NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.6531 8.4104 110.3330 62.0816 69.9522 172.6580 4 A 3.9725 8.6552 131.0962 51.9630 15.9885 177.4556 5 Y 4.6599 8.0401 111.4778 58.2681 39.5357 174.6678 6 D 4.6865 7.7862 120.2501 55.3240 42.0278 178.6316 7 V 3.5587 7.8437 119.7037 65.6452 32.7257 175.3414 8 I 4.0479 7.6563 122.8466 59.7913 35.9634 175.6685 9 L 4.0596 8.8660 125.6916 56.9961 41.3465 179.6301 10 A 5.1161 8.0411 121.6458 50.3225 23.5254 171.8253 11 P 5.0811 0.0000 0.0000 63.1779 34.5085 176.6212 12 V 2.0038 8.5671 106.9270 61.2149 31.9593 177.3468 13 L 3.9762 8.8157 122.8792 54.3235 39.3540 174.6084 14 S 4.3326 5.9861 111.6110 56.3032 66.6768 175.8440 15 E 3.7158 8.5840 123.9420 59.6258 29.7935 179.0108 16 K 3.8307 7.8721 118.3992 59.5420 32.3357 178.1282 17 A 3.5195 7.1302 120.2920 55.6357 18.1747 179.1693 18 Y 2.5932 6.6551 113.6016 60.7043 37.7506 178.7283 19 A 4.0634 7.4221 120.1167 54.9158 18.5141 179.1876 20 G 3.6128 7.4929 102.5273 46.1300 0.0000 175.7846 21 F 3.9346 7.9681 119.4995 60.0659 38.5548 175.8739 22 A 3.9096 6.8198 122.8713 55.5149 18.7244 179.1597 23 E 4.3561 7.7429 112.3372 55.3659 31.0618 177.8646 24 G 4.1574 8.4628 105.1362 46.9262 0.0000 173.9663 25 K 5.0690 8.4731 122.3928 54.9997 32.8110 175.7893 26 Y 4.9042 8.9799 123.7503 56.0992 40.4675 175.0710 27 T 4.9367 8.2077 113.6120 59.9455 71.5963 173.2404 28 F 4.8330 9.3843 122.8869 55.2717 43.7281 174.3082 29 W 4.9260 8.8677 121.8699 56.9688 29.6325 176.2205 30 V 4.8997 8.3337 117.9356 59.2028 34.4207 175.3723 31 H 4.4172 9.0821 122.8007 55.7775 29.8138 174.3462 32 P 3.7640 0.0000 0.0000 65.5619 30.8743 176.9691 33 K 4.1744 7.4212 115.0407 56.0595 32.4888 176.0256 34 A 4.2727 8.3083 123.4147 52.6380 18.9825 177.0469 35 T 4.7765 7.9190 114.0495 61.0089 73.5583 175.3902 36 K 3.7765 8.6186 122.2704 60.2844 32.1066 179.6669 37 T 4.0291 7.8035 115.1705 66.1673 68.7296 176.5975 38 E 3.9575 8.0112 120.9425 59.8015 29.6461 177.8658 39 I 3.6304 8.7443 120.4689 63.5504 36.9782 178.2346 40 K 4.0241 8.3023 119.8372 60.2206 32.4283 177.9769 41 N 4.1831 8.1327 115.7556 56.4679 38.2774 176.8085 42 A 3.8622 7.8204 121.9447 55.8452 18.7203 179.4260 43 V 3.2656 8.0454 116.6268 66.4961 31.0818 177.4804 44 E 4.2279 8.7999 119.0683 59.3586 29.4242 181.2570 45 T 4.4270 8.2903 112.4231 60.6877 68.8525 174.1951 46 A 5.0105 9.4082 124.8424 54.5185 26.3000 178.1729 47 F 4.4042 8.6718 111.3522 56.8323 39.7767 176.8324 48 K 4.0125 8.0895 116.8463 57.4156 28.7601 173.0603 49 V 4.4895 7.0235 114.9745 59.6504 36.0869 173.9048 50 K 4.7260 9.6092 122.8162 55.1092 33.5177 175.0766 51 V 4.3307 8.3836 127.5142 61.8157 32.3717 175.5420 52 V 4.4390 9.3767 126.4915 62.7747 33.8350 175.2785 53 K 4.7146 7.7845 120.2963 55.1914 35.8060 174.6772 54 V 4.9091 8.3195 125.3215 61.3955 34.5248 173.8833 55 N 5.3005 9.1091 124.8726 51.6741 42.0012 173.5327 56 T 5.2691 8.0690 111.3526 59.7917 72.8140 172.7957 57 L 4.4837 7.8556 117.5327 55.4287 43.7150 173.8796 58 H 4.8134 9.2511 119.9640 55.8455 30.1205 175.3181 59 V 4.3406 9.8314 120.5196 60.8253 34.1085 174.6180 60 R 4.4200 8.2247 129.2566 55.6797 30.5429 176.2539 61 G 4.2609 8.7773 114.4873 45.5883 0.0000 173.1913 62 K 4.3091 8.8401 125.6383 56.6496 33.4299 175.9807 63 K 4.6809 8.5494 123.2154 56.1529 34.2757 175.7891 64 K 4.8147 8.3325 122.4401 54.9343 36.5250 174.7985 65 R 4.8494 8.2765 118.9175 55.4044 32.5166 173.9338 66 L 4.5564 8.6880 127.2054 53.9386 43.5510 176.2245 67 G 4.1635 8.3802 118.7412 46.7307 0.0000 174.9485 68 R 3.9406 8.5419 119.6027 57.6504 30.1601 176.1738 69 Y 4.2472 7.5543 117.0066 57.0983 38.1436 174.0195 70 L 4.9486 8.3706 127.0567 53.6094 44.0984 175.4453 71 G 4.2353 8.4133 110.3850 45.7662 0.0000 171.4079 72 K 4.9622 8.5394 117.7251 54.7017 36.3831 176.0035 73 R 4.7498 8.3157 120.2276 53.4658 32.5801 174.2330 74 P 4.4308 0.0000 0.0000 63.8202 31.1530 175.4261 75 D 4.9128 8.6374 121.5156 54.2106 42.1077 175.4246 76 R 4.6665 8.9791 119.8134 54.3337 35.4208 173.8450 77 K 4.8741 8.6775 120.9813 54.5018 35.2449 174.6569 78 K 5.2580 9.3165 125.8401 55.1037 35.6565 174.9364 79 A 5.1182 9.0428 124.4008 50.2035 22.9567 175.2318 80 I 4.7595 8.7788 119.3293 59.5739 40.9778 174.8135 81 V 4.7123 8.9888 123.6560 60.3154 34.0587 175.3303 82 Q 5.5696 8.9077 125.0258 53.7874 30.8093 175.0445 83 V 4.4445 8.6363 120.3317 60.6471 32.6329 176.1358 84 A 4.1546 9.8957 126.8500 51.5095 19.3608 175.2739 85 P 4.1679 0.0000 0.0000 64.4855 31.7976 175.2650 86 G 4.3242 9.0291 111.5807 46.0512 0.0000 173.9687 87 Q 4.2890 7.4781 117.1629 55.7687 29.4752 175.2688 88 K 4.3325 7.7392 115.2933 57.1700 33.0912 173.9237 89 I 4.2862 7.3197 121.6550 59.6650 38.6056 176.8740 90 E 3.9452 8.9566 125.3126 59.4998 29.7882 178.8657 91 A 3.9666 8.0895 119.9602 55.1852 18.6233 178.3542 92 L 4.4110 7.4666 114.4532 56.1663 42.3161 178.3644 93 E 3.9201 8.1461 116.2194 57.4608 28.8548 177.0888 94 G 3.7078 7.5613 108.7251 47.4035 0.0000 174.6298 *95 L 4.1219 7.6250 124.7515 53.6195 41.6291 178.8274 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 3 T 8.41 4.65 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 1.19 0.00 0.00 4 A 8.66 3.97 1.12 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 0.00 0.00 0.00 0.00 0.00 5 Y 8.04 4.66 0.00 3.03 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 6 D 7.79 4.69 0.00 2.69 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 7 V 7.84 3.56 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 1.06 0.00 0.00 0.99 0.00 0.00 8 I 7.66 4.05 1.86 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.57 0.67 0.00 0.00 9 L 8.87 4.06 0.00 1.88 1.71 1.06 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.04 5.12 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 11 P 0.00 5.08 0.00 2.13 2.30 0.00 4.00 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 12 V 8.57 2.00 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 0.68 0.00 0.00 1.13 0.00 0.00 13 L 8.82 3.98 0.00 1.89 1.83 1.07 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 14 S 5.99 4.33 0.00 3.80 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 15 E 8.58 3.72 0.00 1.91 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 0.00 2.28 2.45 0.00 16 K 7.87 3.83 0.00 1.72 1.59 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.39 7.81 17 A 7.13 3.52 0.78 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 0.00 0.00 18 Y 6.66 2.59 0.00 2.90 2.66 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 19 A 7.42 4.06 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 20 G 7.49 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 0.00 0.00 0.00 21 F 7.97 3.93 0.00 2.98 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 22 A 6.82 3.91 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 23 E 7.74 4.36 0.00 2.07 1.92 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 2.39 2.36 0.00 24 G 8.46 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 0.00 0.00 0.00 25 K 8.47 5.07 0.00 1.70 1.74 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.48 7.81 26 Y 8.98 4.90 0.00 3.03 2.60 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 27 T 8.21 4.94 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 1.03 0.00 0.00 28 F 9.38 4.83 0.00 2.93 3.12 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 0.00 0.00 0.00 29 W 8.87 4.93 0.00 3.42 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 30 V 8.33 4.90 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 0.79 0.00 0.00 1.04 0.00 0.00 31 H 9.08 4.42 0.00 3.27 3.24 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 3.76 0.00 2.19 2.18 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.97 0.00 33 K 7.42 4.17 0.00 1.69 1.89 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.28 1.36 7.81 34 A 8.31 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 35 T 7.92 4.78 4.34 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 1.23 0.00 0.00 36 K 8.62 3.78 0.00 1.76 1.88 0.00 1.85 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.50 7.81 37 T 7.80 4.03 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 1.20 0.00 0.00 38 E 8.01 3.96 0.00 2.03 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 2.36 2.38 0.00 39 I 8.74 3.63 2.12 0.00 0.00 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 1.60 0.83 0.88 0.00 0.00 40 K 8.30 4.02 0.00 1.84 2.02 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.52 7.81 41 N 8.13 4.18 0.00 2.92 2.78 0.00 0.00 6.98 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 42 A 7.82 3.86 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 43 V 8.05 3.27 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 0.83 0.00 0.00 0.67 0.00 0.00 44 E 8.80 4.23 0.00 2.17 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 2.52 2.41 0.00 45 T 8.29 4.43 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 1.22 0.00 0.00 46 A 9.41 5.01 1.78 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 0.00 0.00 47 F 8.67 4.40 0.00 2.97 3.05 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 48 K 8.09 4.01 0.00 1.83 1.92 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.49 7.81 49 V 7.02 4.49 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 0.99 0.00 0.00 50 K 9.61 4.73 0.00 1.79 1.87 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.37 7.81 51 V 8.38 4.33 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 0.91 0.00 0.00 52 V 9.38 4.44 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 0.82 0.00 0.00 0.95 0.00 0.00 53 K 7.78 4.71 0.00 1.84 1.58 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.45 7.81 54 V 8.32 4.91 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 0.89 0.00 0.00 0.94 0.00 0.00 55 N 9.11 5.30 0.00 2.69 2.65 0.00 0.00 6.12 7.05 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 56 T 8.07 5.27 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 1.23 0.00 0.00 57 L 7.86 4.48 0.00 1.64 1.78 0.95 1.46 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 H 9.25 4.81 0.00 3.10 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 9.83 4.34 2.41 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 1.17 0.00 0.00 1.20 0.00 0.00 60 R 8.22 4.42 0.00 1.89 1.86 0.00 3.13 0.00 0.00 3.14 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 61 G 8.78 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 0.00 0.00 0.00 0.00 62 K 8.84 4.31 0.00 1.72 1.75 0.00 1.67 0.00 0.00 1.88 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.46 7.81 63 K 8.55 4.68 0.00 1.97 1.81 0.00 1.51 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.47 7.81 64 K 8.33 4.81 0.00 1.64 1.75 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.34 7.81 65 R 8.28 4.85 0.00 1.74 1.75 0.00 3.34 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 66 L 8.69 4.56 0.00 1.73 1.58 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.38 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 0.00 0.00 0.00 68 R 8.54 3.94 0.00 1.65 1.88 0.00 2.21 0.00 0.00 2.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.57 0.00 69 Y 7.55 4.25 0.00 3.19 2.97 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 70 L 8.37 4.95 0.00 1.59 1.55 0.92 1.03 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 71 G 8.41 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 0.00 0.00 0.00 0.00 72 K 8.54 4.96 0.00 1.57 1.67 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.49 7.81 73 R 8.32 4.75 0.00 1.89 1.76 0.00 3.14 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 74 P 0.00 4.43 0.00 1.98 2.04 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 75 D 8.64 4.91 0.00 2.70 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 76 R 8.98 4.67 0.00 1.47 1.59 0.00 2.98 0.00 0.00 2.82 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.33 0.00 77 K 8.68 4.87 0.00 1.67 1.62 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.22 7.81 78 K 9.32 5.26 0.00 1.45 1.82 0.00 0.63 0.00 0.00 1.13 0.00 0.00 2.79 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.28 1.19 7.81 79 A 9.04 5.12 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 80 I 8.78 4.76 1.79 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 1.23 1.67 0.90 0.00 0.00 81 V 8.99 4.71 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 0.67 0.00 0.00 1.27 0.00 0.00 82 Q 8.91 5.57 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.01 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 83 V 8.64 4.44 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 0.71 0.00 0.00 1.21 0.00 0.00 84 A 9.90 4.15 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 85 P 0.00 4.17 0.00 2.20 2.13 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 86 G 9.03 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 87 Q 7.48 4.29 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 88 K 7.74 4.33 0.00 1.93 1.85 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.19 1.52 7.81 89 I 7.32 4.29 0.83 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.47 1.10 0.00 0.00 90 E 8.96 3.95 0.00 1.96 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 2.23 0.00 91 A 8.09 3.97 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 92 L 7.47 4.41 0.00 1.82 1.60 0.86 1.14 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 93 E 8.15 3.92 0.00 2.10 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 2.65 2.43 0.00 94 G 7.56 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.63 4.12 0.00 1.42 1.50 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.