NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 T 4.3040 8.1749 115.2515 62.1152 68.4967 173.0834 -4 E 4.7447 8.2807 122.0220 53.7141 31.6283 174.3296 -3 F 4.3282 9.3597 129.3804 57.5087 41.1435 171.3570 -2 K 3.6277 7.8632 127.0184 54.0739 33.1701 174.3042 -1 A 3.5812 7.9871 125.0284 53.8630 18.5716 179.3071 -4 G 4.3547 8.1907 110.6220 42.2141 0.0000 172.6295 -3 S 4.1782 9.3697 124.7804 58.1087 65.3435 170.1570 -2 A 3.6277 7.8132 130.4184 50.3739 19.1701 175.5042 -1 K 3.5812 8.0371 121.6284 57.5630 32.5716 178.1071 5 K 4.0239 9.4011 120.5673 59.5813 32.7798 176.5666 6 G 4.0631 8.2244 104.8521 48.1014 0.0000 174.8728 7 A 3.2286 7.8894 122.3856 55.0854 18.3800 179.3568 8 T 3.7011 7.7114 110.0857 65.1898 67.5770 175.7372 9 L 3.9464 8.1740 122.4944 57.2309 41.6301 179.1392 10 F 3.7110 8.3172 120.1340 61.5222 39.0500 177.5493 11 K 4.0510 8.1463 116.6710 58.6901 32.2319 178.2946 12 T 4.4569 8.1358 108.3660 61.9787 69.2513 174.6163 13 R 4.5210 7.7142 117.5628 57.8346 33.4856 176.7564 14 C 3.5347 6.9213 113.9271 62.1310 27.7855 176.0050 15 L 4.4427 6.7949 120.9093 57.0998 41.8272 179.0391 16 Q 4.2279 7.9528 116.5075 58.6058 28.8662 176.8216 17 C 4.5707 8.3486 114.3591 60.0487 31.3257 173.3508 18 H 5.3371 7.0024 116.1507 54.8668 32.2066 172.7902 19 T 5.2509 8.2883 107.3303 61.3628 72.0182 173.8014 20 V 4.6265 8.2506 119.9340 61.3515 32.0519 175.1909 21 E 4.6890 8.5795 117.9368 55.2402 31.6121 176.3154 22 K 3.5667 8.2926 120.2989 59.5312 32.4287 178.9691 23 G 3.9606 7.6428 107.3431 45.7649 0.0000 174.0098 24 G 3.7878 7.5702 108.5737 43.9635 0.0000 173.9058 25 P 4.5875 0.0000 0.0000 62.5387 33.0392 176.8684 26 H 5.2603 8.1112 116.5063 56.2470 31.0589 177.0438 27 K 3.9495 7.3779 112.3672 55.9902 33.2512 176.5251 28 V 3.9422 8.7219 121.7919 65.1572 33.3149 175.2990 29 G 3.9269 7.6583 107.2827 43.2703 0.0000 170.7292 30 P 3.9663 0.0000 0.0000 61.6487 32.1796 175.6632 31 N 4.5027 7.9604 120.9123 54.0702 39.5859 174.7157 32 L 4.5294 8.7443 125.7392 54.5004 42.2949 175.4265 33 H 4.2461 8.3332 119.4713 57.3746 28.9143 174.3753 34 G 3.8361 8.4577 116.8721 46.2078 0.0000 173.5206 35 I 3.6096 8.0333 122.4698 63.6043 37.9595 174.0032 36 F 4.9380 7.5695 119.5746 60.4961 38.2638 173.0437 37 G 3.4589 8.4164 119.3726 45.4011 0.0000 172.3930 38 R 4.3618 8.0314 120.3363 55.1446 32.1864 174.5798 39 H 4.9115 8.1985 115.3471 54.0223 31.4435 175.8251 40 S 4.4297 7.9344 116.0253 57.3864 60.8185 170.4166 41 G 2.0112 7.1487 115.7307 45.2233 0.0000 169.3340 42 Q 4.3060 6.8411 119.0025 55.5972 33.3105 180.0894 43 A 3.9673 7.9860 121.9101 52.4551 19.9977 177.8651 44 E 4.8128 8.7998 117.5474 58.4766 31.8374 175.4601 45 G 4.2412 8.2138 106.9587 47.7096 0.0000 173.4919 46 Y 3.9355 8.3489 122.0432 59.7758 38.4965 178.8314 47 S 4.1138 8.3733 109.9471 57.5224 62.3387 170.3813 48 Y 3.8134 6.6804 116.8941 58.0743 37.4147 169.4246 49 T 4.5576 8.2156 109.2900 61.0034 71.9008 174.7273 50 D 4.3392 8.7333 121.4828 57.9090 41.0992 178.2507 51 A 3.9757 8.1333 120.4343 55.3688 18.1316 178.6892 52 N 4.2916 7.8961 113.8557 57.3485 39.3723 176.6130 53 I 3.9068 7.9195 122.0672 64.1247 36.9852 178.1840 54 K 3.8606 8.7309 121.5573 59.1605 32.1693 178.5148 55 K 3.8648 8.3594 120.2895 58.0157 32.6500 176.5317 56 N 3.9469 7.9652 114.7220 53.3580 36.9511 174.2317 57 V 3.7533 7.6537 118.3125 63.0037 33.1370 175.3377 58 L 3.8414 8.0367 129.4165 54.5994 43.4434 176.3355 59 W 4.7908 8.0710 125.2483 55.4984 29.8986 175.1729 60 D 5.4425 8.3429 123.9251 51.4952 44.1671 176.9281 61 E 3.8717 9.0045 120.5567 60.3712 29.3539 179.0958 62 N 4.4957 7.9533 116.2421 55.5515 38.7821 176.5168 63 N 4.2400 8.0065 117.4070 57.2857 39.3029 176.4359 64 M 4.2565 8.4228 119.7742 59.4859 32.1652 177.4809 65 S 4.1604 8.1499 112.5969 61.7374 62.4367 175.7513 66 E 4.0804 8.2117 121.3496 58.9672 29.3824 178.5110 67 Y 3.9938 7.7539 119.1623 61.1314 38.7524 178.6119 68 L 3.8541 8.6552 120.0319 57.6395 41.1774 179.3108 69 T 3.9536 8.3356 110.3665 64.1950 69.3332 172.9425 70 N 4.7830 7.8608 117.2927 52.3459 40.9748 172.7151 71 P 4.8148 0.0000 0.0000 61.8968 31.6634 179.6401 *73 K 4.2244 8.2171 119.2746 57.8026 33.9669 176.7517 74 Y 4.0811 8.2435 118.2087 60.1747 38.9000 176.5809 75 I 4.5222 8.4122 123.8014 58.5073 36.8693 171.9312 76 P 4.9560 0.0000 0.0000 62.3909 29.2092 175.7048 77 G 3.5906 8.6416 120.7317 46.0770 0.0000 171.4706 78 T 4.1293 7.6279 116.0434 62.6816 67.7456 173.2597 79 K 4.6384 8.4716 124.0437 56.5859 32.5451 177.2250 80 M 4.3313 7.8232 121.3047 56.2020 30.1537 176.7926 81 A 4.3922 8.0218 131.9485 51.9529 18.8152 177.5040 82 F 5.0998 7.8947 122.4515 56.8354 41.7989 175.1841 83 G 3.3760 8.6099 116.5770 48.3926 0.0000 174.4099 84 G 3.4365 4.0000 102.9156 44.6323 0.0000 172.5429 85 L 4.8148 8.0439 116.4924 53.7600 42.6304 179.1984 86 K 4.5241 7.7538 117.5048 56.9808 32.3870 176.7404 87 K 4.5978 6.6389 124.0530 56.8245 33.0028 175.9239 88 E 4.7928 8.8559 129.8961 56.8512 35.4747 177.0247 89 K 4.2085 7.7057 118.7356 58.8199 32.6402 177.6774 90 D 4.4654 8.1189 118.8733 57.5929 40.7191 179.0107 91 R 4.0283 8.1606 115.5865 59.7685 29.1572 178.2601 92 N 4.5235 8.2267 117.2468 55.7540 38.6192 176.6290 93 D 4.4875 8.4866 120.7362 57.6009 40.9459 179.1122 94 L 4.1792 8.3610 120.4636 58.3943 42.2457 178.6991 95 I 3.9098 8.3414 120.4224 64.8879 37.0711 178.5078 96 T 3.8790 8.5585 110.7042 64.8941 68.6621 175.5336 97 Y 4.0388 8.3421 123.1964 60.4416 38.6444 178.2169 98 L 3.0170 8.0174 119.7154 57.5677 41.5614 179.4116 99 K 3.4035 7.4610 119.1970 59.1863 31.6934 178.7193 100 K 3.8403 7.7925 119.0695 59.3335 32.2704 178.3048 101 A 4.2203 7.5859 120.1590 53.8937 18.6087 177.9138 102 S 4.1732 7.9955 111.1652 57.3104 64.0389 174.8369 103 E 4.1666 8.6933 125.9890 56.0350 29.1497 176.8296 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 -5 T 8.17 4.30 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 1.29 0.00 0.00 -4 E 8.28 4.74 0.00 2.04 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 2.24 2.27 0.00 -3 F 9.36 4.33 0.00 2.99 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 0.00 0.00 0.00 0.00 -2 K 7.86 3.63 0.00 1.75 1.53 0.00 1.76 0.00 0.00 0.61 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.20 1.46 7.81 -1 A 7.99 3.58 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 -4 G 8.19 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 S 9.37 4.18 0.00 3.74 3.88 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 -2 A 7.81 3.63 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 -1 K 8.04 3.58 0.00 1.59 1.41 0.00 0.61 0.00 0.00 1.82 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.35 7.81 5 K 9.40 4.02 0.00 1.85 2.13 0.00 1.77 0.00 0.00 1.83 0.00 0.00 3.18 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.54 7.81 6 G 8.22 4.06 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 0.00 7 A 7.89 3.23 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 8 T 7.71 3.70 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 1.22 0.00 0.00 9 L 8.17 3.95 0.00 1.76 1.72 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.32 3.71 0.00 2.36 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 11 K 8.15 4.05 0.00 1.88 1.88 0.00 1.78 0.00 0.00 1.82 0.00 0.00 3.20 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.72 7.81 12 T 8.14 4.46 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 1.24 0.00 0.00 13 R 7.71 4.52 0.00 1.67 1.89 0.00 3.63 0.00 0.00 3.44 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 14 C 6.92 3.53 0.00 1.23 1.95 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 15 L 6.79 4.44 0.00 1.81 1.79 1.18 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.95 4.23 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.64 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 17 C 8.35 4.57 0.00 2.55 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 7.00 5.34 0.00 3.08 3.28 0.00 5.66 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 19 T 8.29 5.25 4.42 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 0.00 0.00 0.00 1.37 0.00 0.00 20 V 8.25 4.63 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 0.60 0.00 0.00 0.81 0.00 0.00 21 E 8.58 4.69 0.00 2.09 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 0.00 2.38 2.31 0.00 22 K 8.29 3.57 0.00 1.66 1.71 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.13 1.34 7.81 23 G 7.64 3.96 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 0.00 0.00 0.00 24 G 7.57 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.59 0.00 2.24 2.24 0.00 3.73 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 2.08 1.99 0.00 26 H 8.11 5.26 0.00 3.19 3.36 0.00 5.77 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.38 3.95 0.00 1.94 1.72 0.00 1.61 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.54 7.81 28 V 8.72 3.94 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 0.73 0.00 0.00 0.93 0.00 0.00 29 G 7.66 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 30 P 0.00 3.97 0.00 1.66 0.67 0.00 3.43 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.18 0.00 31 N 7.96 4.50 0.00 2.90 2.84 0.00 0.00 7.44 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 32 L 8.74 4.53 0.00 1.68 1.46 0.77 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.33 4.25 0.00 3.22 3.30 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.46 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 35 I 8.03 3.61 1.78 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.48 0.38 0.00 0.00 36 F 7.57 4.94 0.00 3.06 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 37 G 8.42 3.46 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 38 R 8.03 4.36 0.00 1.96 2.03 0.00 3.38 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 39 H 8.20 4.91 0.00 2.98 3.03 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 40 S 7.93 4.43 0.00 4.20 3.56 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 41 G 7.15 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 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 6.84 4.31 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.03 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 43 A 7.99 3.97 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 44 E 8.80 4.81 0.00 2.07 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 0.00 2.23 2.42 0.00 45 G 8.21 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 0.00 0.00 0.00 0.00 46 Y 8.35 3.94 0.00 2.52 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 0.00 0.00 0.00 0.00 47 S 8.37 4.11 0.00 4.03 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 48 Y 6.68 3.81 0.00 3.27 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 49 T 8.22 4.56 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 1.34 0.00 0.00 50 D 8.73 4.34 0.00 2.83 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 51 A 8.13 3.98 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 52 N 7.90 4.29 0.00 2.90 3.02 0.00 0.00 7.09 7.59 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 53 I 7.92 3.91 2.10 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.64 0.90 0.00 0.00 54 K 8.73 3.86 0.00 1.81 1.85 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.48 7.81 55 K 8.36 3.86 0.00 2.05 1.84 0.00 2.10 0.00 0.00 1.88 0.00 0.00 3.19 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.55 1.53 7.81 56 N 7.97 3.95 0.00 2.74 2.77 0.00 0.00 7.12 8.48 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 57 V 7.65 3.75 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 0.39 0.00 0.00 0.93 0.00 0.00 58 L 8.04 3.84 0.00 1.45 1.32 0.66 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.07 4.79 0.00 3.07 2.42 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 0.00 0.00 0.00 0.00 60 D 8.34 5.44 0.00 2.65 2.52 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 0.00 0.00 0.00 0.00 61 E 9.00 3.87 0.00 1.16 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 0.00 1.86 2.09 0.00 62 N 7.95 4.50 0.00 2.81 2.83 0.00 0.00 6.86 7.03 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 63 N 8.01 4.24 0.00 2.79 2.77 0.00 0.00 6.47 6.95 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 64 M 8.42 4.26 0.00 2.39 2.04 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.74 0.00 65 S 8.15 4.16 0.00 4.26 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 66 E 8.21 4.08 0.00 2.16 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 2.54 2.39 0.00 67 Y 7.75 3.99 0.00 2.77 3.34 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 68 L 8.66 3.85 0.00 1.89 1.84 1.06 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.34 3.95 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 1.35 0.00 0.00 70 N 7.86 4.78 0.00 2.71 2.72 0.00 0.00 6.97 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 71 P 0.00 4.81 0.00 2.04 1.06 0.00 3.81 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 2.02 1.86 0.00 *73 K 8.22 4.22 0.00 2.06 1.99 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.60 7.81 74 Y 8.24 4.08 0.00 3.26 3.34 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 75 I 8.41 4.52 2.18 0.00 0.00 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 1.76 1.21 1.11 0.00 0.00 76 P 0.00 4.96 0.00 2.20 2.13 0.00 3.83 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 2.01 1.97 0.00 77 G 8.64 3.59 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 0.00 78 T 7.63 4.13 4.48 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 1.47 0.00 0.00 79 K 8.47 4.64 0.00 1.87 1.86 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.56 7.81 80 M 7.82 4.33 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.84 0.00 81 A 8.02 4.39 1.30 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 0.00 0.00 0.00 82 F 7.89 5.10 0.00 2.84 2.83 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 83 G 8.61 3.38 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 0.00 84 G 4.00 3.44 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 0.00 85 L 8.04 4.81 0.00 1.64 1.67 1.08 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 86 K 7.75 4.52 0.00 1.85 1.83 0.00 1.45 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.42 7.81 87 K 6.64 4.60 0.00 1.73 0.90 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.65 1.47 7.81 88 E 8.86 4.79 0.00 1.91 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 2.13 2.20 0.00 89 K 7.71 4.21 0.00 1.82 1.79 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.51 7.81 90 D 8.12 4.47 0.00 2.84 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 91 R 8.16 4.03 0.00 2.19 2.45 0.00 3.24 0.00 0.00 3.48 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.88 0.00 92 N 8.23 4.52 0.00 2.95 3.07 0.00 0.00 6.91 8.35 0.00 0.00 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 D 8.49 4.49 0.00 3.05 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 94 L 8.36 4.18 0.00 1.88 1.95 1.11 1.54 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 95 I 8.34 3.91 2.27 0.00 0.00 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 1.87 0.80 0.85 0.00 0.00 96 T 8.56 3.88 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 1.41 0.00 0.00 97 Y 8.34 4.04 0.00 3.13 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.02 3.02 0.00 1.81 1.73 1.24 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.46 3.40 0.00 1.64 1.65 0.00 0.71 0.00 0.00 0.61 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.19 1.24 7.81 100 K 7.79 3.84 0.00 1.77 1.71 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.43 7.81 101 A 7.59 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.00 4.17 0.00 3.84 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 0.00 103 E 8.69 4.17 0.00 1.94 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 2.17 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.