NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2763 8.2993 120.1343 56.1655 33.6988 175.4190 3 T 3.9738 8.1072 112.6926 60.2684 69.2898 172.7375 4 P 4.2560 0.0000 0.0000 65.7478 32.2723 179.8444 5 E 4.1293 8.0870 113.6278 58.1495 29.8946 176.8591 6 D 4.6447 7.7401 118.1455 54.4858 41.4534 176.2285 7 C 4.3381 7.5764 118.2957 59.7387 28.3401 173.8596 8 T 4.1720 8.8906 115.5377 63.1677 69.4973 174.2845 9 G 4.0590 7.2917 109.1214 43.9144 0.0000 173.4964 10 L 4.0617 8.3710 117.7998 57.1668 41.3728 179.5876 11 A 3.9554 7.8764 120.8243 55.3773 18.5011 179.2479 12 D 4.3162 8.0123 116.9269 57.3468 40.9480 178.7711 13 I 3.6705 7.6441 120.0379 64.7499 37.1262 178.7845 14 R 3.9577 8.2374 118.7930 59.0977 29.8385 178.8640 15 E 3.9124 8.2282 119.1054 59.1475 29.6307 178.7375 16 A 4.0381 8.0919 120.9511 55.1364 18.3375 179.7514 17 I 3.7298 7.8873 118.4758 64.5896 37.1489 178.4105 18 D 4.3650 8.4862 120.2055 57.0580 40.5551 178.7796 19 R 3.8677 8.0805 119.3150 59.5912 30.1678 178.6977 20 I 3.7261 7.8766 119.5640 64.5600 37.0792 178.2601 21 D 4.3993 8.5209 120.1669 57.0497 40.5449 178.6436 22 L 3.9500 8.1596 121.1229 58.2508 42.1482 178.5236 23 D 4.4304 8.2477 118.9108 57.6386 40.6664 179.1635 24 I 3.7441 7.7786 120.0799 64.3229 37.1173 178.6374 25 V 3.6105 7.9346 119.1336 66.1977 31.2744 178.1245 26 Q 4.0213 8.6228 118.0166 58.7778 28.5181 178.6273 27 A 4.0465 8.1328 121.9227 55.2519 18.4644 179.7145 28 L 4.3559 8.4973 118.0520 57.6975 41.7336 180.1310 29 G 3.5971 8.2884 105.8877 47.9734 0.0000 176.0177 30 R 4.1685 8.3611 121.4871 58.8524 30.0755 178.9259 31 R 4.1618 8.7524 118.9260 60.0419 29.9980 178.2439 32 M 4.1473 8.3119 117.8154 58.7057 32.2046 177.8902 33 D 4.2546 7.9875 118.7063 57.5036 41.0045 178.4305 34 Y 4.0858 7.9720 117.3631 60.9153 37.6909 178.3445 35 V 3.7636 7.8483 118.4965 65.8417 32.0601 178.0334 36 K 3.8116 8.2054 118.2080 59.2993 31.3190 179.2590 37 A 4.0660 8.0906 120.7367 54.9931 18.1913 179.5079 38 A 4.3525 8.0713 119.2145 55.2897 18.1550 179.6245 39 S 4.2019 7.8495 113.0318 62.2194 63.1007 176.8887 40 R 3.8702 7.3604 117.9390 57.9702 29.8385 176.6386 41 F 4.6357 8.0076 114.9821 58.7561 41.2128 175.5491 *48 I 3.9354 7.5537 118.8306 60.1917 37.9489 173.8195 49 P 4.3945 0.0000 0.0000 62.1774 32.2827 176.1867 50 A 4.2473 8.2984 123.5236 51.2051 19.3628 176.6334 51 P 4.3005 0.0000 0.0000 65.8095 31.3274 179.1592 52 E 3.9658 8.0632 117.0915 59.1835 29.4007 178.9949 53 R 3.8381 7.9406 118.8134 59.3733 30.2416 178.6520 54 V 3.5175 7.7811 117.3110 66.0956 31.3507 177.7091 55 A 3.9852 7.9004 118.8522 54.8133 17.9585 179.0181 56 A 4.0881 7.7642 119.0946 55.0332 18.8363 179.6977 57 M 3.6472 8.1615 117.4988 58.4461 32.0601 178.9702 58 L 3.8308 7.6371 118.8171 57.4282 41.8429 177.9578 59 P 4.1773 0.0000 0.0000 65.2766 31.1599 178.3296 60 E 3.5268 7.3374 118.1205 59.0131 29.3957 179.0675 61 R 3.1930 7.2136 117.5925 58.4408 29.9287 178.9217 62 A 3.9182 7.6162 120.9203 55.0968 18.4190 179.5529 63 R 3.8255 7.7596 117.2314 59.4070 30.2330 178.7369 64 W 4.4137 8.1122 118.6137 59.6716 28.9958 178.1375 65 A 4.1141 8.2305 120.8108 55.4205 17.8518 179.5595 66 E 3.9354 8.2320 116.8839 59.6679 29.3724 179.2241 67 E 4.0613 8.1680 117.9056 58.6473 29.5749 177.4884 68 N 4.9658 7.7951 114.5367 52.4259 39.3636 175.1411 69 G 3.9670 7.9455 106.8069 46.4786 0.0000 174.1649 70 L 4.7810 8.0097 118.5939 52.1562 44.4980 176.4797 71 D 4.5167 8.6126 119.6311 53.8509 42.0775 176.5035 72 A 4.0175 8.7179 129.2924 55.0716 18.6009 177.1899 73 P 4.2580 0.0000 0.0000 65.7720 31.3693 178.5699 74 F 4.3292 8.6538 119.1528 61.5306 39.4450 177.4277 75 V 3.2508 7.9068 117.8475 65.8499 31.2702 177.5873 76 E 4.1381 8.8858 119.7014 59.1274 29.4160 179.0629 77 G 3.5846 8.1219 105.9833 47.5676 0.0000 175.7076 78 L 3.7931 7.5928 121.3447 57.7201 41.5628 179.7784 79 F 3.9220 8.2572 117.1394 60.0293 38.7784 177.6950 80 A 4.0356 8.2137 121.0715 55.1810 18.1211 179.7326 81 Q 4.0441 8.0366 116.6400 59.0292 28.7183 178.8575 82 I 3.6757 7.8523 120.8861 64.4669 37.1407 178.4311 83 I 3.6958 7.9990 120.7392 64.6900 36.8609 177.8411 84 H 4.1865 8.3605 118.8955 59.2682 29.6580 177.0689 85 W 4.1554 8.8891 130.4559 60.7953 30.4962 177.6141 86 Y 4.0469 8.9867 117.1381 60.8893 37.2995 178.4650 87 I 3.7249 8.1579 121.0091 64.1109 37.2626 178.2562 88 A 3.8150 7.6168 121.4871 55.2667 18.2332 179.6282 89 E 3.7127 7.8885 117.1191 59.3787 29.1793 179.4129 90 Q 4.0516 7.9822 119.2509 59.0666 29.1408 177.9279 91 I 3.9742 7.3812 120.1917 63.9682 37.5837 178.1156 92 K 4.2357 7.9627 119.3195 59.0847 31.6087 177.9734 93 Y 4.4708 7.8965 116.9574 57.6158 38.5112 175.0535 94 W 4.2442 7.9536 133.6508 57.4174 31.0843 174.8280 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 K 8.30 4.28 0.00 1.76 1.81 0.00 1.90 0.00 0.00 1.93 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.44 7.81 3 T 8.11 3.97 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 1.21 0.00 0.00 4 P 0.00 4.26 0.00 2.20 2.16 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 5 E 8.09 4.13 0.00 2.07 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 0.00 2.27 2.33 0.00 6 D 7.74 4.64 0.00 2.90 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 7 C 7.58 4.34 0.00 3.12 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 8 T 8.89 4.17 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 1.21 0.00 0.00 9 G 7.29 4.06 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 0.00 0.00 0.00 10 L 8.37 4.06 0.00 1.70 1.74 0.92 0.71 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 11 A 7.88 3.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.01 4.32 0.00 2.70 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 13 I 7.64 3.67 2.02 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 1.77 1.00 0.91 0.00 0.00 14 R 8.24 3.96 0.00 1.91 1.98 0.00 3.20 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 15 E 8.23 3.91 0.00 2.11 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 0.00 2.31 2.37 0.00 16 A 8.09 4.04 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.89 3.73 2.00 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 1.53 0.84 0.92 0.00 0.00 18 D 8.49 4.36 0.00 2.67 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 19 R 8.08 3.87 0.00 2.03 2.18 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 20 I 7.88 3.73 2.01 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 1.53 0.83 0.92 0.00 0.00 21 D 8.52 4.40 0.00 2.72 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 22 L 8.16 3.95 0.00 1.83 1.83 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.25 4.43 0.00 2.95 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 24 I 7.78 3.74 2.03 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 1.42 0.88 0.89 0.00 0.00 25 V 7.93 3.61 2.21 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 1.05 0.00 0.00 0.97 0.00 0.00 26 Q 8.62 4.02 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 27 A 8.13 4.05 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.50 4.36 0.00 1.95 1.93 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.29 3.60 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 0.00 0.00 0.00 30 R 8.36 4.17 0.00 2.15 2.22 0.00 3.27 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.88 0.00 31 R 8.75 4.16 0.00 2.12 2.45 0.00 3.06 0.00 0.00 2.57 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.76 0.00 32 M 8.31 4.15 0.00 2.26 1.91 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 33 D 7.99 4.25 0.00 2.74 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.97 4.09 0.00 3.39 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 35 V 7.85 3.76 2.19 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 0.92 0.00 0.00 1.26 0.00 0.00 36 K 8.21 3.81 0.00 1.69 1.18 0.00 1.42 0.00 0.00 1.03 0.00 0.00 2.52 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.30 1.17 7.81 37 A 8.09 4.07 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.07 4.35 1.58 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 0.00 0.00 0.00 39 S 7.85 4.20 0.00 4.16 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 0.00 40 R 7.36 3.87 0.00 0.83 1.48 0.00 3.10 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 41 F 8.01 4.64 0.00 3.08 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 *48 I 7.55 3.94 1.81 0.00 0.00 0.76 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 0.42 0.89 0.00 0.00 49 P 0.00 4.39 0.00 2.18 2.07 0.00 3.79 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 2.00 1.99 0.00 50 A 8.30 4.25 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 51 P 0.00 4.30 0.00 2.15 2.13 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 52 E 8.06 3.97 0.00 2.03 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 2.40 0.00 53 R 7.94 3.84 0.00 1.92 2.10 0.00 3.11 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 54 V 7.78 3.52 2.21 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 0.99 0.00 0.00 0.94 0.00 0.00 55 A 7.90 3.99 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 56 A 7.76 4.09 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.16 3.65 0.00 1.92 2.16 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.49 0.00 58 L 7.64 3.83 0.00 1.65 1.84 0.91 1.10 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 59 P 0.00 4.18 0.00 2.02 2.00 0.00 3.57 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 60 E 7.34 3.53 0.00 1.57 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 1.47 1.75 0.00 61 R 7.21 3.19 0.00 1.62 1.45 0.00 2.92 0.00 0.00 2.45 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.61 0.00 62 A 7.62 3.92 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 63 R 7.76 3.83 0.00 1.91 1.96 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 64 W 8.11 4.41 0.00 3.50 3.03 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 0.00 0.00 0.00 0.00 65 A 8.23 4.11 1.47 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 0.00 0.00 66 E 8.23 3.94 0.00 2.21 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 0.00 2.36 2.60 0.00 67 E 8.17 4.06 0.00 2.05 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 0.00 2.34 2.38 0.00 68 N 7.80 4.97 0.00 2.80 2.84 0.00 0.00 6.99 7.00 0.00 0.00 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 G 7.95 3.97 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 0.00 0.00 0.00 70 L 8.01 4.78 0.00 1.82 1.72 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.61 4.52 0.00 2.85 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 72 A 8.72 4.02 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 73 P 0.00 4.26 0.00 2.37 2.17 0.00 4.05 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 74 F 8.65 4.33 0.00 3.08 3.34 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 75 V 7.91 3.25 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 1.19 0.00 0.00 1.02 0.00 0.00 76 E 8.89 4.14 0.00 2.01 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 2.31 2.31 0.00 77 G 8.12 3.58 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 0.00 0.00 0.00 0.00 78 L 7.59 3.79 0.00 1.50 1.27 0.22 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.26 3.92 0.00 3.12 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 80 A 8.21 4.04 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 81 Q 8.04 4.04 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 82 I 7.85 3.68 1.83 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.63 0.37 0.00 0.00 83 I 8.00 3.70 1.93 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 1.43 0.81 0.96 0.00 0.00 84 H 8.36 4.19 0.00 3.41 3.65 0.00 5.78 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 85 W 8.89 4.16 0.00 3.59 3.45 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 0.00 0.00 0.00 0.00 86 Y 8.99 4.05 0.00 3.26 3.08 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 0.00 87 I 8.16 3.72 2.04 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 1.49 1.25 0.89 0.00 0.00 88 A 7.62 3.82 0.96 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 89 E 7.89 3.71 0.00 1.84 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 0.00 1.58 2.12 0.00 90 Q 7.98 4.05 0.00 2.28 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 91 I 7.38 3.97 1.94 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 1.46 0.95 0.90 0.00 0.00 92 K 7.96 4.24 0.00 1.95 1.85 0.00 1.53 0.00 0.00 1.41 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.50 7.81 93 Y 7.90 4.47 0.00 3.03 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 94 W 7.95 4.24 0.00 3.24 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 * Residues marked with a * may have inaccurate shift predictions.