NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6261 8.1633 120.2744 55.2169 34.1534 173.8223 2 K 4.5271 8.8485 120.0954 53.6967 36.8893 173.2118 3 K 4.8048 10.0136 124.9564 55.1349 34.6610 174.6638 4 I 4.8243 8.9010 128.6760 59.7609 39.3584 174.4770 5 E 5.2656 9.1347 126.5401 54.6107 33.0563 175.0713 6 A 4.6533 8.6000 123.1337 50.4521 23.4662 175.1279 7 I 4.8618 8.3544 122.7859 59.5581 39.5811 174.9589 8 I 4.8781 8.4697 120.3402 58.2764 41.5430 175.0801 9 R 4.1434 7.8804 121.8909 57.2055 30.6434 178.1552 10 S 4.1294 9.0690 119.7296 61.8513 62.6748 176.5894 11 D 4.4979 8.0356 119.8070 55.4497 39.5155 177.4954 12 K 4.3065 7.9166 119.0685 56.2684 32.4558 177.8166 13 L 3.9033 7.6855 122.4406 58.3541 41.9338 178.6170 14 E 3.9169 8.0558 118.3466 59.5017 29.4106 178.3334 15 D 4.4441 8.0757 118.1345 56.7463 40.7920 178.5539 16 L 3.9393 7.9376 121.4054 57.9164 42.2005 178.4866 17 K 3.8147 7.8398 118.9132 59.6366 32.0924 178.5089 18 A 3.9308 8.0379 120.4817 55.0706 18.2261 179.3134 19 A 3.9467 7.6352 118.8703 55.5706 18.4940 179.9676 20 L 4.0624 8.4761 117.7482 57.5240 41.7684 179.7092 21 V 3.5918 8.2940 118.8961 66.2903 31.2036 178.2119 22 Q 3.9685 7.6423 115.6997 59.0187 28.7278 178.4893 23 S 4.0817 7.5571 114.1641 59.1392 62.7648 175.3235 24 G 3.7349 7.4665 109.3098 46.4039 0.0000 174.7592 25 F 5.1579 7.9112 117.3525 57.2196 39.6056 177.4593 26 I 3.6894 7.7648 119.3128 64.1342 37.6235 177.1298 27 K 4.0951 8.3222 118.7823 59.5610 31.6006 177.8869 28 G 3.7506 8.0815 104.2306 45.1489 0.0000 172.2760 29 M 4.8954 7.7430 121.3812 54.1844 34.4008 175.2268 30 T 4.9040 8.8287 120.9435 61.6382 72.6631 172.9081 31 I 5.2305 8.4032 117.9210 59.1731 40.6058 174.5476 32 S 4.8343 9.0353 118.3924 56.8069 66.9433 172.3541 33 Q 5.0621 8.5841 119.2869 54.6089 30.3890 175.3907 34 V 4.5861 8.7298 115.7405 59.7814 36.9271 173.9274 35 L 4.7991 8.4382 121.5733 53.5541 43.1762 176.5351 36 G 4.2889 8.5308 112.2021 44.6876 0.0000 171.5887 37 F 5.9810 8.0167 116.4622 56.0258 42.8666 174.5957 38 G 4.0355 8.4278 110.4171 45.2633 0.0000 172.7444 *55 T 4.1889 7.6110 109.8009 61.4647 70.5145 172.4676 56 L 4.8588 8.5613 126.2877 53.5248 43.7081 175.2512 57 L 4.8206 8.6131 125.7603 52.7743 45.5218 175.4001 58 A 4.7135 8.5749 125.0711 50.8943 19.7506 176.3970 59 K 4.6372 8.9802 121.4554 54.9027 36.7121 175.2199 60 V 4.6583 8.3243 120.9406 61.1706 33.9483 174.0661 61 K 4.9259 9.1154 129.4049 54.9228 34.1771 175.2357 62 V 4.9113 8.9417 120.8041 59.8399 34.9411 174.7427 63 E 5.1880 8.8325 121.9553 54.9995 33.9516 174.6435 64 I 5.0768 8.7875 123.9394 58.5224 41.9732 174.1677 65 V 4.8009 8.4570 125.4170 61.1537 33.1393 174.5373 66 A 4.7220 8.8452 128.9015 49.9343 23.0009 175.0736 67 H 4.3333 8.6505 117.1692 55.7585 29.8301 176.2299 68 D 4.3054 8.9826 122.2587 57.7092 40.7745 178.7603 69 A 4.0593 8.0523 119.1502 54.4357 18.6484 178.3302 70 A 4.3691 7.8214 117.9363 52.8154 19.1525 179.4952 71 V 3.4201 7.4620 117.2016 65.9288 31.6472 177.6399 72 E 3.9399 8.1808 117.8054 59.6874 29.2815 179.0062 73 E 4.0103 8.1367 118.5927 59.2706 29.7028 178.3343 74 M 4.0491 8.2364 118.8174 58.4268 32.1710 178.3427 75 I 3.6679 8.0673 120.3525 64.6634 37.3349 178.4182 76 T 3.8605 7.9906 116.5311 66.9536 68.2707 176.6476 77 T 3.8771 8.1175 117.5184 66.8635 68.0816 176.5673 78 I 3.6949 8.0641 121.8804 64.5812 37.1618 178.7102 79 S 4.1573 8.3536 116.2926 61.6491 62.4871 176.8303 80 Q 4.0023 8.0261 118.8143 59.2260 28.5379 178.0578 81 A 4.1205 8.1252 121.6376 53.8402 18.4422 178.0336 82 V 4.1258 7.1192 113.1719 62.1161 33.4805 174.9908 83 K 3.7184 7.6692 119.8067 56.7180 31.7216 175.8836 84 T 4.0489 8.5456 116.6205 61.7594 68.8413 174.1261 85 G 3.7347 8.6762 109.4984 47.6239 0.0000 173.5134 86 E 4.3374 7.8985 114.0381 54.9992 31.8532 175.8409 87 V 4.1878 7.9718 115.3853 61.0933 35.1270 175.5583 88 G 3.8979 9.0148 118.9461 47.0218 0.0000 173.4291 89 D 4.5452 7.8746 120.2183 54.2090 41.3681 179.4902 90 G 4.8534 7.2510 108.4218 45.2444 0.0000 171.8936 91 K 4.6661 7.6741 121.3150 55.5434 36.1240 175.2502 92 I 4.6133 8.2536 122.9151 59.4813 39.7296 174.7927 93 F 5.1685 8.4610 125.4663 55.6097 42.5355 174.3387 94 V 5.0079 8.5455 121.3836 61.2692 33.8616 174.6509 95 S 4.9345 9.0718 121.2337 55.8390 66.9221 171.4596 96 P 4.7377 0.0000 0.0000 62.7372 32.3463 175.6410 97 V 4.2837 7.7095 120.6078 61.3720 32.8868 175.1337 98 D 4.5226 9.0398 128.5986 57.0115 40.9708 176.2509 99 E 4.7002 7.5756 112.8045 55.2188 32.0548 173.7430 100 I 4.4387 8.1172 119.3974 59.0313 40.5087 174.5993 101 V 4.2825 8.2454 126.5760 61.0179 33.0054 174.9097 102 R 4.3110 8.4335 126.5641 55.1233 30.7380 176.2495 103 I 3.8825 8.3773 127.0772 61.2875 37.8886 176.9296 104 R 4.1313 8.7781 122.2860 56.8513 29.0592 173.5125 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 M 8.16 4.63 0.00 1.90 2.02 0.00 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 2 K 8.85 4.53 0.00 1.59 1.75 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.58 7.81 3 K 10.01 4.80 0.00 1.78 1.68 0.00 1.61 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.53 7.81 4 I 8.90 4.82 1.80 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 1.18 0.49 0.84 0.00 0.00 5 E 9.13 5.27 0.00 2.06 1.82 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 0.00 2.27 2.28 0.00 6 A 8.60 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.35 4.86 1.86 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 1.24 1.43 0.92 0.00 0.00 8 I 8.47 4.88 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 0.83 0.86 0.00 0.00 9 R 7.88 4.14 0.00 1.89 2.14 0.00 3.13 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 10 S 9.07 4.13 0.00 3.91 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 11 D 8.04 4.50 0.00 2.82 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 12 K 7.92 4.31 0.00 1.97 1.85 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.70 7.81 13 L 7.69 3.90 0.00 1.87 1.67 0.91 0.71 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 14 E 8.06 3.92 0.00 2.11 1.92 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 2.37 2.45 0.00 15 D 8.08 4.44 0.00 2.72 2.78 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 0.00 0.00 0.00 16 L 7.94 3.94 0.00 1.76 1.80 0.92 0.49 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 17 K 7.84 3.81 0.00 1.89 1.95 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.48 7.81 18 A 8.04 3.93 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 19 A 7.64 3.95 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 20 L 8.48 4.06 0.00 1.70 1.82 0.94 0.90 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 21 V 8.29 3.59 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 1.02 0.00 0.00 0.95 0.00 0.00 22 Q 7.64 3.97 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 23 S 7.56 4.08 0.00 3.73 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.47 3.73 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 0.00 0.00 0.00 25 F 7.91 5.16 0.00 3.09 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 26 I 7.76 3.69 1.98 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 1.54 1.24 0.93 0.00 0.00 27 K 8.32 4.10 0.00 1.81 1.90 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.55 7.81 28 G 8.08 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 29 M 7.74 4.90 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 30 T 8.83 4.90 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 31 I 8.40 5.23 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 1.40 0.53 0.90 0.00 0.00 32 S 9.04 4.83 0.00 3.85 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 33 Q 8.58 5.06 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 34 V 8.73 4.59 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 0.76 0.00 0.00 0.91 0.00 0.00 35 L 8.44 4.80 0.00 1.38 1.27 0.85 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.53 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 37 F 8.02 5.98 0.00 3.01 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 38 G 8.43 4.04 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 0.00 0.00 0.00 *55 T 7.61 4.19 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 1.24 0.00 0.00 56 L 8.56 4.86 0.00 1.71 1.61 0.83 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.61 4.82 0.00 1.47 1.44 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.57 4.71 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 59 K 8.98 4.64 0.00 1.62 1.72 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.30 7.81 60 V 8.32 4.66 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 0.99 0.00 0.00 0.91 0.00 0.00 61 K 9.12 4.93 0.00 1.82 1.64 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.40 7.81 62 V 8.94 4.91 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 0.72 0.00 0.00 0.88 0.00 0.00 63 E 8.83 5.19 0.00 1.87 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 2.23 2.28 0.00 64 I 8.79 5.08 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.19 0.81 0.00 0.00 65 V 8.46 4.80 2.05 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 0.74 0.00 0.00 0.91 0.00 0.00 66 A 8.85 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 H 8.65 4.33 0.00 3.26 3.24 0.00 5.84 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.98 4.31 0.00 2.78 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.05 4.06 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 70 A 7.82 4.37 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.46 3.42 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 1.09 0.00 0.00 0.94 0.00 0.00 72 E 8.18 3.94 0.00 2.02 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 2.41 2.33 0.00 73 E 8.14 4.01 0.00 2.12 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 0.00 2.45 2.42 0.00 74 M 8.24 4.05 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 75 I 8.07 3.67 2.01 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 1.49 0.62 0.90 0.00 0.00 76 T 7.99 3.86 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 1.23 0.00 0.00 77 T 8.12 3.88 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 1.27 0.00 0.00 78 I 8.06 3.69 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 1.50 1.28 0.86 0.00 0.00 79 S 8.35 4.16 0.00 4.03 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 80 Q 8.03 4.00 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 81 A 8.13 4.12 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 82 V 7.12 4.13 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 0.78 0.00 0.00 0.91 0.00 0.00 83 K 7.67 3.72 0.00 1.96 1.77 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.43 7.81 84 T 8.55 4.05 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 1.23 0.00 0.00 85 G 8.68 3.73 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 0.00 0.00 0.00 86 E 7.90 4.34 0.00 2.05 1.82 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 0.00 2.15 2.25 0.00 87 V 7.97 4.19 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 0.85 0.00 0.00 0.94 0.00 0.00 88 G 9.01 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 89 D 7.87 4.55 0.00 2.61 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.25 4.85 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 91 K 7.67 4.67 0.00 1.90 1.93 0.00 1.76 0.00 0.00 1.96 0.00 0.00 3.30 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.40 1.57 7.81 92 I 8.25 4.61 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.59 0.83 0.00 0.00 93 F 8.46 5.17 0.00 2.90 2.82 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 0.00 0.00 0.00 0.00 94 V 8.55 5.01 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 0.84 0.00 0.00 0.94 0.00 0.00 95 S 9.07 4.93 0.00 3.87 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 96 P 0.00 4.74 0.00 2.09 2.09 0.00 3.70 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 1.98 1.96 0.00 97 V 7.71 4.28 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 0.79 0.00 0.00 0.91 0.00 0.00 98 D 9.04 4.52 0.00 2.70 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 99 E 7.58 4.70 0.00 2.02 1.87 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 2.18 2.28 0.00 100 I 8.12 4.44 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 1.29 0.95 0.88 0.00 0.00 101 V 8.25 4.28 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 0.89 0.00 0.00 0.93 0.00 0.00 102 R 8.43 4.31 0.00 1.84 1.86 0.00 3.43 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 103 I 8.38 3.88 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 0.47 0.91 0.00 0.00 104 R 8.78 4.13 0.00 1.82 1.73 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 * Residues marked with a * may have inaccurate shift predictions.