NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 E 4.2469 8.2876 120.2195 56.5880 31.8724 177.0368 23 D 4.3009 7.8733 115.6965 52.9703 39.4661 174.3267 24 E 4.0322 8.7172 124.3139 59.2412 30.8880 180.1251 25 V 2.6984 7.2651 111.0677 63.2633 31.6189 176.0352 26 N 4.8466 7.2335 116.1130 53.3158 38.8989 174.6119 27 S 4.8162 7.5260 111.0510 56.3629 65.0291 174.3556 28 C 4.5122 8.8898 123.8283 59.6908 40.1287 174.4898 29 D 4.3502 7.8310 117.7461 55.2924 41.1117 176.2343 30 Y 4.3814 8.0544 122.0287 57.4240 39.1081 176.9294 31 W 4.3194 8.7172 124.1290 59.7166 28.0219 177.5613 32 R 3.1491 5.8400 115.8999 58.0474 29.8810 176.4268 33 H 5.1089 7.8781 115.5505 55.9081 28.9666 174.4637 34 C 4.5027 8.3856 116.6023 57.2368 42.3666 174.1750 35 A 4.7646 7.5002 120.1188 50.2882 19.9034 175.8465 36 V 3.3695 7.5042 119.4915 63.9839 32.8669 174.6144 37 D 4.8747 9.4510 127.1577 52.4884 42.0432 176.4168 38 G 3.8444 7.2587 116.4155 45.8298 0.0000 168.9936 39 F 5.2965 7.9970 120.4135 55.2152 41.6612 174.6665 40 L 4.2961 8.4974 125.3018 54.8391 41.5884 177.6226 41 C 4.2416 9.0155 123.0733 59.8113 40.3327 176.3809 42 S 4.0864 7.9923 112.1916 59.9305 62.6313 175.3163 43 C 4.7179 8.2115 117.2232 57.1849 40.6240 173.3491 44 C 4.6990 8.4049 116.9772 56.7337 39.9573 174.7883 45 G 3.8951 8.6556 107.7570 45.0703 0.0000 174.4633 46 G 4.3668 7.6814 109.7994 44.6908 0.0000 170.9425 47 T 4.7012 8.1526 110.4724 60.2380 72.2754 174.6194 48 T 4.0668 8.4991 110.1424 64.1008 68.8195 175.3773 49 T 4.5840 7.7549 109.7260 61.0438 69.7881 173.6720 50 T 4.6490 7.5952 111.3897 60.0261 71.5794 172.8397 51 C 4.7895 8.6467 122.0605 55.8564 37.1210 171.9630 52 P 4.4797 0.0000 0.0000 61.6938 31.6249 174.1940 53 P 4.2911 0.0000 0.0000 64.7460 31.4446 177.0918 54 G 3.9410 9.1105 111.3023 44.9808 0.0000 172.7747 55 S 4.9063 7.5715 113.8502 56.8407 65.4854 173.6690 56 T 4.6212 8.9971 119.5437 61.2406 70.3668 172.5853 57 P 4.8987 0.0000 0.0000 62.7465 32.1743 175.9804 58 S 4.9192 8.7031 118.9417 56.9545 63.7273 172.9731 59 P 4.3829 0.0000 0.0000 64.5955 31.6003 176.0426 60 I 4.5624 7.2276 111.3652 59.2067 40.9420 175.9174 61 S 3.7112 7.0255 119.2238 58.2599 66.5665 178.1109 *63 I 4.1954 8.5349 118.5760 61.0635 37.9254 173.9615 64 G 4.4316 9.1930 111.1545 44.9852 0.0000 171.6823 65 T 5.1375 8.6788 118.1421 62.1264 70.1049 174.4823 66 C 5.1897 9.3402 124.8690 55.3437 43.4398 172.7042 67 H 5.2269 8.8835 122.5194 54.6171 30.8432 173.9359 68 N 3.5999 8.9904 126.1214 51.2236 38.6616 173.9126 69 P 4.2087 0.0000 0.0000 65.5036 31.8991 177.7361 70 H 4.3077 8.1188 116.7134 58.1529 28.5894 175.8630 71 D 4.6675 7.8995 114.6633 52.1542 39.8656 176.2647 72 G 3.8326 7.9989 107.1382 46.4352 0.0000 173.5525 73 K 4.5473 7.9477 118.1928 54.2984 35.3354 174.7434 74 D 5.2782 8.1597 121.4991 53.2847 42.8197 175.2885 75 Y 5.0409 9.4690 120.5870 56.0500 42.2918 174.2702 76 L 4.8683 9.1725 124.5108 54.2705 43.7230 175.2545 77 I 4.7195 9.0998 127.4419 59.4271 40.3504 174.3621 78 S 4.5062 8.8629 121.9286 56.9727 64.0074 172.9150 79 Y 5.5792 8.1019 126.2945 56.5486 36.4804 174.4838 80 H 4.6013 8.3026 120.0527 55.4756 30.9677 174.2027 81 D 5.4715 9.0924 121.5133 53.4699 44.0314 174.4780 82 C 5.4696 9.1458 117.5747 55.6597 41.3601 172.9580 83 C 5.4405 9.9268 121.1347 55.4654 44.2822 174.9737 84 G 4.0794 9.9084 106.8486 45.4706 0.0000 173.5588 85 K 4.5991 7.2940 116.9099 54.3092 36.1141 176.1615 86 T 4.0199 8.3477 111.4596 60.8323 69.4279 173.7306 87 A 3.8501 8.5377 124.0074 52.7976 18.5651 178.2953 88 C 3.9827 8.1159 124.1048 58.3594 43.6840 175.1948 89 G 3.1785 5.6693 104.6123 45.0094 0.0000 172.9122 90 R 4.4971 7.0805 117.6811 55.5939 33.0895 176.5343 91 C 4.3141 8.7114 116.7384 58.1648 37.6453 173.1667 92 Q 4.7050 7.9060 119.0573 56.2886 30.1095 175.3103 93 C 5.0722 9.1535 121.7622 54.9686 44.8230 173.3768 94 N 5.2630 8.0333 117.4085 52.9329 37.7994 173.6980 95 T 4.4646 8.5798 118.8648 62.2140 71.4890 176.7152 96 Q 4.5846 8.2387 122.3413 55.7767 31.1455 175.2001 97 T 3.9821 7.9610 116.9725 65.1540 68.5230 174.6988 98 R 3.9191 8.8168 123.6990 56.4879 27.9486 175.8452 99 E 4.4048 7.9825 119.5353 56.3286 30.3213 176.0285 100 R 4.7545 8.8331 123.8898 53.4437 35.1656 172.8712 101 P 4.3444 0.0000 0.0000 61.9640 32.2108 177.8631 102 G 3.7071 8.2809 109.4702 48.7146 0.0000 174.1370 103 Y 4.4333 7.3009 115.5644 58.1667 39.0430 175.2095 104 E 4.8558 8.0522 120.1597 55.3442 30.5746 176.1831 105 F 4.0069 8.4163 125.4316 61.7304 39.9066 176.6303 106 F 4.3452 8.2551 114.5116 58.1922 38.7779 175.6501 107 L 4.8072 8.3631 120.3495 54.5409 42.3680 174.9182 108 H 5.5648 8.3237 119.3384 54.0372 30.7540 174.2396 109 N 4.9149 8.7934 123.3560 52.9415 37.3022 174.4636 110 D 4.5734 7.2708 115.8848 54.3901 41.0355 176.3205 111 V 4.0793 6.6114 111.4471 58.9514 35.0688 175.1371 112 N 4.1698 7.9768 120.5627 52.8276 38.1876 175.2850 113 W 4.6352 8.2802 124.3861 57.7316 28.7392 176.6364 114 C 4.8952 8.3700 116.0785 56.7313 40.4022 175.3098 115 M 3.6286 7.9468 117.8893 57.7230 30.4750 177.1384 116 A 4.6680 7.9541 118.8586 51.7217 19.7649 175.9025 117 N 4.7475 8.1721 115.1707 52.6948 39.5125 174.9545 118 E 4.0343 8.9123 120.6078 58.7859 29.6383 176.7940 119 N 4.9252 7.8742 115.8679 51.7599 41.1395 173.5384 120 S 4.7000 8.8019 119.1261 59.0216 63.7190 174.1138 121 T 4.0888 8.0912 119.9703 63.9590 69.1259 173.2429 122 F 4.6949 9.0070 129.5008 58.6721 39.9995 173.0832 123 H 4.8145 8.5081 125.1463 57.0535 31.4918 171.6043 124 C 4.9215 7.1739 109.8290 54.8196 45.9371 171.5250 125 T 5.2981 9.6201 116.7094 62.0965 71.0042 174.2736 126 T 4.7978 9.1166 116.1604 60.5771 71.9982 173.7732 127 S 4.5597 8.4362 118.2977 56.5430 63.7577 172.1445 128 V 3.8396 8.3874 123.4525 61.6536 32.8159 174.2805 129 L 4.2211 8.3686 130.8502 55.1918 41.9963 176.2520 130 V 3.8447 9.0549 127.7254 63.8076 32.4949 176.0081 131 G 4.1246 7.6270 104.3559 46.1130 0.0000 171.0465 132 L 4.4155 8.3585 119.6535 54.5322 42.2309 177.4605 133 A 4.1532 8.6874 126.2659 51.8548 19.0355 177.8829 134 K 3.9396 8.3986 121.0449 57.3286 33.1903 174.8230 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 22 E 8.29 4.25 0.00 2.01 2.01 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 2.26 2.28 0.00 23 D 7.87 4.30 0.00 2.97 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 24 E 8.72 4.03 0.00 2.02 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 2.50 2.42 0.00 25 V 7.27 2.70 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.88 0.00 0.00 26 N 7.23 4.85 0.00 2.82 2.81 0.00 0.00 6.68 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 27 S 7.53 4.82 0.00 3.90 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 28 C 8.89 4.51 0.00 3.04 3.17 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 29 D 7.83 4.35 0.00 2.75 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 30 Y 8.05 4.38 0.00 3.21 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 31 W 8.72 4.32 0.00 3.64 3.07 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 32 R 5.84 3.15 0.00 1.16 1.41 0.00 2.97 0.00 0.00 2.70 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 33 H 7.88 5.11 0.00 3.35 3.30 0.00 5.62 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 C 8.39 4.50 0.00 3.07 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 35 A 7.50 4.76 1.06 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 36 V 7.50 3.37 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 0.92 0.00 0.00 0.92 0.00 0.00 37 D 9.45 4.87 0.00 2.48 2.41 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 38 G 7.26 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 F 8.00 5.30 0.00 3.09 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 40 L 8.50 4.30 0.00 1.75 1.58 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 41 C 9.02 4.24 0.00 3.12 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 42 S 7.99 4.09 0.00 3.96 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 43 C 8.21 4.72 0.00 3.04 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 C 8.40 4.70 0.00 2.97 2.96 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 45 G 8.66 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 46 G 7.68 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.15 4.70 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 1.19 0.00 0.00 48 T 8.50 4.07 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 1.24 0.00 0.00 49 T 7.75 4.58 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 1.18 0.00 0.00 50 T 7.60 4.65 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 51 C 8.65 4.79 0.00 2.99 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 52 P 0.00 4.48 0.00 2.21 2.19 0.00 3.66 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 2.14 2.19 0.00 53 P 0.00 4.29 0.00 2.02 2.01 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 54 G 9.11 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 55 S 7.57 4.91 0.00 3.87 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 56 T 9.00 4.62 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 57 P 0.00 4.90 0.00 1.94 1.99 0.00 3.68 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 2.03 2.10 0.00 58 S 8.70 4.92 0.00 4.15 4.03 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 59 P 0.00 4.38 0.00 2.26 2.27 0.00 3.85 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 2.10 2.03 0.00 60 I 7.23 4.56 2.07 0.00 0.00 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 1.71 1.23 1.09 0.00 0.00 61 S 7.03 3.71 0.00 3.72 2.81 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 0.00 0.00 0.00 *63 I 8.53 4.20 1.87 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 1.15 0.41 0.98 0.00 0.00 64 G 9.19 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.68 5.14 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 1.27 0.00 0.00 66 C 9.34 5.19 0.00 3.20 3.41 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 67 H 8.88 5.23 0.00 3.21 3.26 0.00 5.74 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 68 N 8.99 3.60 0.00 1.44 2.48 0.00 0.00 6.55 8.36 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 69 P 0.00 4.21 0.00 2.08 2.11 0.00 3.26 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 1.56 1.89 0.00 70 H 8.12 4.31 0.00 3.15 3.34 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 7.90 4.67 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.00 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 0.00 0.00 0.00 73 K 7.95 4.55 0.00 1.51 1.27 0.00 1.76 0.00 0.00 1.50 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.22 1.49 7.81 74 D 8.16 5.28 0.00 2.53 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.47 5.04 0.00 3.25 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 76 L 9.17 4.87 0.00 1.76 1.57 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 77 I 9.10 4.72 1.51 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.80 0.14 0.00 0.00 78 S 8.86 4.51 0.00 3.72 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.10 5.58 0.00 2.85 2.91 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 80 H 8.30 4.60 0.00 3.12 3.26 0.00 5.60 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 9.09 5.47 0.00 2.89 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 82 C 9.15 5.47 0.00 2.85 2.99 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 83 C 9.93 5.44 0.00 2.82 3.26 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 84 G 9.91 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 85 K 7.29 4.60 0.00 1.39 1.45 0.00 1.54 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.25 1.31 7.81 86 T 8.35 4.02 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 1.22 0.00 0.00 87 A 8.54 3.85 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 88 C 8.12 3.98 0.00 2.43 2.76 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 89 G 5.67 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 0.00 0.00 0.00 90 R 7.08 4.50 0.00 1.71 1.81 0.00 3.27 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 91 C 8.71 4.31 0.00 3.16 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 92 Q 7.91 4.70 0.00 2.34 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.13 0.00 93 C 9.15 5.07 0.00 2.75 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 94 N 8.03 5.26 0.00 2.57 2.61 0.00 0.00 6.99 7.70 0.00 0.00 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 T 8.58 4.46 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 1.26 0.00 0.00 96 Q 8.24 4.58 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.07 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 97 T 7.96 3.98 4.38 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 1.31 0.00 0.00 98 R 8.82 3.92 0.00 2.02 2.10 0.00 3.40 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 99 E 7.98 4.40 0.00 1.96 1.90 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 2.49 2.51 0.00 100 R 8.83 4.75 0.00 1.66 1.70 0.00 3.36 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 101 P 0.00 4.34 0.00 0.78 1.69 0.00 3.14 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 102 G 8.28 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 0.00 103 Y 7.30 4.43 0.00 3.04 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 0.00 104 E 8.05 4.86 0.00 2.03 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 0.00 2.39 2.37 0.00 105 F 8.42 4.01 0.00 3.01 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 0.00 106 F 8.26 4.35 0.00 3.12 2.96 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 0.00 107 L 8.36 4.81 0.00 1.82 1.67 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 108 H 8.32 5.56 0.00 3.14 3.12 0.00 5.57 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 0.00 109 N 8.79 4.91 0.00 2.72 2.77 0.00 0.00 6.98 8.22 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 0.00 110 D 7.27 4.57 0.00 2.38 2.57 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 0.00 111 V 6.61 4.08 1.52 0.00 0.00 0.00 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 -0.38 0.00 0.00 112 N 7.98 4.17 0.00 2.61 2.56 0.00 0.00 6.97 7.95 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 0.00 113 W 8.28 4.64 0.00 3.47 3.23 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 0.00 114 C 8.37 4.90 0.00 3.42 3.22 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 0.00 115 M 7.95 3.63 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 116 A 7.95 4.67 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 0.00 117 N 8.17 4.75 0.00 2.99 2.91 0.00 0.00 6.81 7.67 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 0.00 118 E 8.91 4.03 0.00 1.95 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 2.32 2.34 0.00 119 N 7.87 4.93 0.00 2.68 2.66 0.00 0.00 6.99 7.63 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 0.00 120 S 8.80 4.70 0.00 4.06 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 0.00 121 T 8.09 4.09 4.33 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 1.29 0.00 0.00 122 F 9.01 4.69 0.00 3.21 3.07 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 0.00 123 H 8.51 4.81 0.00 3.32 3.29 0.00 5.86 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 C 7.17 4.92 0.00 3.20 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 0.00 125 T 9.62 5.30 4.38 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 1.41 0.00 0.00 126 T 9.12 4.80 4.53 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 1.26 0.00 0.00 127 S 8.44 4.56 0.00 3.81 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 0.00 128 V 8.39 3.84 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 0.85 0.00 0.00 0.92 0.00 0.00 129 L 8.37 4.22 0.00 1.57 1.51 0.75 1.09 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 0.00 130 V 9.05 3.84 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 0.77 0.00 0.00 0.91 0.00 0.00 131 G 7.63 4.12 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 0.00 0.00 0.00 132 L 8.36 4.42 0.00 1.48 1.46 0.85 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.69 4.15 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 134 K 8.40 3.94 0.00 1.67 1.63 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.18 1.23 7.81 * Residues marked with a * may have inaccurate shift predictions.