NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4694 8.2649 123.5814 52.1183 19.9759 175.7356 2 E 4.6214 9.0578 118.1346 54.8265 33.4555 173.6552 3 C 5.4522 8.2694 119.5750 56.1232 42.6780 173.1650 4 S 4.3239 7.6943 110.8472 56.8687 65.7410 173.6276 5 V 4.4140 8.2116 120.3835 60.1946 34.9620 173.5604 6 D 5.1780 8.5198 122.3326 52.8572 42.6905 175.6447 7 I 4.7909 8.5466 122.4716 59.3303 41.9400 173.7469 8 Q 5.3574 9.5478 126.8719 54.0948 32.4514 174.6899 9 G 4.8613 9.1438 109.5967 44.4636 0.0000 172.2324 10 N 5.6304 8.3169 122.5608 50.3936 40.2088 175.4353 11 D 4.4563 8.8271 117.5462 57.0480 40.9462 177.3369 12 Q 4.3164 8.1942 116.9054 55.2984 28.9237 175.1052 13 M 3.0143 7.5952 115.8562 57.0244 31.1194 176.7642 14 Q 4.5757 7.8914 115.5183 53.9485 32.5139 175.6908 15 F 5.9305 8.8124 120.2159 56.5678 40.0360 175.2106 16 N 4.8614 8.9157 120.2418 53.2225 37.4707 174.4219 17 T 4.7831 7.6796 111.7844 61.3634 70.5474 172.5199 18 N 5.3605 8.8980 120.1277 52.4101 39.2998 173.4761 19 A 5.2140 8.3792 121.8316 51.4970 22.2354 175.9098 20 I 4.5887 9.2599 124.1157 60.0716 40.1739 175.0222 21 T 5.0316 8.5381 122.1699 61.7442 71.3443 173.5089 22 V 3.9810 8.4949 126.6815 60.8188 33.1882 175.1334 23 D 4.6896 8.9262 130.4774 54.8591 41.4830 178.3853 24 K 3.9890 8.7310 123.9725 57.5121 31.8046 177.8972 25 S 4.6654 7.8015 111.9008 58.0720 63.3327 174.9605 26 C 4.2593 7.7304 119.2146 57.4994 35.2374 173.7908 27 K 4.2142 8.7673 126.2729 58.7486 33.0582 176.0237 28 Q 5.0212 7.7812 115.0426 54.4997 32.4055 174.1653 29 F 4.7868 8.4934 120.6253 56.7249 43.2055 173.0537 30 T 4.7406 7.4362 121.8042 61.5537 71.6486 172.9514 31 V 4.0998 8.2635 126.4785 61.1425 33.7101 174.1872 32 N 4.9257 9.0406 126.6317 51.6141 39.6745 173.2325 33 L 5.0124 8.7157 127.4362 54.0952 43.9438 175.5477 34 S 5.1252 9.0278 119.3791 57.3768 67.5872 172.5743 35 H 5.9684 8.3862 119.1902 52.3831 29.9588 170.6084 36 P 4.5787 0.0000 0.0000 63.0262 32.9632 175.1657 37 G 4.1157 8.8292 105.8765 44.4550 0.0000 172.6222 38 N 4.9573 9.4819 113.8278 52.5932 41.0349 174.9439 39 L 4.1729 8.1637 119.6647 53.5524 42.3897 175.3303 40 P 4.6942 0.0000 0.0000 61.4615 32.6616 176.9106 41 K 3.8981 8.6001 119.3757 59.4538 31.9532 177.1974 42 N 4.6179 8.0973 113.7994 54.0467 38.0678 175.5994 43 V 4.1088 7.8009 117.6691 64.5604 33.1515 176.1754 44 M 4.8419 8.1456 117.7996 54.0820 32.2924 174.8209 45 G 3.9857 7.9383 106.1804 46.6072 0.0000 173.2746 46 H 5.4576 9.2847 120.2574 53.7502 32.5739 172.4984 47 N 5.5817 8.8612 117.6481 50.8852 41.5899 172.2494 48 W 5.2744 9.2359 127.9488 55.6936 33.9064 174.1899 49 V 4.5230 7.7434 125.7644 60.8191 34.9027 173.4221 50 L 4.7556 8.3253 129.3330 53.1351 44.9898 175.3192 51 S 4.9611 8.6377 119.5911 57.1554 67.3279 173.4879 52 T 4.3431 8.6558 109.2184 61.3122 69.3269 174.9286 53 A 3.9462 8.7806 124.9599 55.7386 18.0651 180.1220 54 A 3.9030 7.9147 117.0059 55.1010 18.7205 178.7236 55 D 4.5102 7.8866 115.8104 55.8021 41.1557 178.2761 56 M 3.6755 7.5805 119.8883 58.6664 32.0961 177.8480 57 Q 3.8774 7.9138 118.9220 59.1706 29.3335 178.3255 58 G 3.5544 7.9166 106.2408 47.7393 0.0000 175.6489 59 V 3.6410 7.9547 120.8415 65.6413 31.4821 178.3598 60 V 3.5500 7.7124 117.9512 66.2440 31.2797 178.2254 61 T 3.8245 7.9178 115.3912 66.8868 68.1309 176.6028 62 D 4.5044 8.0682 119.5309 57.1011 41.0612 178.9487 63 G 4.0687 8.1106 107.6505 47.6541 0.0000 175.6422 64 M 4.3255 8.3322 121.6832 58.2206 31.7902 178.8346 65 A 4.1263 7.7329 119.1693 54.9166 18.6122 179.4203 66 S 4.2560 8.0993 113.6561 58.9803 63.0975 175.5835 67 G 3.7985 7.5440 106.4616 44.8296 0.0000 174.1435 68 L 2.7290 7.8389 120.5097 57.8095 41.9173 178.9809 69 D 4.4643 7.8394 115.2926 56.1215 40.8866 176.9071 70 K 4.2851 7.8227 118.4121 55.7598 32.1708 176.5507 71 D 4.5369 8.5292 117.8556 54.4528 40.3071 173.4198 72 Y 3.7476 7.4717 112.2657 58.5604 35.6105 170.1762 73 L 4.9613 7.5640 116.8386 52.3369 45.8995 176.9064 74 K 4.0946 8.5317 123.1449 55.1683 32.5348 174.4077 75 P 4.3644 0.0000 0.0000 64.1713 31.6615 175.6754 76 D 4.3803 8.8862 120.8708 55.1026 38.4500 173.1850 77 D 4.3741 7.8099 119.6144 54.4226 40.9750 177.1473 78 S 4.3519 8.6267 121.8927 60.3917 63.3159 175.3247 79 R 4.0643 8.1453 119.5062 57.4935 30.2066 176.5489 80 V 4.0684 7.5039 118.5066 61.9590 31.3003 175.5446 81 I 4.0098 8.6625 130.0021 64.2209 37.6280 176.7151 82 A 4.7680 7.5824 120.6052 51.3587 22.2374 175.0258 83 H 5.5644 8.5674 115.2415 54.7258 31.6399 173.2772 84 T 4.6282 8.8759 112.0144 60.4198 70.7554 174.0208 85 K 4.7327 8.7482 121.5516 55.5568 33.8940 176.5067 86 L 4.7091 8.2684 123.4548 55.0396 42.7558 176.0726 87 I 4.8421 9.1441 119.2308 59.3731 41.2501 175.4465 88 G 4.5490 9.4556 112.7999 44.5616 0.0000 172.9184 89 S 4.2674 8.0391 114.8133 59.4388 63.2380 175.1665 90 G 3.9074 8.7693 111.1118 45.6862 0.0000 173.3017 91 E 4.5393 7.5818 119.6740 55.3131 31.2748 174.4624 92 K 5.0177 7.9936 117.2883 56.7932 35.2665 174.3594 93 D 4.7292 8.9336 119.0743 53.5108 44.9744 174.1283 94 S 5.3941 8.6623 119.5990 56.6495 66.2640 173.7628 95 V 4.5376 8.3877 121.3286 60.3068 34.4406 174.4179 96 T 5.1683 8.6273 120.0726 61.7912 71.1401 173.4968 97 F 5.1087 8.5762 119.2174 54.9466 42.2505 173.7778 98 D 4.7065 8.8729 120.8338 54.3556 41.1365 177.7864 99 V 3.8653 8.3923 124.8586 65.1674 31.6976 177.6947 100 S 4.3680 7.9822 112.7462 60.3518 63.1357 175.1238 101 K 4.1566 7.9998 119.9318 57.7173 32.0325 176.5654 102 L 4.4706 7.7126 120.0090 53.1692 43.0950 177.7201 103 K 4.4772 9.3065 128.8445 55.7664 31.0507 175.8841 *104 E 4.3340 7.8034 116.0746 55.2221 32.2030 177.6688 105 G 4.1331 8.3307 103.3837 47.3399 0.0000 174.0214 106 E 3.9561 7.7775 120.7963 55.9134 30.2620 175.1996 107 Q 4.5202 8.3882 125.0452 55.7129 29.5047 175.4315 108 Y 4.4247 9.3077 123.2585 57.2704 40.7872 174.1990 109 M 5.2929 8.9704 119.5694 53.6958 35.1332 175.4570 110 F 4.9288 8.5852 118.6553 55.3568 40.9915 174.5241 111 F 5.4065 7.5353 113.7285 56.3417 41.8282 172.1634 112 C 5.4014 9.5452 121.3301 58.0556 31.8811 174.5938 113 S 4.3206 10.0167 122.5534 60.9804 63.0232 174.8171 114 P 3.8296 0.0000 0.0000 64.7244 31.0803 176.4741 115 H 4.7906 7.4526 110.3454 55.0624 29.5270 175.6748 116 Q 4.1406 8.2645 123.2721 59.3290 28.7389 179.4106 117 G 3.4735 8.0536 103.9848 47.6962 0.0000 173.6060 118 A 4.3751 7.6254 121.3268 51.8474 19.0887 177.4538 119 G 4.1141 8.1021 104.6217 45.8410 0.0000 175.4255 120 M 4.5353 7.8024 121.3835 52.9690 30.7395 174.9556 121 K 4.7199 7.7495 119.2155 56.3620 35.7937 174.6394 122 G 3.5820 7.3364 107.5638 46.1594 0.0000 172.2721 123 T 5.0770 8.1770 109.9698 60.4768 71.4099 173.8046 124 L 5.3977 8.9208 124.4576 53.9018 45.6449 175.2313 125 T 5.2826 8.7433 121.8994 60.4603 72.6799 172.7773 126 L 4.5559 8.8461 131.0847 55.2321 43.3586 177.2636 127 K 4.3219 9.0179 129.7408 55.4015 31.4050 173.0543 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 A 8.26 4.47 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 2 E 9.06 4.62 0.00 2.16 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 2.23 2.22 0.00 3 C 8.27 5.45 0.00 2.72 3.19 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 4 S 7.69 4.32 0.00 3.44 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 5 V 8.21 4.41 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 0.66 0.00 0.00 0.87 0.00 0.00 6 D 8.52 5.18 0.00 2.50 2.55 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 7 I 8.55 4.79 1.59 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.59 0.59 0.00 0.00 8 Q 9.55 5.36 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 9 G 9.14 4.86 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 10 N 8.32 5.63 0.00 2.87 3.01 0.00 0.00 6.75 8.07 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 11 D 8.83 4.46 0.00 2.72 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 Q 8.19 4.32 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 13 M 7.60 3.01 0.00 1.98 1.98 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 2.12 2.34 0.00 14 Q 7.89 4.58 0.00 2.33 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.76 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 15 F 8.81 5.93 0.00 3.24 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 16 N 8.92 4.86 0.00 2.89 2.99 0.00 0.00 5.79 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 17 T 7.68 4.78 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 1.21 0.00 0.00 18 N 8.90 5.36 0.00 2.89 3.08 0.00 0.00 5.61 7.08 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 19 A 8.38 5.21 1.29 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 20 I 9.26 4.59 1.96 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.61 0.94 0.00 0.00 21 T 8.54 5.03 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 1.22 0.00 0.00 22 V 8.49 3.98 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 0.58 0.00 0.00 0.17 0.00 0.00 23 D 8.93 4.69 0.00 2.89 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 24 K 8.73 3.99 0.00 1.77 1.73 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.04 7.81 25 S 7.80 4.67 0.00 3.85 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 26 C 7.73 4.26 0.00 3.02 3.27 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 27 K 8.77 4.21 0.00 1.83 1.77 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.43 7.81 28 Q 7.78 5.02 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.47 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 29 F 8.49 4.79 0.00 2.64 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 30 T 7.44 4.74 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 1.08 0.00 0.00 31 V 8.26 4.10 1.12 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 -0.25 0.00 0.00 -0.18 0.00 0.00 32 N 9.04 4.93 0.00 2.64 2.64 0.00 0.00 6.17 6.90 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 33 L 8.72 5.01 0.00 1.72 1.70 1.21 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 34 S 9.03 5.13 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 35 H 8.39 5.97 0.00 3.24 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.58 0.00 2.16 2.00 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.14 0.00 37 G 8.83 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 38 N 9.48 4.96 0.00 2.64 2.81 0.00 0.00 6.98 8.42 0.00 0.00 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 L 8.16 4.17 0.00 1.89 1.59 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.69 0.00 2.22 2.19 0.00 3.71 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 2.22 1.95 0.00 41 K 8.60 3.90 0.00 1.76 1.92 0.00 1.92 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.50 7.81 42 N 8.10 4.62 0.00 2.90 2.95 0.00 0.00 5.84 7.68 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 43 V 7.80 4.11 2.10 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 0.82 0.00 0.00 0.95 0.00 0.00 44 M 8.15 4.84 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 45 G 7.94 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 0.00 0.00 0.00 46 H 9.28 5.46 0.00 3.15 3.21 0.00 5.56 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.86 5.58 0.00 2.97 3.17 0.00 0.00 5.54 8.88 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 48 W 9.24 5.27 0.00 3.43 3.02 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 0.00 0.00 0.00 49 V 7.74 4.52 1.14 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 0.65 0.00 0.00 1.00 0.00 0.00 50 L 8.33 4.76 0.00 0.92 1.02 0.84 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.64 4.96 0.00 4.10 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 52 T 8.66 4.34 4.19 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 1.28 0.00 0.00 53 A 8.78 3.95 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 54 A 7.91 3.90 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 55 D 7.89 4.51 0.00 2.87 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 56 M 7.58 3.68 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 2.01 0.00 57 Q 7.91 3.88 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 58 G 7.92 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 0.00 0.00 0.00 59 V 7.95 3.64 2.18 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 1.20 0.00 0.00 1.03 0.00 0.00 60 V 7.71 3.55 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 0.98 0.00 0.00 0.46 0.00 0.00 61 T 7.92 3.82 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 1.19 0.00 0.00 62 D 8.07 4.50 0.00 2.74 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 63 G 8.11 4.07 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 0.00 0.00 0.00 64 M 8.33 4.33 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.41 0.00 65 A 7.73 4.13 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 66 S 8.10 4.26 0.00 4.09 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 67 G 7.54 3.80 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 0.00 0.00 0.00 68 L 7.84 2.73 0.00 1.39 1.48 1.03 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 69 D 7.84 4.46 0.00 2.63 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.82 4.29 0.00 1.90 1.88 0.00 1.75 0.00 0.00 1.54 0.00 0.00 2.83 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.49 7.81 71 D 8.53 4.54 0.00 2.91 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 72 Y 7.47 3.75 0.00 3.22 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 73 L 7.56 4.96 0.00 1.50 1.49 0.83 0.85 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 74 K 8.53 4.09 0.00 1.80 1.88 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.44 7.81 75 P 0.00 4.36 0.00 2.08 1.98 0.00 3.87 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 76 D 8.89 4.38 0.00 2.84 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 77 D 7.81 4.37 0.00 2.91 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 78 S 8.63 4.35 0.00 4.03 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 79 R 8.15 4.06 0.00 1.99 2.06 0.00 3.17 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.58 0.00 80 V 7.50 4.07 2.24 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 0.81 0.00 0.00 0.96 0.00 0.00 81 I 8.66 4.01 1.69 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.60 0.58 0.00 0.00 82 A 7.58 4.77 1.17 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 0.00 0.00 83 H 8.57 5.56 0.00 3.16 3.25 0.00 5.72 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.88 4.63 4.49 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 0.00 0.00 0.00 1.35 0.00 0.00 85 K 8.75 4.73 0.00 1.86 1.93 0.00 1.64 0.00 0.00 1.52 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.67 1.29 7.81 86 L 8.27 4.71 0.00 1.99 1.68 1.19 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 87 I 9.14 4.84 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.80 1.04 0.00 0.00 88 G 9.46 4.55 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 0.00 0.00 0.00 89 S 8.04 4.27 0.00 4.07 3.80 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 90 G 8.77 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 91 E 7.58 4.54 0.00 2.20 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 2.28 2.39 0.00 92 K 7.99 5.02 0.00 1.83 1.75 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.43 7.81 93 D 8.93 4.73 0.00 2.84 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 94 S 8.66 5.39 0.00 3.69 3.61 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 95 V 8.39 4.54 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 0.88 0.00 0.00 1.07 0.00 0.00 96 T 8.63 5.17 4.20 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 1.12 0.00 0.00 97 F 8.58 5.11 0.00 3.02 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 98 D 8.87 4.71 0.00 2.82 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 99 V 8.39 3.87 2.33 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 1.01 0.00 0.00 0.80 0.00 0.00 100 S 7.98 4.37 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.00 4.16 0.00 1.96 1.88 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.47 7.81 102 L 7.71 4.47 0.00 1.75 1.58 0.98 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 103 K 9.31 4.48 0.00 1.79 1.82 0.00 1.81 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.47 7.81 *104 E 7.80 4.33 0.00 1.99 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 2.21 1.87 0.00 105 G 8.33 4.13 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 0.00 0.00 0.00 106 E 7.78 3.96 0.00 1.91 1.71 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 1.67 2.04 0.00 107 Q 8.39 4.52 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 108 Y 9.31 4.42 0.00 2.99 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 0.00 109 M 8.97 5.29 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 110 F 8.59 4.93 0.00 1.90 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 0.00 111 F 7.54 5.41 0.00 3.15 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 0.00 112 C 9.55 5.40 0.00 3.14 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 0.00 113 S 10.02 4.32 0.00 4.13 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 0.00 114 P 0.00 3.83 0.00 1.50 1.02 0.00 3.89 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 1.79 1.84 0.00 115 H 7.45 4.79 0.00 3.18 3.23 0.00 5.66 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 0.00 116 Q 8.26 4.14 0.00 2.32 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.04 0.00 117 G 8.05 3.47 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 0.00 118 A 7.63 4.38 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 0.00 119 G 8.10 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 0.00 120 M 7.80 4.54 0.00 1.33 1.99 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.16 0.00 121 K 7.75 4.72 0.00 1.72 1.77 0.00 1.53 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.31 7.81 122 G 7.34 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 0.00 0.00 0.00 123 T 8.18 5.08 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 1.21 0.00 0.00 124 L 8.92 5.40 0.00 2.05 1.73 1.21 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 125 T 8.74 5.28 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 1.30 0.00 0.00 126 L 8.85 4.56 0.00 1.79 1.61 0.95 0.56 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 0.00 127 K 9.02 4.32 0.00 1.53 1.55 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.35 1.26 7.81 * Residues marked with a * may have inaccurate shift predictions.