NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.1382 8.3149 121.7952 57.2327 33.3655 174.0122 7 L 3.7784 8.6762 126.3065 54.0016 41.1664 172.1839 8 P 4.5188 0.0000 0.0000 61.5541 32.9869 173.3347 9 P 4.3174 0.0000 0.0000 64.6734 31.9925 175.2308 10 G 4.1107 9.0750 111.3202 45.2611 0.0000 173.8706 11 W 4.9205 7.1932 117.3777 57.2966 29.8530 175.3071 12 E 4.8299 9.5325 121.7826 55.5427 33.3596 173.3062 13 K 4.4725 8.5433 124.1256 54.7630 33.6621 175.5482 14 R 4.3572 7.4556 127.4705 56.5498 33.9561 175.3581 15 M 5.4298 8.5261 120.6951 56.3217 34.6523 175.9159 16 S 4.2981 9.5333 122.3894 58.7993 63.9654 175.2874 17 R 3.8554 8.8922 121.5566 58.1647 30.3730 176.5530 18 S 3.6354 8.8757 113.3992 58.3249 61.0307 171.9825 19 S 4.4000 7.9239 114.2591 56.5216 64.6142 174.9239 20 G 3.8894 8.6855 115.6048 45.5653 0.0000 170.5717 21 R 4.8830 8.3404 123.4297 54.4112 34.1779 174.0611 22 V 4.8581 9.0704 124.7544 61.8917 32.9296 173.8731 23 Y 5.0540 7.8618 125.8802 56.5759 41.6473 172.4533 24 Y 5.2461 9.3484 116.3106 56.5357 41.1297 175.0793 25 F 5.5797 9.6194 125.2595 56.4355 43.5629 173.1124 26 N 4.3425 6.8877 122.7411 51.5127 40.0659 174.7214 27 H 4.2474 8.2211 124.6630 58.5988 28.8359 177.0757 28 I 4.0258 7.6981 117.8951 62.9067 37.9241 176.7093 29 T 4.0564 7.8983 109.4031 61.1847 69.5700 175.1750 30 N 4.1122 8.0215 119.0175 54.0236 36.7715 173.1607 31 A 4.8132 6.9633 119.6197 51.2686 20.5883 177.5440 32 S 5.6248 8.3833 116.3759 57.0293 66.4241 173.5664 33 Q 4.4899 8.7782 118.5006 55.5004 31.4651 175.4079 34 W 4.5112 9.0212 122.2555 60.1007 29.5127 177.2323 35 E 4.1601 8.2247 116.0518 56.2281 29.4962 176.5537 36 R 2.8455 8.0367 122.4765 54.5316 30.9094 174.5015 37 P 3.8254 0.0000 0.0000 64.9338 31.0002 175.4963 38 S 4.5668 7.1226 110.4949 56.0781 65.2892 172.2180 39 G 3.4997 7.8368 108.3544 47.3013 0.0000 174.4924 *45 G 3.7055 7.4771 115.1983 44.2778 0.0000 170.9763 46 K 4.3975 7.9591 125.8597 54.2997 32.4662 175.1505 47 N 4.6561 8.1356 121.7168 51.4610 37.8447 176.0016 48 G 4.0136 8.6809 103.4824 46.5118 0.0000 175.4271 49 Q 4.0190 7.8440 120.5604 56.5605 29.9495 178.6707 50 G 3.7819 7.2531 106.6826 46.5233 0.0000 172.0708 51 E 4.7894 8.3650 119.1799 53.4674 32.8430 173.6738 52 P 4.4710 0.0000 0.0000 62.7548 32.0694 176.1685 53 A 4.4352 8.4159 121.2486 53.9601 19.1990 177.8790 54 R 5.0131 7.6139 112.5255 54.9123 34.6740 175.4972 55 V 4.3225 8.0501 114.8518 59.8763 36.3473 174.0163 56 R 4.5763 8.6792 126.6133 55.4664 31.4566 174.9500 57 C 5.3929 8.7861 121.7351 58.3732 33.4855 172.8771 58 S 5.5980 9.4131 116.9348 57.3988 66.3849 172.8853 59 H 6.3000 9.5364 117.4633 54.5046 32.1834 172.2922 60 L 4.6028 8.6460 120.2431 53.1230 45.0571 174.4155 61 L 5.0249 8.5046 128.1350 53.1827 44.8127 174.8498 62 V 4.8757 8.6788 125.8773 61.1510 33.7741 174.2966 63 A 4.9983 9.2885 130.2164 50.6410 21.6208 175.0823 64 H 5.1287 8.4171 114.5378 53.3151 31.7383 174.5620 65 S 4.1969 8.6959 113.3958 61.1519 62.5666 175.1225 66 Q 4.4617 8.1412 117.5528 55.6850 28.9765 175.8960 67 S 4.4635 8.0696 116.4635 58.0098 63.4345 175.3417 68 R 3.7759 9.0797 121.8167 58.8602 29.0315 176.5780 69 R 4.4984 7.5248 118.2336 53.0774 30.4493 175.0088 70 P 4.8040 0.0000 0.0000 61.7004 30.6358 176.7679 71 S 4.8843 8.7280 114.3649 58.4553 67.3545 173.4760 72 S 4.6243 7.9267 113.6477 57.2674 65.4590 176.6808 73 W 4.3990 8.9816 118.1001 58.6451 27.8237 177.1774 74 R 3.4551 6.5240 117.4383 57.5208 30.0001 176.8163 75 Q 4.4007 7.8283 113.8380 54.8192 31.6729 174.4219 76 E 3.9354 9.1262 123.8377 58.5625 29.7028 177.0511 77 K 4.5777 7.5977 117.9922 54.4429 34.8042 175.0722 78 I 4.3061 9.1399 128.1572 60.4377 37.4265 175.6921 79 T 4.4125 8.3648 115.4887 62.0050 70.7506 175.3101 80 R 4.0944 7.9071 118.4160 56.8670 29.7026 176.2144 81 T 4.5981 8.7261 111.3748 60.5123 71.4929 176.1288 82 K 3.8314 8.4363 120.1760 59.9558 32.1073 179.3140 83 E 4.0253 8.1402 117.9687 59.4871 29.5482 179.2051 84 E 4.0748 8.0075 118.3646 59.3846 29.5536 179.2852 85 A 4.0028 8.3108 121.0208 54.9169 18.3855 179.3823 86 L 4.0056 7.9836 119.2156 57.6940 42.0303 178.9887 87 E 3.8955 7.9408 117.8970 59.2730 29.5139 179.0963 88 L 3.4264 7.5684 119.7111 57.2491 41.6591 179.3028 89 I 3.7066 7.4578 119.4782 64.5484 37.0517 177.7883 90 N 4.3221 8.0794 117.1448 56.7065 38.5266 177.5495 91 G 3.5296 8.1431 106.8543 48.1903 0.0000 175.2795 92 Y 4.5032 8.0144 119.3989 60.8419 37.8563 178.5321 93 I 3.8292 8.3724 121.3701 64.3829 37.2412 178.1990 94 Q 4.0086 8.8243 120.8749 59.0773 28.7651 178.3013 95 K 4.0542 8.2258 120.7341 59.4108 32.2033 178.7682 96 I 4.6024 8.1302 121.8551 64.0312 36.8913 178.3169 97 K 3.9726 8.0992 118.6181 59.7347 32.1079 179.3627 98 S 4.3115 7.9283 112.8505 59.8016 62.9868 175.4851 99 G 4.0132 8.1808 110.7367 45.1850 0.0000 174.1531 100 E 4.1049 7.6896 119.3592 58.7792 30.0252 176.8366 101 E 4.7289 8.0506 117.8271 53.8687 34.0080 174.5303 102 D 4.9513 8.5814 123.4375 52.6099 41.9891 177.2737 103 F 4.0306 8.7841 122.2636 61.5677 39.3641 177.0464 104 E 4.0450 8.5474 117.8318 59.7114 29.4143 179.5416 105 S 4.0550 8.2280 113.8183 61.2721 63.0263 176.5006 106 L 3.7767 7.5957 122.6450 57.4337 41.3263 179.1923 107 A 3.7414 7.9516 121.1543 55.1206 18.1032 179.8098 108 S 4.5629 8.1343 115.1278 60.5562 62.6747 176.3983 109 Q 3.9215 7.3054 119.6354 56.8317 28.7948 176.4093 110 F 4.9504 7.5342 114.7233 56.4576 41.1883 175.3433 111 S 4.3435 7.7590 115.1600 59.0776 62.4970 173.2823 112 D 4.8654 9.3154 126.6512 54.1299 41.0092 175.7135 113 C 5.0083 7.8998 119.4596 57.0264 34.2704 174.8577 114 S 4.0798 8.8118 121.0672 61.1645 62.2709 176.4291 115 S 4.2597 8.0907 116.8379 60.2004 62.7035 175.6650 116 A 4.1036 8.2176 126.0184 54.8805 17.8619 178.7559 117 K 4.0841 7.4350 114.2296 57.4584 33.4855 176.8782 118 A 4.6200 8.0424 124.2403 52.6063 19.3140 177.0344 119 R 3.9418 8.7082 114.5871 56.8535 28.3247 177.7140 120 G 3.9751 8.1077 104.3914 45.7682 0.0000 173.4973 121 D 5.3155 8.3696 118.3172 53.5623 41.6802 176.0056 122 L 4.6221 8.3304 121.3328 53.3259 43.3693 177.6487 123 G 3.9721 8.9301 110.0709 44.1683 0.0000 172.7101 124 A 4.5479 8.3259 120.8136 51.7618 19.0862 176.8769 125 F 5.2087 8.3731 116.2809 55.4711 41.0172 173.0148 126 S 5.6821 8.7014 112.6555 56.0864 66.8117 173.4715 127 R 4.2277 8.4318 119.1467 56.5869 30.3415 175.1206 128 G 3.6207 9.0214 116.4510 46.1374 0.0000 175.2139 129 Q 4.0166 7.4506 121.2111 58.6936 29.2039 176.5184 130 M 4.1374 7.6608 115.1653 54.3520 32.9465 176.4757 131 Q 4.0824 8.4762 119.9323 56.2219 29.9278 177.6475 132 K 4.1770 8.5787 126.3910 59.0914 32.6457 176.2793 133 P 4.2804 0.0000 0.0000 65.6186 31.2736 178.4037 134 F 4.0283 8.2357 118.9777 61.1477 39.3447 176.4785 135 E 4.4161 8.8496 119.2908 59.6661 29.3551 178.1472 136 D 4.4861 8.5943 117.9375 57.6964 41.2165 178.8581 137 A 4.0457 7.9130 120.3204 55.2299 18.2888 179.4383 138 S 3.9934 8.3220 113.4688 62.1777 62.9094 177.4224 139 F 3.9466 8.7927 118.0183 59.6161 38.7233 177.0414 140 A 4.2786 7.9612 119.5433 52.8990 18.8007 177.7301 141 L 4.2612 6.7699 116.8852 54.5084 42.6941 176.4557 142 R 4.6316 8.3879 119.3062 54.0999 32.6611 176.0990 143 T 3.8266 8.2775 116.1723 65.8463 68.5816 174.8304 144 G 3.9383 8.9051 115.5469 44.9961 0.0000 173.2280 145 E 4.4569 8.4588 119.8128 55.8924 31.1595 175.2186 146 M 5.1272 8.5065 121.4118 53.9328 35.3840 175.1704 147 S 4.5362 8.8207 119.8142 57.4366 65.7299 172.4761 148 G 4.7715 8.0959 108.4913 42.9994 0.0000 171.2471 149 P 4.4940 0.0000 0.0000 62.8781 32.0079 176.3748 150 V 4.5502 8.4178 123.2134 61.1993 34.5907 173.9650 151 F 5.4864 9.3372 126.4466 56.3422 40.9353 175.0736 152 T 4.7920 8.9137 111.7833 60.3260 71.9882 174.2343 153 D 4.5864 9.0189 120.4618 56.2359 40.6697 178.4791 154 S 4.2816 8.9020 115.0736 58.5812 64.4876 174.0602 155 G 3.6566 7.1802 108.3948 44.4465 0.0000 172.1154 156 I 4.7126 8.4026 123.8457 59.9890 39.5488 175.4980 157 H 5.4415 9.8267 124.8853 54.4334 32.3269 174.0929 158 I 4.5582 8.4097 118.9261 60.1175 40.5310 174.6619 159 I 4.8103 8.8751 129.2554 59.8556 39.3644 175.0997 160 L 4.7935 9.2840 128.5380 53.0380 44.9509 175.1922 161 R 4.5212 8.5143 128.2650 56.4485 30.5060 176.7337 162 T 4.2919 8.6557 116.4965 62.4955 70.8477 174.7328 163 E 4.1497 7.6610 126.0784 56.5573 30.7076 174.6880 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 6 K 8.31 4.14 0.00 1.76 1.82 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.43 7.81 7 L 8.68 3.78 0.00 2.01 2.13 1.21 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.52 0.00 2.52 2.11 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 9 P 0.00 4.32 0.00 2.06 2.05 0.00 3.78 0.00 0.00 3.73 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 10 G 9.08 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 11 W 7.19 4.92 0.00 3.42 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 12 E 9.53 4.83 0.00 2.12 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 2.24 2.30 0.00 13 K 8.54 4.47 0.00 1.62 1.55 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.67 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.07 0.92 7.81 14 R 7.46 4.36 0.00 0.67 1.47 0.00 3.33 0.00 0.00 3.51 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.46 0.00 15 M 8.53 5.43 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.28 0.00 16 S 9.53 4.30 0.00 3.83 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 17 R 8.89 3.86 0.00 1.86 1.86 0.00 3.21 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 18 S 8.88 3.64 0.00 3.90 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 19 S 7.92 4.40 0.00 4.05 3.83 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 20 G 8.69 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 0.00 0.00 0.00 21 R 8.34 4.88 0.00 2.01 2.36 0.00 3.32 0.00 0.00 3.42 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.08 0.00 22 V 9.07 4.86 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 0.82 0.00 0.00 1.01 0.00 0.00 23 Y 7.86 5.05 0.00 3.17 2.67 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 24 Y 9.35 5.25 0.00 3.00 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 25 F 9.62 5.58 0.00 3.10 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 26 N 6.89 4.34 0.00 1.44 1.55 0.00 0.00 7.25 7.84 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 27 H 8.22 4.25 0.00 3.02 3.31 0.00 5.70 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.70 4.03 1.80 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 1.33 0.71 0.90 0.00 0.00 29 T 7.90 4.06 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 1.05 0.00 0.00 30 N 8.02 4.11 0.00 2.98 3.04 0.00 0.00 6.67 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 31 A 6.96 4.81 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 32 S 8.38 5.62 0.00 3.76 3.65 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 33 Q 8.78 4.49 0.00 2.35 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 34 W 9.02 4.51 0.00 3.42 3.33 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 0.00 35 E 8.22 4.16 0.00 1.91 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 2.35 2.43 0.00 36 R 8.04 2.85 0.00 1.35 1.56 0.00 3.11 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.50 0.00 37 P 0.00 3.83 0.00 1.35 0.49 0.00 2.60 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.47 0.00 38 S 7.12 4.57 0.00 3.84 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 39 G 7.84 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.48 3.71 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 0.00 0.00 0.00 46 K 7.96 4.40 0.00 1.67 1.69 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.30 1.37 7.81 47 N 8.14 4.66 0.00 2.91 2.94 0.00 0.00 6.05 7.39 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 48 G 8.68 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 49 Q 7.84 4.02 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.78 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 50 G 7.25 3.78 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 0.00 0.00 0.00 51 E 8.37 4.79 0.00 2.17 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 2.20 2.36 0.00 52 P 0.00 4.47 0.00 2.32 2.08 0.00 3.84 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 1.98 1.89 0.00 53 A 8.42 4.44 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 54 R 7.61 5.01 0.00 1.63 1.70 0.00 3.22 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 55 V 8.05 4.32 1.55 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 0.13 0.00 0.00 -0.58 0.00 0.00 56 R 8.68 4.58 0.00 1.82 1.79 0.00 3.07 0.00 0.00 3.41 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.36 0.00 57 C 8.79 5.39 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 58 S 9.41 5.60 0.00 3.65 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 59 H 9.54 6.30 0.00 3.52 3.56 0.00 5.50 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.65 4.60 0.00 1.18 1.34 0.51 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.50 5.02 0.00 1.71 1.40 0.79 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.68 4.88 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 1.02 0.00 0.00 1.09 0.00 0.00 63 A 9.29 5.00 1.21 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 0.00 0.00 64 H 8.42 5.13 0.00 3.38 3.53 0.00 5.47 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.70 4.20 0.00 4.02 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 66 Q 8.14 4.46 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.98 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 67 S 8.07 4.46 0.00 3.91 3.83 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 68 R 9.08 3.78 0.00 1.89 2.12 0.00 3.01 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 69 R 7.52 4.50 0.00 1.89 1.80 0.00 3.11 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.53 0.00 70 P 0.00 4.80 0.00 2.26 2.27 0.00 3.70 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 71 S 8.73 4.88 0.00 3.69 3.74 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 72 S 7.93 4.62 0.00 4.03 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 73 W 8.98 4.40 0.00 3.60 3.28 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 74 R 6.52 3.46 0.00 1.55 1.55 0.00 2.94 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 75 Q 7.83 4.40 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.71 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 76 E 9.13 3.94 0.00 1.94 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 0.00 2.30 2.33 0.00 77 K 7.60 4.58 0.00 1.66 1.60 0.00 1.71 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.49 7.81 78 I 9.14 4.31 1.93 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 0.95 1.33 1.00 0.00 0.00 79 T 8.36 4.41 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 80 R 7.91 4.09 0.00 1.99 2.11 0.00 3.20 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 81 T 8.73 4.60 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 1.21 0.00 0.00 82 K 8.44 3.83 0.00 1.77 1.93 0.00 1.63 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.93 1.34 7.81 83 E 8.14 4.03 0.00 2.05 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 0.00 2.40 2.47 0.00 84 E 8.01 4.07 0.00 2.11 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 2.31 2.31 0.00 85 A 8.31 4.00 1.42 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 0.00 0.00 86 L 7.98 4.01 0.00 1.99 1.91 1.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 87 E 7.94 3.90 0.00 2.21 2.32 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 2.17 2.23 0.00 88 L 7.57 3.43 0.00 1.72 1.20 0.83 0.29 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 89 I 7.46 3.71 1.94 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 1.42 0.42 0.90 0.00 0.00 90 N 8.08 4.32 0.00 2.88 2.87 0.00 0.00 7.01 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 91 G 8.14 3.53 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 0.00 0.00 0.00 92 Y 8.01 4.50 0.00 3.14 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 93 I 8.37 3.83 2.11 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 1.65 1.17 0.97 0.00 0.00 94 Q 8.82 4.01 0.00 2.05 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 95 K 8.23 4.05 0.00 2.13 2.02 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.21 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.54 7.81 96 I 8.13 4.60 2.12 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.26 1.05 0.00 0.00 97 K 8.10 3.97 0.00 1.88 1.95 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.63 7.81 98 S 7.93 4.31 0.00 4.09 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 99 G 8.18 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 0.00 100 E 7.69 4.10 0.00 2.01 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 2.37 2.33 0.00 101 E 8.05 4.73 0.00 2.03 1.83 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 2.29 2.47 0.00 102 D 8.58 4.95 0.00 2.95 2.84 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 0.00 103 F 8.78 4.03 0.00 3.16 3.09 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 0.00 104 E 8.55 4.04 0.00 2.35 2.03 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 2.49 2.65 0.00 105 S 8.23 4.06 0.00 4.02 4.17 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 0.00 106 L 7.60 3.78 0.00 1.58 1.43 0.97 0.84 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 0.00 107 A 7.95 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.13 4.56 0.00 3.74 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 0.00 109 Q 7.31 3.92 0.00 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.71 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 110 F 7.53 4.95 0.00 2.69 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 0.00 111 S 7.76 4.34 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 0.00 112 D 9.32 4.87 0.00 2.76 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 0.00 113 C 7.90 5.01 0.00 2.99 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 0.00 114 S 8.81 4.08 0.00 4.00 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 0.00 115 S 8.09 4.26 0.00 4.26 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 0.00 116 A 8.22 4.10 1.45 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 0.00 0.00 117 K 7.44 4.08 0.00 1.74 1.53 0.00 1.37 0.00 0.00 1.44 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.52 1.30 7.81 118 A 8.04 4.62 1.23 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 0.00 0.00 0.00 119 R 8.71 3.94 0.00 1.99 2.07 0.00 3.48 0.00 0.00 2.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 120 G 8.11 3.98 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 0.00 0.00 0.00 121 D 8.37 5.32 0.00 2.65 2.73 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 0.00 122 L 8.33 4.62 0.00 1.85 1.59 0.86 0.66 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 0.00 123 G 8.93 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 0.00 0.00 0.00 124 A 8.33 4.55 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 0.00 125 F 8.37 5.21 0.00 3.15 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 0.00 126 S 8.70 5.68 0.00 3.99 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 0.00 127 R 8.43 4.23 0.00 1.58 1.76 0.00 2.81 0.00 0.00 3.00 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.50 0.00 128 G 9.02 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 0.00 129 Q 7.45 4.02 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.90 0.00 0.00 0.00 0.00 0.00 2.23 2.19 0.00 130 M 7.66 4.14 0.00 1.79 2.04 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.97 0.00 131 Q 8.48 4.08 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 132 K 8.58 4.18 0.00 1.89 1.84 0.00 1.63 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.53 1.90 7.81 133 P 0.00 4.28 0.00 2.37 2.20 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 134 F 8.24 4.03 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 0.00 135 E 8.85 4.42 0.00 2.30 2.23 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 2.41 2.69 0.00 136 D 8.59 4.49 0.00 2.71 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 0.00 137 A 7.91 4.05 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 0.00 138 S 8.32 3.99 0.00 4.30 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 0.00 139 F 8.79 3.95 0.00 2.98 3.17 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 0.00 140 A 7.96 4.28 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 0.00 141 L 6.77 4.26 0.00 1.71 1.55 0.86 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 142 R 8.39 4.63 0.00 2.08 1.79 0.00 3.15 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 143 T 8.28 3.83 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 1.17 0.00 0.00 144 G 8.91 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 0.00 0.00 0.00 145 E 8.46 4.46 0.00 2.07 1.91 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 2.33 2.35 0.00 146 M 8.51 5.13 0.00 2.00 1.84 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 147 S 8.82 4.54 0.00 4.04 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 0.00 148 G 8.10 4.77 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 0.00 149 P 0.00 4.49 0.00 2.09 1.86 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 150 V 8.42 4.55 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 1.00 0.00 0.00 0.89 0.00 0.00 151 F 9.34 5.49 0.00 2.94 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 0.00 152 T 8.91 4.79 4.54 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 1.29 0.00 0.00 153 D 9.02 4.59 0.00 2.94 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 0.00 154 S 8.90 4.28 0.00 3.96 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 0.00 155 G 7.18 3.66 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 0.00 0.00 0.00 156 I 8.40 4.71 1.67 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 0.63 0.16 0.27 0.00 0.00 157 H 9.83 5.44 0.00 3.04 3.44 0.00 5.75 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.41 4.56 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.99 1.24 0.00 0.00 159 I 8.88 4.81 1.66 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 -0.13 0.75 0.00 0.00 160 L 9.28 4.79 0.00 0.60 0.60 0.75 -0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.51 4.52 0.00 1.85 1.82 0.00 2.94 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 162 T 8.66 4.29 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 1.16 0.00 0.00 163 E 7.66 4.15 0.00 1.91 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 2.25 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.