NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3590 0.0000 0.0000 62.6528 32.6468 174.8901 2 Q 4.3865 8.4345 120.0966 53.8745 30.4602 173.2626 3 I 4.4941 8.0837 125.6813 59.6824 40.7912 175.1127 4 T 4.4026 8.4162 115.5380 60.8570 70.3853 174.1922 5 L 4.6472 7.6224 117.9746 54.2800 42.2328 178.1742 6 W 4.2539 8.1209 121.4524 58.7300 29.2064 176.3210 7 K 4.7698 7.6903 115.1768 53.7133 34.9016 175.8732 8 R 3.9476 8.4876 119.6470 56.5590 30.9018 176.3817 9 P 4.6697 0.0000 0.0000 62.0328 29.5621 174.8316 10 L 4.8282 7.5883 122.1723 55.1040 43.1860 177.6909 11 V 4.6225 8.8386 115.8426 59.8801 36.5268 174.5662 12 T 4.9203 8.4549 118.8271 62.9014 69.6107 174.4302 13 I 4.8583 8.9232 118.5415 59.1703 41.5770 174.1771 14 R 5.0745 8.6553 122.2689 54.5449 33.0553 175.1459 15 I 4.3613 8.7730 123.6903 60.2998 41.8322 174.8476 16 G 3.7625 9.8784 117.3073 46.4843 0.0000 174.4489 17 G 3.9239 8.6565 108.1468 44.5632 0.0000 173.5806 18 Q 4.6660 7.7541 116.8022 54.1211 31.3836 173.8898 19 L 5.2181 8.1330 117.7165 53.3695 43.4482 176.3517 20 K 4.7255 8.9156 121.1091 54.7332 36.9835 174.5868 21 E 5.0851 8.7018 122.2592 55.0373 31.2325 174.7726 22 A 4.8638 8.9850 126.6963 50.5426 23.7022 174.3844 23 L 4.8236 8.8562 122.2033 53.6647 43.9388 175.6839 24 L 4.4594 8.6367 127.3011 54.6621 42.4304 176.3373 25 D 4.8179 9.1896 125.2638 52.2945 42.6162 176.3307 26 T 3.9905 8.7334 116.4540 63.6013 69.1406 175.6017 27 G 3.8476 8.1804 110.0674 45.3320 0.0000 172.8035 28 A 4.6665 7.6770 122.6870 50.1076 20.9276 178.1979 29 D 4.3860 8.8914 122.3770 56.6919 42.2110 175.9160 30 D 5.4651 7.9799 116.0120 52.6160 45.6749 174.9319 31 T 4.6410 8.1104 115.3189 62.5403 70.3949 174.4202 32 V 4.9230 8.6563 125.6555 61.1951 34.8589 174.1798 33 I 5.0959 9.0318 128.4210 58.8567 40.6959 175.0673 34 E 4.5456 9.2271 124.1464 55.5858 30.0890 176.3391 35 E 3.7746 8.7224 120.8038 57.0855 30.2046 176.1399 *37 N 4.5057 8.5739 122.0687 53.1320 39.8166 173.9238 38 L 4.6191 8.0107 121.7558 52.0747 45.3944 174.7336 39 P 4.5911 0.0000 0.0000 63.4949 33.6129 175.7855 40 G 4.1062 8.9373 109.1543 43.9969 0.0000 176.7407 *42 W 4.7103 8.7433 115.2956 55.7495 29.5317 174.3630 43 K 4.5947 8.5665 119.5215 54.2957 35.2480 173.7111 44 P 5.0220 0.0000 0.0000 62.9874 32.0067 175.9485 45 K 4.3260 8.7043 126.4160 55.4694 36.1193 174.9509 *47 I 4.3199 8.4435 110.7877 60.7586 38.7392 174.6329 48 G 3.5703 8.2762 109.4306 43.4068 0.0000 173.8419 49 G 4.0504 7.9249 111.1191 45.2832 0.0000 174.8439 50 I 3.7951 8.3163 117.9931 62.0370 38.2901 176.6539 *52 G 3.9394 7.5822 109.5934 45.7121 0.0000 171.6602 53 F 5.2164 8.8423 117.8864 55.5203 42.2735 174.1164 54 I 4.7968 8.3911 115.6730 59.0575 40.5419 174.9266 55 K 4.6528 8.5785 122.4182 56.0230 33.2051 176.5497 56 V 4.6603 9.1767 116.7378 59.7735 36.8463 174.3409 57 R 4.6400 8.8601 121.3852 54.8946 31.9118 175.4504 58 Q 4.7155 9.4815 126.4687 55.0724 30.6915 173.5883 59 Y 5.0750 9.1502 125.2269 56.5656 40.1325 175.2010 60 D 5.0038 8.9506 123.7431 52.7649 43.2363 175.4771 61 Q 3.3479 8.3971 118.0923 57.2316 27.6073 173.8262 62 I 4.2978 7.9958 118.2136 59.5704 38.8085 174.9429 63 P 4.8313 0.0000 0.0000 62.6505 32.1324 176.1489 64 V 4.6039 9.0966 123.5758 61.2512 34.9275 173.1761 65 E 4.9513 9.1626 128.8663 54.2128 31.7979 176.1907 66 I 4.2513 9.0030 128.8410 61.2860 38.0566 177.3528 *68 G 3.9089 8.1476 108.4617 42.9944 0.0000 173.0230 69 H 4.7491 8.3928 118.7323 53.9707 30.3090 174.1557 70 K 4.8013 8.4972 123.4117 56.0058 33.0418 176.1081 71 A 4.9371 9.0896 125.0745 50.3619 23.2658 175.1118 72 I 4.8741 8.9506 120.2480 60.5223 40.6234 175.1638 73 G 4.0838 8.5005 114.6381 46.5796 0.0000 171.5016 74 T 4.8755 8.7759 117.4499 63.4247 69.5540 174.6400 75 V 4.4676 9.0297 125.6698 61.1267 34.8654 174.0498 76 L 5.1291 9.1176 128.2537 53.5139 43.9496 175.6071 77 V 4.7639 8.8409 123.1649 60.8836 34.4044 175.1589 78 G 3.9512 7.9836 113.3072 45.1448 0.0000 170.8679 79 P 4.8190 0.0000 0.0000 62.4312 29.8579 176.4104 80 T 4.1470 7.2930 112.6557 61.6813 68.5755 172.5243 81 P 4.3941 0.0000 0.0000 64.9835 31.6991 177.1148 82 V 4.4448 7.2435 115.8480 60.7372 34.7844 174.0769 83 N 4.8507 8.7631 124.5643 53.3821 39.8026 173.8672 84 I 5.0026 8.9107 116.8949 59.1661 41.2874 174.3086 85 I 4.4168 9.1041 127.1108 60.3618 38.5848 175.6528 86 G 4.2882 8.2758 115.9014 43.7996 0.0000 173.9904 87 R 4.0487 8.8961 118.4750 58.9786 30.2633 179.1720 88 N 4.3552 7.9380 114.6473 55.4851 37.6178 176.5186 89 L 4.3578 7.8058 117.7531 56.2944 41.7967 178.6101 90 L 4.0264 8.1878 119.7314 58.0921 41.6624 179.6523 91 T 3.9396 8.0641 109.6237 64.9100 68.4081 176.6783 92 Q 4.0865 7.7891 119.9434 57.9531 28.8005 177.5130 93 I 4.4040 7.3051 110.8670 59.1129 38.1378 171.7968 94 G 3.6465 7.4203 118.0280 45.3242 0.0000 173.5198 *96 T 4.1212 8.0976 114.4897 61.1958 69.9110 173.0322 97 L 4.7417 8.2004 121.6099 53.3109 43.4534 176.1111 98 N 5.1002 8.4331 119.0325 51.6784 42.4450 174.4843 99 F 4.4805 8.2618 116.0285 57.4972 37.4097 173.8297 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 P 0.00 4.36 0.00 2.20 2.14 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.97 0.00 2 Q 8.43 4.39 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 3 I 8.08 4.49 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 1.48 0.80 0.91 0.00 0.00 4 T 8.42 4.40 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 1.32 0.00 0.00 5 L 7.62 4.65 0.00 1.29 1.47 0.78 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 6 W 8.12 4.25 0.00 3.35 3.31 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 7 K 7.69 4.77 0.00 1.75 1.72 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.53 7.81 8 R 8.49 3.95 0.00 1.80 1.88 0.00 3.19 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 9 P 0.00 4.67 0.00 2.10 2.19 0.00 3.66 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.96 0.00 10 L 7.59 4.83 0.00 1.56 1.75 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.84 4.62 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 0.77 0.00 0.00 0.98 0.00 0.00 12 T 8.45 4.92 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 1.26 0.00 0.00 13 I 8.92 4.86 1.86 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 1.36 0.76 0.91 0.00 0.00 14 R 8.66 5.07 0.00 1.75 1.84 0.00 3.12 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 15 I 8.77 4.36 1.84 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 1.08 1.17 0.87 0.00 0.00 16 G 9.88 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.66 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.75 4.67 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 19 L 8.13 5.22 0.00 1.53 1.61 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.92 4.73 0.00 1.63 1.61 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.33 7.81 21 E 8.70 5.09 0.00 1.96 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 22 A 8.98 4.86 1.18 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 0.00 0.00 23 L 8.86 4.82 0.00 1.73 1.63 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.64 4.46 0.00 1.55 1.60 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 25 D 9.19 4.82 0.00 2.63 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 26 T 8.73 3.99 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 27 G 8.18 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 0.00 0.00 0.00 28 A 7.68 4.67 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 29 D 8.89 4.39 0.00 2.62 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 30 D 7.98 5.47 0.00 2.56 2.54 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 31 T 8.11 4.64 4.41 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 1.28 0.00 0.00 32 V 8.66 4.92 2.07 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 1.10 0.00 0.00 0.93 0.00 0.00 33 I 9.03 5.10 1.84 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 0.77 0.92 0.00 0.00 34 E 9.23 4.55 0.00 1.91 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 2.09 0.00 35 E 8.72 3.77 0.00 1.96 1.89 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 2.23 2.27 0.00 *37 N 8.57 4.51 0.00 2.75 2.79 0.00 0.00 6.77 7.85 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 38 L 8.01 4.62 0.00 0.50 0.62 0.29 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.59 0.00 2.06 2.01 0.00 3.57 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 2.01 2.07 0.00 40 G 8.94 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *42 W 8.74 4.71 0.00 2.85 1.74 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 43 K 8.57 4.59 0.00 1.78 1.83 0.00 1.31 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.31 1.41 7.81 44 P 0.00 5.02 0.00 2.04 2.20 0.00 3.62 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.23 0.00 45 K 8.70 4.33 0.00 1.85 1.58 0.00 1.97 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.43 7.81 *47 I 8.44 4.32 1.88 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 1.39 0.80 0.97 0.00 0.00 48 G 8.28 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.92 4.05 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 0.00 0.00 0.00 50 I 8.32 3.80 1.83 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 1.31 0.46 0.87 0.00 0.00 *52 G 7.58 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 0.00 0.00 0.00 53 F 8.84 5.22 0.00 2.96 2.98 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 0.00 0.00 0.00 54 I 8.39 4.80 1.89 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 1.24 0.70 0.92 0.00 0.00 55 K 8.58 4.65 0.00 1.68 1.81 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.50 7.81 56 V 9.18 4.66 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 0.73 0.00 0.00 1.01 0.00 0.00 57 R 8.86 4.64 0.00 1.40 1.00 0.00 2.50 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.92 0.00 58 Q 9.48 4.72 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 59 Y 9.15 5.07 0.00 3.12 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 60 D 8.95 5.00 0.00 2.61 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 61 Q 8.40 3.35 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 62 I 8.00 4.30 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.77 0.87 0.00 0.00 63 P 0.00 4.83 0.00 1.93 1.99 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 64 V 9.10 4.60 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 1.06 0.00 0.00 0.92 0.00 0.00 65 E 9.16 4.95 0.00 2.07 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 2.29 2.39 0.00 66 I 9.00 4.25 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 1.23 0.59 0.91 0.00 0.00 *68 G 8.15 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.39 4.75 0.00 3.38 3.25 0.00 5.81 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.50 4.80 0.00 1.64 1.74 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.44 7.81 71 A 9.09 4.94 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.95 4.87 1.88 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 1.17 0.72 0.93 0.00 0.00 73 G 8.50 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 0.00 0.00 0.00 0.00 74 T 8.78 4.88 4.28 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 1.35 0.00 0.00 75 V 9.03 4.47 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 1.06 0.00 0.00 0.99 0.00 0.00 76 L 9.12 5.13 0.00 1.69 1.59 0.95 0.60 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 77 V 8.84 4.76 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 0.96 0.00 0.00 0.94 0.00 0.00 78 G 7.98 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 0.00 0.00 0.00 0.00 79 P 0.00 4.82 0.00 2.18 2.10 0.00 3.86 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 80 T 7.29 4.15 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 1.31 0.00 0.00 81 P 0.00 4.39 0.00 2.06 2.09 0.00 3.67 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 82 V 7.24 4.44 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 0.76 0.00 0.00 0.92 0.00 0.00 83 N 8.76 4.85 0.00 2.83 2.71 0.00 0.00 6.64 7.44 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 84 I 8.91 5.00 1.86 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 0.85 0.89 0.00 0.00 85 I 9.10 4.42 1.86 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 1.15 1.01 0.91 0.00 0.00 86 G 8.28 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 0.00 0.00 0.00 0.00 87 R 8.90 4.05 0.00 1.86 2.00 0.00 3.14 0.00 0.00 3.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 88 N 7.94 4.36 0.00 2.85 2.98 0.00 0.00 6.96 8.44 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 89 L 7.81 4.36 0.00 1.71 1.74 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.19 4.03 0.00 1.67 1.72 0.91 0.84 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 91 T 8.06 3.94 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 1.23 0.00 0.00 92 Q 7.79 4.09 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 93 I 7.31 4.40 1.83 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 1.72 0.53 0.98 0.00 0.00 94 G 7.42 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 0.00 0.00 0.00 *96 T 8.10 4.12 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 97 L 8.20 4.74 0.00 1.72 1.74 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.43 5.10 0.00 2.68 2.67 0.00 0.00 6.81 7.45 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 99 F 8.26 4.48 0.00 3.09 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 * Residues marked with a * may have inaccurate shift predictions.