NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 L 4.3534 8.1693 120.6348 54.3738 43.0541 175.8149 16 S 4.5163 8.7768 115.4982 55.8123 63.7530 173.0493 17 R 4.2687 9.2955 118.6626 59.7601 30.3941 179.1741 18 H 4.4248 8.1017 115.4307 58.9446 29.0849 177.9120 19 D 4.5222 8.4247 116.3449 55.0781 40.1616 178.2085 *21 L 4.2530 8.0510 121.5768 54.8677 43.9057 179.1644 22 A 4.0347 8.2907 120.3144 54.7377 18.1462 179.3315 23 W 4.2350 8.4397 126.8865 60.8851 30.7840 178.3104 24 I 2.9746 7.4666 118.9691 64.2197 36.5879 178.0551 25 N 4.2203 8.3885 117.7522 56.0642 37.8980 177.2179 26 E 3.8797 8.2510 120.9154 59.3928 29.6670 179.0751 27 S 4.1937 8.1458 112.5680 60.5848 63.2011 174.8227 28 L 4.3656 7.7756 117.8159 53.3691 42.3761 176.0550 29 Q 3.3580 7.2174 116.6134 57.2460 26.4109 171.8026 30 L 4.7324 7.5739 116.3879 53.2481 44.8027 176.4136 31 N 5.0843 8.0873 114.6541 53.0176 39.6781 175.2553 32 L 4.2604 8.2674 118.3819 55.2497 42.1610 177.5929 33 T 4.5759 9.0178 111.5504 61.2744 70.5237 174.4364 34 K 4.7259 7.8224 121.3110 53.7158 36.2621 177.0731 35 I 3.8161 8.7199 123.5129 64.7476 37.0055 178.4742 36 E 4.0235 8.4009 118.7420 59.3967 29.1258 179.0035 37 Q 4.0871 8.0744 117.6646 58.0296 28.7506 177.8968 38 L 3.9728 8.0282 120.1830 56.2467 41.3967 178.4233 39 C 4.3725 7.8157 114.8449 60.8344 29.2701 175.5135 40 S 3.4174 7.4707 116.9073 58.9338 62.7779 176.0931 41 G 3.0746 7.8726 110.2096 45.5333 0.0000 175.3966 42 A 3.6437 7.3734 121.9619 54.8051 18.1752 179.5325 43 A 3.6255 7.4775 118.7621 55.4159 18.2563 179.2441 44 Y 4.2046 7.1323 113.3178 61.4522 38.0409 178.1330 45 C 4.3471 7.8872 116.4514 63.1069 28.3393 175.8069 46 Q 4.3070 8.0043 119.6960 58.8356 28.7026 178.7645 47 F 4.6762 8.1652 118.8724 57.5514 39.4652 175.3098 *49 D 4.5456 7.9466 115.3934 54.2640 42.4622 176.5340 *51 L 4.0575 7.9202 118.6782 53.8518 43.6583 177.2560 52 F 4.8950 7.4754 115.9499 54.1813 39.4896 170.9489 53 P 4.6279 0.0000 0.0000 63.4875 31.8641 177.2097 54 G 4.1080 9.1098 111.6683 45.2547 0.0000 174.4462 55 S 4.3679 8.2238 114.3536 60.3757 63.3208 174.2367 56 I 4.5922 7.4947 111.7516 58.8239 40.6750 174.5301 57 A 4.4875 8.3006 124.2389 50.5393 18.8148 178.0079 58 L 4.1671 8.5435 125.4325 58.2884 42.5559 179.3648 59 K 4.1355 8.1266 117.0200 59.5838 32.5701 178.1248 60 K 4.1294 7.9257 117.9215 57.9490 32.3670 177.5505 61 V 3.5830 7.2308 119.1195 62.3971 31.7100 175.8597 62 K 4.3200 8.3761 127.3572 54.9803 31.1268 176.6124 63 F 4.2859 8.6032 123.6124 59.4513 39.1943 176.6164 64 Q 4.6735 7.8653 118.5960 55.1296 29.2729 175.5156 65 A 4.3401 8.0701 120.5726 52.6164 18.8837 178.4741 66 K 4.7369 9.3353 119.0547 54.8251 34.7168 177.0143 67 L 4.4888 7.2794 118.7408 51.8964 45.8693 176.4610 68 E 3.4497 8.2659 122.5711 59.7631 29.5080 179.1431 69 H 4.1892 7.9112 114.4065 58.7193 28.5445 177.3392 70 E 3.9779 7.6253 120.8639 59.2328 29.3147 178.5988 71 Y 4.5919 7.5702 118.2217 60.7234 37.8865 178.5715 72 I 3.8551 8.2380 121.0829 64.6155 37.1919 178.2672 73 Q 3.9679 8.1863 120.2493 59.2131 28.8731 177.8953 74 N 4.1934 8.2617 117.5043 56.5135 38.4970 177.4477 75 F 4.1175 8.3789 119.0220 60.2529 38.8939 177.9696 76 K 4.2845 8.3423 120.1211 58.8453 31.7846 179.3739 77 I 3.6822 7.9356 120.2651 64.2269 36.9547 178.1655 78 L 3.9063 7.9481 121.0696 58.2947 41.5960 178.9919 79 Q 3.7551 8.3093 118.0576 58.9567 28.5573 178.8205 80 A 4.1470 8.3058 121.9477 54.8818 18.1352 179.9528 81 G 3.6465 8.0328 103.6775 47.9749 0.0000 175.5006 82 F 4.5801 8.6184 120.9954 60.3328 38.7733 177.6245 83 K 4.0003 8.1383 117.6471 59.4544 32.0247 179.6483 84 R 4.0946 7.9642 115.3093 56.8743 29.9904 176.9609 *86 G 3.8152 7.8235 103.2389 44.2875 0.0000 173.4156 87 V 3.6324 7.8307 120.2858 62.1890 31.8184 175.4568 88 D 4.7236 8.4229 127.0064 52.2767 40.9267 174.2933 89 K 4.2386 7.9882 125.5529 54.4492 34.9212 175.5268 90 I 3.9051 8.1899 127.8191 60.8897 37.5339 175.3038 91 I 3.8606 8.0286 127.1040 59.6262 38.5397 175.9154 92 P 4.4036 0.0000 0.0000 61.3365 27.8604 176.7410 93 V 2.8593 7.1789 123.0013 66.7254 31.7251 176.5281 94 D 4.3284 7.8471 116.8112 56.3836 38.9427 178.3800 95 K 4.0851 7.7243 119.2436 59.1748 32.3181 179.1828 96 L 3.9484 7.5740 119.2594 57.7637 41.3157 179.6145 97 V 4.1661 7.4863 109.9849 63.1017 31.6365 177.2743 98 K 4.1485 7.7365 118.5150 56.8531 32.0407 177.2279 99 G 3.9174 8.0316 106.8980 46.5681 0.0000 173.8982 100 K 4.6248 7.7121 117.5949 54.3525 34.6173 177.7304 101 F 4.0698 8.8270 122.5381 61.5526 39.4014 177.1448 102 Q 4.0746 8.2637 118.5627 59.5623 28.9764 177.9615 103 D 4.3935 8.0809 119.2757 57.5071 40.9513 178.4271 104 N 4.5165 7.8874 115.8057 56.1983 38.5242 177.3322 105 F 4.2509 8.4606 122.6599 60.9881 39.2251 176.7788 106 E 3.8340 8.4035 119.1543 59.3968 29.3804 178.7212 107 F 4.3028 8.3367 120.8872 61.2291 39.3902 177.5186 108 V 3.9143 8.2458 118.8984 64.9025 30.8563 178.4206 109 Q 3.8106 7.9182 118.8252 58.4187 28.4602 178.5238 110 W 3.9137 7.8571 129.4037 60.4235 30.7985 177.9025 111 F 3.4543 8.3693 120.9014 60.7069 38.6693 176.9603 112 K 3.0544 8.3429 119.7862 59.2540 31.9313 179.0010 113 K 3.6919 7.3135 118.4288 59.0353 31.9196 179.1407 114 F 3.6320 7.3062 121.0157 60.8745 39.0190 176.8494 115 F 3.5962 8.1567 120.4856 61.4140 38.9771 176.7358 116 D 4.2971 7.9293 116.9081 57.4236 40.6474 178.5309 117 A 3.9758 7.6160 120.2331 54.1328 18.4422 178.3900 118 N 4.4750 7.0019 111.9968 52.3897 40.4238 174.8530 119 Y 3.8992 7.3795 123.7921 57.4498 39.1467 175.4935 120 D 4.4945 7.9682 124.7791 52.3517 40.0813 176.7405 121 G 3.2117 5.8341 106.7432 45.6390 0.0000 174.1205 122 K 4.2633 7.3614 118.8984 55.6422 33.9678 175.7568 123 D 4.6766 8.4245 118.8823 54.2079 41.3266 175.8060 124 Y 4.5892 8.4021 123.4137 55.6278 41.9103 173.6622 125 D 4.5991 7.9593 126.9246 51.9803 42.0464 174.7186 126 P 4.0308 0.0000 0.0000 65.1862 31.7974 178.3963 127 V 3.5450 7.6486 117.7691 65.9095 31.6358 177.5443 128 A 3.8806 8.1749 120.2734 55.1850 17.9296 179.3836 129 A 3.9276 7.6095 118.1658 54.8068 18.4671 179.0950 130 R 3.8762 7.3044 113.9694 55.6752 30.2534 176.7778 131 Q 4.1268 7.3729 119.2272 56.0242 29.5551 175.8069 132 G 3.6948 8.9138 104.7067 46.6827 0.0000 174.0078 133 Q 3.9105 7.4308 120.9268 56.1007 29.2991 173.6731 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 L 8.17 4.35 0.00 1.72 1.92 0.83 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.78 4.52 0.00 4.09 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 17 R 9.30 4.27 0.00 1.97 1.91 0.00 2.66 0.00 0.00 2.95 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.28 0.00 18 H 8.10 4.42 0.00 3.27 3.42 0.00 5.62 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 19 D 8.42 4.52 0.00 2.98 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *21 L 8.05 4.25 0.00 1.94 1.79 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.29 4.03 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 23 W 8.44 4.23 0.00 3.30 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 24 I 7.47 2.97 1.63 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 -0.36 0.55 0.00 0.00 25 N 8.39 4.22 0.00 2.77 2.83 0.00 0.00 6.71 7.22 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 26 E 8.25 3.88 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 27 S 8.15 4.19 0.00 4.15 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 28 L 7.78 4.37 0.00 1.42 1.46 -0.31 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.22 3.36 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 30 L 7.57 4.73 0.00 1.63 1.48 0.68 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.09 5.08 0.00 2.61 2.72 0.00 0.00 6.86 7.85 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 32 L 8.27 4.26 0.00 1.71 1.57 0.84 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 33 T 9.02 4.58 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 1.26 0.00 0.00 34 K 7.82 4.73 0.00 1.80 1.95 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.46 7.81 35 I 8.72 3.82 2.07 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.08 0.86 0.00 0.00 36 E 8.40 4.02 0.00 2.11 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 0.00 2.64 2.57 0.00 37 Q 8.07 4.09 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 38 L 8.03 3.97 0.00 1.85 1.61 1.05 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 39 C 7.82 4.37 0.00 3.27 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 40 S 7.47 3.42 0.00 3.82 3.67 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 41 G 7.87 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 0.00 0.00 0.00 42 A 7.37 3.64 1.08 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 0.00 0.00 43 A 7.48 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 7.13 4.20 0.00 2.97 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 45 C 7.89 4.35 0.00 2.97 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 46 Q 8.00 4.31 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.61 0.00 0.00 0.00 0.00 0.00 2.52 2.64 0.00 47 F 8.17 4.68 0.00 3.71 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *49 D 7.95 4.55 0.00 2.95 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 *51 L 7.92 4.06 0.00 1.42 0.58 0.83 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 52 F 7.48 4.89 0.00 3.22 2.96 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 0.00 0.00 0.00 53 P 0.00 4.63 0.00 2.12 2.11 0.00 3.79 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 54 G 9.11 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 0.00 0.00 0.00 55 S 8.22 4.37 0.00 4.11 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 0.00 56 I 7.49 4.59 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.83 1.02 0.00 0.00 57 A 8.30 4.49 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 58 L 8.54 4.17 0.00 1.89 1.85 1.13 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.13 4.14 0.00 1.95 1.99 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.50 7.81 60 K 7.93 4.13 0.00 1.90 1.90 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.53 7.81 61 V 7.23 3.58 1.67 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 -0.05 0.00 0.00 0.77 0.00 0.00 62 K 8.38 4.32 0.00 1.74 1.76 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.36 7.81 63 F 8.60 4.29 0.00 3.03 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 64 Q 7.87 4.67 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 65 A 8.07 4.34 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 9.34 4.74 0.00 1.65 1.79 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.61 7.81 67 L 7.28 4.49 0.00 1.19 1.16 0.87 0.77 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 68 E 8.27 3.45 0.00 1.91 1.86 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 2.38 2.45 0.00 69 H 7.91 4.19 0.00 3.34 3.50 0.00 5.51 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.63 3.98 0.00 2.02 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 2.34 2.11 0.00 71 Y 7.57 4.59 0.00 3.18 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 72 I 8.24 3.86 2.08 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 1.45 0.92 0.94 0.00 0.00 73 Q 8.19 3.97 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 74 N 8.26 4.19 0.00 2.89 2.55 0.00 0.00 7.05 7.47 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 75 F 8.38 4.12 0.00 3.27 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 76 K 8.34 4.28 0.00 1.95 1.86 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.50 7.81 77 I 7.94 3.68 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.70 0.90 0.00 0.00 78 L 7.95 3.91 0.00 1.66 1.77 1.19 0.80 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 79 Q 8.31 3.76 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 80 A 8.31 4.15 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 81 G 8.03 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 0.00 0.00 0.00 82 F 8.62 4.58 0.00 3.19 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 83 K 8.14 4.00 0.00 1.80 2.05 0.00 1.83 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.48 7.81 84 R 7.96 4.09 0.00 2.00 2.14 0.00 3.62 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 *86 G 7.82 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 0.00 0.00 0.00 87 V 7.83 3.63 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 0.00 0.00 0.84 0.00 0.00 88 D 8.42 4.72 0.00 2.63 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 89 K 7.99 4.24 0.00 1.21 1.23 0.00 1.18 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.30 1.08 7.81 90 I 8.19 3.91 1.77 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 1.35 0.86 0.82 0.00 0.00 91 I 8.03 3.86 1.60 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.43 0.06 0.00 0.00 92 P 0.00 4.40 0.00 2.10 2.08 0.00 3.07 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 1.79 1.90 0.00 93 V 7.18 2.86 1.89 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 0.93 0.00 0.00 0.65 0.00 0.00 94 D 7.85 4.33 0.00 2.81 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 95 K 7.72 4.09 0.00 1.86 2.01 0.00 1.61 0.00 0.00 1.95 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.45 7.81 96 L 7.57 3.95 0.00 1.10 1.51 -0.05 1.03 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 97 V 7.49 4.17 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.05 0.00 0.00 98 K 7.74 4.15 0.00 1.88 1.89 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.66 1.54 7.81 99 G 8.03 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 0.00 0.00 0.00 100 K 7.71 4.62 0.00 1.84 1.80 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.39 7.81 101 F 8.83 4.07 0.00 3.36 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 0.00 102 Q 8.26 4.07 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.68 0.00 0.00 0.00 0.00 0.00 2.53 2.63 0.00 103 D 8.08 4.39 0.00 2.73 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 0.00 104 N 7.89 4.52 0.00 2.94 2.94 0.00 0.00 6.67 8.01 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 0.00 105 F 8.46 4.25 0.00 1.87 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 0.00 106 E 8.40 3.83 0.00 2.22 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 0.00 2.37 2.36 0.00 107 F 8.34 4.30 0.00 3.19 3.15 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 0.00 108 V 8.25 3.91 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 1.02 0.00 0.00 1.36 0.00 0.00 109 Q 7.92 3.81 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.85 0.00 0.00 0.00 0.00 0.00 1.96 1.74 0.00 110 W 7.86 3.91 0.00 3.32 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 0.00 111 F 8.37 3.45 0.00 3.04 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 0.00 112 K 8.34 3.05 0.00 1.55 1.68 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.01 0.99 7.81 113 K 7.31 3.69 0.00 1.56 1.57 0.00 1.60 0.00 0.00 1.46 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.35 7.81 114 F 7.31 3.63 0.00 1.51 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 0.00 0.00 0.00 115 F 8.16 3.60 0.00 3.16 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 0.00 116 D 7.93 4.30 0.00 2.64 2.61 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 0.00 117 A 7.62 3.98 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 0.00 118 N 7.00 4.47 0.00 2.06 2.25 0.00 0.00 6.96 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 7.38 3.90 0.00 1.78 2.38 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 0.00 120 D 7.97 4.49 0.00 2.58 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 5.83 3.21 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 0.00 0.00 0.00 0.00 122 K 7.36 4.26 0.00 1.88 1.87 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.65 1.46 7.81 123 D 8.42 4.68 0.00 2.74 2.70 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 0.00 124 Y 8.40 4.59 0.00 2.92 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 0.00 125 D 7.96 4.60 0.00 2.62 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.03 0.00 2.36 2.34 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.26 0.00 127 V 7.65 3.55 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 0.95 0.00 0.00 0.85 0.00 0.00 128 A 8.17 3.88 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 0.00 129 A 7.61 3.93 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 0.00 130 R 7.30 3.88 0.00 1.64 1.47 0.00 2.52 0.00 0.00 3.02 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.48 0.00 131 Q 7.37 4.13 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.13 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 132 G 8.91 3.69 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 0.00 0.00 0.00 133 Q 7.43 3.91 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.49 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.