NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9216 8.3549 109.7334 45.4043 0.0000 174.7065 3 I 3.7083 7.6355 120.6235 60.6656 37.5450 174.5693 4 A 4.5482 8.8818 128.7590 50.8802 21.8424 175.5578 5 V 4.5144 7.9770 119.3638 60.8914 33.1091 175.9116 6 S 4.3264 8.8635 123.3799 58.3053 63.8236 175.2319 7 D 4.4116 8.9534 121.5965 57.8049 40.5615 178.7506 8 D 4.3775 7.7634 118.9381 57.1950 41.1548 177.7859 9 C 4.3263 8.0735 117.2580 63.1349 28.2391 176.2629 10 V 3.6922 7.8437 118.8330 66.0786 31.1995 177.4646 11 Q 3.9878 8.2318 119.1559 59.4603 28.9879 178.6097 12 K 4.2661 8.7777 119.7221 59.3267 31.9568 179.1257 13 F 4.3126 8.5747 121.1201 61.5783 39.2657 177.0265 14 N 4.1910 8.9453 116.3609 55.9988 38.1898 177.3532 15 E 3.9762 7.9189 119.6809 59.2062 29.6199 179.0224 16 L 3.8432 7.7722 120.1810 58.0844 41.9593 179.0061 17 K 3.7004 7.5915 118.3123 59.1733 32.1729 177.8123 18 L 4.0872 8.4176 119.0800 56.5551 41.9492 177.9894 19 G 3.9300 7.7148 103.6000 44.4468 0.0000 172.2968 20 H 4.4079 7.6479 113.6561 55.4761 26.3729 175.8119 21 Q 4.1555 7.9168 118.6420 58.0648 29.4207 177.1680 22 H 4.9347 7.6649 113.9556 53.7778 32.0707 174.0433 23 R 4.0050 8.1239 121.9478 59.3662 31.0855 175.5331 24 Y 5.5426 6.6785 114.0580 56.9323 41.2967 173.6962 25 V 4.8754 8.2637 119.5230 61.3590 35.0930 174.0760 26 T 5.0082 8.9952 117.6681 59.9915 71.8916 173.1511 27 F 5.6844 9.2881 121.5081 55.8961 43.3452 174.0968 28 K 5.3218 9.3580 120.5748 55.3812 36.7060 175.1849 29 M 4.6857 9.0299 121.7077 55.1437 31.4019 176.5640 30 N 4.6661 8.9975 120.9837 52.4388 38.5516 175.9640 31 A 4.2907 8.7129 122.0941 55.0682 18.5339 178.9668 32 S 4.3034 7.8031 109.9296 58.7690 63.6315 174.6725 33 N 4.4189 8.5938 117.7445 54.9298 36.2199 174.9189 34 T 4.5056 7.5953 113.3810 64.2840 71.0485 174.2073 35 E 5.2237 8.0896 120.6327 54.6482 33.8568 173.8548 36 V 4.7844 9.1295 124.6859 60.6908 33.4102 175.4680 37 V 4.9522 9.0721 117.5732 58.9727 35.9901 174.8716 38 V 3.9655 8.4766 122.2854 63.5471 31.4708 174.4702 39 E 4.3887 9.0923 129.9091 57.7070 30.1221 175.1531 40 H 5.0348 8.1539 115.0538 53.8375 33.2952 171.9760 41 V 4.2607 8.4257 122.0761 61.0428 32.6618 175.0390 42 G 2.9325 8.6680 117.0298 44.5943 0.0000 173.5835 43 G 3.8876 8.2993 110.8997 44.7407 0.0000 172.6386 44 P 4.2699 0.0000 0.0000 65.2724 31.2125 177.0396 45 N 4.7718 7.9227 113.1073 52.5370 38.7619 174.7456 46 A 4.2815 7.7236 122.0246 52.3224 19.0192 178.7843 47 T 4.6832 9.0677 112.3341 60.4637 71.9669 175.6139 48 Y 4.1744 8.7756 121.5445 61.1686 38.6293 177.8466 49 E 3.9043 8.3966 119.4692 59.3096 29.4949 178.2223 50 D 4.3430 7.7755 118.0413 57.4658 41.2803 178.2369 51 F 3.6944 7.7303 121.2576 60.6921 39.0990 177.1709 52 K 2.6902 7.1618 119.2574 59.0290 31.7156 178.9810 53 S 3.9933 7.8011 113.4839 60.2843 63.0344 174.8010 54 Q 4.3178 7.0609 119.0480 55.2285 29.2095 175.7294 55 L 3.7428 6.7543 119.7994 53.4866 41.8440 175.2657 56 P 4.4132 0.0000 0.0000 62.5966 31.8188 176.3391 57 E 4.3714 9.0567 122.5972 58.8534 29.8365 177.6012 58 R 4.6789 7.6924 117.4269 54.8240 31.1310 174.2144 59 D 4.5300 7.7927 114.1374 53.3328 44.3402 173.6159 60 C 4.4310 7.3556 120.2356 58.9672 29.7855 173.1443 61 R 4.5674 8.4371 118.3027 55.3696 35.0490 173.7719 62 Y 5.5035 8.8812 117.9734 57.0298 41.3476 174.7138 63 A 5.2689 8.4176 121.1988 51.3044 23.6687 175.3629 64 I 5.1586 9.0818 120.2950 59.5828 40.8856 174.4311 65 F 4.9551 9.3939 130.0955 56.4593 41.8376 174.0376 66 D 5.0759 8.7348 127.5720 53.5117 40.2547 173.2549 67 Y 4.5051 9.6148 125.7026 57.0508 39.9828 173.2273 68 E 5.2019 8.1102 128.0491 54.6109 31.9368 174.4519 69 F 4.9440 8.3623 120.0792 56.3589 42.1280 172.3481 70 Q 5.0177 8.8432 117.4586 54.0473 31.3619 175.9521 71 V 4.2445 8.3967 122.9280 61.8081 32.7598 174.9989 72 D 4.1712 9.5610 128.7756 55.5191 37.9951 175.7634 73 G 3.9590 8.5255 106.2507 45.6712 0.0000 174.6801 74 G 3.9587 7.7007 109.7007 44.1575 0.0000 173.2511 75 Q 4.4298 8.2959 120.6243 55.9894 29.6874 175.5518 76 R 4.5498 8.6193 120.0820 54.5082 34.7461 173.8806 77 N 5.5109 8.4626 117.9354 51.5766 42.7051 173.9321 78 K 4.8465 9.5713 122.3756 54.5742 35.9961 175.5942 79 I 4.3688 8.9912 126.7598 61.7463 37.9405 174.9926 80 T 5.1553 9.4506 125.4093 61.7819 70.9781 173.5434 81 F 5.2940 9.7924 129.4810 56.7518 41.5513 174.2290 82 I 4.9030 7.8985 126.8563 59.3486 40.3443 174.2179 83 L 4.7759 9.0303 129.9672 53.2856 43.8442 174.8400 84 W 5.1341 9.2377 135.0000 56.0019 31.6777 175.9153 85 A 4.8236 7.9583 130.1735 49.3271 18.8377 173.1247 86 P 4.3719 0.0000 0.0000 61.3832 32.2711 178.7816 87 D 4.2346 8.6243 121.5180 57.6989 40.8754 178.2467 88 S 4.2124 7.7991 112.7772 59.9541 63.3232 174.5091 89 A 4.3551 7.4981 122.8354 50.6516 18.7717 176.2171 90 P 4.4734 0.0000 0.0000 62.0485 33.5313 177.9383 91 I 3.6565 8.3011 121.1986 64.5352 36.9566 178.4247 92 K 3.8260 8.0515 119.7281 59.6957 32.0611 178.1779 93 S 4.2092 8.1068 112.5550 61.6976 62.3269 176.0743 94 K 3.9757 8.3919 121.1996 59.7939 31.7871 179.3615 95 M 4.1107 8.6774 119.2546 58.5563 31.8096 178.6122 96 M 4.0426 8.3719 119.1128 58.8755 32.2509 178.5565 97 Y 4.4961 8.1211 117.8273 60.4645 37.7411 178.5037 98 T 4.0187 7.9539 116.5884 66.7623 68.7326 176.7363 99 S 4.2930 8.0600 114.5562 61.0996 63.4769 175.6492 100 T 4.3243 7.7704 117.9196 63.7720 68.6711 176.6102 101 K 3.7310 8.0904 121.8773 60.4041 32.3320 178.7721 102 D 4.1909 7.9557 119.4779 56.6859 40.6501 178.3004 103 S 3.9358 7.9063 113.2109 61.4116 62.4731 175.9852 104 I 3.3543 7.2054 120.4617 63.8974 37.4791 177.7850 105 K 3.3022 7.1415 117.8077 59.4335 31.9034 179.2735 106 K 3.9775 7.9553 117.4791 58.9757 31.9571 179.0805 107 K 4.1235 7.3565 117.5789 57.3819 33.2179 178.3503 108 L 3.8304 6.9203 121.8914 51.2838 38.2694 175.2353 109 V 3.6659 7.0379 119.0534 63.9243 32.2314 175.3872 110 G 4.1798 9.2135 114.0019 45.2971 0.0000 173.8192 111 I 3.9744 7.3380 121.5268 61.8939 37.5143 175.6380 112 Q 4.6374 8.9960 123.6368 56.4520 30.8863 176.3440 113 V 4.6288 7.8412 117.2420 60.9650 35.4051 174.1237 114 E 5.3807 8.9528 125.4175 54.6599 32.2732 175.4013 115 V 4.5854 9.6872 124.5533 61.0149 35.2472 173.7335 116 Q 5.2530 8.8677 127.1019 54.3014 31.5698 174.2763 117 A 5.1126 9.1196 127.5124 50.6095 22.4733 176.0847 118 T 4.3122 10.3233 112.2125 60.8636 70.9929 173.6235 119 D 4.7998 7.6172 120.2712 53.0013 41.7417 175.1676 120 A 3.9773 8.9480 120.9608 55.8008 18.8730 179.0922 121 A 4.1728 8.1987 118.4185 55.3828 18.7045 179.6100 122 E 4.0196 8.4440 114.5232 58.9336 29.6080 177.7273 123 I 4.4023 7.6365 116.8778 60.7026 38.1710 176.0794 124 S 4.4636 7.6254 114.2527 57.5402 64.9605 174.5024 125 E 2.8436 8.4996 123.0952 58.9591 29.2947 178.2159 126 D 4.1778 8.0075 117.4372 57.6697 41.0356 178.3959 127 A 3.9386 7.9781 120.8443 54.9397 18.2737 179.8199 128 V 3.4184 7.7305 117.2255 65.8887 31.4837 178.4797 129 S 3.3501 8.0445 114.4168 60.8782 62.4950 175.8647 130 E 3.8481 7.5953 122.1338 59.2618 29.7139 178.9088 131 R 3.9850 7.5852 117.6196 59.1506 29.9157 178.9233 132 A 4.0107 7.7703 119.9964 54.8508 18.5230 179.2538 133 K 3.6291 8.0884 115.4675 57.6654 32.7774 177.4146 134 K 4.2917 7.6021 127.5714 57.6644 30.4923 176.4975 *135 D 4.4415 7.7783 120.3945 53.4656 40.4291 177.4024 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 G 8.35 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 3 I 7.64 3.71 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.67 0.88 0.00 0.00 4 A 8.88 4.55 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 5 V 7.98 4.51 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 0.72 0.00 0.00 0.81 0.00 0.00 6 S 8.86 4.33 0.00 3.98 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 0.00 7 D 8.95 4.41 0.00 2.73 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 8 D 7.76 4.38 0.00 3.01 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 9 C 8.07 4.33 0.00 3.22 2.86 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 0.00 0.00 0.00 10 V 7.84 3.69 2.32 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 0.97 0.00 0.00 0.91 0.00 0.00 11 Q 8.23 3.99 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 12 K 8.78 4.27 0.00 1.99 1.93 0.00 1.67 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.46 7.81 13 F 8.57 4.31 0.00 3.41 3.32 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 14 N 8.95 4.19 0.00 2.93 2.83 0.00 0.00 7.06 7.55 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 15 E 7.92 3.98 0.00 2.23 1.87 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 2.43 2.45 0.00 16 L 7.77 3.84 0.00 1.70 1.80 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.59 3.70 0.00 0.97 1.32 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.30 7.81 18 L 8.42 4.09 0.00 1.79 1.62 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.71 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 20 H 7.65 4.41 0.00 3.21 3.29 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 7.92 4.16 0.00 1.59 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.59 6.64 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 22 H 7.66 4.93 0.00 2.85 3.08 0.00 5.70 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 23 R 8.12 4.00 0.00 2.07 1.78 0.00 3.11 0.00 0.00 2.95 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.87 0.00 24 Y 6.68 5.54 0.00 2.93 2.37 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 25 V 8.26 4.88 1.93 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 0.64 0.00 0.00 0.91 0.00 0.00 26 T 9.00 5.01 4.38 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 1.54 0.00 0.00 27 F 9.29 5.68 0.00 3.35 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 28 K 9.36 5.32 0.00 1.94 1.98 0.00 1.38 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.52 7.81 29 M 9.03 4.69 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.46 0.00 30 N 9.00 4.67 0.00 2.88 3.00 0.00 0.00 6.58 6.89 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 31 A 8.71 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 32 S 7.80 4.30 0.00 4.20 4.13 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 33 N 8.59 4.42 0.00 2.85 2.97 0.00 0.00 6.86 7.45 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 34 T 7.60 4.51 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 1.21 0.00 0.00 35 E 8.09 5.22 0.00 2.00 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 2.30 2.47 0.00 36 V 9.13 4.78 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 0.80 0.00 0.00 1.12 0.00 0.00 37 V 9.07 4.95 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 0.76 0.00 0.00 1.03 0.00 0.00 38 V 8.48 3.97 2.13 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 0.68 0.00 0.00 1.18 0.00 0.00 39 E 9.09 4.39 0.00 2.00 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 1.71 2.13 0.00 40 H 8.15 5.03 0.00 3.26 3.18 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.43 4.26 1.93 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 0.32 0.00 0.00 0.79 0.00 0.00 42 G 8.67 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 0.00 0.00 0.00 43 G 8.30 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 0.00 0.00 0.00 44 P 0.00 4.27 0.00 2.14 2.13 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 45 N 7.92 4.77 0.00 2.71 2.86 0.00 0.00 6.86 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 46 A 7.72 4.28 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 47 T 9.07 4.68 4.40 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 1.30 0.00 0.00 48 Y 8.78 4.17 0.00 3.19 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 49 E 8.40 3.90 0.00 2.18 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 2.38 2.44 0.00 50 D 7.78 4.34 0.00 3.16 2.92 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 51 F 7.73 3.69 0.00 1.51 2.63 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 0.00 0.00 0.00 52 K 7.16 2.69 0.00 1.06 1.32 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.04 0.99 7.81 53 S 7.80 3.99 0.00 3.93 3.86 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 0.00 0.00 0.00 54 Q 7.06 4.32 0.00 1.91 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 55 L 6.75 3.74 0.00 0.80 0.32 -0.44 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.41 0.00 2.25 2.11 0.00 3.73 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 2.39 2.05 0.00 57 E 9.06 4.37 0.00 2.02 2.13 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 2.36 2.37 0.00 58 R 7.69 4.68 0.00 1.81 2.01 0.00 3.13 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 59 D 7.79 4.53 0.00 2.59 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 60 C 7.36 4.43 0.00 1.23 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 0.00 0.00 0.00 0.00 61 R 8.44 4.57 0.00 1.82 1.87 0.00 3.50 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 62 Y 8.88 5.50 0.00 3.36 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 63 A 8.42 5.27 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 64 I 9.08 5.16 2.30 0.00 0.00 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 1.64 1.59 1.28 0.00 0.00 65 F 9.39 4.96 0.00 2.75 2.87 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 66 D 8.73 5.08 0.00 2.69 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 67 Y 9.61 4.51 0.00 3.41 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 68 E 8.11 5.20 0.00 1.92 1.66 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 2.07 2.16 0.00 69 F 8.36 4.94 0.00 3.20 3.22 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 70 Q 8.84 5.02 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.88 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 71 V 8.40 4.24 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 1.07 0.00 0.00 1.19 0.00 0.00 72 D 9.56 4.17 0.00 2.89 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 73 G 8.53 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 0.00 0.00 0.00 74 G 7.70 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 0.00 0.00 0.00 75 Q 8.30 4.43 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 76 R 8.62 4.55 0.00 0.67 0.97 0.00 3.15 0.00 0.00 3.02 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.48 0.00 77 N 8.46 5.51 0.00 2.50 2.79 0.00 0.00 6.75 7.61 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 78 K 9.57 4.85 0.00 1.95 1.90 0.00 1.83 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.80 2.00 7.81 79 I 8.99 4.37 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.67 1.23 0.00 0.00 80 T 9.45 5.16 4.58 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 0.00 0.00 0.00 1.30 0.00 0.00 81 F 9.79 5.29 0.00 3.13 2.98 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 82 I 7.90 4.90 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 1.17 0.64 1.10 0.00 0.00 83 L 9.03 4.78 0.00 1.97 1.70 1.08 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 84 W 9.24 5.13 0.00 3.36 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 85 A 7.96 4.82 1.05 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 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.37 0.00 1.87 1.32 0.00 2.95 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.43 0.00 87 D 8.62 4.23 0.00 2.59 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 88 S 7.80 4.21 0.00 3.96 3.88 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 89 A 7.50 4.36 1.10 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 0.00 0.00 90 P 0.00 4.47 0.00 2.17 1.97 0.00 3.59 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 91 I 8.30 3.66 1.87 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 0.40 0.91 0.00 0.00 92 K 8.05 3.83 0.00 1.83 1.83 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.52 7.81 93 S 8.11 4.21 0.00 3.97 4.09 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 0.00 0.00 0.00 0.00 94 K 8.39 3.98 0.00 1.81 1.83 0.00 1.67 0.00 0.00 1.56 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.65 7.81 95 M 8.68 4.11 0.00 2.02 2.13 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 2.78 2.59 0.00 96 M 8.37 4.04 0.00 1.89 2.11 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.57 0.00 97 Y 8.12 4.50 0.00 3.02 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 98 T 7.95 4.02 4.38 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 1.26 0.00 0.00 99 S 8.06 4.29 0.00 4.05 4.02 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 0.00 100 T 7.77 4.32 4.40 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 1.20 0.00 0.00 101 K 8.09 3.73 0.00 2.16 2.58 0.00 1.45 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.73 1.53 7.81 102 D 7.96 4.19 0.00 2.64 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 0.00 103 S 7.91 3.94 0.00 3.81 3.91 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 0.00 104 I 7.21 3.35 1.46 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.74 0.20 0.00 0.00 105 K 7.14 3.30 0.00 1.43 1.45 0.00 1.52 0.00 0.00 0.97 0.00 0.00 2.75 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.42 7.81 106 K 7.96 3.98 0.00 1.60 1.77 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.52 7.81 107 K 7.36 4.12 0.00 1.64 1.71 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.50 7.81 108 L 6.92 3.83 0.00 1.38 0.80 0.51 0.25 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 0.00 109 V 7.04 3.67 2.15 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 0.81 0.00 0.00 0.91 0.00 0.00 110 G 9.21 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 0.00 0.00 0.00 0.00 111 I 7.34 3.97 1.86 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.60 1.05 0.00 0.00 112 Q 9.00 4.64 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.62 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 113 V 7.84 4.63 2.20 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 1.07 0.00 0.00 1.02 0.00 0.00 114 E 8.95 5.38 0.00 1.94 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 2.30 2.33 0.00 115 V 9.69 4.59 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 1.10 0.00 0.00 0.95 0.00 0.00 116 Q 8.87 5.25 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.46 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 117 A 9.12 5.11 1.51 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 0.00 0.00 118 T 10.32 4.31 4.08 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 1.21 0.00 0.00 119 D 7.62 4.80 0.00 2.94 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 0.00 120 A 8.95 3.98 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 0.00 121 A 8.20 4.17 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 0.00 122 E 8.44 4.02 0.00 2.34 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 0.00 2.37 2.27 0.00 123 I 7.64 4.40 2.01 0.00 0.00 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 0.77 0.48 0.70 0.00 0.00 124 S 7.63 4.46 0.00 4.08 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 0.00 125 E 8.50 2.84 0.00 1.67 1.72 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 1.75 1.47 0.00 126 D 8.01 4.18 0.00 2.74 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.98 3.94 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 0.00 128 V 7.73 3.42 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 0.84 0.00 0.00 1.00 0.00 0.00 129 S 8.04 3.35 0.00 3.80 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 0.00 130 E 7.60 3.85 0.00 2.03 2.06 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 2.26 2.29 0.00 131 R 7.59 3.98 0.00 1.89 1.92 0.00 3.32 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 132 A 7.77 4.01 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 0.00 133 K 8.09 3.63 0.00 1.64 1.49 0.00 1.42 0.00 0.00 0.88 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.17 1.25 7.81 134 K 7.60 4.29 0.00 1.87 2.28 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.31 7.81 *135 D 7.78 4.44 0.00 2.44 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 * Residues marked with a * may have inaccurate shift predictions.