NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 M 4.2880 8.4045 120.3251 55.3682 34.8039 176.8474 *27 R 4.4081 7.7766 115.3147 56.9423 32.2976 180.7277 28 L 4.3529 7.9968 124.3898 60.2049 40.8826 181.6986 29 T 4.1714 7.8925 115.1664 65.8293 68.4035 177.9701 30 N 4.5596 8.1149 118.7910 56.3211 38.7013 177.2274 31 Q 4.0343 8.1285 119.2899 59.1784 28.8113 179.2091 32 L 4.0931 8.0836 119.8200 57.8148 41.5930 179.2968 33 Q 3.9896 8.5642 120.0200 59.3708 28.9776 177.7821 34 Y 4.0277 8.3410 120.6670 60.6219 38.8335 177.8989 35 L 4.0828 8.2292 120.0770 57.6764 41.5735 179.3026 36 Q 3.9189 8.3692 119.5727 59.2422 29.0104 178.0731 37 K 4.0767 8.2217 117.9116 57.9238 32.5368 177.6294 38 V 4.0174 7.1831 115.6160 64.5917 33.1721 177.2056 39 V 3.4836 7.5418 117.7211 65.7107 31.4905 177.7277 40 L 4.1640 8.8145 119.9621 58.2080 42.1146 178.8172 41 K 3.8696 7.7297 119.6839 60.1329 31.7936 178.2067 42 D 4.4493 7.9984 117.2515 57.2607 41.0851 178.5588 43 L 4.2706 8.1468 119.5805 57.5057 41.4959 178.9494 44 W 4.3748 8.7606 127.4801 60.7602 30.7520 177.6237 45 K 4.2861 8.1273 114.9837 56.8849 32.2751 177.0185 46 H 4.3481 7.5838 120.0755 55.7452 30.3401 176.1672 47 S 4.3869 8.2139 119.1487 60.4114 63.1034 174.7374 48 F 5.2172 8.3634 118.7884 57.5539 39.0946 176.4435 49 S 4.6866 8.1964 117.1499 59.3464 63.7082 176.2919 50 W 4.3247 8.2701 118.9649 59.1332 27.8172 176.1272 51 P 3.8419 0.0000 0.0000 63.8185 30.8306 176.6413 52 F 4.7628 8.0182 116.7709 56.8608 39.4220 174.6541 53 Q 5.1276 7.6686 118.5348 54.0788 31.8874 175.1179 54 R 4.6878 9.4375 119.1152 53.6115 33.4631 174.1655 55 P 4.5149 0.0000 0.0000 62.8459 32.3428 176.6440 56 V 4.0438 8.4047 119.0279 60.9135 31.9739 176.6944 57 D 4.5967 8.4768 126.5406 50.7209 41.2768 172.8455 *60 K 4.1333 8.0562 129.9031 53.5942 33.0238 174.8132 61 L 4.2655 7.4742 123.0373 54.5494 43.4125 177.1150 62 Q 4.2335 8.5907 125.0085 55.6920 30.7384 177.3963 63 L 4.1263 8.5104 123.5124 57.4594 41.8226 177.9096 64 P 4.3528 0.0000 0.0000 66.3821 30.9301 178.1505 65 D 4.4233 8.1431 117.9427 56.9189 40.8807 177.8023 66 Y 4.1202 8.3113 120.2880 60.9013 38.8133 177.5968 67 Y 3.9423 8.3165 120.3635 60.9552 38.6738 177.8954 68 T 3.6814 7.6426 115.3615 66.8607 68.9205 176.1126 69 I 3.5212 7.4430 121.4407 64.3202 36.9963 178.4503 70 I 3.7552 7.0694 111.4911 62.4027 37.7604 177.0973 71 K 3.7066 7.2567 119.7640 58.1776 32.5696 176.4523 72 N 4.4467 7.2475 118.4682 52.2381 38.5966 172.9265 73 P 4.3478 0.0000 0.0000 63.9795 32.0512 175.6224 74 M 4.4944 7.7788 119.2874 53.9722 33.5459 174.7313 75 D 4.7921 7.9585 123.7451 50.9251 44.1508 176.2754 76 L 3.9843 9.1365 119.7084 57.7855 41.3543 179.5778 77 N 4.4819 8.4541 116.2169 56.8743 38.5412 177.2839 78 T 3.7732 8.3707 117.0236 66.5642 68.4993 176.9425 79 I 3.6725 7.3376 121.2998 64.1217 37.1078 178.1795 80 K 3.7629 8.1596 120.7348 59.6206 31.9043 178.8986 81 K 4.1775 8.1353 120.1172 59.0118 31.9134 179.5558 82 R 3.6656 7.7747 118.3307 59.1949 29.6300 179.1698 83 L 4.2565 7.9276 117.8769 57.8125 41.3699 179.0818 84 E 4.1835 8.2412 118.7121 58.4337 29.1051 177.9284 85 N 4.8102 8.0363 114.4776 51.9480 39.7624 174.8344 86 K 3.8966 8.2112 117.0462 57.6754 29.9066 176.0677 87 Y 4.0803 8.3293 121.1636 60.1519 39.1292 175.1776 88 Y 4.5695 7.7421 117.0427 57.2325 38.7522 175.2597 89 A 4.3476 8.8708 127.6640 53.4709 19.6187 177.5553 90 K 4.6789 7.8947 114.0180 53.5498 36.3764 177.2172 91 A 4.0236 8.7209 124.1422 55.2387 18.2667 180.2934 92 S 4.1503 8.1012 112.4120 61.6987 62.5991 176.5100 93 E 4.3552 8.0520 123.5361 58.5445 29.2427 178.7721 94 C 3.2616 7.3596 118.3943 62.2793 31.5990 175.4202 95 I 4.0538 7.7386 121.3892 64.6548 36.2038 178.2008 96 E 4.0276 8.3734 119.3624 59.4815 29.2184 179.2606 97 D 4.3542 7.8566 117.6169 57.2847 40.9222 178.5891 98 F 3.7016 7.9328 118.0827 60.5680 38.8344 177.1766 99 N 4.4387 8.5443 116.6851 57.0362 38.6399 176.8333 100 T 3.8281 8.1924 117.4482 66.8323 68.6671 175.9335 101 M 3.7924 7.8324 119.8294 58.7406 32.2070 178.2751 102 F 3.8071 7.4358 117.4667 60.5100 39.1129 177.6674 103 S 4.1828 8.3249 115.1300 61.9714 62.5338 176.7496 104 N 4.4734 8.3559 119.0834 56.2676 38.3165 176.8114 105 C 4.1159 7.7700 119.6083 63.0707 31.2412 175.4671 106 Y 4.5495 7.5868 118.0007 60.9865 37.1901 178.4456 107 L 3.9354 7.9277 120.7266 57.2469 42.1796 177.0770 108 Y 4.7749 7.3465 113.2297 57.5584 38.3371 174.4996 109 N 5.1922 7.6639 115.3854 51.2560 42.8163 173.8992 110 K 4.4667 8.9296 118.9310 54.7495 33.3966 176.4980 111 P 4.2030 0.0000 0.0000 65.9702 31.2708 178.1241 112 G 3.7461 7.9678 104.4140 47.2053 0.0000 174.1716 113 D 4.5087 8.0496 121.0634 54.0448 42.7246 176.7221 114 D 4.3246 8.7284 123.1231 57.8895 40.8416 179.3424 115 I 3.5779 7.6596 118.2539 63.8817 37.8993 178.0017 116 V 3.8220 7.7327 118.8732 66.0175 31.5352 177.9311 117 L 4.2988 7.9235 120.1542 57.4013 41.3974 179.4581 118 M 3.9967 8.1654 118.5831 58.2488 31.8724 178.5126 119 A 3.8348 8.4658 121.1244 55.3442 18.5144 179.6681 120 Q 4.0781 8.8067 117.7201 58.5162 28.9078 179.0269 121 A 4.1507 8.1364 121.7439 55.2052 18.4632 179.6966 122 L 3.9570 8.0464 117.5948 57.8782 41.6612 179.4153 123 E 3.4111 8.4690 119.7799 58.8185 29.4500 178.9729 124 K 3.9256 8.0974 118.6827 59.2402 32.0656 179.0682 125 L 3.9286 7.8215 120.1837 58.0106 42.0197 178.4639 126 F 4.0735 8.5777 121.0634 61.9694 39.3184 177.1731 127 M 3.7941 8.1554 117.9050 58.0550 31.4356 178.8709 128 Q 3.9237 7.8259 117.5242 58.9790 29.2670 178.6632 129 K 4.1395 8.0725 119.4807 59.2380 32.0703 178.9880 130 L 3.8132 7.8927 121.0364 58.5054 41.6744 179.2466 131 S 4.1247 7.7811 113.3502 61.1067 62.7543 175.7638 132 Q 4.3592 7.4376 118.0927 54.7806 29.1921 175.4102 133 M 2.9267 7.1040 121.0924 53.8512 32.8084 174.3035 134 P 4.1514 0.0000 0.0000 63.5178 32.1408 177.0472 135 Q 4.2037 8.4262 119.5305 55.0750 28.7621 173.4320 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 M 8.40 4.29 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 *27 R 7.78 4.41 0.00 1.76 1.97 0.00 3.25 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 28 L 8.00 4.35 0.00 1.64 1.70 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.89 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 30 N 8.11 4.56 0.00 2.91 2.91 0.00 0.00 7.13 7.88 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 31 Q 8.13 4.03 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.62 0.00 32 L 8.08 4.09 0.00 1.84 1.81 1.04 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.56 3.99 0.00 2.26 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 34 Y 8.34 4.03 0.00 3.18 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 L 8.23 4.08 0.00 2.07 1.86 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.37 3.92 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 37 K 8.22 4.08 0.00 1.85 1.81 0.00 1.59 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.46 7.81 38 V 7.18 4.02 1.13 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 0.66 0.00 0.00 0.70 0.00 0.00 39 V 7.54 3.48 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.85 0.00 0.00 40 L 8.81 4.16 0.00 2.06 1.96 1.17 0.49 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 41 K 7.73 3.87 0.00 1.79 2.04 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.57 7.81 42 D 8.00 4.45 0.00 2.98 2.77 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 43 L 8.15 4.27 0.00 2.15 1.94 1.16 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 44 W 8.76 4.37 0.00 3.57 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 45 K 8.13 4.29 0.00 1.91 1.93 0.00 1.76 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.70 1.87 7.81 46 H 7.58 4.35 0.00 3.41 3.36 0.00 5.59 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.21 4.39 0.00 4.09 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 48 F 8.36 5.22 0.00 3.12 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 49 S 8.20 4.69 0.00 4.03 4.46 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 0.00 0.00 0.00 0.00 50 W 8.27 4.32 0.00 3.57 3.37 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 51 P 0.00 3.84 0.00 0.49 1.15 0.00 3.10 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.44 0.00 52 F 8.02 4.76 0.00 3.11 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 53 Q 7.67 5.13 0.00 2.01 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.32 6.61 0.00 0.00 0.00 0.00 0.00 1.82 2.22 0.00 54 R 9.44 4.69 0.00 1.73 1.79 0.00 3.28 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 55 P 0.00 4.51 0.00 2.22 2.10 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 56 V 8.40 4.04 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 0.73 0.00 0.00 0.93 0.00 0.00 57 D 8.48 4.60 0.00 2.63 2.46 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 0.00 0.00 0.00 0.00 *60 K 8.06 4.13 0.00 1.79 1.72 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 61 L 7.47 4.27 0.00 1.60 1.64 1.17 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.59 4.23 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 63 L 8.51 4.13 0.00 1.72 1.78 0.92 0.93 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 64 P 0.00 4.35 0.00 2.32 2.38 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 65 D 8.14 4.42 0.00 3.00 2.84 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 66 Y 8.31 4.12 0.00 3.08 3.21 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 67 Y 8.32 3.94 0.00 3.17 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 68 T 7.64 3.68 4.36 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 1.19 0.00 0.00 69 I 7.44 3.52 1.76 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 1.16 1.01 0.72 0.00 0.00 70 I 7.07 3.76 1.60 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 1.05 0.20 0.22 0.00 0.00 71 K 7.26 3.71 0.00 1.44 0.82 0.00 1.34 0.00 0.00 1.15 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.26 1.08 7.81 72 N 7.25 4.45 0.00 2.67 2.67 0.00 0.00 7.18 7.57 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 73 P 0.00 4.35 0.00 2.16 2.08 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.89 0.00 74 M 7.78 4.49 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 75 D 7.96 4.79 0.00 3.12 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 76 L 9.14 3.98 0.00 2.00 2.21 1.13 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.45 4.48 0.00 3.09 2.96 0.00 0.00 7.18 7.05 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 78 T 8.37 3.77 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 1.05 0.00 0.00 79 I 7.34 3.67 1.71 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.55 0.64 0.00 0.00 80 K 8.16 3.76 0.00 1.59 1.83 0.00 0.76 0.00 0.00 0.61 0.00 0.00 2.41 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.30 1.18 7.81 81 K 8.14 4.18 0.00 1.90 1.74 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.21 7.81 82 R 7.77 3.67 0.00 1.74 0.98 0.00 2.88 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.43 0.00 83 L 7.93 4.26 0.00 1.84 1.80 1.05 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.24 4.18 0.00 2.14 1.96 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 2.27 2.39 0.00 85 N 8.04 4.81 0.00 2.74 2.80 0.00 0.00 7.16 7.16 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 86 K 8.21 3.90 0.00 1.86 1.88 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.49 7.81 87 Y 8.33 4.08 0.00 2.63 2.64 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 88 Y 7.74 4.57 0.00 3.11 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 89 A 8.87 4.35 1.26 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 0.00 0.00 90 K 7.89 4.68 0.00 1.79 1.66 0.00 1.69 0.00 0.00 1.97 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.44 7.81 91 A 8.72 4.02 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 92 S 8.10 4.15 0.00 4.08 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 0.00 93 E 8.05 4.36 0.00 2.38 2.31 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 2.41 2.23 0.00 94 C 7.36 3.26 0.00 2.12 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 95 I 7.74 4.05 2.10 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.86 1.08 0.00 0.00 96 E 8.37 4.03 0.00 2.27 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 2.38 2.46 0.00 97 D 7.86 4.35 0.00 2.84 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 F 7.93 3.70 0.00 3.13 2.53 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 99 N 8.54 4.44 0.00 3.01 3.06 0.00 0.00 7.28 8.06 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 0.00 100 T 8.19 3.83 4.36 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 1.19 0.00 0.00 101 M 7.83 3.79 0.00 1.53 1.71 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.16 0.00 102 F 7.44 3.81 0.00 2.97 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 0.00 103 S 8.32 4.18 0.00 4.08 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 0.00 104 N 8.36 4.47 0.00 2.94 2.96 0.00 0.00 6.69 8.46 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 0.00 105 C 7.77 4.12 0.00 2.99 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 0.00 106 Y 7.59 4.55 0.00 3.19 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 0.00 107 L 7.93 3.94 0.00 1.53 1.16 0.68 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 108 Y 7.35 4.77 0.00 3.10 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 0.00 109 N 7.66 5.19 0.00 2.92 2.89 0.00 0.00 6.87 7.49 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 0.00 110 K 8.93 4.47 0.00 2.25 1.72 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.27 7.81 111 P 0.00 4.20 0.00 2.01 2.10 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 112 G 7.97 3.75 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 0.00 0.00 0.00 113 D 8.05 4.51 0.00 2.81 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.73 4.32 0.00 2.63 2.64 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 0.00 115 I 7.66 3.58 1.72 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.16 0.90 0.00 0.00 116 V 7.73 3.82 2.30 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 1.22 0.00 0.00 1.09 0.00 0.00 117 L 7.92 4.30 0.00 1.70 1.70 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 118 M 8.17 4.00 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.40 0.00 119 A 8.47 3.83 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 0.00 120 Q 8.81 4.08 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.46 0.00 121 A 8.14 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.05 3.96 0.00 1.91 1.85 1.00 0.86 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 0.00 123 E 8.47 3.41 0.00 1.16 1.77 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 2.01 1.47 0.00 124 K 8.10 3.93 0.00 1.99 1.83 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.63 7.81 125 L 7.82 3.93 0.00 1.81 1.86 0.95 0.73 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 0.00 126 F 8.58 4.07 0.00 3.17 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 0.00 127 M 8.16 3.79 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.60 0.00 128 Q 7.83 3.92 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 129 K 8.07 4.14 0.00 1.68 1.82 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.60 1.67 7.81 130 L 7.89 3.81 0.00 1.24 1.48 0.76 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 131 S 7.78 4.12 0.00 4.11 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 0.00 132 Q 7.44 4.36 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 133 M 7.10 2.93 0.00 1.75 1.51 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.11 0.00 134 P 0.00 4.15 0.00 1.94 1.88 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 135 Q 8.43 4.20 0.00 2.03 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.65 0.00 0.00 0.00 0.00 0.00 2.17 1.88 0.00 * Residues marked with a * may have inaccurate shift predictions.