NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5719 8.1476 118.3294 55.0198 33.9332 173.1200 2 V 3.8489 8.1927 118.8002 61.8217 32.5344 174.1245 3 K 4.9238 10.4099 126.8258 54.3584 36.8611 176.3262 4 I 4.9939 8.1429 120.6858 59.8248 39.8176 175.0436 5 R 4.9776 9.0606 123.4143 53.3989 33.8269 173.6140 6 L 4.8513 8.4866 118.6246 53.6714 42.9091 176.2567 7 A 4.6955 8.4345 125.8169 50.1059 20.8897 176.2240 8 R 3.7484 8.3755 123.4140 56.1939 30.7606 175.9992 9 F 4.1113 8.0755 125.1368 55.2699 44.0537 174.3033 10 G 3.8847 9.0459 113.6277 47.1287 0.0000 170.2081 11 S 4.9705 7.6758 116.2147 56.5196 65.7789 173.2911 12 K 3.9832 8.3460 121.5945 58.4427 32.4825 178.9881 13 H 4.3480 8.7857 122.7695 56.3829 28.1602 174.6666 14 N 4.7789 8.0018 118.8858 51.2313 37.5954 171.9405 15 P 4.6986 0.0000 0.0000 62.8521 32.6951 176.2122 16 H 4.9430 8.2238 114.8495 55.9778 31.6645 173.3143 17 Y 5.1473 9.0154 122.1669 57.1316 39.6084 175.2784 18 R 4.6524 8.7034 117.7827 54.5979 33.6651 174.8404 19 I 4.0450 8.4421 126.1659 62.0893 38.2874 175.8100 20 V 4.6613 8.9926 126.1886 60.2741 35.2296 173.5266 21 V 4.6376 8.2710 122.6336 61.1546 33.1311 174.7993 22 T 4.5764 8.5841 117.7755 60.8757 71.7420 171.5721 23 D 4.6657 8.4680 124.8435 53.8941 41.8104 176.5806 24 A 3.9539 8.8616 129.7777 55.7864 18.3982 178.8274 25 R 4.1346 8.7020 111.2951 57.1824 29.9798 177.0837 26 R 4.3047 7.7896 118.5738 55.2606 31.7654 175.4784 27 K 4.5051 8.0646 117.0114 55.1298 34.3886 176.4136 28 R 3.7770 8.2392 118.8242 60.3398 29.9955 176.9249 29 D 4.3595 7.8389 115.3981 54.6552 40.9717 176.9833 30 G 3.7716 7.4263 109.4361 45.0044 0.0000 172.9499 31 K 4.0593 8.4036 121.0714 55.7616 31.6198 176.3292 32 Y 4.5928 7.9836 124.7199 56.3507 39.3737 175.7822 33 I 3.9687 8.5946 122.3364 64.2816 37.8254 176.4942 34 E 4.9257 8.0116 119.0574 55.2157 32.8794 174.0452 35 K 4.8783 9.1217 127.9935 55.5913 33.4751 175.9332 36 I 4.6181 8.8867 118.3476 59.6310 39.5790 175.1044 37 G 4.9343 7.5925 112.7333 46.4657 0.0000 171.6283 38 Y 5.1693 6.6682 119.4542 55.7920 40.4739 173.2283 39 Y 4.8492 8.3578 117.6490 57.0218 42.7575 172.7966 40 D 4.7277 7.4073 122.9311 51.6648 43.7684 173.9427 41 P 4.5670 0.0000 0.0000 63.6402 31.3766 176.9578 42 R 4.3592 8.4193 117.1980 55.0671 32.0401 175.9801 43 K 3.8364 7.9746 116.3570 57.4643 30.0076 176.9759 44 T 4.1776 7.8175 103.5835 62.1007 68.1558 173.8262 45 T 4.4427 7.9679 117.0689 62.8756 72.7168 172.3663 46 P 4.9437 0.0000 0.0000 63.8988 31.1452 176.2674 47 D 5.1854 7.7856 118.7709 54.1861 41.4617 176.8001 48 W 4.5272 8.6435 114.4208 54.6478 27.9643 175.4525 49 L 4.8935 7.5598 121.6344 54.9446 43.7285 172.2556 50 K 4.6296 6.4993 130.7764 56.4083 34.0847 173.4496 51 V 4.4322 7.6871 126.7948 59.8322 32.0242 172.2136 52 D 4.4759 8.5094 127.1656 53.8074 40.7655 176.5394 53 V 3.6192 8.1299 118.7596 63.7288 31.5131 177.3573 54 E 3.9069 7.8829 117.6191 59.5828 29.6421 179.4278 55 R 4.0184 8.0564 116.8250 59.1726 30.3028 178.3569 56 A 4.1385 7.8878 119.1701 55.7934 18.1488 179.7315 57 R 3.9470 8.3439 116.0568 59.2346 29.9473 178.1232 58 Y 4.1695 8.4518 120.6537 59.9834 38.6247 177.3949 59 W 4.0861 7.6448 120.3870 59.1038 29.6899 177.2408 60 L 4.3251 7.4572 117.9253 56.3492 41.5883 178.8883 61 S 4.2983 8.6014 113.0092 60.0872 63.1538 175.2030 62 V 4.2435 7.4553 113.8867 60.4712 32.0547 171.3976 63 G 3.8830 8.1277 116.9059 45.3059 0.0000 175.1745 64 A 4.7720 8.6154 125.4751 56.2262 19.7621 177.4674 65 Q 3.6235 7.5026 121.2875 55.8044 26.4557 176.1089 66 P 4.6894 0.0000 0.0000 61.6399 32.7413 176.4597 67 T 4.0174 8.4864 116.7149 64.1255 69.1644 175.4873 68 D 4.3732 8.6714 123.5522 57.8904 40.2527 179.1320 69 T 3.9490 7.8358 108.5467 63.6288 68.3442 175.5877 70 A 4.3035 7.5996 123.5861 54.2419 19.3506 178.8246 71 R 3.9229 7.9911 117.5146 59.9447 29.9977 178.1621 72 R 3.7404 7.6715 118.1895 59.6015 29.8649 178.1719 73 L 4.0047 7.2120 118.8740 56.8786 42.0275 179.1031 74 L 4.3534 7.3824 118.6278 57.0851 41.7494 178.6329 75 R 4.0401 7.9662 118.5349 59.6207 29.8887 178.1498 76 Q 4.0678 8.2950 117.1497 57.7629 29.0258 176.8507 77 A 4.5673 7.7150 119.6997 50.9831 20.7923 176.3197 78 G 3.8601 9.0530 106.7094 47.3091 0.0000 174.4508 79 V 4.1689 7.8056 114.6397 62.8353 33.5594 175.8476 80 F 4.3449 8.3691 116.5723 58.9780 40.1339 175.0993 81 R 3.8639 8.2246 120.7575 56.9632 29.4070 175.5860 82 Q 4.2340 8.6772 122.7095 55.7407 29.6056 176.1800 83 E 3.8831 8.2192 122.9277 57.4756 28.1069 174.0548 *84 A 4.1104 7.8393 123.3387 52.3887 18.9361 176.1379 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 1 M 8.15 4.57 0.00 2.06 2.29 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 2 V 8.19 3.85 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 0.59 0.00 0.00 0.57 0.00 0.00 3 K 10.41 4.92 0.00 1.64 1.70 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.51 7.81 4 I 8.14 4.99 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.65 0.91 0.00 0.00 5 R 9.06 4.98 0.00 1.76 1.97 0.00 3.03 0.00 0.00 3.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.44 0.00 6 L 8.49 4.85 0.00 1.59 1.98 0.78 0.10 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 7 A 8.43 4.70 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 8 R 8.38 3.75 0.00 1.46 1.54 0.00 3.00 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.81 0.00 9 F 8.08 4.11 0.00 3.23 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 10 G 9.05 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 0.00 0.00 0.00 11 S 7.68 4.97 0.00 3.90 3.83 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 0.00 0.00 0.00 12 K 8.35 3.98 0.00 1.74 1.64 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.10 1.30 7.81 13 H 8.79 4.35 0.00 3.39 3.45 0.00 5.73 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 14 N 8.00 4.78 0.00 2.81 2.75 0.00 0.00 7.07 7.33 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 15 P 0.00 4.70 0.00 2.29 2.15 0.00 3.85 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 2.18 2.20 0.00 16 H 8.22 4.94 0.00 3.18 3.29 0.00 5.81 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 9.02 5.15 0.00 3.20 3.09 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 18 R 8.70 4.65 0.00 1.73 1.70 0.00 2.80 0.00 0.00 3.14 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 19 I 8.44 4.05 1.97 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 1.23 1.05 0.90 0.00 0.00 20 V 8.99 4.66 1.79 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 0.73 0.00 0.00 0.81 0.00 0.00 21 V 8.27 4.64 1.75 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 0.56 0.00 0.00 0.03 0.00 0.00 22 T 8.58 4.58 4.30 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 1.21 0.00 0.00 23 D 8.47 4.67 0.00 2.71 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 24 A 8.86 3.95 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 25 R 8.70 4.13 0.00 1.84 1.97 0.00 3.15 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 26 R 7.79 4.30 0.00 1.98 1.91 0.00 3.31 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 27 K 8.06 4.51 0.00 1.90 1.90 0.00 1.52 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.48 7.81 28 R 8.24 3.78 0.00 1.77 1.91 0.00 3.26 0.00 0.00 3.24 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 29 D 7.84 4.36 0.00 2.60 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.43 3.77 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 0.00 0.00 0.00 31 K 8.40 4.06 0.00 1.70 1.74 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.29 7.81 32 Y 7.98 4.59 0.00 3.29 2.90 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 0.00 0.00 0.00 33 I 8.59 3.97 1.79 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 1.09 0.58 0.78 0.00 0.00 34 E 8.01 4.93 0.00 2.30 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 2.53 2.49 0.00 35 K 9.12 4.88 0.00 2.15 1.86 0.00 1.85 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.37 7.81 36 I 8.89 4.62 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.79 1.13 0.00 0.00 37 G 7.59 4.93 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 38 Y 6.67 5.17 0.00 3.11 3.14 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 39 Y 8.36 4.85 0.00 3.11 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 40 D 7.41 4.73 0.00 2.72 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 41 P 0.00 4.57 0.00 2.34 2.42 0.00 3.52 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.38 0.00 42 R 8.42 4.36 0.00 1.80 1.93 0.00 3.31 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 43 K 7.97 3.84 0.00 1.55 0.97 0.00 1.25 0.00 0.00 1.21 0.00 0.00 2.50 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.30 0.88 7.81 44 T 7.82 4.18 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 1.18 0.00 0.00 45 T 7.97 4.44 4.30 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 1.33 0.00 0.00 46 P 0.00 4.94 0.00 2.27 2.23 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 47 D 7.79 5.19 0.00 2.68 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 48 W 8.64 4.53 0.00 3.61 3.09 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 49 L 7.56 4.89 0.00 1.30 1.11 0.95 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 50 K 6.50 4.63 0.00 1.37 0.74 0.00 1.41 0.00 0.00 1.53 0.00 0.00 3.04 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.10 0.94 7.81 51 V 7.69 4.43 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 0.84 0.00 0.00 0.91 0.00 0.00 52 D 8.51 4.48 0.00 2.77 2.71 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 53 V 8.13 3.62 2.04 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 0.83 0.00 0.00 0.90 0.00 0.00 54 E 7.88 3.91 0.00 2.09 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 2.37 2.48 0.00 55 R 8.06 4.02 0.00 1.99 2.15 0.00 3.31 0.00 0.00 3.61 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 56 A 7.89 4.14 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 57 R 8.34 3.95 0.00 2.01 1.95 0.00 3.07 0.00 0.00 3.04 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 58 Y 8.45 4.17 0.00 2.66 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 59 W 7.64 4.09 0.00 3.27 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 60 L 7.46 4.33 0.00 1.72 1.64 0.77 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.60 4.30 0.00 3.96 4.01 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 0.00 0.00 0.00 62 V 7.46 4.24 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 0.73 0.00 0.00 0.80 0.00 0.00 63 G 8.13 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 0.00 0.00 0.00 64 A 8.62 4.77 1.24 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 65 Q 7.50 3.62 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 66 P 0.00 4.69 0.00 2.21 2.07 0.00 3.82 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 2.03 2.06 0.00 67 T 8.49 4.02 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 1.18 0.00 0.00 68 D 8.67 4.37 0.00 2.66 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 69 T 7.84 3.95 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 1.16 0.00 0.00 70 A 7.60 4.30 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 71 R 7.99 3.92 0.00 2.07 2.16 0.00 3.05 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.76 0.00 72 R 7.67 3.74 0.00 1.79 1.99 0.00 3.18 0.00 0.00 3.14 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 73 L 7.21 4.00 0.00 1.84 1.61 -0.08 0.96 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 74 L 7.38 4.35 0.00 2.22 2.10 1.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.97 4.04 0.00 1.36 1.84 0.00 2.97 0.00 0.00 2.93 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.24 0.00 76 Q 8.30 4.07 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 77 A 7.71 4.57 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 G 9.05 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 0.00 0.00 0.00 79 V 7.81 4.17 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 0.65 0.00 0.00 1.04 0.00 0.00 80 F 8.37 4.34 0.00 2.98 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 81 R 8.22 3.86 0.00 1.81 1.95 0.00 3.24 0.00 0.00 3.35 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.68 0.00 82 Q 8.68 4.23 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 5.87 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 83 E 8.22 3.88 0.00 2.15 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 2.21 2.23 0.00 *84 A 7.84 4.11 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 * Residues marked with a * may have inaccurate shift predictions.