NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 F 4.9355 8.4245 119.4051 57.3903 40.5274 174.6021 6 K 4.6478 9.5525 124.4610 51.3030 35.7076 173.3604 7 P 4.6008 0.0000 0.0000 65.3531 32.3185 175.8214 8 G 4.1454 9.3604 112.6218 45.5253 0.0000 173.7469 9 D 4.5314 8.3322 120.2155 55.1152 42.0496 176.0611 10 L 4.8729 8.6682 123.0188 54.3820 43.4550 176.2117 11 V 5.1622 8.9913 115.6132 60.1672 37.2100 173.6492 12 F 5.3703 9.7837 120.6571 56.1040 41.1564 175.0315 13 A 5.3856 9.4078 125.5169 49.9907 21.7345 174.6578 14 K 4.9520 9.3219 124.5405 54.9182 33.9753 175.4105 15 M 4.8585 8.6401 126.3118 52.7452 34.9485 175.1046 16 K 3.9567 8.6410 122.9988 58.5007 32.5680 176.9623 17 G 3.8407 9.7999 113.9348 45.3268 0.0000 172.3812 18 Y 4.8771 7.4581 115.6369 55.0970 41.9034 173.4790 19 P 4.5345 0.0000 0.0000 62.4695 32.2083 175.6052 20 H 4.1277 8.7276 116.0389 56.6476 29.0082 174.4688 21 W 4.9625 9.3467 133.8335 54.4516 33.6659 172.9658 22 P 4.5885 0.0000 0.0000 63.3786 32.0097 175.0310 23 A 4.6222 8.8921 124.1306 51.1608 23.3953 174.6627 24 R 4.9766 8.3963 114.5849 54.4410 33.6434 174.7008 25 I 3.8572 8.6269 122.2237 61.8052 37.6564 175.2722 26 D 4.4205 9.3918 128.9916 55.2381 41.3916 174.6378 *36 P 3.9136 0.0000 0.0000 61.3621 31.6522 174.0396 37 P 4.2217 0.0000 0.0000 64.3417 31.8330 176.2334 38 N 4.0064 8.5715 122.2071 54.7924 37.5071 172.9714 39 K 4.9715 7.4785 113.8481 54.7368 35.4242 176.5106 40 Y 4.7261 9.3083 121.9719 56.0978 40.3683 173.1015 41 P 4.9057 0.0000 0.0000 62.8142 33.0909 174.8581 42 I 4.6708 8.9098 125.4974 59.1447 40.1943 174.1454 43 F 5.0197 8.6379 129.3586 56.4164 41.5461 174.1239 44 F 4.5157 8.2888 126.1025 56.0777 40.0079 175.8905 45 F 4.2825 8.3786 123.1727 58.9918 39.1346 174.7970 46 G 4.3397 10.0465 116.6477 46.2677 0.0000 175.3686 47 T 3.9175 7.6652 110.4091 61.8080 69.4083 174.6158 48 H 3.5461 7.5280 117.2162 56.6414 26.7853 174.4759 49 E 4.5944 7.2574 118.4799 55.5679 31.5344 175.3184 50 T 5.2549 8.1861 109.8021 60.4131 72.1113 172.6037 51 A 4.6010 8.7469 123.5680 50.9408 23.7441 174.4564 52 F 5.5190 8.5949 117.2506 56.1253 40.8231 175.9526 53 L 4.9479 9.0684 122.8284 52.7916 46.2724 176.8916 54 G 4.2324 8.7369 111.1416 44.0149 0.0000 172.9247 55 P 4.2767 0.0000 0.0000 65.9538 31.5068 179.5042 56 K 3.9278 8.1806 119.6137 57.3418 31.7563 180.8425 57 D 4.9315 8.1626 116.0424 54.5896 41.1156 175.4202 58 L 5.2360 7.2822 119.4851 52.8275 44.5856 176.1632 59 F 4.9841 9.1187 120.6523 55.0552 43.3219 172.5576 60 P 4.7618 0.0000 0.0000 63.2139 32.0561 176.6444 61 Y 4.2901 9.4407 128.6909 61.6604 39.0182 178.8514 62 D 4.2293 8.2915 116.6815 55.9953 40.1640 179.2328 63 K 4.1906 8.2383 119.8554 58.7170 32.5067 176.9509 64 C 4.7167 8.1637 113.5028 58.8521 29.6726 175.7235 65 K 4.2228 8.2969 123.9644 60.8297 31.6757 179.1285 66 D 4.3863 8.0232 120.8784 57.9423 39.5398 180.4968 67 K 4.0365 7.3521 118.6046 58.7048 32.6838 177.0366 68 Y 4.4198 7.2243 113.8056 58.0793 39.0309 177.0596 69 G 4.2384 8.1214 113.6908 44.6028 0.0000 173.6651 70 K 4.7726 7.6320 121.2194 52.2298 36.3473 175.8571 71 P 4.8036 0.0000 0.0000 62.6973 31.9638 175.5892 72 N 4.7586 8.7175 118.5173 51.8411 41.7863 174.7661 73 K 4.2343 8.3843 121.8775 57.2505 33.0006 177.8174 74 R 4.0437 8.3485 122.3836 56.3624 30.5403 176.8914 75 K 4.1309 8.8469 123.2435 56.7013 31.9945 175.6380 76 G 4.2535 9.1956 112.3628 45.0749 0.0000 175.1102 77 F 3.2770 8.5015 121.8961 61.3965 39.3784 176.7980 78 N 4.5203 8.3008 115.6118 56.1419 38.3624 176.7154 79 E 4.1193 8.4225 120.5340 59.3358 29.6884 178.8882 80 G 3.7377 8.2190 105.6163 48.0122 0.0000 175.4684 81 L 3.9145 8.0997 122.1382 57.0945 41.6381 179.5223 82 W 4.0153 8.2559 128.1615 60.4510 30.6210 177.8612 83 E 3.8098 8.5284 118.6108 59.4838 28.7335 179.2634 84 I 2.4189 6.7349 117.0627 63.2841 37.8558 177.0898 85 Q 4.0424 7.0866 118.5930 57.6103 29.1509 176.4164 86 N 4.4935 7.3020 115.4983 52.9716 40.4257 174.8264 87 N 4.8547 7.5616 118.3467 51.5835 39.1139 172.8801 88 P 4.1988 0.0000 0.0000 64.1548 32.7016 176.9663 89 H 4.5534 7.4021 119.0562 56.0090 29.2712 173.1427 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 5 F 8.42 4.94 0.00 2.63 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 6 K 9.55 4.65 0.00 1.61 1.59 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.26 1.35 7.81 7 P 0.00 4.60 0.00 2.05 2.09 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 8 G 9.36 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 0.00 0.00 0.00 9 D 8.33 4.53 0.00 2.82 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 10 L 8.67 4.87 0.00 1.66 1.39 0.73 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 11 V 8.99 5.16 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 0.58 0.00 0.00 0.77 0.00 0.00 12 F 9.78 5.37 0.00 3.15 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 13 A 9.41 5.39 1.12 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 0.00 0.00 14 K 9.32 4.95 0.00 1.67 1.89 0.00 1.73 0.00 0.00 1.21 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.48 7.81 15 M 8.64 4.86 0.00 2.13 1.91 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 2.66 2.58 0.00 16 K 8.64 3.96 0.00 1.76 1.79 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.48 7.81 17 G 9.80 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 18 Y 7.46 4.88 0.00 3.09 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 19 P 0.00 4.53 0.00 2.18 2.01 0.00 4.35 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 1.89 0.00 20 H 8.73 4.13 0.00 2.49 2.73 0.00 5.84 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 W 9.35 4.96 0.00 3.95 3.27 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 22 P 0.00 4.59 0.00 2.11 1.93 0.00 2.47 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.48 0.00 23 A 8.89 4.62 0.77 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 24 R 8.40 4.98 0.00 1.92 2.01 0.00 2.80 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.49 0.00 25 I 8.63 3.86 2.10 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.96 1.11 0.00 0.00 26 D 9.39 4.42 0.00 2.66 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.91 0.00 1.94 1.92 0.00 3.35 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.44 0.00 37 P 0.00 4.22 0.00 2.01 2.02 0.00 3.75 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 38 N 8.57 4.01 0.00 2.77 2.75 0.00 0.00 6.99 6.72 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 39 K 7.48 4.97 0.00 1.61 1.76 0.00 1.84 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.49 7.81 40 Y 9.31 4.73 0.00 2.79 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 41 P 0.00 4.91 0.00 2.13 2.38 0.00 3.85 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.14 0.00 42 I 8.91 4.67 1.53 0.00 0.00 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 1.22 1.04 -0.13 0.00 0.00 43 F 8.64 5.02 0.00 2.92 2.62 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 44 F 8.29 4.52 0.00 2.48 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 45 F 8.38 4.28 0.00 3.09 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 46 G 10.05 4.34 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 0.00 0.00 0.00 47 T 7.67 3.92 4.12 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 1.12 0.00 0.00 48 H 7.53 3.55 0.00 3.40 3.61 0.00 5.66 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.26 4.59 0.00 1.55 1.63 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 2.12 2.21 0.00 50 T 8.19 5.25 4.12 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 1.33 0.00 0.00 51 A 8.75 4.60 1.34 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 0.00 0.00 52 F 8.59 5.52 0.00 2.99 2.91 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 53 L 9.07 4.95 0.00 1.59 1.55 1.04 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.74 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 55 P 0.00 4.28 0.00 2.40 2.70 0.00 3.84 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 56 K 8.18 3.93 0.00 1.80 1.78 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.04 7.81 57 D 8.16 4.93 0.00 2.89 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 58 L 7.28 5.24 0.00 1.00 0.78 -0.03 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 59 F 9.12 4.98 0.00 3.39 3.30 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 60 P 0.00 4.76 0.00 2.23 2.14 0.00 3.89 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 61 Y 9.44 4.29 0.00 2.98 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 62 D 8.29 4.23 0.00 2.74 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 63 K 8.24 4.19 0.00 2.04 2.16 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.03 7.81 64 C 8.16 4.72 0.00 3.42 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 65 K 8.30 4.22 0.00 1.96 1.73 0.00 0.99 0.00 0.00 0.89 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.21 1.32 7.81 66 D 8.02 4.39 0.00 2.80 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 67 K 7.35 4.04 0.00 1.27 0.98 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.55 1.11 7.81 68 Y 7.22 4.42 0.00 1.43 2.21 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 69 G 8.12 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 0.00 0.00 0.00 70 K 7.63 4.77 0.00 1.72 1.51 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 1.01 7.81 71 P 0.00 4.80 0.00 2.04 2.15 0.00 3.61 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 2.06 2.14 0.00 72 N 8.72 4.76 0.00 1.44 1.42 0.00 0.00 7.18 6.27 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 73 K 8.38 4.23 0.00 1.75 1.83 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.37 7.81 74 R 8.35 4.04 0.00 1.99 2.26 0.00 3.36 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.89 0.00 75 K 8.85 4.13 0.00 1.77 1.65 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.04 7.81 76 G 9.20 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 0.00 0.00 0.00 0.00 77 F 8.50 3.28 0.00 2.80 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 78 N 8.30 4.52 0.00 2.85 2.94 0.00 0.00 6.63 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 79 E 8.42 4.12 0.00 2.07 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 0.00 2.51 2.46 0.00 80 G 8.22 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 0.00 0.00 0.00 81 L 8.10 3.91 0.00 1.92 1.80 1.22 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 82 W 8.26 4.02 0.00 3.43 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 83 E 8.53 3.81 0.00 2.14 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 2.67 2.83 0.00 84 I 6.73 2.42 0.97 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.17 -0.10 0.48 0.00 0.00 85 Q 7.09 4.04 0.00 2.04 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.54 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 86 N 7.30 4.49 0.00 1.44 1.99 0.00 0.00 6.71 7.28 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 87 N 7.56 4.85 0.00 2.47 2.64 0.00 0.00 6.87 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 88 P 0.00 4.20 0.00 1.82 1.81 0.00 3.34 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.96 0.00 89 H 7.40 4.55 0.00 3.09 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.91 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.