NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 Q 4.3753 8.2033 118.9604 56.4611 30.9401 173.0885 -1 T 5.3788 8.0399 115.4573 60.5280 70.8395 169.2702 -1 V 5.1488 7.9199 121.0573 60.9280 33.9395 170.8702 2 A 4.8556 9.1813 126.6552 50.3134 21.9971 175.7977 3 I 4.6041 8.2332 120.9336 59.3503 40.8449 175.1479 4 K 4.6812 9.2196 127.1919 56.3394 33.8598 176.1235 5 M 4.5527 9.3139 124.9530 56.8871 33.3806 176.0230 6 G 4.2152 8.9164 111.9346 47.0174 0.0000 172.4564 7 A 4.4770 8.5718 127.5142 51.4426 19.4361 178.0199 8 D 4.3978 9.0276 120.6943 57.4403 40.9357 177.8776 9 N 4.5568 8.0821 113.4436 53.0940 37.1259 175.9124 10 G 3.9419 8.2351 107.3387 45.8359 0.0000 174.1983 11 M 4.2391 8.0536 119.7712 54.7474 32.6609 176.1342 12 L 4.4529 8.1314 121.8844 54.0617 40.6269 175.8434 13 A 4.4692 7.5161 123.2389 50.7488 22.7464 174.8181 14 F 5.0369 8.6180 117.9273 56.7871 40.8628 175.5576 15 E 4.7225 9.2698 122.6792 53.9152 32.3587 172.9380 16 P 4.9412 0.0000 0.0000 62.5501 32.1824 176.8151 17 S 4.5752 8.8714 116.0279 60.9765 64.4402 173.7827 18 T 5.1585 7.8264 115.9832 61.7245 71.8764 173.2697 19 I 4.7021 8.6211 124.6537 59.3783 42.0674 173.2817 20 E 5.2669 8.7839 126.8596 54.6662 32.2468 175.0287 21 I 4.6905 8.8440 116.5285 59.6530 42.0479 173.5606 22 Q 5.0587 9.3032 120.1886 53.7644 31.1358 175.8715 23 A 4.3100 8.6448 125.6818 54.4023 18.7407 178.3650 24 G 4.0287 9.3291 111.7160 45.0656 0.0000 173.6989 25 D 4.7742 8.1008 119.6103 54.4554 42.3981 175.3012 26 T 5.0113 8.5218 117.5824 61.9416 70.9349 174.0829 27 V 4.1175 8.7718 126.1514 61.0956 33.7902 173.9895 28 Q 4.8951 8.0920 128.4493 54.1042 31.6384 173.8557 29 W 4.8473 8.8161 126.9287 55.4219 31.3219 175.4910 30 V 4.6800 8.6018 123.8934 60.6955 34.1086 173.9892 31 N 4.4363 9.1804 127.8051 54.3653 39.2075 172.9119 32 N 4.8676 9.2440 124.6553 54.2691 40.3050 174.4060 33 K 4.6512 7.2912 115.7741 55.7330 36.5647 176.0074 34 L 3.8736 8.6648 117.5562 55.8120 38.7658 175.0587 35 A 4.0120 7.9235 119.0053 51.2545 19.1716 176.3973 36 P 4.9702 0.0000 0.0000 62.1593 32.8902 174.8452 37 H 5.1859 8.2681 116.3122 54.5894 33.9466 171.6784 38 N 5.2307 8.5053 116.0219 51.8585 41.6679 172.8733 39 V 4.6978 8.2484 117.4370 61.2286 34.8205 174.3088 40 V 4.3147 8.4338 128.5100 59.7306 33.5508 174.8967 41 V 4.4258 8.3636 127.0417 61.2536 32.0032 175.4574 42 E 3.8845 8.9125 128.2997 57.4300 29.6450 178.1813 *49 G 3.7864 8.8682 111.9601 45.6341 0.0000 171.9736 *52 Q 4.8138 7.4203 117.8640 55.2165 29.2280 173.6924 53 P 4.2537 0.0000 0.0000 65.0715 31.9237 178.6824 54 E 4.0260 8.0804 114.6734 58.1209 29.7238 177.2099 55 L 4.3250 7.5536 117.7949 54.4636 42.3249 176.5179 56 S 4.4055 7.2654 114.8505 57.7811 64.3866 173.9978 57 H 4.4174 8.5986 121.5221 53.9654 29.4922 173.8922 58 K 3.9493 7.9852 123.5970 58.3286 32.2890 177.9016 59 D 4.2450 7.5165 119.1615 54.2485 41.2969 175.3463 *62 L 4.0774 8.4316 121.4882 54.6064 43.0450 176.0503 63 A 4.9463 8.6316 125.2826 50.8539 20.1974 177.5192 64 F 4.3390 9.1222 121.7659 59.1315 40.5306 176.9186 65 S 4.7387 7.8856 115.0548 56.3354 63.9660 172.0081 66 P 4.5910 0.0000 0.0000 64.1986 31.5194 176.9779 67 G 3.9933 9.1564 112.1466 44.9446 0.0000 173.5018 68 E 4.2414 8.0304 121.8737 56.8181 30.4967 175.8977 69 T 5.4813 8.7052 115.5445 59.1253 72.3145 172.5490 70 F 5.1487 7.7107 115.4528 56.1744 41.3954 172.4550 71 E 5.6370 8.9608 117.7877 55.2901 34.1045 174.5153 72 A 4.7420 9.1119 121.2540 51.1147 23.1493 175.2711 73 T 4.8799 8.3877 117.8807 61.9881 70.6778 174.1865 74 F 4.4041 9.0229 126.3619 56.1304 39.6533 176.7070 75 S 4.5569 8.7679 118.7673 58.5367 63.9523 173.9533 76 E 4.7283 7.9739 120.8292 53.5787 31.1527 174.0487 77 P 4.5292 0.0000 0.0000 62.4739 32.1945 176.1723 78 G 4.1409 7.4607 108.2103 44.5483 0.0000 171.2646 79 T 4.9685 7.5391 116.5076 61.8522 70.5143 174.0287 80 Y 4.8060 9.4584 123.9563 56.5311 41.3067 174.7386 81 T 5.2687 8.7438 120.3424 62.3133 71.2798 173.1809 82 Y 5.5392 8.7595 122.7447 55.9423 42.1978 173.2390 83 Y 5.4128 8.4572 117.2328 56.2457 42.2119 172.7981 84 C 5.3798 9.0488 120.5369 57.5176 32.8379 174.1834 85 E 4.1670 10.0209 127.1308 59.3242 29.4159 177.5538 86 P 4.1877 0.0000 0.0000 65.3362 31.6028 176.9538 87 H 4.9426 7.6354 113.3533 55.4365 29.3413 176.1688 88 R 3.9621 8.0950 123.8110 59.3753 29.9722 179.1613 89 G 3.5435 8.1139 105.3223 47.9946 0.0000 173.6622 90 A 4.2908 7.8824 120.9510 52.0631 18.9002 177.8038 91 G 3.8973 8.2201 104.6884 45.7803 0.0000 174.9426 92 M 4.3674 7.6787 121.3270 54.4924 30.9194 174.3740 93 V 5.0785 8.0500 121.4707 60.6385 35.5329 173.7554 94 G 3.9038 8.6436 112.7435 44.2965 0.0000 170.7786 95 K 5.2773 9.0319 119.8400 54.5885 36.1060 174.8524 96 I 4.9681 9.2254 127.2345 59.5270 40.6364 174.3536 97 V 4.6809 8.8865 127.6850 61.3067 33.6805 174.5829 98 V 4.7891 9.1351 121.9780 59.7624 34.0101 176.0730 99 Q 4.2739 9.2745 124.3981 56.0471 28.8641 175.9651 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 Q 8.20 4.38 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 -1 T 8.04 5.38 4.19 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 1.14 0.00 0.00 -1 V 7.92 5.15 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 0.77 0.00 0.00 0.86 0.00 0.00 2 A 9.18 4.86 1.11 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 3 I 8.23 4.60 1.35 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.43 1.17 0.00 0.00 4 K 9.22 4.68 0.00 1.85 1.90 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.43 7.81 5 M 9.31 4.55 0.00 1.85 2.07 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 3.06 0.00 6 G 8.92 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 0.00 0.00 0.00 0.00 7 A 8.57 4.48 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 8 D 9.03 4.40 0.00 2.67 2.75 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 9 N 8.08 4.56 0.00 2.81 2.91 0.00 0.00 6.18 7.00 0.00 0.00 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 G 8.24 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 11 M 8.05 4.24 0.00 2.09 2.07 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 2.68 2.49 0.00 12 L 8.13 4.45 0.00 1.56 1.51 0.84 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.52 4.47 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 14 F 8.62 5.04 0.00 3.09 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 15 E 9.27 4.72 0.00 2.03 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 2.21 2.26 0.00 16 P 0.00 4.94 0.00 2.34 2.04 0.00 3.82 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 1.98 1.95 0.00 17 S 8.87 4.58 0.00 3.98 4.32 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 18 T 7.83 5.16 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 1.23 0.00 0.00 19 I 8.62 4.70 1.84 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 1.14 1.57 0.80 0.00 0.00 20 E 8.78 5.27 0.00 1.83 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 2.19 2.25 0.00 21 I 8.84 4.69 1.97 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.87 0.75 0.00 0.00 22 Q 9.30 5.06 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 23 A 8.64 4.31 1.38 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 0.00 0.00 24 G 9.33 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 0.00 0.00 0.00 25 D 8.10 4.77 0.00 2.70 2.55 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 26 T 8.52 5.01 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 1.24 0.00 0.00 27 V 8.77 4.12 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 -0.51 0.00 0.00 0.50 0.00 0.00 28 Q 8.09 4.90 0.00 2.03 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.74 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 29 W 8.82 4.85 0.00 2.42 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 30 V 8.60 4.68 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 1.01 0.00 0.00 0.87 0.00 0.00 31 N 9.18 4.44 0.00 3.10 2.86 0.00 0.00 6.25 7.35 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 32 N 9.24 4.87 0.00 2.76 3.04 0.00 0.00 7.03 6.20 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 33 K 7.29 4.65 0.00 1.80 1.62 0.00 1.98 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.45 7.81 34 L 8.66 3.87 0.00 1.80 1.73 0.93 0.78 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 35 A 7.92 4.01 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 36 P 0.00 4.97 0.00 1.50 0.74 0.00 3.27 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.62 0.00 37 H 8.27 5.19 0.00 3.10 3.21 0.00 5.58 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.51 5.23 0.00 2.90 2.84 0.00 0.00 5.30 7.68 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 39 V 8.25 4.70 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.21 0.00 0.00 40 V 8.43 4.31 1.58 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 -0.25 0.00 0.00 0.61 0.00 0.00 41 V 8.36 4.43 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 1.01 0.00 0.00 0.90 0.00 0.00 42 E 8.91 3.88 0.00 2.13 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 2.67 2.69 0.00 *49 G 8.87 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 0.00 0.00 0.00 *52 Q 7.42 4.81 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.84 0.00 0.00 0.00 0.00 0.00 2.68 2.52 0.00 53 P 0.00 4.25 0.00 2.14 2.06 0.00 3.58 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 54 E 8.08 4.03 0.00 2.00 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 0.00 2.16 2.20 0.00 55 L 7.55 4.33 0.00 1.43 1.33 0.02 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.27 4.41 0.00 3.86 3.70 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 57 H 8.60 4.42 0.00 2.29 2.04 0.00 5.59 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.99 3.95 0.00 1.66 1.77 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.31 7.81 59 D 7.52 4.25 0.00 2.47 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 *62 L 8.43 4.08 0.00 1.57 1.03 0.88 0.74 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 63 A 8.63 4.95 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.12 4.34 0.00 3.10 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 65 S 7.89 4.74 0.00 4.01 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 66 P 0.00 4.59 0.00 2.08 2.02 0.00 3.98 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 2.06 2.00 0.00 67 G 9.16 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 68 E 8.03 4.24 0.00 2.29 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 2.47 2.38 0.00 69 T 8.71 5.48 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 1.25 0.00 0.00 70 F 7.71 5.15 0.00 3.14 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 71 E 8.96 5.64 0.00 1.90 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 0.00 2.22 2.37 0.00 72 A 9.11 4.74 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 73 T 8.39 4.88 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 1.25 0.00 0.00 74 F 9.02 4.40 0.00 2.93 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 75 S 8.77 4.56 0.00 3.98 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 76 E 7.97 4.73 0.00 2.18 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 0.00 2.27 2.37 0.00 77 P 0.00 4.53 0.00 2.08 2.04 0.00 3.80 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 78 G 7.46 4.14 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 0.00 79 T 7.54 4.97 4.17 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 1.22 0.00 0.00 80 Y 9.46 4.81 0.00 2.97 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 81 T 8.74 5.27 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 82 Y 8.76 5.54 0.00 2.91 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 83 Y 8.46 5.41 0.00 3.24 3.08 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 84 C 9.05 5.38 0.00 3.22 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 85 E 10.02 4.17 0.00 2.07 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 2.60 2.45 0.00 86 P 0.00 4.19 0.00 1.70 1.99 0.00 3.84 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 1.93 1.91 0.00 87 H 7.64 4.94 0.00 3.27 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.10 3.96 0.00 1.99 1.89 0.00 2.62 0.00 0.00 2.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 89 G 8.11 3.54 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 0.00 0.00 0.00 90 A 7.88 4.29 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 91 G 8.22 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 92 M 7.68 4.37 0.00 2.20 1.90 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.93 0.00 93 V 8.05 5.08 2.11 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 0.89 0.00 0.00 0.98 0.00 0.00 94 G 8.64 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 95 K 9.03 5.28 0.00 1.80 1.62 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.46 7.81 96 I 9.23 4.97 1.79 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.85 0.35 0.00 0.00 97 V 8.89 4.68 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 0.88 0.00 0.00 0.95 0.00 0.00 98 V 9.14 4.79 2.22 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 0.85 0.00 0.00 1.10 0.00 0.00 99 Q 9.27 4.27 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.