704 175.0777 55 D 4.5300 7.9995 118.6405 55.2991 41.3847 176.9184 56 A 4.4081 7.4097 120.5502 53.0699 20.9373 178.5117 57 R 3.9698 8.3272 109.8981 56.8569 28.3633 178.2013 *74 Q 4.1457 9.1044 109.7015 55.3082 30.5791 174.3373 75 A 5.1016 8.5807 124.7013 50.2833 22.3343 174.5203 76 D 4.9549 8.4647 120.5817 52.8075 42.2517 174.8275 77 V 4.4003 8.7173 118.6439 64.8874 28.7423 168.7917 78 M 5.0200 7.7643 119.3706 54.2138 33.3602 176.2527 79 I 4.7405 8.3725 124.2637 59.7857 39.4344 174.8455 80 V 4.3085 8.9964 129.0275 62.2538 32.5049 174.6230 81 A 4.8608 9.7553 131.1824 47.8997 19.1328 174.8952 82 G 4.5929 8.5537 107.7602 42.2125 0.0000 170.6199 83 R 3.9130 8.1003 117.4834 56.5441 29.8973 176.1992 84 L 4.4106 8.5553 126.9324 53.5373 42.9414 175.7816 85 S 4.6242 8.5114 121.5656 58.1133 63.3104 175.1388 86 K 4.0466 8.2789 123.1165 58.9990 31.7980 179.5341 87 K 4.0977 7.6759 119.2806 59.5746 32.4105 178.3222 88 M 4.2028 8.0281 117.2777 57.6142 32.2078 177.8190 89 A 3.9693 7.6283 121.8256 54.8677 18.5306 177.6774 90 P 4.2339 0.0000 0.0000 66.1489 30.9965 178.4060 91 V 3.6534 7.7743 117.6416 66.1232 31.6049 177.3889 92 M 3.8325 8.1326 117.6216 58.3349 31.8721 178.0745 93 R 3.8086 7.8673 119.0992 59.6431 30.2302 178.4856 94 R 4.1809 7.8076 119.0293 58.7411 29.9300 179.0395 95 V 3.5805 7.5502 116.8897 65.8959 31.4384 177.7358 96 W 4.1187 7.7979 126.3600 60.4202 30.4501 177.3632 97 E 3.9084 8.6088 118.6331 59.2829 29.7459 178.8211 98 Q 4.2381 7.9410 116.6370 55.9495 27.8853 174.3743 99 M 4.7127 7.0257 116.1797 52.3456 36.1628 172.8214 100 P 4.4207 0.0000 0.0000 62.8632 32.1246 174.2384 101 D 4.3075 8.3507 114.9358 55.6512 42.2356 175.2400 102 P 3.9169 0.0000 0.0000 62.6123 30.4334 175.4178 103 K 4.4585 6.8417 120.9780 54.8525 35.7927 175.5568 104 W 6.0184 8.6951 119.5447 54.2083 34.0843 173.9425 105 V 4.8938 8.8047 121.5183 61.3121 34.0575 174.0555 106 I 4.9464 8.6589 128.4527 59.5641 39.9612 174.4767 107 S 5.0887 8.6240 121.1483 56.8436 65.2928 172.5334 108 M 4.5746 9.2498 125.4538 54.6273 33.1603 176.7946 109 G 4.4439 9.0508 116.3273 43.7954 0.0000 173.5514 110 A 4.0023 8.6578 120.5741 55.6246 18.1808 180.0263 111 C 4.2536 8.1820 111.0265 62.7457 28.8105 175.4368 112 A 4.1684 8.1596 122.2734 55.2231 17.6684 178.8201 113 S 4.4035 7.6280 111.8866 61.0673 63.9706 177.0862 114 S 5.3444 7.6655 115.4932 56.1883 65.4060 174.8257 115 G 4.3147 8.1477 107.7748 45.7835 0.0000 175.6618 116 G 3.8472 7.6529 108.3469 45.4159 0.0000 174.4281 117 M 4.0966 8.2809 116.7389 56.4200 31.4655 177.0001 118 F 4.6378 7.1793 118.6223 56.0093 37.8663 173.4507 119 N 4.7390 7.8504 122.0154 51.5445 38.6668 173.0617 120 N 4.5892 7.8417 121.5204 52.1376 39.7645 175.0717 121 Y 4.2288 9.3295 115.5302 59.5129 37.9258 176.7843 122 A 4.2495 7.1179 121.2077 51.6383 19.9588 176.0970 123 I 4.6436 6.9354 115.1387 58.6748 40.2323 175.7323 124 V 3.6848 8.0363 124.8793 63.3738 31.4452 175.6499 125 Q 4.4135 8.6610 124.6093 54.8914 29.0869 174.5029 126 N 5.3582 7.5961 122.2539 53.0395 41.3919 175.2819 127 V 3.8288 8.0521 127.0433 65.4296 31.7079 176.9364 128 D 5.2739 8.5998 117.7316 55.8038 41.0913 177.1774 129 S 4.2911 8.4373 114.7098 61.2467 63.0444 175.3835 130 V 4.1949 7.4661 111.2678 61.6426 33.9956 176.3599 131 V 3.5692 7.7557 112.0000 58.1957 35.1769 172.5880 132 P 4.4307 0.0000 0.0000 62.8022 30.9533 176.1147 133 V 3.7493 8.4508 124.5955 62.4440 32.2486 175.4740 134 D 4.6779 8.9994 127.5743 56.3611 42.2618 176.7042 135 V 4.7708 7.5537 116.6737 61.1242 35.3572 173.5345 136 Y 5.2097 8.8096 123.6176 56.0777 40.7078 175.4262 137 V 4.5125 8.6841 124.1114 58.9502 33.3950 173.4328 138 P 4.6119 0.0000 0.0000 62.6568 32.0832 175.0508 139 G 4.2575 7.7948 107.7448 44.4489 0.0000 172.2888 140 C 5.1364 7.7741 121.8040 57.2230 31.9932 171.3542 141 P 4.7659 0.0000 0.0000 59.7810 33.2200 174.5412 142 P 4.3887 0.0000 0.0000 61.9790 32.0279 176.1645 143 R 3.9849 8.5754 121.3805 56.1052 30.8341 175.2941 144 P 4.2940 0.0000 0.0000 65.6946 31.1478 178.5841 145 E 4.1630 8.1951 115.4255 58.0339 29.4383 178.3554 146 A 4.0891 7.6614 121.4928 54.1179 18.7834 179.0915 147 L 4.0816 7.7778 118.8004 57.7049 42.1367 179.3553 148 I 3.7388 7.7095 119.7959 64.6882 37.2119 177.3281 149 Y 4.0296 7.6921 119.7382 60.7114 38.3524 178.1377 150 A 4.0658 8.0840 121.7631 54.9578 18.4098 179.6135 151 V 3.7820 7.4682 109.0109 63.6241 31.9572 178.5610 152 M 3.8941 7.8065 118.4606 57.9245 31.6627 178.2782 153 Q 3.7067 7.5099 119.8813 58.9139 29.2522 177.7424 154 L 3.9149 7.6659 121.0199 57.7599 41.8773 178.5219 155 Q 3.6991 7.9882 120.3878 58.8110 29.1724 177.3223 156 K 3.9397 8.0361 119.4191 57.9097 32.1459 178.0486 157 K 4.0390 7.4956 118.7144 59.0917 32.4108 178.3882 158 V 3.7446 7.0789 111.2999 63.4737 31.6416 177.4343 159 R 4.0113 7.4887 117.9331 56.6838 30.0274 176.6145 160 G 3.8045 8.0611 106.1801 47.1492 0.0000 173.8275 161 Q 4.4152 7.9119 117.3127 54.9729 29.8135 174.5068 162 A 4.6468 7.4358 117.8495 49.8392 21.8828 175.6140 163 Y 5.7446 8.6466 118.3649 55.0099 41.6973 175.6841 164 N 4.8185 8.4485 119.2789 52.2036 39.2011 175.2153 165 E 4.2122 8.5917 116.1382 58.4797 29.7767 178.3990 166 R 4.0471 7.8846 117.4395 57.4160 30.3361 177.2006 167 G 3.9900 7.7207 103.6789 45.2690 0.0000 174.0443 168 E 4.2891 8.4145 120.4760 55.8371 30.3303 175.8380 169 R 4.3372 8.7174 123.6420 56.3941 30.9607 175.2825 170 L 4.8261 8.5461 126.8406 52.1130 43.4945 174.6696 171 P 4.2554 0.0000 0.0000 62.6756 31.0996 174.2425 172 P 4.6459 0.0000 0.0000 64.9531 31.5430 176.6226 173 V 4.3431 7.6464 115.1456 60.9444 33.7540 175.9109 174 A 4.3889 8.1178 130.8366 50.2374 16.9628 177.4666 175 A 4.2008 7.4971 125.2924 51.9365 19.1203 176.7082 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 15 E 8.30 4.26 0.00 1.84 1.77 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 2.22 2.23 0.00 16 R 7.73 3.58 0.00 1.75 2.03 0.00 3.46 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.75 0.00 17 E 8.30 4.78 0.00 1.97 1.93 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 2.23 2.38 0.00 18 G 8.36 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 0.00 0.00 0.00 0.00 19 I 8.25 3.63 1.89 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 1.53 1.57 0.92 0.00 0.00 20 L 8.00 3.96 0.00 1.70 1.69 0.95 0.70 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 21 F 8.45 4.28 0.00 3.09 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 22 T 8.17 3.85 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 1.19 0.00 0.00 23 T 8.20 4.16 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 1.17 0.00 0.00 24 L 8.24 3.98 0.00 1.83 1.62 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.70 3.89 0.00 2.00 1.76 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 2.17 2.23 0.00 26 K 7.94 4.13 0.00 1.81 1.89 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.66 7.81 27 L 7.22 3.95 0.00 2.15 1.69 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.43 3.60 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 1.12 0.00 0.00 0.94 0.00 0.00 29 A 7.77 4.01 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.98 4.13 0.00 3.53 3.29 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 0.00 31 G 8.52 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 32 R 8.15 4.76 0.00 2.07 2.11 0.00 3.31 0.00 0.00 3.11 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 33 S 7.77 3.99 0.00 3.60 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 34 N 7.90 4.83 0.00 2.62 2.70 0.00 0.00 6.90 7.73 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 35 S 7.61 4.70 0.00 3.96 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 36 L 7.78 4.83 0.00 1.61 1.62 0.69 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 37 W 10.06 5.31 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 38 P 0.00 4.60 0.00 1.80 1.91 0.00 3.55 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 39 A 8.63 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 40 T 8.19 4.08 4.21 0.00 0.00 0.00 0.00 0.00 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 41 F 8.73 4.89 0.00 3.11 3.01 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 42 G 7.99 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 9.12 4.31 0.00 1.49 1.44 1.10 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.93 4.68 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 0.00 0.00 0.00 0.00 0.00 45 C 8.41 3.48 0.00 3.14 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 46 C 8.27 4.14 0.00 3.07 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.67 3.97 1.26 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 0.00 0.00 0.00 48 I 7.52 3.93 1.86 0.00 0.00 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 1.39 1.11 0.90 0.00 0.00 49 E 8.08 4.22 0.00 1.91 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 2.37 2.36 0.00 50 M 7.81 4.25 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 51 M 7.44 4.60 0.00 2.09 2.16 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 2.85 2.46 0.00 52 A 7.92 4.69 1.29 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 0.00 0.00 0.00 53 S 8.08 4.62 0.00 4.01 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 54 T 7.85 4.05 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 55 D 8.00 4.53 0.00 2.64 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 56 A 7.41 4.41 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 57 R 8.33 3.97 0.00 1.93 1.73 0.00 3.20 0.00 0.00 3.29 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 *74 Q 9.10 4.15 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 75 A 8.58 5.10 1.29 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 0.00 0.00 0.00 76 D 8.46 4.95 0.00 3.17 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 77 V 8.72 4.40 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.13 0.00 0.00 78 M 7.76 5.02 0.00 2.16 2.19 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 2.70 2.58 0.00 79 I 8.37 4.74 1.89 0.00 0.00 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 1.25 0.64 0.93 0.00 0.00 80 V 9.00 4.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.90 0.00 0.00 81 A 9.76 4.86 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 82 G 8.55 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.10 3.91 0.00 1.73 1.96 0.00 3.02 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.39 0.00 84 L 8.56 4.41 0.00 1.76 1.63 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.51 4.62 0.00 3.88 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 86 K 8.28 4.05 0.00 1.71 1.85 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.54 7.81 87 K 7.68 4.10 0.00 1.74 1.82 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.44 7.81 88 M 8.03 4.20 0.00 2.30 2.04 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.69 0.00 89 A 7.63 3.97 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 90 P 0.00 4.23 0.00 2.28 2.34 0.00 3.81 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 2.20 2.04 0.00 91 V 7.77 3.65 2.40 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 1.16 0.00 0.00 0.98 0.00 0.00 92 M 8.13 3.83 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 2.20 0.00 93 R 7.87 3.81 0.00 2.07 2.13 0.00 3.24 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 94 R 7.81 4.18 0.00 2.03 2.00 0.00 3.24 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.53 0.00 95 V 7.55 3.58 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 0.77 0.00 0.00 1.10 0.00 0.00 96 W 7.80 4.12 0.00 3.24 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.61 3.91 0.00 2.26 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 2.66 2.97 0.00 98 Q 7.94 4.24 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 99 M 7.03 4.71 0.00 1.56 1.82 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 100 P 0.00 4.42 0.00 2.15 2.06 0.00 3.75 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 101 D 8.35 4.31 0.00 2.51 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 3.92 0.00 2.04 1.94 0.00 3.60 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 103 K 6.84 4.46 0.00 1.48 1.41 0.00 0.89 0.00 0.00 1.52 0.00 0.00 2.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 1.13 7.81 104 W 8.70 6.02 0.00 3.28 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.80 4.89 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 0.99 0.00 0.00 1.18 0.00 0.00 106 I 8.66 4.95 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.52 0.92 0.00 0.00 107 S 8.62 5.09 0.00 3.90 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 0.00 108 M 9.25 4.57 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 109 G 9.05 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 0.00 0.00 0.00 0.00 110 A 8.66 4.00 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 0.00 111 C 8.18 4.25 0.00 3.09 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 0.00 112 A 8.16 4.17 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 0.00 113 S 7.63 4.40 0.00 4.00 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 0.00 114 S 7.67 5.34 0.00 4.02 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 0.00 115 G 8.15 4.31 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 0.00 116 G 7.65 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 0.00 117 M 8.28 4.10 0.00 1.77 1.87 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.81 0.00 118 F 7.18 4.64 0.00 3.28 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 N 7.85 4.74 0.00 2.66 2.76 0.00 0.00 7.13 7.79 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 0.00 120 N 7.84 4.59 0.00 3.12 3.01 0.00 0.00 5.88 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 Y 9.33 4.23 0.00 3.16 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 0.00 122 A 7.12 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 I 6.94 4.64 1.86 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.56 0.99 0.00 0.00 124 V 8.04 3.68 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 0.79 0.00 0.00 0.92 0.00 0.00 125 Q 8.66 4.41 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.93 0.00 0.00 0.00 0.00 0.00 2.56 2.29 0.00 126 N 7.60 5.36 0.00 2.79 2.74 0.00 0.00 7.31 7.71 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 0.00 127 V 8.05 3.83 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 0.87 0.00 0.00 0.97 0.00 0.00 128 D 8.60 5.27 0.00 2.73 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 S 8.44 4.29 0.00 3.87 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 0.00 130 V 7.47 4.19 1.92 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 0.68 0.00 0.00 0.88 0.00 0.00 131 V 7.76 3.57 0.83 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 0.21 0.00 0.00 0.64 0.00 0.00 132 P 0.00 4.43 0.00 2.11 2.07 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 133 V 8.45 3.75 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 -0.02 0.00 0.00 0.80 0.00 0.00 134 D 9.00 4.68 0.00 2.96 2.81 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 0.00 135 V 7.55 4.77 2.07 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 1.11 0.00 0.00 0.92 0.00 0.00 136 Y 8.81 5.21 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 0.00 137 V 8.68 4.51 2.16 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 0.92 0.00 0.00 1.00 0.00 0.00 138 P 0.00 4.61 0.00 2.10 2.11 0.00 3.86 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 2.01 2.00 0.00 139 G 7.79 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 0.00 0.00 0.00 0.00 140 C 7.77 5.14 0.00 2.89 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 0.00 141 P 0.00 4.77 0.00 2.23 2.06 0.00 3.83 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 1.94 1.95 0.00 142 P 0.00 4.39 0.00 2.22 2.31 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 143 R 8.58 3.98 0.00 1.85 1.88 0.00 3.17 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.69 0.00 144 P 0.00 4.29 0.00 2.20 2.08 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 145 E 8.20 4.16 0.00 2.06 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 0.00 2.40 2.44 0.00 146 A 7.66 4.09 1.29 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 0.00 0.00 0.00 147 L 7.78 4.08 0.00 1.67 1.86 0.93 1.00 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 0.00 148 I 7.71 3.74 2.09 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 1.54 0.73 0.95 0.00 0.00 149 Y 7.69 4.03 0.00 3.05 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 0.00 150 A 8.08 4.07 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 0.00 151 V 7.47 3.78 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 0.86 0.00 0.00 0.88 0.00 0.00 152 M 7.81 3.89 0.00 1.90 1.94 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 2.82 2.45 0.00 153 Q 7.51 3.71 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 154 L 7.67 3.91 0.00 1.66 1.51 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 155 Q 7.99 3.70 0.00 2.15 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.64 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 156 K 8.04 3.94 0.00 1.70 1.84 0.00 1.62 0.00 0.00 1.48 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.52 7.81 157 K 7.50 4.04 0.00 1.92 1.78 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.43 7.81 158 V 7.08 3.74 1.87 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 -0.56 0.00 0.00 0.57 0.00 0.00 159 R 7.49 4.01 0.00 1.66 1.99 0.00 3.05 0.00 0.00 3.03 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 160 G 8.06 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 0.00 161 Q 7.91 4.42 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.53 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 162 A 7.44 4.65 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 0.00 163 Y 8.65 5.74 0.00 2.84 2.99 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 0.00 164 N 8.45 4.82 0.00 3.00 3.05 0.00 0.00 6.05 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 0.00 165 E 8.59 4.21 0.00 2.01 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 2.29 0.00 166 R 7.88 4.05 0.00 2.00 2.00 0.00 3.16 0.00 0.00 3.51 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 167 G 7.72 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 0.00 168 E 8.41 4.29 0.00 2.13 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 2.44 2.47 0.00 169 R 8.72 4.34 0.00 2.02 1.91 0.00 3.22 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.31 0.00 170 L 8.55 4.83 0.00 1.60 1.58 0.95 1.11 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 0.00 171 P 0.00 4.26 0.00 2.11 2.11 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 172 P 0.00 4.65 0.00 2.25 2.33 0.00 3.68 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 2.09 2.13 0.00 173 V 7.65 4.34 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 0.57 0.00 0.00 0.23 0.00 0.00 174 A 8.12 4.39 1.32 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 0.00 0.00 0.00 0.00 0.00 175 A 7.50 4.20 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 * Residues marked with a * may have inaccurate shift predictions.