NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 K 4.3700 8.2993 120.1354 56.5677 33.5309 174.7466 14 M 4.6943 8.1591 117.9915 52.8059 34.2165 173.6130 15 S 4.4440 8.4424 117.0855 58.8345 64.7423 176.1660 16 S 4.7411 8.4441 115.1292 59.2924 63.3037 175.7927 17 E 4.1265 8.1092 125.0342 58.8575 29.4438 178.0721 18 L 4.0321 7.9993 120.0798 57.8638 42.1649 178.5150 19 F 4.5040 8.3420 120.4937 61.7468 39.2815 177.0542 20 T 3.7933 8.3776 109.8217 64.8841 68.4964 176.3741 21 L 4.2050 8.3494 121.9288 57.6729 41.5933 179.6421 22 T 3.9460 8.3153 115.9522 66.8277 67.9284 175.9625 23 Y 4.2247 8.6593 122.0528 60.7463 38.6465 178.3861 24 G 4.0086 8.5175 106.4091 47.3173 0.0000 175.4617 25 A 3.9846 8.0518 123.0973 54.6035 18.3214 179.5089 26 L 3.7835 7.8009 118.8956 58.2778 42.1368 179.3210 27 V 3.2888 7.2885 118.0856 66.1949 31.3516 177.9349 28 T 3.8405 7.9932 115.5718 66.7748 68.3127 176.3186 29 Q 3.9486 8.1964 121.3279 59.2335 29.1367 178.2524 30 L 4.1672 8.1069 120.0847 58.0433 41.6253 179.3261 31 C 4.2371 8.3834 116.9865 62.5337 27.7766 176.0580 32 K 3.9712 7.8287 120.7002 59.5946 31.8923 178.4242 33 D 4.3146 8.0511 118.0612 56.3231 40.7515 176.7742 34 Y 4.4976 7.6441 115.0101 57.3150 40.4320 175.5229 35 E 3.8547 8.1829 117.3188 56.3013 27.9866 175.2594 36 N 4.5335 7.6580 112.6488 51.9073 42.5019 173.1229 37 D 4.3142 8.6513 128.5690 57.4904 41.0644 178.5140 38 E 3.9623 8.1738 118.6794 59.3860 29.4866 178.9540 39 D 4.1364 8.2418 118.9700 57.1563 40.7668 178.9086 40 V 3.3924 7.5754 118.6735 65.9764 31.5067 177.5874 41 N 4.2436 8.2466 116.3872 56.4450 38.3669 177.4831 42 K 3.9067 7.9421 119.4881 59.6278 32.0826 179.5401 43 Q 3.9003 7.9710 118.2700 58.7777 28.5215 178.6530 44 L 4.0056 8.1720 120.4718 57.8619 41.6008 179.1336 45 D 4.3716 8.1427 117.9964 57.1062 41.1925 178.1914 46 K 3.9553 8.2687 120.3136 59.8155 32.1798 178.6773 47 M 4.2103 8.5599 119.5501 58.4135 31.8274 178.9389 48 G 3.6674 8.5931 106.2892 47.6954 0.0000 175.4195 49 F 4.2289 8.4442 123.0710 61.3091 39.5912 176.9782 50 N 4.3937 8.3440 116.0109 56.3347 38.3126 177.5480 51 I 3.8606 8.0926 121.4706 64.3151 37.2225 178.6438 52 G 3.5060 8.2704 106.9899 47.8306 0.0000 175.8532 53 V 3.4760 7.2906 119.4524 65.2708 31.7943 177.8584 54 R 4.1658 7.3390 116.4327 58.5066 30.3022 178.3954 55 L 3.8383 8.2835 120.4482 58.1157 41.9167 178.7317 56 I 3.7294 7.7269 118.5684 64.1409 37.8552 177.7940 57 E 3.9762 8.1508 119.2757 59.2266 29.0851 178.5545 58 D 4.3606 8.0711 116.4372 57.3988 41.5116 177.6434 59 F 4.3180 8.5436 121.0657 61.5210 39.2002 177.1483 60 L 3.9977 8.4203 118.4539 57.6242 41.1448 179.3710 61 A 4.0759 7.7820 119.6631 54.4740 18.3971 178.9333 62 R 4.2676 7.3660 114.2551 55.7579 30.9093 175.8220 63 S 4.5521 6.9700 111.3530 56.5877 65.5382 173.4720 64 N 4.8620 8.3178 114.3033 53.1838 38.6531 176.3275 65 V 3.8126 7.9181 120.8062 63.6211 32.9196 177.9363 66 G 3.5681 7.6523 107.6626 46.8217 0.0000 174.9005 67 R 4.4271 8.5110 127.6427 54.8043 30.4696 174.9337 68 C 4.7868 7.9407 118.3583 57.9444 32.0074 173.0147 69 H 5.0080 8.4157 117.0378 54.9113 29.8827 173.3629 70 D 4.7574 8.1621 118.8619 52.8472 42.6205 175.3183 71 F 4.4885 8.7139 129.0410 61.5134 39.6005 177.0279 72 R 3.8345 8.0008 117.9424 59.2755 29.9052 177.7897 73 E 3.9054 8.6977 119.3913 59.5828 29.5211 178.9142 74 T 3.8419 8.2500 115.7293 66.5180 68.4986 176.1954 75 A 3.5576 7.7929 122.7506 55.2321 18.1200 179.3602 76 D 4.2234 7.9317 117.1037 57.5833 40.9125 179.3743 77 V 3.6465 7.9991 118.7637 65.8891 31.4688 178.0736 78 I 3.6799 8.1327 119.7639 64.4145 36.7981 178.3636 79 A 3.9000 7.9727 120.0683 54.9512 18.4099 179.2610 80 K 4.2674 8.1914 114.7635 57.2665 32.7422 177.7510 81 V 4.2684 7.6004 115.4484 64.3210 33.3282 177.1657 82 A 3.9662 8.1359 120.1678 55.2364 18.2151 179.5660 83 F 3.9042 8.6093 116.5488 60.4924 39.0215 177.8654 84 K 4.1537 8.0933 120.0961 59.2389 31.9071 178.4130 85 M 3.8982 8.0265 117.3327 58.3359 32.2240 176.9560 86 Y 4.7889 7.8294 114.2565 58.2019 39.0958 176.2135 87 L 4.7937 8.0547 116.6944 53.2517 43.7792 177.4361 88 G 4.0201 8.4000 106.2451 45.5286 0.0000 173.2751 89 I 4.6470 7.4933 111.6362 58.9561 40.5749 174.6794 90 T 4.5015 8.2201 118.2861 60.9416 69.4202 172.3210 91 P 4.6043 0.0000 0.0000 62.4544 32.3822 176.2585 92 S 4.5128 8.5811 115.8403 58.0022 65.0998 172.8668 93 I 4.9099 8.1475 122.3846 60.1653 38.4611 174.9380 94 T 4.6170 8.2805 116.5029 59.6974 73.0914 172.9501 95 N 4.3305 8.7318 115.2683 54.0568 35.7231 175.3633 96 W 4.5389 8.2112 117.0868 56.5565 30.3236 177.0999 97 S 4.5216 9.0417 117.4299 57.4368 63.4028 173.4267 98 P 4.2367 0.0000 0.0000 65.9616 31.0575 177.9381 99 A 4.0664 8.1082 118.2318 52.8977 18.4426 177.7992 100 G 4.1058 8.2046 103.7292 46.4821 0.0000 173.9903 101 D 5.0963 8.2780 117.0677 53.0458 40.9606 175.5119 102 E 5.5668 8.4667 118.8234 55.3968 34.3289 173.9852 103 F 4.7110 8.5264 117.0983 55.7952 41.8808 172.9169 104 S 4.9926 8.7650 115.3057 56.6787 66.2001 173.2443 105 L 4.9119 8.6749 123.6782 53.3481 43.6223 175.4093 106 I 4.7481 8.6418 125.6090 59.5165 39.5116 174.5453 107 L 4.9672 8.7761 127.6554 52.7888 43.6445 178.0004 108 E 3.9522 9.2205 125.5299 59.0445 30.4103 177.3489 *109 N 5.1736 7.8382 116.4036 51.2073 39.9132 177.1402 110 N 5.0395 8.4453 114.9588 52.7383 40.9310 174.1842 111 P 4.2166 0.0000 0.0000 65.5571 31.5956 177.1280 112 L 4.1778 7.5157 115.1100 55.0486 41.7302 177.3071 113 V 4.1914 7.8669 112.1373 60.7056 32.1965 174.5295 114 D 3.9427 8.1228 119.8711 55.7553 40.6971 176.7748 115 F 3.8793 8.0950 123.9772 58.8974 36.6231 176.2209 116 V 4.3417 7.4196 117.8128 61.7966 31.3040 175.3559 *117 E 4.1254 7.8485 116.9229 55.5672 30.7043 178.6040 118 L 4.2490 8.2019 124.1892 52.8008 42.7402 175.4102 119 P 4.3585 0.0000 0.0000 63.0463 31.9184 178.1636 *120 D 4.4624 8.5857 120.3871 56.2604 39.8852 177.1545 121 N 4.6686 8.1141 113.5384 55.5933 38.9588 175.0571 122 H 5.8196 7.9146 115.9529 54.4302 29.5037 176.3194 123 S 4.1285 8.3686 116.4124 61.2135 62.2619 174.9276 124 S 4.4512 7.8597 113.8042 58.9137 63.2970 174.1422 125 L 4.1364 7.7104 123.3572 55.0422 42.3892 176.8529 126 I 4.1754 8.9815 127.7111 59.3260 36.8365 175.4754 127 Y 3.9704 8.3587 126.9727 60.3517 39.0743 177.7909 128 S 5.0094 7.5919 113.4182 57.8151 63.5384 175.4891 129 N 4.5725 8.1112 122.0393 56.3744 38.3581 175.9347 130 L 4.2582 8.2893 121.6534 58.7026 42.0047 178.8235 131 L 3.9899 8.2794 118.5202 57.8857 41.4848 179.3698 132 C 4.2528 8.3015 116.5974 62.6684 27.9946 176.2777 133 G 3.7137 8.1329 106.8716 47.7905 0.0000 175.5832 134 V 3.6906 7.9860 120.9526 65.7197 31.5676 178.0040 135 L 3.9336 7.9201 118.5468 57.9110 41.5077 179.6303 136 R 4.0586 8.1017 118.6746 59.3006 29.8366 178.8179 137 G 2.6456 8.1198 104.5942 47.3293 0.0000 175.1500 138 A 4.1832 7.9767 123.7113 55.0124 18.3842 179.7899 139 L 4.0353 7.9117 117.2001 57.5174 41.7161 179.0141 140 E 4.0894 8.3227 119.5942 59.7640 29.3242 178.5124 141 M 4.3790 7.6913 116.3248 56.6264 32.1121 177.2213 142 V 4.4132 7.3768 112.0099 61.0975 32.6547 175.4236 143 Q 3.6213 8.2517 116.1395 57.3206 26.4985 172.7767 144 M 5.1348 8.2500 117.5372 53.4768 34.3357 175.6193 145 A 4.3368 8.7599 127.4990 51.4381 19.6102 176.5668 146 V 4.8319 8.3581 114.7356 59.7374 36.0847 174.6093 147 E 4.7493 8.9172 122.7006 54.3941 32.0056 174.4520 148 A 5.2963 8.5754 127.8167 49.9745 21.8066 175.1959 149 K 4.6617 8.6442 120.3588 55.1657 36.6400 175.4557 150 F 4.5730 8.9661 121.3916 57.8241 38.9507 175.5618 151 V 4.4390 8.9667 116.4936 61.4639 33.8385 175.8982 152 Q 4.8936 7.9891 117.9536 54.3384 33.6994 173.8521 153 D 4.9352 9.5169 121.5638 53.2623 44.3816 176.3941 154 T 4.1391 8.9093 116.5891 63.8993 68.9622 176.2463 155 L 3.9309 8.1192 123.3121 57.1406 42.1356 177.4100 156 K 4.3077 8.1255 116.3990 56.0215 32.0409 177.1689 157 G 3.9106 8.0552 107.1069 45.4229 0.0000 173.9889 158 D 4.6098 7.7052 119.4638 53.7226 41.5427 177.4291 159 G 3.7167 8.4453 109.1706 47.6648 0.0000 173.6586 160 V 4.5918 7.3010 110.9789 60.3216 36.5345 174.2144 161 T 4.7049 8.7671 118.5631 62.1892 70.6097 173.8334 162 E 5.0223 9.1774 126.7057 54.4693 33.0961 174.0799 163 I 4.4490 8.3737 128.0292 59.4978 39.5571 174.5624 164 R 4.5459 8.6786 128.7977 55.3772 31.7703 174.8131 165 M 5.1236 8.4984 125.8746 53.3349 35.4792 174.4950 166 R 5.0966 8.9401 123.7374 54.3069 33.3163 174.0051 167 F 4.1673 8.9920 129.9899 58.4435 39.3453 174.4261 168 I 4.1027 7.8052 128.0853 62.2004 37.6662 176.0017 169 R 4.3240 6.1330 115.4961 54.8516 32.2672 173.3241 170 R 4.5448 8.7622 121.3459 56.5410 31.0962 176.2472 171 I 4.1329 8.5186 125.9375 61.4873 36.9175 175.6276 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 13 K 8.30 4.37 0.00 1.77 1.83 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.38 7.81 14 M 8.16 4.69 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 15 S 8.44 4.44 0.00 3.94 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 16 S 8.44 4.74 0.00 4.16 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 0.00 17 E 8.11 4.13 0.00 2.21 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 2.43 2.36 0.00 18 L 8.00 4.03 0.00 1.86 1.74 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.34 4.50 0.00 3.06 3.26 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 20 T 8.38 3.79 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 1.21 0.00 0.00 21 L 8.35 4.20 0.00 1.79 1.82 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.32 3.95 4.60 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 1.32 0.00 0.00 23 Y 8.66 4.22 0.00 2.97 3.10 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 0.00 0.00 0.00 0.00 24 G 8.52 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 25 A 8.05 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 26 L 7.80 3.78 0.00 1.72 1.61 0.90 0.94 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 27 V 7.29 3.29 1.74 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 0.80 0.00 0.00 -0.18 0.00 0.00 28 T 7.99 3.84 4.44 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 1.22 0.00 0.00 29 Q 8.20 3.95 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 30 L 8.11 4.17 0.00 1.86 1.79 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 31 C 8.38 4.24 0.00 3.15 3.01 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 32 K 7.83 3.97 0.00 2.02 2.01 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.35 7.81 33 D 8.05 4.31 0.00 2.64 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 0.00 0.00 0.00 34 Y 7.64 4.50 0.00 3.06 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 35 E 8.18 3.85 0.00 2.10 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 0.00 2.37 2.37 0.00 36 N 7.66 4.53 0.00 2.73 2.78 0.00 0.00 7.07 8.49 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 37 D 8.65 4.31 0.00 2.68 2.65 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 0.00 0.00 0.00 0.00 38 E 8.17 3.96 0.00 2.20 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 2.38 2.44 0.00 39 D 8.24 4.14 0.00 2.81 2.15 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 40 V 7.58 3.39 2.15 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 1.03 0.00 0.00 1.02 0.00 0.00 41 N 8.25 4.24 0.00 2.89 2.84 0.00 0.00 7.08 7.87 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 42 K 7.94 3.91 0.00 1.83 1.75 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.57 7.81 43 Q 7.97 3.90 0.00 1.88 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 1.99 1.83 0.00 44 L 8.17 4.01 0.00 1.82 1.86 0.80 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.14 4.37 0.00 2.84 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 46 K 8.27 3.96 0.00 1.92 1.90 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.43 1.35 7.81 47 M 8.56 4.21 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.60 0.00 48 G 8.59 3.67 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 0.00 49 F 8.44 4.23 0.00 3.26 3.25 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 50 N 8.34 4.39 0.00 3.00 2.89 0.00 0.00 7.09 7.34 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 51 I 8.09 3.86 1.99 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 1.44 0.71 0.81 0.00 0.00 52 G 8.27 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.29 3.48 1.88 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 0.81 0.00 0.00 0.50 0.00 0.00 54 R 7.34 4.17 0.00 2.02 1.90 0.00 3.17 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 55 L 8.28 3.84 0.00 1.58 1.47 0.14 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.73 3.73 1.84 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.34 0.94 0.00 0.00 57 E 8.15 3.98 0.00 2.24 1.99 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 2.33 2.46 0.00 58 D 8.07 4.36 0.00 2.69 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.54 4.32 0.00 3.44 3.32 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 60 L 8.42 4.00 0.00 1.78 1.73 0.99 0.96 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 61 A 7.78 4.08 1.37 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 0.00 0.00 62 R 7.37 4.27 0.00 1.82 1.83 0.00 3.23 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.49 0.00 63 S 6.97 4.55 0.00 3.58 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 64 N 8.32 4.86 0.00 2.67 2.80 0.00 0.00 6.79 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 65 V 7.92 3.81 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 0.88 0.00 0.00 1.05 0.00 0.00 66 G 7.65 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.51 4.43 0.00 2.05 1.87 0.00 3.39 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.16 0.00 68 C 7.94 4.79 0.00 3.08 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 69 H 8.42 5.01 0.00 3.13 3.37 0.00 5.88 0.00 0.00 0.00 0.00 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.16 4.76 0.00 2.79 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 71 F 8.71 4.49 0.00 2.89 3.10 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 0.00 0.00 0.00 0.00 72 R 8.00 3.83 0.00 1.49 1.84 0.00 2.61 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.45 0.00 73 E 8.70 3.91 0.00 2.05 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 2.33 2.36 0.00 74 T 8.25 3.84 4.53 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 1.34 0.00 0.00 75 A 7.79 3.56 0.17 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 76 D 7.93 4.22 0.00 2.86 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 77 V 8.00 3.65 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 1.25 0.00 0.00 1.08 0.00 0.00 78 I 8.13 3.68 2.14 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 1.47 0.52 1.19 0.00 0.00 79 A 7.97 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 80 K 8.19 4.27 0.00 1.85 1.89 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.49 7.81 81 V 7.60 4.27 2.47 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 1.34 0.00 0.00 1.02 0.00 0.00 82 A 8.14 3.97 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 83 F 8.61 3.90 0.00 3.41 3.39 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 84 K 8.09 4.15 0.00 1.92 1.99 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.43 7.81 85 M 8.03 3.90 0.00 1.58 1.92 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 1.75 0.00 86 Y 7.83 4.79 0.00 3.02 2.85 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 87 L 8.05 4.79 0.00 1.85 1.77 0.79 1.19 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 88 G 8.40 4.02 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 0.00 0.00 0.00 89 I 7.49 4.65 1.93 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 1.60 1.19 0.97 0.00 0.00 90 T 8.22 4.50 4.25 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 1.25 0.00 0.00 91 P 0.00 4.60 0.00 1.73 1.65 0.00 3.86 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.48 0.00 92 S 8.58 4.51 0.00 3.91 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 93 I 8.15 4.91 1.85 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.52 0.64 0.00 0.00 94 T 8.28 4.62 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 1.18 0.00 0.00 95 N 8.73 4.33 0.00 2.84 2.92 0.00 0.00 6.89 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 96 W 8.21 4.54 0.00 3.30 3.18 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 0.00 0.00 0.00 0.00 97 S 9.04 4.52 0.00 4.13 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 98 P 0.00 4.24 0.00 2.11 2.21 0.00 3.75 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 2.08 2.15 0.00 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0.00 0.00 0.00 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 0.00 141 M 7.69 4.38 0.00 2.00 2.23 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.74 0.00 142 V 7.38 4.41 2.15 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 0.80 0.00 0.00 1.09 0.00 0.00 143 Q 8.25 3.62 0.00 2.42 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.39 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 144 M 8.25 5.13 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.78 0.00 145 A 8.76 4.34 1.15 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 0.00 0.00 146 V 8.36 4.83 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 0.93 0.00 0.00 1.01 0.00 0.00 147 E 8.92 4.75 0.00 1.98 1.72 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 2.16 2.20 0.00 148 A 8.58 5.30 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 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.64 4.66 0.00 1.82 1.85 0.00 1.31 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.38 7.81 150 F 8.97 4.57 0.00 2.99 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 0.00 151 V 8.97 4.44 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 0.66 0.00 0.00 0.89 0.00 0.00 152 Q 7.99 4.89 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 153 D 9.52 4.94 0.00 2.66 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 0.00 154 T 8.91 4.14 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 1.28 0.00 0.00 155 L 8.12 3.93 0.00 1.64 1.71 0.77 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.13 4.31 0.00 1.89 1.79 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.33 7.81 157 G 8.06 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 0.00 158 D 7.71 4.61 0.00 2.95 2.79 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 0.00 159 G 8.45 3.72 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 0.00 0.00 0.00 160 V 7.30 4.59 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 0.72 0.00 0.00 0.92 0.00 0.00 161 T 8.77 4.70 4.41 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 1.55 0.00 0.00 162 E 9.18 5.02 0.00 1.96 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 2.09 2.17 0.00 163 I 8.37 4.45 1.59 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 -0.08 0.59 0.00 0.00 164 R 8.68 4.55 0.00 1.80 1.67 0.00 2.92 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 165 M 8.50 5.12 0.00 1.60 0.72 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 2.21 2.30 0.00 166 R 8.94 5.10 0.00 1.79 1.70 0.00 3.08 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 167 F 8.99 4.17 0.00 1.51 2.34 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 0.00 168 I 7.81 4.10 1.70 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 1.16 0.67 0.77 0.00 0.00 169 R 6.13 4.32 0.00 1.75 1.83 0.00 2.89 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.44 0.00 170 R 8.76 4.54 0.00 2.03 1.95 0.00 3.22 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 171 I 8.52 4.13 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.68 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.