NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.0112 8.2993 119.9794 56.5375 33.1487 175.0749 12 F 4.5978 7.5847 119.3507 55.3214 39.2111 174.8000 13 R 4.1886 8.9361 121.2677 57.1366 33.0179 180.7597 14 V 2.9707 8.4718 115.9892 63.1398 31.4860 173.3962 15 R 3.6704 9.1702 108.5736 56.8381 27.7054 176.5804 16 N 4.4628 7.4921 116.7594 55.8364 40.9803 176.0287 17 R 3.5984 8.6194 114.9171 57.7656 27.7685 178.6258 18 I 3.4741 8.5588 111.3342 61.1811 36.8862 173.8674 19 K 4.3948 8.1154 118.8361 56.7361 35.0971 175.1423 20 R 4.0973 7.9549 117.6480 57.0526 30.4714 175.4988 21 T 4.3733 8.5835 118.0283 65.1954 70.9013 176.3416 22 G 3.7916 8.2213 106.2212 45.9655 0.0000 169.7998 23 R 3.7152 8.6376 125.7366 56.4560 30.7968 174.3213 24 L 4.0138 8.1590 120.9976 55.4674 37.7419 172.2487 25 R 3.9594 7.8039 120.0463 55.1804 31.3551 176.9388 26 L 4.6043 8.1806 130.2322 54.2684 40.2463 176.7005 27 S 4.0651 7.6248 115.8993 58.5674 64.0756 174.3793 28 V 4.7139 7.6854 126.6497 61.7016 33.6206 174.0553 29 F 4.7736 8.5588 119.2194 58.2267 41.2294 174.1572 30 R 4.5370 9.0728 130.2281 55.1946 28.6070 175.2997 31 S 4.4673 7.7902 116.5459 56.4061 63.5424 174.5746 32 L 4.1807 8.3899 123.9879 56.6976 41.7701 178.0678 33 K 4.4191 8.0534 116.4879 57.4729 34.0687 174.9205 34 H 5.0358 7.4105 114.7709 54.6283 32.8872 172.6887 35 I 4.5814 7.3346 119.8652 62.1697 39.3800 174.4377 36 Y 4.7687 8.6155 127.3042 57.2248 40.7383 175.4258 37 A 4.8681 8.5749 122.3591 51.4071 21.1404 175.0621 38 Q 5.0084 8.4175 118.2721 55.4382 31.4534 175.4906 39 I 4.5800 8.6499 122.4658 60.0102 39.3841 174.5663 40 I 4.8289 8.1708 128.4927 59.5109 40.1150 174.4724 41 D 4.7370 8.5613 127.2606 52.5599 41.7753 175.7518 42 D 4.7268 8.4528 125.9667 54.3387 41.9089 175.5831 43 E 3.7933 8.5081 116.1096 56.3610 27.0363 176.4925 44 K 5.0533 8.6297 131.8819 56.6867 32.2330 176.4018 45 G 4.0705 8.0130 106.6697 45.8209 0.0000 174.2407 46 V 3.6180 7.3090 119.1270 63.6207 31.9717 174.5547 47 T 4.8807 8.2095 121.5578 62.0163 69.5522 174.3340 48 L 4.3137 8.7556 127.2019 56.6846 42.5065 177.2628 49 V 4.5753 7.6212 117.4161 62.0875 35.2892 173.5329 50 S 4.7888 8.5605 119.5519 58.0965 64.2879 173.7585 51 A 4.7207 8.9217 130.9435 50.3164 17.7980 175.6499 52 S 4.5750 8.2038 115.1006 57.2675 64.6844 175.4065 53 S 4.5057 8.1703 119.5090 57.7857 61.3120 177.7828 54 L 4.5439 9.0006 121.5970 56.7428 41.2079 177.4089 55 A 4.6416 7.3237 119.5071 51.9474 18.1358 178.1341 56 L 4.4463 8.3386 117.6718 57.2047 47.4799 174.1830 57 K 4.0225 7.8454 117.9715 54.1959 29.2048 177.7577 58 L 3.5528 8.6689 115.2467 54.6972 42.1307 173.3031 59 K 4.6460 7.8626 117.0025 55.1611 33.1066 177.1084 60 G 4.1964 8.2575 110.4439 46.3661 0.0000 173.5190 61 N 4.3104 8.2960 119.9651 55.5954 39.3113 174.6748 62 K 4.2633 7.7621 122.8106 56.4783 30.7601 177.5852 63 T 3.7575 8.0482 108.0463 65.0272 69.0978 175.8489 64 E 3.8652 7.9206 122.9034 58.5956 29.8181 178.9724 65 V 3.6189 7.6859 117.3210 65.8991 31.6418 177.2874 66 A 3.9337 7.8593 120.1655 55.5351 18.3227 179.5236 67 R 3.8061 7.7146 115.7617 60.0110 30.2220 179.1593 68 Q 4.1418 8.2044 117.5328 58.6064 28.7108 178.9348 69 V 3.7826 7.8340 120.5529 64.4934 31.0534 178.9050 70 G 3.5326 7.7206 105.4413 47.9015 0.0000 175.9800 71 R 3.4787 8.1215 120.1551 58.6003 29.9608 178.9075 72 A 3.9197 7.8829 120.8201 54.9129 18.4274 178.9263 73 L 3.8650 8.2862 118.7927 58.5588 42.0254 178.8151 74 A 4.0191 8.9265 121.2790 56.1797 18.2988 178.8673 75 E 3.9598 8.3724 116.4412 58.8997 29.2543 179.6296 76 K 3.9512 8.2970 119.9007 59.7743 32.7323 178.8154 77 A 4.1597 8.3696 120.9163 55.0928 18.6633 179.4086 78 L 3.8808 8.5919 117.5344 58.1387 41.8237 179.4134 79 A 4.2127 7.9953 117.8372 53.4405 18.0546 177.5030 80 L 4.5834 8.4622 115.1449 54.0138 43.0971 176.5817 81 G 3.9851 8.7548 107.2639 45.5378 0.0000 173.1947 82 I 3.6083 7.5530 119.0324 61.8398 36.5204 174.4957 83 K 4.0975 8.0899 127.6204 56.6746 32.8922 176.0519 84 Q 4.4809 8.1771 115.4455 55.7437 31.2377 175.5189 85 V 4.5800 7.7934 117.2121 60.3248 35.3437 175.7806 86 A 4.6108 8.5765 125.9735 51.8595 22.9017 175.2815 87 F 4.6461 9.0131 124.6125 56.8615 40.4783 173.1660 88 D 4.3700 7.1276 122.5736 52.7526 41.0303 174.7418 89 R 3.9521 8.8962 126.7595 55.1800 32.3266 174.9631 90 G 4.1541 8.0694 108.3067 45.3590 0.0000 173.0702 91 P 4.2924 0.0000 0.0000 64.5289 30.9735 179.1005 92 Y 3.9225 9.0660 118.1307 59.6485 39.5513 176.0278 93 K 3.1905 7.5266 119.0397 55.6948 30.3033 171.5413 94 Y 3.9206 5.7287 119.4306 57.4181 38.5251 174.6512 95 H 4.2642 8.2219 122.6141 56.3634 33.8920 176.2410 96 G 3.7482 7.3684 115.8191 46.1547 0.0000 175.1039 97 R 3.9025 8.9680 118.8247 55.4990 29.6815 176.7728 98 V 3.2471 10.0470 118.2998 63.3239 31.5101 176.3297 99 K 4.2814 8.1568 126.6339 56.4784 32.3126 177.6490 100 A 4.2839 7.5230 118.4091 51.1718 17.8267 178.1713 101 L 4.0456 7.7066 120.6775 56.2998 40.8608 176.2335 102 A 4.0243 7.8959 122.1652 54.0418 18.5014 178.8490 103 E 4.0714 8.4750 112.8855 56.4131 30.7172 179.6648 104 G 3.9594 8.8711 110.4695 45.4302 0.0000 176.3083 105 A 4.4307 7.7613 121.3406 52.5668 18.1067 178.7696 106 R 4.3583 8.9997 122.4237 56.8298 32.2085 175.5858 107 E 4.0316 7.7746 117.3047 57.6941 29.9302 173.6708 108 G 4.0208 8.8402 113.6946 45.8943 0.0000 173.9967 *109 G 3.7078 8.0531 114.0690 45.5273 0.0000 173.2534 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 8.30 4.01 0.00 1.79 1.82 0.00 1.50 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.42 7.81 12 F 7.58 4.60 0.00 3.10 3.15 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 0.00 0.00 0.00 0.00 13 R 8.94 4.19 0.00 1.86 2.07 0.00 3.49 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 14 V 8.47 2.97 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 0.87 0.00 0.00 1.11 0.00 0.00 15 R 9.17 3.67 0.00 1.92 1.92 0.00 3.40 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.54 0.00 16 N 7.49 4.46 0.00 2.40 2.39 0.00 0.00 7.07 7.53 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 17 R 8.62 3.60 0.00 1.94 1.75 0.00 2.94 0.00 0.00 3.19 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 18 I 8.56 3.47 1.83 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 1.27 1.00 0.94 0.00 0.00 19 K 8.12 4.39 0.00 1.63 1.76 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.38 7.81 20 R 7.95 4.10 0.00 1.80 1.84 0.00 3.31 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 21 T 8.58 4.37 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 1.20 0.00 0.00 22 G 8.22 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.64 3.72 0.00 1.97 1.94 0.00 3.24 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.81 0.00 24 L 8.16 4.01 0.00 1.87 1.78 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.80 3.96 0.00 1.71 1.96 0.00 3.04 0.00 0.00 3.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 26 L 8.18 4.60 0.00 1.81 1.69 1.12 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.62 4.07 0.00 4.08 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 28 V 7.69 4.71 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 1.27 0.00 0.00 1.19 0.00 0.00 29 F 8.56 4.77 0.00 3.11 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 30 R 9.07 4.54 0.00 1.93 2.02 0.00 3.35 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 31 S 7.79 4.47 0.00 3.37 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 32 L 8.39 4.18 0.00 1.68 1.72 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.05 4.42 0.00 1.68 1.90 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.51 7.81 34 H 7.41 5.04 0.00 2.13 2.64 0.00 5.66 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.33 4.58 1.81 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 2.39 0.82 0.00 0.00 36 Y 8.62 4.77 0.00 3.11 2.95 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 0.00 0.00 0.00 37 A 8.57 4.87 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 38 Q 8.42 5.01 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 39 I 8.65 4.58 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.26 0.92 0.00 0.00 40 I 8.17 4.83 1.85 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 1.10 1.11 0.98 0.00 0.00 41 D 8.56 4.74 0.00 2.83 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.45 4.73 0.00 2.67 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 43 E 8.51 3.79 0.00 2.10 2.02 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 2.20 2.21 0.00 44 K 8.63 5.05 0.00 1.92 1.95 0.00 1.86 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.17 7.81 45 G 8.01 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 46 V 7.31 3.62 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 0.95 0.00 0.00 0.93 0.00 0.00 47 T 8.21 4.88 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 1.35 0.00 0.00 48 L 8.76 4.31 0.00 1.54 1.73 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.62 4.58 2.11 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 0.97 0.00 0.00 0.95 0.00 0.00 50 S 8.56 4.79 0.00 3.93 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 51 A 8.92 4.72 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 52 S 8.20 4.58 0.00 4.25 4.17 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 53 S 8.17 4.51 0.00 3.76 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 54 L 9.00 4.54 0.00 0.37 1.33 0.86 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.32 4.64 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 56 L 8.34 4.45 0.00 1.55 2.04 1.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.85 4.02 0.00 1.86 1.23 0.00 1.90 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.31 1.31 7.81 58 L 8.67 3.55 0.00 1.69 1.51 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.86 4.65 0.00 1.75 1.75 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.47 7.81 60 G 8.26 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 61 N 8.30 4.31 0.00 2.67 2.81 0.00 0.00 7.41 6.68 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 62 K 7.76 4.26 0.00 1.85 1.96 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.30 1.27 7.81 63 T 8.05 3.76 4.17 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 1.15 0.00 0.00 64 E 7.92 3.87 0.00 1.97 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 0.00 2.30 2.31 0.00 65 V 7.69 3.62 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 0.92 0.00 0.00 0.92 0.00 0.00 66 A 7.86 3.93 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 67 R 7.71 3.81 0.00 2.08 2.01 0.00 3.09 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 68 Q 8.20 4.14 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 69 V 7.83 3.78 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 0.89 0.00 0.00 0.99 0.00 0.00 70 G 7.72 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 71 R 8.12 3.48 0.00 1.99 2.01 0.00 3.12 0.00 0.00 3.33 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 72 A 7.88 3.92 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 73 L 8.29 3.87 0.00 1.94 1.81 1.00 1.18 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 74 A 8.93 4.02 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 75 E 8.37 3.96 0.00 2.21 1.94 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 2.34 2.56 0.00 76 K 8.30 3.95 0.00 1.76 1.93 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.70 7.81 77 A 8.37 4.16 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 78 L 8.59 3.88 0.00 1.82 1.76 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.00 4.21 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 80 L 8.46 4.58 0.00 1.83 1.68 0.97 1.07 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 81 G 8.75 3.99 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 0.00 0.00 0.00 82 I 7.55 3.61 1.89 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 1.46 0.86 0.93 0.00 0.00 83 K 8.09 4.10 0.00 1.71 1.62 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.41 7.81 84 Q 8.18 4.48 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.52 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 85 V 7.79 4.58 2.35 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 0.75 0.00 0.00 0.99 0.00 0.00 86 A 8.58 4.61 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 87 F 9.01 4.65 0.00 3.17 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 88 D 7.13 4.37 0.00 2.40 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 8.90 3.95 0.00 1.64 2.19 0.00 3.76 0.00 0.00 3.44 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 90 G 8.07 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.29 0.00 2.01 1.70 0.00 3.50 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.95 0.00 92 Y 9.07 3.92 0.00 3.23 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 93 K 7.53 3.19 0.00 1.78 1.84 0.00 1.64 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.33 7.81 94 Y 5.73 3.92 0.00 2.56 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 95 H 8.22 4.26 0.00 2.97 3.15 0.00 6.08 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 96 G 7.37 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 0.00 0.00 0.00 97 R 8.97 3.90 0.00 1.88 2.05 0.00 3.16 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 98 V 10.05 3.25 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 0.58 0.00 0.00 0.53 0.00 0.00 99 K 8.16 4.28 0.00 1.80 1.93 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.62 7.81 100 A 7.52 4.28 1.20 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 0.00 101 L 7.71 4.05 0.00 1.82 1.73 1.02 0.61 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 0.00 102 A 7.90 4.02 1.26 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 0.00 103 E 8.48 4.07 0.00 1.98 2.02 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 2.33 2.28 0.00 104 G 8.87 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 0.00 105 A 7.76 4.43 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 0.00 106 R 9.00 4.36 0.00 1.85 1.96 0.00 3.48 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.85 0.00 107 E 7.77 4.03 0.00 2.07 2.18 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 2.15 2.33 0.00 108 G 8.84 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 0.00 0.00 0.00 *109 G 8.05 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 * Residues marked with a * may have inaccurate shift predictions.