NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.4317 8.1727 124.0563 55.1147 33.8821 173.8721 12 L 4.9080 8.4502 127.8597 51.8795 45.6664 173.5588 13 Q 4.7371 9.5202 125.9051 54.4103 31.3356 173.6781 14 F 5.6016 8.9657 127.1777 56.3519 41.9891 173.9480 15 A 4.9804 9.3538 130.0048 50.9547 22.0967 175.6421 16 L 5.4638 8.7191 124.3372 51.7298 43.7475 173.0566 17 P 4.2873 0.0000 0.0000 67.1959 30.9849 177.5749 18 H 4.5086 7.9957 114.4052 56.6072 29.5205 175.0765 19 E 4.5296 7.4242 117.9459 54.1897 32.3402 174.0082 20 T 4.3632 8.4494 116.8239 61.3753 69.8276 174.2713 21 L 4.0643 8.2600 125.4293 56.3205 42.4522 177.0488 22 Y 4.7184 8.0448 111.5208 57.3516 40.5104 176.0594 23 S 4.6989 8.1250 116.3595 58.4288 60.1182 172.1697 *26 E 4.1909 8.0556 118.7303 55.1172 31.2617 175.3435 27 V 4.6144 8.0186 121.9022 60.5727 34.9817 174.7672 28 T 4.3411 8.3373 115.2460 63.8741 70.0854 175.1197 29 Q 5.0166 7.6409 121.3067 55.1203 32.8728 173.1854 30 V 4.8534 8.4195 125.2363 61.1210 35.0874 173.4258 31 N 6.0352 8.9069 124.8862 50.8503 41.0942 173.6941 32 L 4.9525 8.3906 123.1008 52.3027 45.8109 174.1771 33 P 4.5048 0.0000 0.0000 61.6961 30.8059 176.1677 34 A 4.3165 7.9595 132.8096 52.0907 20.2527 177.5513 35 K 3.9916 8.6817 119.7742 58.5276 31.7294 173.5621 36 S 4.6742 8.1981 112.2240 58.6120 64.4572 176.1505 37 G 4.3237 7.5342 106.7193 42.8430 0.0000 172.0908 38 R 4.3492 8.4550 118.4405 56.9321 30.9460 176.4095 39 I 4.6700 8.5184 121.1011 59.6257 41.8168 174.2930 40 G 4.4182 8.7402 112.4976 44.3963 0.0000 172.8148 41 V 4.4242 8.4488 123.7233 61.0924 33.9328 175.0926 42 L 4.9572 8.4054 127.8963 52.9186 43.7655 177.4332 43 A 3.7942 8.7458 122.3172 54.7511 18.1437 177.1998 44 N 4.8872 7.6403 112.1205 51.7822 40.0680 173.3106 45 H 4.7584 8.4580 122.4061 53.4806 32.7149 173.2045 46 V 3.5769 8.5175 126.2474 62.9349 31.6126 173.3791 47 P 4.8206 0.0000 0.0000 62.2670 31.3776 175.2664 48 T 4.8259 8.4021 118.7740 61.7039 73.4675 172.9462 49 V 4.9160 8.5440 125.0613 61.9424 33.9643 175.1798 50 E 4.7628 9.4984 125.7450 54.3855 33.4812 171.9413 51 Q 3.2661 8.4450 122.3879 55.2520 30.6453 175.3505 52 L 4.9821 8.3978 123.1586 53.5324 44.5385 177.3615 53 L 4.4013 8.6573 126.5560 53.6316 42.1216 173.0318 54 P 4.7774 0.0000 0.0000 63.2979 28.5575 176.1747 55 G 4.2018 7.5245 111.7521 45.8771 0.0000 169.0000 56 V 4.9692 8.5921 118.8382 60.4655 33.4363 171.7195 57 V 4.6199 8.8665 124.4921 60.4728 34.2221 173.8361 58 E 5.1737 9.2773 131.4246 55.1876 31.9474 175.6024 59 V 4.4329 8.3750 126.2526 61.0181 33.7078 171.7258 60 M 5.6889 8.9668 123.8065 52.4554 34.9103 174.9013 61 E 4.6112 8.6795 122.3869 53.3583 31.0543 177.1895 62 G 4.0702 8.9204 118.1009 46.5480 0.0000 172.8930 63 S 4.4583 8.6956 119.3122 57.6523 63.5361 173.2669 64 N 4.4023 8.0303 123.2362 54.4403 38.6965 173.9732 65 S 5.3051 8.7016 126.7762 57.6532 64.3855 171.0899 66 K 4.4328 8.8339 129.5303 52.9975 34.3505 173.6228 67 K 4.6397 8.3182 129.8431 54.1769 33.5626 173.6095 68 F 5.1038 9.2278 120.0142 55.7168 43.5316 173.5020 69 F 5.3145 8.9978 123.4849 56.8829 41.5204 174.4379 70 I 5.4656 7.1294 124.7949 58.3154 40.8674 176.5875 71 S 3.8919 8.7189 120.5138 61.9942 63.8646 173.7266 72 G 3.9396 8.6988 105.2723 43.3062 0.0000 171.2541 73 G 4.2338 6.4599 111.6674 44.0546 0.0000 175.7308 74 F 5.0561 9.1291 124.4509 56.0137 43.8148 171.6133 75 A 5.4991 9.5500 126.4974 50.5257 21.9881 175.6153 76 T 4.9825 8.8214 111.1415 60.0849 72.5134 172.9699 77 V 4.5707 8.5593 126.8807 61.6591 32.6793 175.3890 78 Q 4.5038 9.1879 127.8193 55.3700 29.7597 176.0946 79 P 4.1243 0.0000 0.0000 66.0498 31.4448 177.7068 80 D 4.4475 8.0001 112.1421 53.9386 38.7991 177.0186 81 S 3.9117 8.3760 116.6857 59.7377 61.4512 171.5727 82 Q 4.3939 7.8782 122.5256 55.5892 29.1187 179.9160 83 L 4.8170 8.4383 125.5628 53.3663 44.3870 175.1292 84 C 5.2656 9.1020 123.1402 58.1773 31.3623 172.9058 85 V 4.8611 8.8743 125.2016 61.1516 33.7412 174.6078 86 T 5.5365 8.9476 116.1252 59.4204 72.6827 172.4568 87 A 5.3779 8.1789 122.6657 52.2896 22.4169 176.6624 88 I 3.8005 8.6644 120.2913 63.4306 37.2552 176.0008 89 E 4.8099 8.0365 119.7410 54.7685 31.5297 174.7162 90 A 5.3932 8.2301 125.1520 48.7070 22.5052 173.3644 *92 P 4.3143 0.0000 0.0000 62.5335 32.6120 176.3984 93 L 4.0670 8.3449 124.5173 57.1137 40.6300 177.6814 94 E 4.2420 8.7817 120.4461 58.7812 30.9778 181.9999 95 S 4.2874 8.1696 114.6111 61.2707 62.6684 180.8010 *96 F 4.6076 7.7244 115.8201 59.3499 40.9222 181.9553 97 S 4.3867 7.4892 117.5043 58.0131 63.5641 175.3238 *99 E 4.4129 8.4998 113.0914 58.6293 31.9671 174.3106 100 N 4.6022 8.0295 121.2146 57.6536 37.7289 180.0164 101 I 3.9757 7.8682 123.5510 65.6919 35.8081 180.8190 102 K 4.4054 8.0276 127.5578 60.4357 31.8516 181.4360 103 N 4.7107 8.8264 123.6457 57.5678 37.2206 179.9162 104 L 4.2879 7.4225 124.5432 60.2081 41.1183 183.6378 105 L 4.3863 7.8111 122.4055 59.3176 40.9266 181.0054 106 A 4.2857 8.1701 124.6227 55.5099 17.9790 180.2815 107 E 3.9861 8.4762 116.8400 60.8856 29.6270 181.1719 108 A 4.6229 7.6832 120.6993 53.7953 18.7709 179.6632 109 K 4.2216 7.8533 125.9570 59.8964 32.1065 185.0000 110 K 4.2721 7.8838 125.5929 60.5703 31.3269 182.0986 111 N 4.8115 8.2378 120.7740 57.6230 37.5047 180.2712 112 V 4.2438 7.8406 121.3763 65.8617 31.7205 183.6075 113 S 4.5515 7.6846 117.4603 64.3406 62.0998 181.6774 114 S 4.3808 8.0682 118.9289 61.6762 62.4956 180.0105 115 S 4.4455 7.7705 127.2083 57.3044 62.7340 177.3433 *118 R 4.3860 8.8310 129.9017 55.7670 30.6246 176.7710 119 E 4.1171 9.4023 121.1556 61.5751 30.2176 180.0432 120 A 4.4495 8.3114 120.6803 54.7966 18.1789 179.4919 121 A 3.9616 7.8161 120.3492 55.9985 18.8833 180.1361 122 E 4.0734 8.1127 116.1295 61.2299 29.8271 180.6105 123 A 4.1876 7.8931 121.5053 54.9902 18.4968 179.3785 124 A 4.0166 7.9734 121.4107 56.2708 18.1262 180.5339 125 I 4.0181 7.8882 120.3126 65.2886 35.4482 180.8268 126 Q 4.3604 8.0443 122.6595 61.2511 27.7656 184.7067 127 V 3.9882 7.6144 120.4921 66.9297 31.1138 183.5464 128 E 4.3460 8.2255 120.4089 61.3640 29.5591 182.6693 129 V 4.4295 7.8637 120.7774 65.0634 32.3307 181.8204 130 L 4.2889 7.8340 123.5761 60.7815 40.6693 184.6590 131 E 4.3338 8.1439 120.7511 61.3782 29.3908 181.0601 132 N 4.8328 8.1247 120.5981 58.1123 37.5758 181.5414 133 L 3.7757 7.9062 126.1533 59.9260 40.7577 182.7456 134 Q 4.4592 7.8933 121.9566 59.7601 28.0135 180.0786 135 S 5.0154 7.3338 118.6234 61.2645 63.2378 180.4243 136 V 4.2351 7.2600 124.6853 62.0865 32.5686 177.3746 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 11 K 8.17 4.43 0.00 1.47 1.80 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.02 7.81 12 L 8.45 4.91 0.00 1.74 1.47 0.82 0.10 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 13 Q 9.52 4.74 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 14 F 8.97 5.60 0.00 3.04 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 15 A 9.35 4.98 1.25 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 16 L 8.72 5.46 0.00 1.34 1.54 0.92 0.72 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 17 P 0.00 4.29 0.00 2.06 2.20 0.00 3.76 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 1.96 1.96 0.00 18 H 8.00 4.51 0.00 3.23 3.48 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.42 4.53 0.00 2.10 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 2.15 2.18 0.00 20 T 8.45 4.36 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 1.18 0.00 0.00 21 L 8.26 4.06 0.00 1.02 1.15 -0.45 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.04 4.72 0.00 3.05 2.99 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 23 S 8.12 4.70 0.00 3.90 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 *26 E 8.06 4.19 0.00 2.05 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 2.13 1.88 0.00 27 V 8.02 4.61 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 1.04 0.00 0.00 0.88 0.00 0.00 28 T 8.34 4.34 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 1.22 0.00 0.00 29 Q 7.64 5.02 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.18 0.00 30 V 8.42 4.85 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 0.79 0.00 0.00 0.81 0.00 0.00 31 N 8.91 6.04 0.00 2.73 2.69 0.00 0.00 6.66 7.36 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 32 L 8.39 4.95 0.00 1.46 1.40 0.80 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.50 0.00 2.07 2.20 0.00 3.60 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 2.12 1.91 0.00 34 A 7.96 4.32 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 35 K 8.68 3.99 0.00 1.78 1.79 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.05 7.81 36 S 8.20 4.67 0.00 3.59 3.75 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 37 G 7.53 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 0.00 0.00 0.00 38 R 8.45 4.35 0.00 1.70 1.89 0.00 3.18 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 39 I 8.52 4.67 1.82 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 1.34 1.01 0.88 0.00 0.00 40 G 8.74 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 0.00 0.00 0.00 0.00 41 V 8.45 4.42 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 0.90 0.00 0.00 0.74 0.00 0.00 42 L 8.41 4.96 0.00 1.65 1.59 0.92 0.99 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 43 A 8.75 3.79 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 44 N 7.64 4.89 0.00 2.53 2.74 0.00 0.00 6.71 8.04 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 45 H 8.46 4.76 0.00 3.02 3.10 0.00 5.93 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 46 V 8.52 3.58 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 0.85 0.00 0.00 0.91 0.00 0.00 47 P 0.00 4.82 0.00 2.09 2.09 0.00 3.73 0.00 0.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.21 0.00 48 T 8.40 4.83 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 1.22 0.00 0.00 49 V 8.54 4.92 2.14 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 0.92 0.00 0.00 0.96 0.00 0.00 50 E 9.50 4.76 0.00 1.58 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 2.13 2.13 0.00 51 Q 8.44 3.27 0.00 1.74 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.13 1.42 0.00 52 L 8.40 4.98 0.00 1.47 1.41 0.77 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.66 4.40 0.00 1.41 1.45 0.92 0.99 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 54 P 0.00 4.78 0.00 1.96 2.06 0.00 3.64 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 55 G 7.52 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 0.00 0.00 0.00 0.00 56 V 8.59 4.97 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 0.74 0.00 0.00 0.93 0.00 0.00 57 V 8.87 4.62 2.27 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 0.77 0.00 0.00 0.85 0.00 0.00 58 E 9.28 5.17 0.00 2.11 1.82 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 2.21 2.25 0.00 59 V 8.38 4.43 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 0.67 0.00 0.00 0.93 0.00 0.00 60 M 8.97 5.69 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.58 0.00 61 E 8.68 4.61 0.00 1.93 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 2.33 2.33 0.00 62 G 8.92 4.07 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 0.00 0.00 0.00 63 S 8.70 4.46 0.00 3.99 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 64 N 8.03 4.40 0.00 2.86 2.86 0.00 0.00 7.14 7.51 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 65 S 8.70 5.31 0.00 3.41 3.61 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 66 K 8.83 4.43 0.00 1.39 1.69 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.26 1.23 7.81 67 K 8.32 4.64 0.00 1.44 1.71 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.43 1.04 7.81 68 F 9.23 5.10 0.00 3.15 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 69 F 9.00 5.31 0.00 3.19 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 70 I 7.13 5.47 1.91 0.00 0.00 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 1.07 1.83 0.83 0.00 0.00 71 S 8.72 3.89 0.00 3.86 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 72 G 8.70 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 73 G 6.46 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 74 F 9.13 5.06 0.00 3.01 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 75 A 9.55 5.50 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 76 T 8.82 4.98 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 1.25 0.00 0.00 77 V 8.56 4.57 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 1.04 0.00 0.00 0.85 0.00 0.00 78 Q 9.19 4.50 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.34 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 79 P 0.00 4.12 0.00 2.04 2.11 0.00 3.68 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 2.03 2.13 0.00 80 D 8.00 4.45 0.00 2.76 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 81 S 8.38 3.91 0.00 4.05 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 0.00 82 Q 7.88 4.39 0.00 1.69 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.18 0.00 83 L 8.44 4.82 0.00 1.74 1.48 0.83 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 84 C 9.10 5.27 0.00 2.96 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 85 V 8.87 4.86 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 0.38 0.00 0.00 0.58 0.00 0.00 86 T 8.95 5.54 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 1.25 0.00 0.00 87 A 8.18 5.38 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.66 3.80 1.89 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 1.25 0.60 0.94 0.00 0.00 89 E 8.04 4.81 0.00 1.91 1.91 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 2.36 2.29 0.00 90 A 8.23 5.39 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 *92 P 0.00 4.31 0.00 2.07 1.96 0.00 3.83 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 93 L 8.34 4.07 0.00 1.57 1.45 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.78 4.24 0.00 1.89 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 0.00 2.31 1.87 0.00 95 S 8.17 4.29 0.00 3.62 3.81 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 *96 F 7.72 4.61 0.00 2.36 2.14 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 97 S 7.49 4.39 0.00 3.67 3.73 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 *99 E 8.50 4.41 0.00 1.91 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 0.00 2.21 1.88 0.00 100 N 8.03 4.60 0.00 2.72 2.84 0.00 0.00 6.79 7.59 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 0.00 101 I 7.87 3.98 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.10 0.91 0.00 0.00 102 K 8.03 4.41 0.00 1.76 1.83 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.07 7.81 103 N 8.83 4.71 0.00 2.67 2.86 0.00 0.00 7.27 6.70 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 0.00 104 L 7.42 4.29 0.00 1.87 1.62 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.81 4.39 0.00 1.65 1.69 0.92 0.68 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 0.00 106 A 8.17 4.29 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 0.00 107 E 8.48 3.99 0.00 1.99 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 2.24 2.19 0.00 108 A 7.68 4.62 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 0.00 109 K 7.85 4.22 0.00 1.77 1.82 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 110 K 7.88 4.27 0.00 1.80 1.86 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.33 7.81 111 N 8.24 4.81 0.00 2.82 2.77 0.00 0.00 6.52 7.67 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 0.00 112 V 7.84 4.24 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 0.72 0.00 0.00 0.93 0.00 0.00 113 S 7.68 4.55 0.00 3.79 3.81 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 0.00 114 S 8.07 4.38 0.00 3.62 3.78 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 0.00 115 S 7.77 4.45 0.00 3.62 3.73 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 R 8.83 4.39 0.00 1.76 1.71 0.00 3.23 0.00 0.00 3.37 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 119 E 9.40 4.12 0.00 1.96 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 2.32 1.95 0.00 120 A 8.31 4.45 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 0.00 121 A 7.82 3.96 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 8.11 4.07 0.00 1.99 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 2.31 1.94 0.00 123 A 7.89 4.19 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 0.00 124 A 7.97 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 0.00 125 I 7.89 4.02 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 0.91 0.00 0.00 126 Q 8.04 4.36 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 127 V 7.61 3.99 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 0.71 0.00 0.00 0.93 0.00 0.00 128 E 8.23 4.35 0.00 1.97 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 0.00 2.24 2.19 0.00 129 V 7.86 4.43 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 0.76 0.00 0.00 0.93 0.00 0.00 130 L 7.83 4.29 0.00 1.59 1.70 0.92 0.94 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 0.00 131 E 8.14 4.33 0.00 2.08 1.90 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 2.26 2.19 0.00 132 N 8.12 4.83 0.00 2.76 2.85 0.00 0.00 7.06 6.55 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 0.00 133 L 7.91 3.78 0.00 1.63 1.70 0.92 1.29 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 0.00 134 Q 7.89 4.46 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 7.50 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 135 S 7.33 5.02 0.00 3.74 3.75 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 0.00 136 V 7.26 4.24 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 0.80 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.