NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.3262 8.3193 116.7978 59.1088 64.6439 173.6304 10 I 3.0629 6.7102 112.3494 58.8264 37.5757 172.5305 11 K 4.6390 8.0849 123.5341 53.9988 37.1192 174.7509 12 P 4.6169 0.0000 0.0000 62.0613 32.9504 175.7686 *15 T 4.3071 8.1245 113.2574 62.3679 70.3289 174.3754 16 R 4.5419 7.1443 120.8847 56.3943 32.7667 173.8509 17 R 4.5404 8.5120 116.1260 56.1409 29.8285 177.1005 18 E 5.7509 7.4505 124.0021 56.9047 33.2299 176.9566 19 Y 4.5096 8.3309 116.9995 58.6604 40.1297 176.4473 20 I 4.2638 7.6510 111.1937 60.8478 38.9213 176.5165 21 S 4.8082 7.5510 112.6517 56.5983 63.2788 174.2886 22 G 4.0051 8.1487 114.7967 46.7910 0.0000 168.6534 23 I 3.5031 8.0051 133.0567 60.4350 38.6649 171.8402 24 P 4.8270 0.0000 0.0000 61.5331 33.7930 174.4080 25 G 3.8626 8.3814 104.4587 44.6691 0.0000 175.7410 26 K 3.7163 8.3617 116.9091 55.7165 32.2502 173.6597 27 G 3.8109 7.8533 112.2999 46.1537 0.0000 172.4337 28 I 4.2447 7.5745 126.9994 60.8528 41.2793 174.0068 29 A 4.6319 8.3283 118.3903 54.4085 18.8227 175.2096 30 Q 2.9755 7.6910 118.5269 57.2525 28.6445 173.1414 31 F 4.3623 8.0789 116.1925 59.0111 40.1524 176.5655 32 K 4.3409 8.1014 123.6073 57.9221 34.1515 177.1826 33 M 4.3253 8.4563 119.3273 55.7080 34.6804 173.7885 34 G 4.4598 8.4669 105.7915 46.8508 0.0000 171.3591 35 N 5.0951 8.4015 116.7679 52.4865 43.4762 177.0744 36 N 3.9137 7.9668 113.8203 52.4654 42.3723 177.7851 *41 T 4.2105 8.5516 116.2431 63.8504 68.9593 172.9891 42 Y 4.5765 9.1082 124.0139 59.0583 38.6521 174.7162 43 P 4.4014 0.0000 0.0000 62.3340 32.1240 175.3521 44 A 3.3356 6.1001 121.6265 47.5435 18.7148 176.2422 45 Q 3.9614 8.2937 122.3463 54.6264 29.7883 174.8074 46 V 4.4579 7.6088 123.1644 61.1278 34.3085 174.3027 47 E 5.2649 8.4547 125.2500 56.6322 32.9394 173.2700 48 N 6.0775 9.0521 115.4133 53.0891 41.1900 174.1481 49 V 4.6287 8.3096 120.0353 62.1188 34.9786 171.7845 50 V 4.5552 7.4489 121.1284 62.8740 34.5195 175.6467 51 E 4.8192 8.4809 112.2221 56.8917 35.0842 176.4972 52 K 4.6022 8.2411 120.0109 55.6051 33.1083 174.4999 53 P 5.1337 0.0000 0.0000 60.8018 33.2533 175.3024 54 V 4.0720 8.2951 118.5414 60.0226 34.9036 171.5091 55 Q 4.3328 9.3756 128.5032 61.1625 26.6034 178.2987 56 I 3.2569 7.7309 118.1882 59.6475 36.6529 177.2838 57 R 4.5125 9.2270 127.5558 57.0620 28.7884 177.6917 58 H 4.1261 9.0333 115.5594 53.9158 32.2766 181.0600 59 N 3.7395 9.4508 110.5412 53.5905 40.5496 176.9606 60 A 3.8714 7.8923 121.2163 53.8255 22.0479 180.2285 61 L 3.9867 12.0000 115.2483 56.9976 41.3606 181.7347 62 E 3.0426 9.2084 120.4873 55.1141 32.0783 178.3656 63 A 4.1273 8.5754 113.1208 49.6083 20.7610 182.4225 64 A 3.3215 10.1207 122.6215 55.4646 19.3217 180.6131 65 R 3.4833 5.8400 123.2685 58.3392 30.6673 176.3221 66 N 4.2307 9.0366 115.8797 56.7662 38.4238 177.4109 67 A 4.3193 8.4216 121.2283 55.2983 18.6790 179.3412 68 A 4.2479 8.5035 120.1032 55.6850 18.7078 179.5666 69 N 3.9013 8.9939 115.5428 56.1586 37.0410 177.2504 70 R 3.8690 7.6580 119.3919 58.7238 30.1641 177.9644 71 F 4.6499 8.4815 115.2257 55.8141 40.1527 176.9286 72 V 4.0343 9.2135 115.2624 62.5889 30.0438 176.4891 73 Q 5.3843 8.2081 122.3668 56.2424 28.1775 173.0931 74 N 4.4321 7.9002 111.9903 52.7071 38.0851 174.9719 75 S 4.7027 9.0448 116.8943 57.4678 63.6994 173.2961 76 G 4.3642 8.2717 121.1203 45.6632 0.0000 172.7552 *82 K 4.0508 7.0158 118.0700 55.6476 32.6926 178.8259 83 F 3.3123 8.1910 113.2793 58.4216 39.8802 177.0542 84 R 4.3511 8.5433 119.9578 57.1423 31.4750 176.2664 85 I 4.9457 8.2218 112.4988 60.9615 39.9617 175.9029 86 R 5.3855 8.6891 129.7101 55.5238 29.1497 174.3146 87 K 3.3449 7.9576 116.4510 54.4598 36.3252 173.9853 88 F 4.4988 8.3387 115.7258 55.7140 37.8158 171.8478 89 P 5.4246 0.0000 0.0000 62.8997 32.1338 175.4454 90 F 4.8690 8.4487 113.9022 57.6640 42.5629 173.0193 91 H 5.0608 7.8132 115.1121 55.3234 32.2886 171.7564 92 V 4.6861 7.7609 109.8981 60.8254 35.3190 174.8873 93 I 4.5380 8.7626 129.2696 60.7818 37.8596 177.2254 94 R 5.8144 8.4991 130.9200 56.8170 31.3299 173.9858 95 E 4.6768 7.4969 125.0591 55.9233 33.6906 178.0844 96 Q 3.9659 9.1472 121.5230 56.9541 28.6965 175.2898 97 D 4.3773 8.4166 119.4328 57.4345 44.2662 172.9348 98 G 4.0796 8.7646 118.2040 44.7003 0.0000 173.8069 99 D 4.4399 8.8541 124.6356 54.6027 40.7856 175.8580 100 G 4.0083 7.0108 114.2006 45.9119 0.0000 173.2948 101 M 4.8771 7.8369 117.8781 55.5512 37.8411 178.0234 102 R 4.4096 7.6382 117.7693 54.6101 29.4303 178.1250 103 A 3.9463 8.7423 130.0744 52.7029 17.1845 173.7959 104 P 4.7289 0.0000 0.0000 61.6912 33.2770 176.7331 105 F 4.0504 9.8839 124.2111 57.4252 37.7681 177.1527 106 G 4.7367 8.4418 117.3540 46.7107 0.0000 173.0653 107 K 4.7597 7.6906 123.9420 54.3184 35.0603 176.0727 108 S 4.5775 8.6817 122.5452 57.9117 64.6077 172.0920 109 V 3.9599 9.3551 114.6710 61.9424 33.0189 170.4664 110 G 3.6233 8.5388 115.1436 46.3178 0.0000 171.9658 111 T 5.3297 7.6101 120.8222 61.3204 71.6281 174.6767 112 A 4.6154 7.9755 128.8528 51.1549 26.3000 178.0428 113 A 4.5258 8.4548 115.6743 53.4625 23.1182 175.1978 114 R 4.2052 8.8171 122.3499 56.3267 30.7592 177.5530 115 S 4.5203 8.3724 122.6941 56.7467 62.0029 170.2629 116 H 4.0130 9.0495 120.9753 57.3056 28.2672 176.9817 117 G 3.9267 8.7017 111.2872 46.2487 0.0000 173.0367 118 A 4.0888 7.4239 123.4403 52.9080 18.2329 177.4068 119 N 4.6367 8.2150 114.9508 51.3352 37.6235 173.0251 120 H 4.3644 8.3021 116.1116 56.6716 28.8547 176.1154 121 D 4.6820 7.8654 135.0000 53.7301 42.3542 178.9857 122 F 5.1050 8.9603 128.1139 57.1360 41.7889 173.2744 123 I 4.8908 8.8784 121.3567 59.8960 39.1541 176.7216 124 A 4.8397 9.4944 130.7773 49.3489 17.9344 173.5518 125 W 4.5770 8.1837 128.9995 54.8298 32.7671 174.9377 126 V 4.7521 7.0937 127.5222 61.2621 34.9533 173.1685 127 N 4.4005 8.8253 117.2433 53.1930 37.5594 177.0338 128 P 4.5035 0.0000 0.0000 62.7524 30.7914 175.5067 129 D 4.7254 7.7734 128.1925 51.7878 41.6441 174.2991 130 P 3.7817 0.0000 0.0000 65.3080 31.6308 177.9316 131 A 4.3264 7.8192 119.1397 54.3828 18.5323 178.1424 132 V 4.1920 7.3794 115.7179 62.9748 33.0794 177.3054 133 E 3.8412 8.1632 118.5875 59.4220 29.1759 178.7655 134 F 4.3128 6.7824 117.8534 58.4650 39.4200 177.0063 135 A 3.7989 9.3017 111.9920 56.3373 17.7331 180.9145 136 W 5.0965 5.8869 122.2602 59.0886 29.9551 177.3302 137 R 3.7645 9.0150 115.7206 58.7081 29.6437 177.9216 138 R 3.8379 9.6285 119.3627 59.4123 30.1299 179.0258 139 A 3.9135 10.6000 119.4749 55.8568 18.4642 177.9799 140 Y 3.6933 8.5897 115.6208 59.7886 38.1541 181.1310 141 M 3.2594 6.7708 119.7553 57.4185 34.7365 180.5133 142 K 4.3382 7.2534 116.4995 54.2547 33.0132 178.8203 143 V 3.2486 8.2385 112.1607 61.8261 29.6829 172.2914 144 T 4.1378 8.1571 126.0073 63.0707 70.0639 172.6292 145 P 4.4686 0.0000 0.0000 62.1805 31.1390 176.5022 146 T 3.4350 7.2853 114.6559 59.4384 68.0932 172.3606 147 V 3.7365 7.5756 119.0672 62.0048 32.0734 170.0439 148 N 4.8732 9.0548 122.6274 51.7631 41.3991 173.1228 149 I 3.7959 8.0018 127.3338 60.2692 38.1451 174.6530 150 D 4.6769 8.2615 125.0864 52.8098 43.1786 173.1624 151 S 5.8058 8.3930 113.5707 56.1380 66.6596 172.1805 152 S 4.8612 8.4017 114.5228 55.7907 66.2231 170.1137 153 P 4.2527 0.0000 0.0000 66.1190 30.5857 174.2438 154 A 4.3339 8.9871 128.5137 53.9407 17.6693 176.8588 155 G 4.1089 8.8340 102.0467 44.8590 0.0000 175.2973 156 N 4.8315 9.1597 116.4385 53.3296 41.5805 172.7650 157 A 3.9323 8.0409 124.9949 52.7156 18.3335 178.3033 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 9 S 8.32 4.33 0.00 3.90 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 10 I 6.71 3.06 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 1.42 0.60 0.92 0.00 0.00 11 K 8.08 4.64 0.00 1.75 1.79 0.00 2.03 0.00 0.00 1.81 0.00 0.00 3.33 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.54 1.42 7.81 12 P 0.00 4.62 0.00 2.23 2.10 0.00 3.88 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 2.01 2.27 0.00 *15 T 8.12 4.31 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 1.20 0.00 0.00 16 R 7.14 4.54 0.00 2.09 2.12 0.00 2.95 0.00 0.00 2.87 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.35 0.00 17 R 8.51 4.54 0.00 1.85 1.99 0.00 3.53 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 18 E 7.45 5.75 0.00 1.75 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 2.20 2.07 0.00 19 Y 8.33 4.51 0.00 2.89 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 20 I 7.65 4.26 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.66 0.97 0.00 0.00 21 S 7.55 4.81 0.00 3.97 3.89 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 22 G 8.15 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.01 3.50 1.87 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 1.47 0.47 0.91 0.00 0.00 24 P 0.00 4.83 0.00 2.23 2.07 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.95 0.00 25 G 8.38 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.36 3.72 0.00 1.84 1.75 0.00 1.36 0.00 0.00 0.63 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.05 1.28 7.81 27 G 7.85 3.81 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 0.00 0.00 0.00 28 I 7.57 4.24 1.91 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 1.78 0.30 0.94 0.00 0.00 29 A 8.33 4.63 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.69 2.98 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 31 F 8.08 4.36 0.00 2.99 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 32 K 8.10 4.34 0.00 1.92 1.94 0.00 1.51 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.56 7.81 33 M 8.46 4.33 0.00 2.00 1.81 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 34 G 8.47 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 0.00 0.00 0.00 35 N 8.40 5.10 0.00 2.66 2.67 0.00 0.00 6.82 7.79 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 36 N 7.97 3.91 0.00 2.77 2.11 0.00 0.00 7.13 7.65 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 *41 T 8.55 4.21 4.94 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 0.57 0.00 0.00 42 Y 9.11 4.58 0.00 3.03 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 43 P 0.00 4.40 0.00 2.11 2.04 0.00 3.77 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.99 0.00 44 A 6.10 3.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.29 3.96 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.64 0.00 0.00 0.00 0.00 0.00 2.64 2.38 0.00 46 V 7.61 4.46 3.05 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 0.81 0.00 0.00 0.72 0.00 0.00 47 E 8.45 5.26 0.00 2.25 2.27 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 2.35 2.52 0.00 48 N 9.05 6.08 0.00 2.90 2.74 0.00 0.00 6.32 7.81 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 49 V 8.31 4.63 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 0.89 0.00 0.00 0.89 0.00 0.00 50 V 7.45 4.56 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.87 0.00 0.00 51 E 8.48 4.82 0.00 1.95 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 2.17 2.18 0.00 52 K 8.24 4.60 0.00 1.71 1.76 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.40 7.81 53 P 0.00 5.13 0.00 2.07 2.04 0.00 3.40 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 1.91 1.78 0.00 54 V 8.30 4.07 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 0.70 0.00 0.00 0.94 0.00 0.00 55 Q 9.38 4.33 0.00 1.99 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.55 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 56 I 7.73 3.26 1.91 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 1.42 0.95 0.91 0.00 0.00 57 R 9.23 4.51 0.00 1.78 1.87 0.00 3.40 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 58 H 9.03 4.13 0.00 3.23 3.34 0.00 5.46 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 9.45 3.74 0.00 2.90 2.92 0.00 0.00 6.63 8.00 0.00 0.00 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 A 7.89 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 12.00 3.99 0.00 1.66 1.48 1.04 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 62 E 9.21 3.04 0.00 2.17 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 2.40 2.45 0.00 63 A 8.58 4.13 1.16 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 0.00 0.00 64 A 10.12 3.32 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 65 R 5.84 3.48 0.00 2.03 1.79 0.00 2.59 0.00 0.00 2.62 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.92 0.00 66 N 9.04 4.23 0.00 2.82 2.86 0.00 0.00 7.00 7.32 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 67 A 8.42 4.32 1.67 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 0.00 0.00 68 A 8.50 4.25 2.12 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 69 N 8.99 3.90 0.00 2.60 2.96 0.00 0.00 7.08 7.71 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 70 R 7.66 3.87 0.00 1.45 1.78 0.00 3.68 0.00 0.00 3.29 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.99 0.00 71 F 8.48 4.65 0.00 2.97 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 72 V 9.21 4.03 2.17 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 0.98 0.00 0.00 1.42 0.00 0.00 73 Q 8.21 5.38 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.66 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 74 N 7.90 4.43 0.00 2.80 2.69 0.00 0.00 5.70 7.64 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 75 S 9.04 4.70 0.00 3.87 3.86 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 0.00 0.00 0.00 0.00 76 G 8.27 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 0.00 0.00 0.00 0.00 *82 K 7.02 4.05 0.00 2.22 2.11 0.00 1.44 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.76 7.81 83 F 8.19 3.31 0.00 2.78 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 84 R 8.54 4.35 0.00 1.93 2.06 0.00 3.21 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 85 I 8.22 4.95 0.83 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 0.94 0.29 0.40 0.00 0.00 86 R 8.69 5.39 0.00 2.28 2.27 0.00 3.23 0.00 0.00 3.35 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.85 0.00 87 K 7.96 3.34 0.00 1.81 1.56 0.00 1.57 0.00 0.00 1.39 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.07 1.17 7.81 88 F 8.34 4.50 0.00 4.47 3.93 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 89 P 0.00 5.42 0.00 2.35 2.16 0.00 3.52 0.00 0.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 90 F 8.45 4.87 0.00 2.84 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 91 H 7.81 5.06 0.00 3.20 3.45 0.00 5.49 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.76 4.69 2.13 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 0.81 0.00 0.00 0.95 0.00 0.00 93 I 8.76 4.54 1.88 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 1.22 0.50 0.92 0.00 0.00 94 R 8.50 5.81 0.00 1.89 1.98 0.00 3.29 0.00 0.00 4.01 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.18 0.00 95 E 7.50 4.68 0.00 2.10 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 2.16 2.13 0.00 96 Q 9.15 3.97 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 97 D 8.42 4.38 0.00 2.62 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 98 G 8.76 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 99 D 8.85 4.44 0.00 2.75 2.70 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 0.00 0.00 0.00 0.00 100 G 7.01 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 101 M 7.84 4.88 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 102 R 7.64 4.41 0.00 1.86 1.34 0.00 3.31 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 103 A 8.74 3.95 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 0.00 104 P 0.00 4.73 0.00 2.21 2.12 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 105 F 9.88 4.05 0.00 3.02 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 0.00 106 G 8.44 4.74 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 0.00 0.00 0.00 107 K 7.69 4.76 0.00 1.92 1.65 0.00 1.89 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.36 7.81 108 S 8.68 4.58 0.00 3.92 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 0.00 109 V 9.36 3.96 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 0.64 0.00 0.00 0.99 0.00 0.00 110 G 8.54 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 0.00 0.00 0.00 111 T 7.61 5.33 4.21 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 1.31 0.00 0.00 112 A 7.98 4.62 1.08 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 0.00 113 A 8.45 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 114 R 8.82 4.21 0.00 1.88 1.89 0.00 3.28 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 115 S 8.37 4.52 0.00 3.98 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 H 9.05 4.01 0.00 3.18 3.42 0.00 5.54 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 0.00 117 G 8.70 3.93 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 0.00 0.00 0.00 118 A 7.42 4.09 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 0.00 119 N 8.22 4.64 0.00 3.09 3.27 0.00 0.00 5.94 7.90 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 0.00 120 H 8.30 4.36 0.00 3.15 3.40 0.00 5.89 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 7.87 4.68 0.00 2.67 1.54 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 0.00 122 F 8.96 5.10 0.00 3.45 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.88 4.89 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.79 1.34 0.00 0.00 124 A 9.49 4.84 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 125 W 8.18 4.58 0.00 3.29 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 0.00 126 V 7.09 4.75 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.04 0.00 0.00 127 N 8.83 4.40 0.00 2.72 2.09 0.00 0.00 6.93 8.02 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 0.00 128 P 0.00 4.50 0.00 2.15 2.06 0.00 3.72 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 129 D 7.77 4.73 0.00 2.60 2.45 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 0.00 130 P 0.00 3.78 0.00 1.83 2.13 0.00 3.75 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 2.18 2.08 0.00 131 A 7.82 4.33 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.38 4.19 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 0.88 0.00 0.00 1.05 0.00 0.00 133 E 8.16 3.84 0.00 2.08 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 0.00 2.11 1.47 0.00 134 F 6.78 4.31 0.00 3.13 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 0.00 135 A 9.30 3.80 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 W 5.89 5.10 0.00 3.32 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 0.00 137 R 9.01 3.76 0.00 2.05 2.57 0.00 3.60 0.00 0.00 3.21 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.99 0.00 138 R 9.63 3.84 0.00 1.66 1.71 0.00 3.29 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.13 0.00 139 A 10.60 3.91 1.08 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 0.00 140 Y 8.59 3.69 0.00 3.06 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 0.00 141 M 6.77 3.26 0.00 2.05 2.26 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.73 0.00 142 K 7.25 4.34 0.00 1.68 1.35 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.41 7.81 143 V 8.24 3.25 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 0.70 0.00 0.00 0.93 0.00 0.00 144 T 8.16 4.14 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 0.00 145 P 0.00 4.47 0.00 2.17 2.15 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 146 T 7.29 3.44 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 0.00 147 V 7.58 3.74 2.20 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 1.25 0.00 0.00 0.95 0.00 0.00 148 N 9.05 4.87 0.00 3.10 2.71 0.00 0.00 7.39 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 0.00 149 I 8.00 3.80 1.63 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.34 0.64 0.00 0.00 150 D 8.26 4.68 0.00 2.73 2.70 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 0.00 0.00 0.00 0.00 151 S 8.39 5.81 0.00 3.72 4.01 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 0.00 0.00 0.00 152 S 8.40 4.86 0.00 4.18 4.15 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 0.00 153 P 0.00 4.25 0.00 2.28 2.13 0.00 4.04 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 154 A 8.99 4.33 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 0.00 155 G 8.83 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 0.00 156 N 9.16 4.83 0.00 2.58 2.69 0.00 0.00 7.00 7.96 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 0.00 157 A 8.04 3.93 1.28 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.