NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 P 4.4786 0.0000 0.0000 61.1908 31.3664 175.3149 21 K 3.8772 8.6025 125.8181 55.1729 32.8266 175.0959 22 A 4.1259 8.7255 129.0082 51.8274 20.2572 178.0517 23 V 2.0000 8.0731 123.6441 66.0910 31.5922 178.4849 *24 Y 4.0056 7.5925 116.6355 59.0742 36.5634 178.7769 25 L 4.6268 7.6668 115.6837 54.9224 42.7700 177.0351 26 W 4.6441 8.3685 121.5217 56.9918 29.6101 176.3060 27 T 4.7407 8.8232 114.4444 60.6532 70.9040 176.2288 28 V 4.0261 8.2567 122.0936 64.5758 31.0612 178.4897 29 S 4.1197 8.0831 115.1234 61.6236 62.6935 176.2237 30 D 4.0851 8.0471 121.5029 57.1170 40.4167 178.9655 31 V 3.8876 8.0438 118.8175 66.2485 31.5983 178.1849 32 L 4.2220 8.3062 118.8037 57.3084 41.4227 179.3990 33 K 3.8568 8.0653 119.8452 59.1798 32.1901 178.2074 34 W 4.2677 8.0534 128.8021 60.9754 30.5205 177.0511 35 Y 2.9766 8.5875 119.3193 60.6035 37.9589 178.4726 36 R 3.9048 7.8677 117.6499 59.0683 30.1967 178.7766 37 R 3.8183 7.6922 117.5971 59.3220 30.1909 177.4603 38 H 4.4925 7.3334 113.4862 56.0480 29.9561 175.5566 39 C 4.5719 7.2192 117.5564 59.0304 28.4149 175.7844 40 G 3.7858 8.1509 114.1391 49.5530 0.0000 176.0230 41 E 3.9515 7.9917 113.8700 57.6320 30.1914 179.0099 42 Y 4.8614 8.0196 116.1742 58.2836 38.6104 177.6607 43 T 4.2166 7.9752 115.8335 64.6469 67.8357 175.1447 44 Q 4.0738 7.9958 117.6849 58.1333 29.0749 176.0405 45 Y 4.7258 7.9488 115.9335 57.9651 39.1569 176.9110 46 E 3.2060 8.0800 121.8276 59.5365 29.5223 178.7230 47 Q 4.1537 8.0715 116.6554 58.2056 28.8056 178.0911 48 L 4.0303 7.9280 120.2484 57.9810 41.5834 179.4818 49 F 3.9704 8.3120 117.4376 60.2687 38.9340 177.6616 50 A 4.0600 8.0742 120.0323 55.4101 18.1118 179.6062 51 Q 3.9971 8.2075 115.5724 58.9417 28.8572 177.7113 52 H 4.4745 8.2623 114.4480 54.5216 29.6832 174.4232 53 D 4.2825 7.8074 119.1094 55.2266 39.6842 175.1014 54 I 3.9817 8.0107 120.6413 61.2212 36.6711 176.7931 55 T 4.5546 8.2513 117.5546 60.1501 71.8030 175.4206 56 G 3.6430 8.8144 107.3585 48.2850 0.0000 175.7944 57 R 3.8853 8.0770 118.7298 59.0752 30.2543 178.5287 58 A 4.1431 7.8432 120.3691 54.9281 18.2035 179.3257 59 L 3.9133 8.1034 118.4186 58.2953 42.1674 178.8455 60 L 4.0548 7.7798 117.2190 56.3420 41.6342 177.7162 61 R 4.5031 7.8590 117.0175 56.4425 32.2061 176.6934 62 I 3.9486 7.7419 110.2600 60.9593 38.4172 174.9896 63 T 4.5412 8.4436 111.8374 59.1391 72.8409 174.1734 64 D 3.8792 7.0195 118.7453 57.6797 40.6780 178.4034 65 S 4.0177 7.6376 114.8495 61.5229 62.6357 176.5608 66 S 4.0330 7.4213 116.8752 61.5485 62.8427 176.3935 67 L 4.0098 7.6596 121.0793 57.7899 41.1377 179.1130 68 Q 4.0797 7.6880 118.0922 59.1182 29.1954 180.2095 69 R 3.8753 7.9804 119.9022 56.0942 29.8670 177.9357 *71 G 3.8959 8.1202 104.4750 45.1538 0.0000 174.9944 72 V 3.7289 7.5500 121.7593 61.6084 29.8285 175.4984 73 T 4.0102 7.9869 113.8131 63.6798 69.7464 176.6335 74 D 4.3882 8.1649 121.9622 54.3121 42.0244 176.4243 75 N 4.3082 8.8128 124.6846 56.5246 38.7595 177.6330 76 R 3.9497 7.9288 118.9223 59.2822 30.3009 178.5430 77 D 4.2646 8.7193 118.9397 57.3850 40.8574 178.8842 78 R 3.8410 8.2455 121.6548 60.1245 29.9974 178.9908 79 E 4.1475 8.5544 118.2175 61.0724 29.7729 180.7790 80 A 4.1439 8.0030 121.5649 55.0847 18.4146 179.9115 81 I 3.6243 7.5423 118.3491 64.1575 37.1924 178.3887 82 W 4.3985 8.7101 129.6753 60.7444 30.5618 178.0834 83 R 3.8080 8.4085 118.1905 59.4131 29.4453 178.9182 84 E 4.0712 8.0466 117.8186 59.3211 29.3902 179.5098 85 I 3.5892 7.7776 119.9375 64.2926 37.1738 178.6124 86 V 3.1710 7.1389 119.0262 65.6341 31.2960 177.8463 87 K 3.8373 7.8959 119.3437 59.6780 31.9448 178.5508 88 Q 3.9620 8.2579 119.7890 59.1225 28.8521 178.3995 89 R 3.7132 7.8707 119.3231 58.9194 29.9852 178.9949 90 L 3.8886 7.8972 118.8321 57.5478 41.4205 179.2665 91 K 3.8274 7.7392 118.1682 59.8924 32.1745 178.3912 92 T 3.9099 7.7410 114.6524 66.7831 68.6504 175.9630 93 D 4.4987 8.0948 120.5166 57.3767 40.7757 179.5098 94 I 3.9256 7.7616 118.6900 63.0011 36.4053 178.2617 *96 E 4.2655 8.0795 118.1889 56.0981 31.9166 181.5129 97 I 3.8099 7.8761 119.4577 64.4078 37.4847 177.8290 98 R 4.0522 8.3389 119.2842 59.5823 29.7437 179.4131 99 D 4.5439 7.5585 114.1611 55.4412 40.8968 178.0271 *101 E 4.3018 8.2201 121.4059 56.5564 31.3897 178.4870 102 R 3.7681 7.7381 116.6640 59.0616 30.4026 178.1566 103 L 3.9034 7.9181 116.8040 57.4406 41.8086 177.5673 104 N 3.9440 7.0757 109.4872 54.6575 36.6124 173.7031 105 I 4.1924 7.6318 118.3679 60.4934 37.8571 175.9309 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 20 P 0.00 4.48 0.00 2.11 1.97 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.59 0.00 21 K 8.60 3.88 0.00 1.90 2.01 0.00 1.83 0.00 0.00 2.00 0.00 0.00 3.19 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.65 1.61 7.81 22 A 8.73 4.13 1.22 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 0.00 0.00 23 V 8.07 2.00 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 0.21 0.00 0.00 -0.48 0.00 0.00 *24 Y 7.59 4.01 0.00 2.37 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 0.00 0.00 0.00 0.00 25 L 7.67 4.63 0.00 1.86 1.82 0.96 1.23 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 26 W 8.37 4.64 0.00 3.49 3.10 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 0.00 0.00 0.00 27 T 8.82 4.74 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 1.26 0.00 0.00 28 V 8.26 4.03 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 1.11 0.00 0.00 1.03 0.00 0.00 29 S 8.08 4.12 0.00 3.89 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 30 D 8.05 4.09 0.00 2.80 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 0.00 0.00 0.00 0.00 31 V 8.04 3.89 2.51 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 1.39 0.00 0.00 1.30 0.00 0.00 32 L 8.31 4.22 0.00 1.77 1.74 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.07 3.86 0.00 1.76 1.83 0.00 1.47 0.00 0.00 1.47 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.38 7.81 34 W 8.05 4.27 0.00 3.22 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 35 Y 8.59 2.98 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.87 3.90 0.00 1.93 1.93 0.00 3.22 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.87 0.00 37 R 7.69 3.82 0.00 1.77 1.82 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.51 0.00 38 H 7.33 4.49 0.00 2.22 3.22 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 C 7.22 4.57 0.00 1.23 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 0.00 0.00 0.00 0.00 40 G 8.15 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 41 E 7.99 3.95 0.00 2.00 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 2.23 1.90 0.00 42 Y 8.02 4.86 0.00 3.23 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 43 T 7.98 4.22 4.44 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 1.20 0.00 0.00 44 Q 8.00 4.07 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.60 0.00 0.00 0.00 0.00 0.00 1.16 1.80 0.00 45 Y 7.95 4.73 0.00 3.36 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 46 E 8.08 3.21 0.00 2.05 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 2.30 2.31 0.00 47 Q 8.07 4.15 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.64 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 48 L 7.93 4.03 0.00 1.84 1.71 1.10 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.31 3.97 0.00 3.10 3.18 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 0.00 0.00 0.00 50 A 8.07 4.06 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 51 Q 8.21 4.00 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 52 H 8.26 4.47 0.00 3.18 3.28 0.00 5.81 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.81 4.28 0.00 2.81 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 54 I 8.01 3.98 2.20 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 1.50 0.72 1.15 0.00 0.00 55 T 8.25 4.55 4.49 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 1.27 0.00 0.00 56 G 8.81 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 0.00 0.00 0.00 57 R 8.08 3.89 0.00 1.80 2.02 0.00 3.21 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 58 A 7.84 4.14 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 59 L 8.10 3.91 0.00 1.76 1.74 0.88 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.78 4.05 0.00 1.74 1.61 0.77 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.86 4.50 0.00 1.87 1.95 0.00 3.16 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 62 I 7.74 3.95 1.94 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.80 0.98 0.00 0.00 63 T 8.44 4.54 3.95 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 1.20 0.00 0.00 64 D 7.02 3.88 0.00 1.75 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 0.00 0.00 0.00 65 S 7.64 4.02 0.00 3.80 3.80 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 66 S 7.42 4.03 0.00 3.82 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 67 L 7.66 4.01 0.00 1.86 1.67 1.20 0.89 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 68 Q 7.69 4.08 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.59 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 69 R 7.98 3.88 0.00 1.87 1.90 0.00 3.21 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 1.63 1.72 0.00 *71 G 8.12 3.90 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 0.00 0.00 0.00 72 V 7.55 3.73 1.86 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 0.06 0.00 0.00 0.72 0.00 0.00 73 T 7.99 4.01 4.27 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 1.23 0.00 0.00 74 D 8.16 4.39 0.00 2.94 2.75 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 75 N 8.81 4.31 0.00 2.78 2.85 0.00 0.00 7.14 7.66 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 76 R 7.93 3.95 0.00 2.07 2.05 0.00 3.18 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 77 D 8.72 4.26 0.00 2.90 2.83 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 78 R 8.25 3.84 0.00 2.00 2.00 0.00 3.25 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 79 E 8.55 4.15 0.00 1.99 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 2.24 2.20 0.00 80 A 8.00 4.14 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 81 I 7.54 3.62 1.94 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.56 1.33 0.00 0.00 82 W 8.71 4.40 0.00 3.45 3.29 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 83 R 8.41 3.81 0.00 2.05 1.96 0.00 3.21 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.95 0.00 84 E 8.05 4.07 0.00 2.27 2.15 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 2.48 2.47 0.00 85 I 7.78 3.59 1.59 0.00 0.00 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 1.48 1.11 0.58 0.00 0.00 86 V 7.14 3.17 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.11 0.00 0.00 87 K 7.90 3.84 0.00 1.90 2.05 0.00 1.89 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.45 7.81 88 Q 8.26 3.96 0.00 2.28 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 1.66 2.00 0.00 89 R 7.87 3.71 0.00 1.87 1.81 0.00 2.93 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.57 0.00 90 L 7.90 3.89 0.00 1.78 1.67 0.88 0.70 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 91 K 7.74 3.83 0.00 1.75 1.98 0.00 1.86 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.51 7.81 92 T 7.74 3.91 4.31 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 1.02 0.00 0.00 93 D 8.09 4.50 0.00 2.79 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 94 I 7.76 3.93 1.85 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 1.36 0.65 0.90 0.00 0.00 *96 E 8.08 4.27 0.00 1.92 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 2.21 1.91 0.00 97 I 7.88 3.81 2.01 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 1.28 1.01 0.90 0.00 0.00 98 R 8.34 4.05 0.00 1.83 1.97 0.00 3.29 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 99 D 7.56 4.54 0.00 2.98 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 *101 E 8.22 4.30 0.00 2.23 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 0.00 2.45 2.28 0.00 102 R 7.74 3.77 0.00 1.94 2.00 0.00 3.16 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 103 L 7.92 3.90 0.00 1.64 1.71 0.92 0.98 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 0.00 104 N 7.08 3.94 0.00 3.06 3.00 0.00 0.00 7.04 7.82 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 0.00 105 I 7.63 4.19 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 1.27 0.84 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.