NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2623 8.1693 120.9831 55.0997 42.8003 177.1379 3 D 4.5453 7.5863 120.3798 52.0379 42.1053 175.4841 4 Q 3.9634 8.7110 120.0880 59.4042 29.0698 180.3991 5 Q 3.9847 8.0829 119.8950 59.3190 29.0126 178.1697 6 T 3.9159 7.6963 116.0886 66.7656 68.4746 176.4667 7 I 3.5670 7.6665 121.4709 64.4981 37.1444 178.1687 8 N 4.2682 8.6534 117.7093 56.5446 38.5039 177.5572 9 I 3.7489 8.3931 122.1003 64.2129 37.1269 178.6503 10 I 3.1551 8.3309 121.8221 64.2756 36.7046 178.6193 11 K 3.9731 8.4779 118.1007 59.4547 31.8741 178.9580 12 A 4.1918 8.0571 120.6672 54.6444 18.5881 178.9149 13 T 4.3803 7.9672 106.8610 63.0607 69.6224 177.1031 14 V 3.7657 7.9788 121.7071 65.9935 31.5863 176.0860 15 P 4.0548 0.0000 0.0000 65.6772 30.9310 178.7659 16 V 3.6666 7.6250 115.7638 65.7726 31.7454 177.7239 17 L 4.0660 8.0978 118.9767 57.7908 41.5051 179.3853 18 K 3.8390 8.8375 119.5003 59.7875 31.7407 179.1387 19 E 4.0254 8.0110 117.4019 58.5880 29.6307 177.9364 20 H 4.9423 8.2074 116.1940 55.0143 30.0713 176.9266 21 G 3.8507 7.8647 110.2594 48.2855 0.0000 176.1155 22 V 3.6400 7.8476 121.3372 64.8962 31.0885 178.4457 23 T 3.9513 7.7086 116.9896 65.7562 68.3347 176.6263 24 I 3.6451 7.6231 121.5187 64.6410 37.1319 178.5707 25 T 3.8872 8.0933 116.8353 66.9401 67.9921 176.8506 26 T 3.9843 8.1380 111.7234 65.1785 68.7875 176.6949 27 T 3.8896 8.3290 119.1059 66.0694 68.3870 176.2874 28 F 3.9616 8.4353 122.9131 61.6890 39.3702 176.8286 29 Y 3.1074 7.7212 116.0795 60.3777 37.6820 178.3580 30 K 3.8277 7.9444 120.5219 59.8412 32.3218 178.6656 31 N 4.2774 7.9607 116.5856 55.8601 38.5215 177.0884 32 L 3.6832 7.5265 122.0822 58.3637 41.8446 179.2787 33 F 4.6186 7.4078 115.9357 60.3097 38.8479 177.4980 34 A 4.1397 7.7468 119.5687 55.1534 18.4241 179.4664 35 K 4.1381 7.9472 114.3413 57.6965 33.9109 177.3672 36 H 5.1277 7.9091 115.1471 51.6420 29.7043 172.2393 37 P 4.3209 0.0000 0.0000 65.3914 31.3845 178.0834 38 E 4.1050 8.2527 115.8535 58.9474 29.4694 178.7511 39 V 4.0766 8.1022 112.5196 62.7114 31.8685 178.1256 40 R 3.7866 7.8722 118.8065 58.9092 29.6712 176.9222 41 P 4.3868 0.0000 0.0000 64.9365 31.3912 178.1015 42 L 4.1043 8.1618 117.5511 57.5765 41.9058 176.3521 43 F 4.8340 8.0537 117.2980 55.7095 41.4539 174.4780 *53 Q 4.0217 8.2953 118.8380 55.7223 29.5519 173.8920 54 P 4.5101 0.0000 0.0000 62.4568 30.0125 177.0770 55 K 4.0530 8.5850 123.3966 58.8557 32.3345 178.0748 56 A 4.4011 7.9885 119.8924 52.1193 19.2538 178.2326 57 L 3.9298 8.1381 118.7821 58.5886 41.9414 179.0626 58 A 3.6314 7.6368 119.5589 55.3312 18.3756 179.3436 59 M 4.0173 7.9241 116.7045 58.8199 31.9769 178.9774 60 T 3.9204 8.3610 116.4414 66.4899 68.5009 176.8645 61 V 3.7057 7.5917 120.4060 65.9566 31.4774 178.1031 62 L 4.1613 7.7824 118.2705 57.7732 41.2334 179.3445 63 A 4.0177 8.0974 119.6233 55.1668 18.7609 179.2612 64 A 4.1230 8.5394 119.5510 55.1229 18.4378 179.6845 65 A 4.0108 8.5266 120.1127 55.3691 18.3277 179.8217 66 Q 4.1626 8.3810 114.7543 58.3382 28.8950 177.2511 67 N 4.9339 7.7162 118.0916 52.9897 39.4835 176.6565 68 I 3.7121 7.4672 123.8209 64.0278 38.1585 176.9117 69 E 4.1466 8.0458 117.8923 57.8646 30.4518 175.8664 70 N 5.0574 7.9288 117.1177 51.2755 39.1548 174.9045 71 L 3.9835 7.9059 121.5496 57.8387 42.1640 177.5351 72 P 4.2023 0.0000 0.0000 65.5520 30.9977 178.2936 73 A 4.1260 7.8750 118.6966 54.0652 18.5196 178.5309 74 I 4.1874 7.7821 110.8735 60.8892 38.0065 177.2958 75 L 3.8471 7.5985 122.7884 58.0548 41.3718 177.5246 76 P 4.2545 0.0000 0.0000 65.4489 31.2449 178.5901 77 A 3.9811 7.8392 119.0482 55.1478 18.4704 179.4584 78 V 3.3534 7.6428 116.8524 66.0849 31.2988 178.1687 79 K 3.8617 8.3780 119.5870 59.2701 31.5355 178.7281 80 K 3.9282 7.7868 120.0746 59.5155 32.1537 178.8694 81 I 3.7152 7.9713 119.8495 64.3255 37.0349 177.9355 82 A 4.4746 8.3443 123.4071 54.7991 18.1451 179.9165 83 V 3.5504 7.6032 116.1968 66.0212 31.5356 178.4563 84 K 4.0657 7.7065 117.3231 59.5372 31.9030 179.0740 85 H 4.3072 8.7324 117.0091 59.2033 28.2598 177.6924 86 C 3.9797 8.4362 118.9400 62.6524 27.6166 176.1318 87 Q 4.0997 8.0160 118.8933 58.7394 28.3893 178.1033 88 A 4.2737 7.7889 119.5866 52.7002 18.6603 178.0419 89 G 3.9177 7.7784 103.9949 45.7190 0.0000 173.9609 90 V 3.7036 7.8830 119.1947 62.4370 32.1630 175.2210 91 A 4.9652 8.7505 128.5280 49.8968 21.9865 176.9757 92 A 4.3189 8.7202 121.2433 55.2984 18.1530 180.1514 93 A 4.1348 7.9742 117.7816 55.1133 18.9232 178.9072 94 H 4.4372 8.3479 114.9380 58.4893 28.6546 177.2618 95 Y 4.0900 8.0413 118.9462 60.8443 37.6967 177.0396 96 P 4.4328 0.0000 0.0000 65.4556 31.4647 178.8781 97 I 3.6623 7.6979 118.4455 64.3235 37.1103 178.3664 98 V 3.7603 7.7855 118.9739 65.8497 31.3346 178.2770 99 G 2.6545 8.1548 105.6325 47.4602 0.0000 175.3768 100 Q 3.9360 8.2977 122.6972 59.0338 29.0712 178.3749 101 E 3.9906 8.1261 119.4431 58.8925 29.3409 179.0985 102 L 3.8801 8.1266 120.7202 58.2340 42.1014 179.0454 103 L 3.9955 7.8866 119.0149 57.5836 41.5037 179.8315 104 G 3.5264 7.9795 105.1176 47.7474 0.0000 175.5987 105 A 3.9798 7.9924 123.5397 54.9535 18.4040 179.8470 106 I 3.5171 7.7857 118.4483 64.0593 37.0727 178.6580 107 K 3.8810 8.2324 120.9005 59.3225 31.8438 178.2845 108 E 3.8670 7.7369 118.2977 59.5632 29.5926 178.8076 109 V 3.6309 7.3394 116.2599 65.9096 31.6323 177.6899 110 L 4.1055 7.9683 118.1088 54.5108 42.0646 179.2753 111 G 3.7641 8.7091 106.7002 46.2121 0.0000 174.8603 112 D 4.2925 9.3102 121.9519 57.2911 40.4015 177.6047 113 A 4.0972 7.8989 118.1383 53.7016 18.9618 177.4021 114 A 4.3833 7.7685 121.1424 51.5499 17.6528 177.6803 115 T 4.1440 7.4919 112.8576 61.5028 70.1926 175.5580 116 D 4.4114 8.6815 122.1793 57.7697 40.7680 178.8182 117 D 4.3938 7.7251 119.2333 56.8272 40.7121 178.9750 118 I 3.8436 7.7255 120.8555 64.2971 37.2249 178.2373 119 L 4.1447 7.9608 119.3199 58.0614 41.5624 179.1432 120 D 4.4036 8.5478 118.8824 57.2528 40.6436 178.7801 121 A 3.9346 7.8282 120.8294 55.0660 18.3646 179.7805 122 W 4.0168 8.4890 117.6978 59.7165 29.0534 179.0655 123 G 3.7611 8.5244 105.9469 47.5773 0.0000 175.9712 124 K 3.9831 8.1638 120.6062 59.1972 32.2148 179.0153 125 A 3.9076 8.1844 121.3273 55.5668 18.2320 178.9745 126 Y 4.1640 8.6651 118.3745 60.7793 38.8109 178.4991 127 G 3.6622 8.4258 106.6718 47.8865 0.0000 175.7849 128 V 3.5666 7.6816 120.6794 65.7717 31.4410 178.2379 129 I 3.7603 7.6825 119.1956 64.2310 36.9069 178.2615 130 A 3.7908 8.0479 122.1123 55.1437 18.1154 179.3200 131 D 4.2659 8.1016 117.4304 57.3821 40.8379 179.3505 132 V 3.4568 7.4403 117.9161 65.9984 31.5843 178.1794 133 F 3.8854 7.9948 117.2946 60.4641 38.6894 177.5018 134 I 3.5992 7.8184 119.8416 64.5989 36.9181 178.4835 135 Q 3.9374 7.9229 118.4852 58.9370 28.5647 178.9178 136 V 3.5423 7.6913 119.1730 66.1438 31.4157 177.9649 137 E 3.8508 8.7270 118.4639 59.2579 29.2134 179.0183 138 A 4.2461 8.8112 121.2960 55.5591 18.4109 179.4804 139 D 4.3345 8.2898 117.2638 57.3037 40.6303 179.0126 140 L 4.0481 7.6278 119.0516 57.8054 41.8833 178.7555 141 Y 4.3995 8.3777 116.9382 61.0599 37.3068 178.4004 142 A 4.0550 8.4591 121.9728 55.4368 18.3436 179.6939 143 Q 4.0776 8.4338 114.9394 58.4336 28.7863 178.4700 144 A 4.1804 7.8906 121.1491 53.9266 18.4122 177.6832 145 V 3.9778 7.3158 114.2931 61.4954 32.0768 175.4926 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 L 8.17 4.26 0.00 1.75 1.84 0.91 0.43 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 3 D 7.59 4.55 0.00 2.95 2.80 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 4 Q 8.71 3.96 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 5 Q 8.08 3.98 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 6 T 7.70 3.92 4.39 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 1.07 0.00 0.00 7 I 7.67 3.57 2.03 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 1.43 1.06 0.86 0.00 0.00 8 N 8.65 4.27 0.00 2.83 2.85 0.00 0.00 7.06 7.08 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 9 I 8.39 3.75 1.90 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 1.51 1.22 0.91 0.00 0.00 10 I 8.33 3.16 1.67 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.50 0.52 0.00 0.00 11 K 8.48 3.97 0.00 1.67 1.88 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.55 7.81 12 A 8.06 4.19 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 13 T 7.97 4.38 4.46 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 1.39 0.00 0.00 14 V 7.98 3.77 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 1.29 0.00 0.00 1.16 0.00 0.00 15 P 0.00 4.05 0.00 2.23 2.12 0.00 3.89 0.00 0.00 3.80 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 16 V 7.62 3.67 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 0.98 0.00 0.00 17 L 8.10 4.07 0.00 1.73 1.46 -0.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.84 3.84 0.00 1.87 1.87 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.71 7.81 19 E 8.01 4.03 0.00 2.11 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 2.30 2.43 0.00 20 H 8.21 4.94 0.00 3.18 3.27 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 7.86 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 22 V 7.85 3.64 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 0.82 0.00 0.00 0.94 0.00 0.00 23 T 7.71 3.95 4.37 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 1.19 0.00 0.00 24 I 7.62 3.65 1.91 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.65 0.75 0.00 0.00 25 T 8.09 3.89 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 1.46 0.00 0.00 26 T 8.14 3.98 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 1.27 0.00 0.00 27 T 8.33 3.89 4.42 0.00 0.00 0.00 0.00 0.00 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 28 F 8.44 3.96 0.00 2.92 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 29 Y 7.72 3.11 0.00 2.97 2.67 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 30 K 7.94 3.83 0.00 1.95 1.98 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.50 7.81 31 N 7.96 4.28 0.00 2.62 2.91 0.00 0.00 6.74 6.67 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 32 L 7.53 3.68 0.00 0.68 0.80 0.66 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.41 4.62 0.00 3.09 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 34 A 7.75 4.14 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 35 K 7.95 4.14 0.00 1.64 1.59 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.40 7.81 36 H 7.91 5.13 0.00 3.29 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.32 0.00 2.16 2.11 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 38 E 8.25 4.10 0.00 2.20 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 2.44 2.41 0.00 39 V 8.10 4.08 2.31 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 0.87 0.00 0.00 1.22 0.00 0.00 40 R 7.87 3.79 0.00 1.85 1.72 0.00 3.14 0.00 0.00 2.99 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.68 0.00 41 P 0.00 4.39 0.00 2.03 2.12 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 42 L 8.16 4.10 0.00 1.52 1.40 0.76 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.05 4.83 0.00 3.05 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 *53 Q 8.30 4.02 0.00 1.58 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 7.24 0.00 0.00 0.00 0.00 0.00 2.02 2.23 0.00 54 P 0.00 4.51 0.00 2.42 2.17 0.00 3.96 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.32 0.00 55 K 8.58 4.05 0.00 1.78 1.94 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.40 7.81 56 A 7.99 4.40 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 57 L 8.14 3.93 0.00 2.13 1.74 1.24 0.91 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 58 A 7.64 3.63 0.87 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 0.00 0.00 59 M 7.92 4.02 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.56 0.00 60 T 8.36 3.92 4.46 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 1.32 0.00 0.00 61 V 7.59 3.71 2.23 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 1.34 0.00 0.00 1.02 0.00 0.00 62 L 7.78 4.16 0.00 1.91 1.75 0.81 0.90 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 63 A 8.10 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.54 4.12 1.48 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 0.00 0.00 65 A 8.53 4.01 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 0.00 0.00 0.00 0.00 0.00 66 Q 8.38 4.16 0.00 2.26 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.35 0.00 0.00 0.00 0.00 0.00 2.57 2.43 0.00 67 N 7.72 4.93 0.00 3.00 2.84 0.00 0.00 6.45 6.81 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 68 I 7.47 3.71 1.99 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 1.22 0.57 0.89 0.00 0.00 69 E 8.05 4.15 0.00 1.98 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 2.29 2.26 0.00 70 N 7.93 5.06 0.00 2.70 2.64 0.00 0.00 7.01 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 71 L 7.91 3.98 0.00 1.69 1.68 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.20 0.00 2.13 2.08 0.00 3.57 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 2.09 2.13 0.00 73 A 7.88 4.13 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 74 I 7.78 4.19 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.66 0.92 0.00 0.00 75 L 7.60 3.85 0.00 1.81 1.72 0.86 0.94 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 76 P 0.00 4.25 0.00 2.14 2.09 0.00 3.60 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 2.10 2.13 0.00 77 A 7.84 3.98 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 78 V 7.64 3.35 1.98 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 0.36 0.00 0.00 0.54 0.00 0.00 79 K 8.38 3.86 0.00 1.79 1.89 0.00 1.53 0.00 0.00 1.52 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.45 7.81 80 K 7.79 3.93 0.00 1.86 1.80 0.00 1.57 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.53 7.81 81 I 7.97 3.72 2.22 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.58 0.87 0.00 0.00 82 A 8.34 4.47 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 83 V 7.60 3.55 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 1.01 0.00 0.00 0.95 0.00 0.00 84 K 7.71 4.07 0.00 2.04 1.86 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.65 7.81 85 H 8.73 4.31 0.00 3.44 3.39 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.44 3.98 0.00 2.71 2.52 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 87 Q 8.02 4.10 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 88 A 7.79 4.27 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 89 G 7.78 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 90 V 7.88 3.70 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 0.73 0.00 0.00 0.79 0.00 0.00 91 A 8.75 4.97 1.17 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 0.00 0.00 92 A 8.72 4.32 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 93 A 7.97 4.13 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 94 H 8.35 4.44 0.00 3.25 3.21 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 8.04 4.09 0.00 3.36 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 96 P 0.00 4.43 0.00 2.23 2.19 0.00 3.79 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 97 I 7.70 3.66 1.99 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 1.44 0.88 0.56 0.00 0.00 98 V 7.79 3.76 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 1.17 0.00 0.00 0.97 0.00 0.00 99 G 8.15 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 0.00 0.00 0.00 100 Q 8.30 3.94 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 101 E 8.13 3.99 0.00 1.93 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 2.37 2.20 0.00 102 L 8.13 3.88 0.00 1.66 1.52 0.76 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 103 L 7.89 4.00 0.00 1.81 1.68 1.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 104 G 7.98 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.99 3.98 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.79 3.52 1.82 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.75 0.57 0.00 0.00 107 K 8.23 3.88 0.00 1.88 1.92 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 108 E 7.74 3.87 0.00 2.14 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 0.00 2.29 2.30 0.00 109 V 7.34 3.63 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 0.77 0.00 0.00 0.86 0.00 0.00 110 L 7.97 4.11 0.00 1.72 1.77 0.92 0.69 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 0.00 111 G 8.71 3.76 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 0.00 0.00 0.00 112 D 9.31 4.29 0.00 2.67 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 0.00 113 A 7.90 4.10 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 0.00 114 A 7.77 4.38 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 0.00 115 T 7.49 4.14 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 0.00 116 D 8.68 4.41 0.00 2.72 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.73 4.39 0.00 2.85 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 0.00 118 I 7.73 3.84 2.12 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 1.59 0.63 1.11 0.00 0.00 119 L 7.96 4.14 0.00 1.89 1.77 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.55 4.40 0.00 2.69 2.74 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 0.00 121 A 7.83 3.93 1.27 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 0.00 0.00 122 W 8.49 4.02 0.00 3.48 3.33 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 0.00 123 G 8.52 3.76 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 0.00 0.00 0.00 124 K 8.16 3.98 0.00 1.98 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.75 7.81 125 A 8.18 3.91 1.19 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 0.00 0.00 126 Y 8.67 4.16 0.00 3.27 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 0.00 127 G 8.43 3.66 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 0.00 0.00 0.00 128 V 7.68 3.57 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 0.99 0.00 0.00 0.90 0.00 0.00 129 I 7.68 3.76 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.33 1.06 0.00 0.00 130 A 8.05 3.79 1.02 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 0.00 0.00 131 D 8.10 4.27 0.00 2.80 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 0.00 132 V 7.44 3.46 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 0.80 0.00 0.00 0.92 0.00 0.00 133 F 7.99 3.89 0.00 3.06 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 0.00 134 I 7.82 3.60 1.69 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 -0.05 0.88 0.00 0.00 135 Q 7.92 3.94 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 136 V 7.69 3.54 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 0.93 0.00 0.00 0.82 0.00 0.00 137 E 8.73 3.85 0.00 2.31 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 0.00 2.31 2.41 0.00 138 A 8.81 4.25 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.29 4.33 0.00 2.91 2.72 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 0.00 0.00 0.00 0.00 140 L 7.63 4.05 0.00 1.66 1.56 0.88 0.91 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 0.00 141 Y 8.38 4.40 0.00 3.17 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 0.00 142 A 8.46 4.06 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 0.00 143 Q 8.43 4.08 0.00 1.99 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 144 A 7.89 4.18 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 0.00 145 V 7.32 3.98 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 0.72 0.00 0.00 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.