NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2721 0.0000 0.0000 61.8014 31.6740 176.1433 3 K 3.7884 8.6315 123.9539 55.4497 30.9331 174.4354 4 K 4.0376 8.2020 124.0710 54.8702 34.4212 174.4563 5 V 4.8168 8.0456 125.7174 60.0017 34.8833 173.9415 6 L 4.9424 8.2421 125.6285 52.9350 46.1819 175.1499 7 T 4.6932 8.3942 109.1436 60.3409 70.9261 173.1435 8 G 4.2858 9.0769 113.3649 44.4672 0.0000 170.0066 9 V 4.7678 8.3772 119.3570 60.8824 33.6696 175.2652 10 V 4.1166 8.9225 128.6272 63.4829 31.6586 176.4399 11 V 4.1386 8.3320 121.3165 61.9641 33.4704 176.4597 12 S 4.5908 7.5968 114.0996 56.9544 65.9074 174.5917 13 D 5.1189 8.5642 126.7353 53.2239 39.7430 176.9212 14 K 4.3826 7.7202 116.4219 58.2261 32.0541 176.9204 15 M 4.5140 7.1993 117.6569 53.3944 34.2170 175.8488 16 Q 4.0494 8.4397 119.6884 56.6264 28.9897 176.5469 17 K 4.0392 8.6626 120.0548 57.3669 30.4906 174.7698 18 T 5.2794 7.4016 112.5976 62.2356 72.8853 173.7423 19 V 4.7196 8.4960 114.9008 60.3632 36.7602 174.3857 20 T 4.5922 9.1374 122.3031 63.1181 69.9230 173.8737 21 V 4.6647 9.3641 127.8079 60.7939 34.1236 174.1436 22 L 4.5801 8.5199 131.9265 54.7534 43.3264 175.5554 23 V 4.5865 9.7893 127.4288 61.0908 33.7168 174.4360 24 E 4.6554 8.8298 128.9489 56.0933 31.0149 174.7718 25 R 4.7289 7.9147 122.1043 55.5753 34.7089 173.2745 26 Q 5.0991 8.0982 113.0116 56.1966 30.4278 173.3126 27 F 5.2359 8.8787 118.8119 53.9781 41.8489 172.5323 28 P 4.7723 0.0000 0.0000 62.3076 32.3439 176.0139 29 H 3.8135 9.4660 124.2678 55.6968 29.9857 174.6064 30 P 4.1249 0.0000 0.0000 65.0424 31.4685 176.3946 31 L 4.6385 7.9251 115.3651 55.2928 45.6321 175.7769 32 Y 4.9791 8.2977 115.2531 57.8130 38.8950 178.3858 33 G 3.6951 8.1024 106.9879 45.1315 0.0000 174.5887 34 K 4.9093 7.6670 117.3119 52.0814 32.4842 175.4891 35 V 4.2138 8.5138 120.8915 61.5043 32.3966 175.6886 36 I 4.8052 9.1318 118.2413 59.1231 40.9093 174.7532 37 K 4.8720 8.6538 122.7818 55.9603 34.0198 176.7273 38 R 4.4815 8.2615 123.2515 55.8292 32.9534 174.3319 39 S 4.9823 8.6988 121.6650 57.6329 64.8084 173.3950 40 K 4.5600 8.7527 121.1284 55.0159 35.9324 174.6634 41 K 4.8276 8.4219 126.0214 55.2509 33.5002 175.3703 42 Y 4.6088 8.9683 122.8118 56.0488 41.5849 175.0024 43 L 4.9230 8.6073 123.0493 53.6774 42.6835 175.5808 44 A 4.9936 8.9693 127.3300 50.3738 21.6621 175.4200 45 H 4.5062 9.1789 122.8475 56.4228 30.9439 173.6953 46 D 5.0453 8.9674 128.6113 51.1848 40.0151 174.5328 47 P 4.2204 0.0000 0.0000 64.5331 31.5867 177.9160 48 E 4.3775 7.6074 115.4926 55.9700 30.1964 176.3291 49 E 3.9564 7.7302 119.1494 57.2931 28.2710 175.4612 50 K 4.2137 8.1893 121.6762 58.6980 34.6602 176.6467 51 Y 4.1206 8.2899 119.1270 57.0848 36.7854 175.3576 52 K 4.5742 8.0335 127.5135 55.7937 35.0175 176.4606 53 L 4.0302 8.4002 120.3784 56.6488 42.1774 177.8838 54 G 3.9303 8.5611 112.6306 46.2261 0.0000 172.2297 55 D 4.9798 7.7018 119.1984 52.7196 43.2207 175.6536 56 V 4.4478 8.5598 123.2968 62.5865 32.8760 175.3894 57 V 5.0829 9.4772 120.5750 60.0882 36.7646 173.6606 58 E 5.2279 8.7641 120.1418 54.6313 32.6750 175.6530 59 I 4.8482 8.2357 115.7354 59.1347 41.3547 173.9009 60 I 4.0202 8.2092 125.1642 58.9595 40.1973 174.0019 61 E 2.8215 8.0471 129.4774 56.9555 29.4159 176.3075 62 S 4.7231 8.1743 123.5352 56.6241 65.4214 174.0464 63 R 4.2440 8.7187 120.8604 55.5327 30.6247 173.4757 64 P 4.1829 0.0000 0.0000 60.9731 32.6245 175.7224 65 I 4.5669 7.9257 119.3678 60.9123 41.6100 175.9842 66 S 4.7682 8.3081 115.3248 58.5416 64.3429 175.9881 67 K 4.5123 8.0346 127.1327 59.4674 30.3466 174.9750 68 R 4.0612 8.9014 125.8497 55.4811 28.7685 175.2808 69 K 4.5598 9.2263 119.1378 55.6613 32.6272 175.1522 70 R 4.8969 8.3351 122.7213 55.4147 32.8214 174.6818 71 F 5.4366 8.2337 117.3819 55.9742 43.3666 173.7985 72 R 4.9055 8.4102 121.0571 53.9919 33.1306 175.7377 73 V 3.5454 7.5994 121.6707 63.4350 31.5361 175.2816 74 L 4.3718 10.0928 131.0951 56.2121 42.2493 176.2412 75 R 5.4588 7.2810 112.7994 55.6641 32.6720 172.9528 76 L 4.6373 8.8261 123.7746 55.5546 42.3721 176.5903 77 V 4.2833 9.5574 125.4897 62.0249 32.5765 174.9149 78 E 5.4653 7.0366 125.0834 56.9584 32.2528 175.0530 79 S 4.9861 8.2362 117.9954 57.3484 65.7524 174.1988 80 G 3.9739 8.3755 107.1833 45.6361 0.0000 174.8696 81 R 4.4281 7.5062 120.1581 56.4441 28.4685 177.5982 82 M 4.3078 7.7255 118.9215 57.4651 32.3908 178.1544 83 D 4.3988 8.0828 118.9445 56.4621 39.7134 178.2933 84 L 4.1199 7.5791 118.9740 57.6594 41.6842 179.5695 85 V 3.7232 7.9251 117.4448 66.0855 30.9474 177.8635 86 E 3.9649 8.0179 117.6617 59.7093 29.6575 178.4869 87 K 3.7974 8.0876 117.9592 59.8981 31.5975 178.0748 88 Y 4.2187 8.0729 118.4282 61.1772 38.5854 178.2476 89 L 4.1591 7.9738 115.3588 55.3913 41.7355 177.8127 90 I 4.1967 7.5977 121.2820 62.6345 38.6883 177.7587 91 R 3.0820 7.6636 118.7533 58.7600 29.6539 177.4684 92 R 3.6075 6.9397 114.9700 57.1119 30.0844 177.0043 93 Q 4.2918 8.4723 117.9865 58.0446 29.3528 177.5495 94 N 4.2758 7.7864 117.2796 56.8459 38.7102 176.7613 95 Y 4.2714 6.9417 118.1586 61.3743 37.6841 178.4691 96 E 3.9795 7.7426 118.8234 59.2993 29.7892 178.3550 97 S 4.5999 8.8171 112.7768 58.6581 63.3147 174.4506 98 L 4.5909 7.6326 121.6477 54.5350 42.0278 177.3734 99 S 4.7717 7.5742 115.8646 58.0756 64.8771 174.6606 100 K 4.4176 8.2317 115.5841 56.2085 33.2214 176.5220 *101 R 4.1415 7.8310 121.3101 56.5294 30.0213 177.3763 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 P 0.00 4.27 0.00 2.03 2.08 0.00 3.64 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 1.91 2.09 0.00 3 K 8.63 3.79 0.00 1.73 1.82 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.44 7.81 4 K 8.20 4.04 0.00 1.86 1.77 0.00 1.50 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.54 1.49 7.81 5 V 8.05 4.82 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 1.14 0.00 0.00 0.80 0.00 0.00 6 L 8.24 4.94 0.00 1.45 1.46 0.68 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.39 4.69 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 1.19 0.00 0.00 8 G 9.08 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 0.00 0.00 0.00 0.00 9 V 8.38 4.77 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 0.92 0.00 0.00 0.94 0.00 0.00 10 V 8.92 4.12 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 0.96 0.00 0.00 1.09 0.00 0.00 11 V 8.33 4.14 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 0.24 0.00 0.00 0.56 0.00 0.00 12 S 7.60 4.59 0.00 3.90 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 13 D 8.56 5.12 0.00 2.91 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 14 K 7.72 4.38 0.00 1.93 1.90 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.43 7.81 15 M 7.20 4.51 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 16 Q 8.44 4.05 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.29 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 17 K 8.66 4.04 0.00 2.06 1.90 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.41 7.81 18 T 7.40 5.28 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 1.28 0.00 0.00 19 V 8.50 4.72 2.09 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 0.73 0.00 0.00 0.98 0.00 0.00 20 T 9.14 4.59 4.16 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 1.15 0.00 0.00 21 V 9.36 4.66 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 1.03 0.00 0.00 0.97 0.00 0.00 22 L 8.52 4.58 0.00 1.55 1.38 0.99 0.72 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 23 V 9.79 4.59 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 0.95 0.00 0.00 1.11 0.00 0.00 24 E 8.83 4.66 0.00 2.03 1.83 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 2.27 2.31 0.00 25 R 7.91 4.73 0.00 1.84 1.74 0.00 2.78 0.00 0.00 3.03 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.42 0.00 26 Q 8.10 5.10 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 27 F 8.88 5.24 0.00 3.01 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 28 P 0.00 4.77 0.00 1.96 2.04 0.00 3.77 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 2.07 2.14 0.00 29 H 9.47 3.81 0.00 3.18 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.12 0.00 1.74 1.95 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 31 L 7.93 4.64 0.00 1.36 1.22 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.30 4.98 0.00 2.68 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 33 G 8.10 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 0.00 0.00 0.00 34 K 7.67 4.91 0.00 1.87 2.04 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.56 7.81 35 V 8.51 4.21 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 0.82 0.00 0.00 0.98 0.00 0.00 36 I 9.13 4.81 2.01 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.26 1.04 0.00 0.00 37 K 8.65 4.87 0.00 1.70 1.92 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.47 7.81 38 R 8.26 4.48 0.00 1.85 1.53 0.00 3.38 0.00 0.00 3.33 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 39 S 8.70 4.98 0.00 3.95 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 40 K 8.75 4.56 0.00 1.77 1.66 0.00 1.48 0.00 0.00 1.58 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.55 1.10 7.81 41 K 8.42 4.83 0.00 1.58 1.63 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.22 1.43 7.81 42 Y 8.97 4.61 0.00 2.87 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 43 L 8.61 4.92 0.00 1.71 1.64 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.97 4.99 1.21 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 45 H 9.18 4.51 0.00 3.28 3.24 0.00 5.74 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.97 5.05 0.00 2.71 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 47 P 0.00 4.22 0.00 2.22 2.12 0.00 3.65 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 48 E 7.61 4.38 0.00 2.10 1.99 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 2.26 2.22 0.00 49 E 7.73 3.96 0.00 2.01 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 2.28 2.31 0.00 50 K 8.19 4.21 0.00 1.78 1.96 0.00 1.55 0.00 0.00 1.87 0.00 0.00 3.24 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.62 1.50 7.81 51 Y 8.29 4.12 0.00 3.23 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.03 4.57 0.00 1.87 1.87 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.41 7.81 53 L 8.40 4.03 0.00 1.88 1.62 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.56 3.93 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 0.00 0.00 0.00 55 D 7.70 4.98 0.00 2.77 2.65 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 56 V 8.56 4.45 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 0.88 0.00 0.00 0.94 0.00 0.00 57 V 9.48 5.08 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 0.90 0.00 0.00 0.88 0.00 0.00 58 E 8.76 5.23 0.00 1.88 1.73 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 2.18 2.20 0.00 59 I 8.24 4.85 1.91 0.00 0.00 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 0.89 1.60 0.83 0.00 0.00 60 I 8.21 4.02 1.72 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 0.91 1.54 0.83 0.00 0.00 61 E 8.05 2.82 0.00 1.74 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 2.30 2.43 0.00 62 S 8.17 4.72 0.00 3.80 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 63 R 8.72 4.24 0.00 1.78 1.82 0.00 3.43 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 64 P 0.00 4.18 0.00 2.10 1.93 0.00 3.71 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 2.04 2.19 0.00 65 I 7.93 4.57 2.00 0.00 0.00 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 1.31 0.70 0.82 0.00 0.00 66 S 8.31 4.77 0.00 3.99 3.96 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 67 K 8.03 4.51 0.00 1.75 1.76 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.48 7.81 68 R 8.90 4.06 0.00 1.81 2.33 0.00 3.21 0.00 0.00 3.10 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.53 0.00 69 K 9.23 4.56 0.00 1.72 1.66 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.37 1.48 7.81 70 R 8.34 4.90 0.00 1.73 1.94 0.00 3.18 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 71 F 8.23 5.44 0.00 2.80 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 72 R 8.41 4.91 0.00 1.73 1.77 0.00 3.18 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 73 V 7.60 3.55 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 -0.61 0.00 0.00 0.57 0.00 0.00 74 L 10.09 4.37 0.00 1.59 1.62 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.28 5.46 0.00 1.95 2.01 0.00 3.20 0.00 0.00 3.23 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 76 L 8.83 4.64 0.00 1.49 1.57 1.17 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 77 V 9.56 4.28 2.10 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 0.79 0.00 0.00 1.00 0.00 0.00 78 E 7.04 5.47 0.00 2.19 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 0.00 2.14 2.04 0.00 79 S 8.24 4.99 0.00 3.93 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 80 G 8.38 3.97 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 0.00 0.00 0.00 81 R 7.51 4.43 0.00 1.87 1.92 0.00 3.30 0.00 0.00 3.65 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 82 M 7.73 4.31 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 83 D 8.08 4.40 0.00 2.84 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 84 L 7.58 4.12 0.00 1.93 1.78 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.93 3.72 2.24 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 1.22 0.00 0.00 1.06 0.00 0.00 86 E 8.02 3.96 0.00 2.25 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 2.56 2.50 0.00 87 K 8.09 3.80 0.00 1.90 1.85 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.65 7.81 88 Y 8.07 4.22 0.00 3.07 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 89 L 7.97 4.16 0.00 1.83 1.66 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.60 4.20 1.79 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 1.68 1.21 0.84 0.00 0.00 91 R 7.66 3.08 0.00 1.72 1.66 0.00 3.14 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 92 R 6.94 3.61 0.00 1.46 1.58 0.00 3.00 0.00 0.00 3.20 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 93 Q 8.47 4.29 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.59 0.00 0.00 0.00 0.00 0.00 2.24 2.60 0.00 94 N 7.79 4.28 0.00 2.54 2.80 0.00 0.00 7.14 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 95 Y 6.94 4.27 0.00 2.94 2.88 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 96 E 7.74 3.98 0.00 1.98 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 2.34 2.38 0.00 97 S 8.82 4.60 0.00 3.83 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 98 L 7.63 4.59 0.00 1.83 1.73 1.12 0.73 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 99 S 7.57 4.77 0.00 3.97 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 0.00 100 K 8.23 4.42 0.00 1.71 1.76 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.43 7.81 *101 R 7.83 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.