NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4569 8.1933 115.4090 57.2497 64.7130 174.3830 8 P 3.9794 0.0000 0.0000 65.4322 31.1622 177.4753 9 A 4.0286 8.0604 119.4210 54.8974 18.7925 179.2325 10 L 3.7699 7.9088 118.8532 58.7873 42.1837 178.4846 11 I 3.4395 7.9184 119.1975 64.8524 37.0165 177.7147 12 A 3.8640 8.6443 121.4745 55.4781 18.2990 179.7811 13 S 2.9443 7.5861 112.3119 61.3289 62.8171 176.4536 14 Q 2.5200 6.5267 121.9703 57.9070 28.3547 179.9351 15 S 4.0141 7.8070 115.7666 61.5024 62.8652 176.2044 16 S 4.4337 7.8249 115.9074 61.7734 61.9882 176.3838 17 W 4.4212 7.8592 121.1864 59.7908 28.6855 178.5913 18 R 3.9354 7.8527 118.6115 59.8888 29.6962 178.5345 19 C 4.2786 8.6625 116.7712 62.3975 27.6259 176.4761 20 V 3.2467 8.0711 120.3554 66.1708 30.9755 178.2205 21 Q 3.9582 8.1884 116.2666 58.2437 28.6151 177.5640 22 A 4.4781 8.0281 119.1154 51.3711 19.1172 176.6692 23 H 4.2032 7.6868 112.8934 57.1845 26.9714 176.1169 24 D 4.6315 8.0326 120.8784 52.8110 39.1789 175.7182 25 R 2.5100 7.9508 125.0594 58.8816 30.0630 177.5476 26 E 4.0845 8.0484 117.7187 59.0418 29.2029 179.5303 27 G 3.7894 8.1234 106.7946 46.8900 0.0000 175.1460 28 W 4.6359 8.2926 130.4178 60.6618 30.9630 177.7896 29 L 3.9429 7.8533 117.5900 57.4636 40.8066 179.2500 30 A 4.1876 7.6036 120.2178 55.0123 18.4555 179.3825 31 L 4.0045 7.7154 117.2467 56.6122 41.6777 177.0933 32 M 4.3716 7.5890 118.8091 53.7078 32.8328 176.1147 33 A 4.1985 8.1670 126.5107 52.2204 18.8532 177.4694 34 D 4.4826 8.6040 118.9802 56.4707 41.4618 177.1330 35 D 4.9581 7.6328 119.0318 52.4095 38.7831 177.6230 36 V 3.9394 7.6793 118.5784 62.9148 33.4745 175.7617 37 V 4.7441 9.1123 124.0046 61.2928 34.0546 173.9786 38 I 4.6058 8.5383 129.4770 59.9865 39.1090 174.7694 39 E 4.5872 9.3046 127.4271 54.1697 30.6510 172.8758 40 D 5.0491 8.3201 121.6770 51.5624 42.1203 172.5811 41 P 4.4297 0.0000 0.0000 60.3535 33.8725 175.6307 42 I 3.3908 7.5802 121.4154 62.5636 37.3527 176.8829 43 G 3.7722 8.5886 110.3504 44.2803 0.0000 172.0854 44 K 4.2767 8.0208 118.1537 56.0386 32.7768 176.7264 45 S 4.4956 8.7157 117.1600 56.8378 65.9207 174.6630 46 V 3.6366 8.6677 121.9034 66.2359 30.8331 176.8060 47 T 4.4416 7.8598 105.7698 62.3913 69.6079 174.5986 48 N 5.0210 7.8549 120.6306 51.0942 39.1261 172.3824 49 P 4.3237 0.0000 0.0000 64.6626 31.9336 177.1584 50 D 4.5779 8.1167 114.2725 52.4075 39.7978 177.2899 51 G 3.8658 8.0437 107.3149 46.6871 0.0000 174.2865 52 S 4.3777 8.9649 113.4367 57.6086 63.4950 174.7852 53 G 3.8421 8.7521 107.5831 45.4678 0.0000 172.7473 54 I 4.2470 8.8432 120.2918 59.4942 37.9527 175.4389 55 K 4.6801 8.7990 125.5429 55.9626 33.6337 177.3129 56 G 4.1303 9.0546 109.3845 45.5671 0.0000 173.8399 57 K 3.7722 8.6475 119.1953 59.5311 31.9146 179.1923 58 E 3.9055 8.1078 118.4368 59.4207 29.8173 178.6556 59 A 4.1215 7.9724 120.3250 55.0390 18.4168 179.6521 60 V 3.8460 7.9840 116.8301 66.0356 31.6936 178.0132 61 G 4.0652 8.4379 105.4193 48.5223 0.0000 175.4051 62 A 4.2090 8.4225 123.5888 54.2549 18.3863 179.5122 63 F 4.1448 8.5803 119.5471 61.4609 39.5575 176.7566 64 F 3.9069 9.2051 120.6980 61.7146 38.9745 176.6328 65 D 4.5699 8.1089 116.5440 57.9146 40.7529 179.0281 66 T 3.9766 7.6341 114.5876 66.4274 68.6298 175.8560 67 H 4.7834 7.6688 115.4204 56.3070 30.6575 176.3050 68 I 3.7036 6.9337 120.1867 63.1299 37.4744 177.8936 69 A 4.0806 7.5988 120.9464 54.7769 18.3237 178.3716 70 A 4.2531 7.8566 116.7716 53.4651 19.0911 176.3756 71 N 4.5187 8.1345 115.2432 51.5843 40.7215 175.6127 72 R 4.2925 8.8744 129.0887 55.0159 28.3323 173.5860 73 L 4.5521 7.6976 123.0579 53.7509 43.8338 175.2555 74 T 4.6219 8.9405 123.3573 61.7887 70.8632 173.3914 75 V 4.0910 8.3446 127.4690 62.0630 32.7423 175.2902 76 T 4.2313 8.3063 124.8854 61.5627 70.8017 173.3065 77 C 4.1594 8.1666 128.0902 59.2030 30.8933 172.5969 78 E 4.1695 8.7654 129.2546 58.9395 30.1183 176.2456 79 E 4.7844 7.8259 116.8859 55.5513 32.9938 174.2512 80 T 5.2249 8.4126 120.8600 61.9120 71.9837 174.1087 81 F 4.6615 9.2646 123.4787 54.9368 41.5269 172.6867 82 P 4.7704 0.0000 0.0000 62.6408 32.0450 177.2639 83 S 4.7858 7.8788 117.1907 57.9246 65.7068 174.5892 84 S 4.6215 8.7916 117.7210 58.7803 63.2481 173.3240 85 S 4.7792 7.9611 116.3675 55.5595 63.8081 172.6135 86 P 4.3750 0.0000 0.0000 65.2238 31.4790 176.8020 87 D 4.9486 7.8846 118.2245 54.3062 42.4180 175.7977 88 E 5.5492 7.8092 118.5545 54.1337 34.0278 174.0846 89 I 5.0107 8.5781 122.7327 59.3807 42.2256 173.2443 90 A 5.5862 9.0521 127.7757 50.7650 22.5979 174.8016 91 H 5.6375 9.6719 116.1429 54.4462 34.2539 172.4612 92 I 4.9544 8.8009 121.6935 60.4251 38.7580 174.9924 93 L 5.0728 9.1745 126.6623 52.7926 45.4796 175.4968 94 V 4.6098 8.4345 122.6456 61.3062 33.6088 174.2921 95 L 4.7205 8.9669 128.9747 53.3051 43.7757 174.8401 96 H 5.0437 8.9647 124.7267 54.3454 32.3713 172.7642 97 S 4.9113 8.5801 121.6303 56.9215 66.7544 173.3461 98 E 4.9060 8.5301 121.4072 56.1817 33.3899 175.6262 99 F 4.0252 9.0994 122.7816 58.0122 41.8496 175.2990 *103 F 4.6955 7.9388 120.2578 58.3467 40.3350 173.8021 104 T 5.2045 8.2211 116.5505 59.3191 71.4514 173.6758 105 S 4.8615 7.9496 116.6122 56.7152 67.0904 172.1884 106 E 5.1448 8.6930 121.8399 54.7027 33.3575 174.2894 107 V 4.5605 8.5782 125.3649 59.9385 35.0741 173.8214 108 R 5.0046 8.6447 124.5605 54.7533 31.7793 174.9751 109 G 4.3173 9.1614 112.3008 45.0810 0.0000 171.4080 110 V 4.8164 8.3275 119.5271 62.5442 33.0131 174.7392 111 F 5.5805 9.7121 125.6573 56.0415 43.0766 173.9024 112 T 5.4943 9.3162 112.9957 60.3329 72.5025 172.4487 113 Y 5.2419 9.1336 119.4610 56.4486 42.8017 174.2247 114 R 5.1661 9.2928 123.0941 54.6852 33.4080 174.2778 115 V 4.9841 8.2898 119.2861 59.6510 34.7773 176.6470 116 N 4.6796 9.0278 122.0676 52.2963 38.6395 175.3041 117 K 4.1142 8.5148 115.5470 59.1800 33.1561 177.7998 118 A 3.9593 8.0032 121.8488 53.5580 18.4098 178.3401 119 G 3.9222 7.9794 103.2073 45.3577 0.0000 173.6374 120 L 4.4165 7.7231 119.5219 53.6242 42.7951 176.1841 121 I 4.5021 8.5476 123.8245 61.7929 37.2979 176.6752 122 T 4.1543 9.2859 119.2865 63.3306 70.6486 174.8591 123 N 5.4638 7.9329 117.9650 51.4805 43.4596 173.3465 124 M 4.8461 8.7593 121.8677 53.8450 35.7350 174.0666 125 R 4.9530 9.0644 124.8575 54.3413 34.4290 174.2943 126 G 3.9071 8.8975 111.5156 44.6486 0.0000 172.2541 127 Y 4.7661 9.1520 125.7416 55.9029 36.7520 174.5934 128 W 5.4441 7.4030 119.5440 55.1407 32.1741 173.5585 129 N 4.9133 8.7717 115.9248 50.8678 39.9028 175.3346 130 L 4.3037 8.6615 118.2989 57.9332 41.8921 179.6221 131 D 4.4966 7.8118 116.5331 57.1566 40.7656 177.1965 132 M 4.2973 8.2049 116.9306 56.1502 32.5485 175.7931 133 M 4.4861 7.4769 119.6950 54.8129 33.3370 175.3734 134 T 4.4170 8.3096 115.2878 59.7643 72.3787 174.3032 135 F 5.0575 8.2154 119.6616 56.6999 39.4848 175.0756 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 7 S 8.19 4.46 0.00 4.17 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 8 P 0.00 3.98 0.00 2.24 2.13 0.00 3.81 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 2.26 2.19 0.00 9 A 8.06 4.03 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 10 L 7.91 3.77 0.00 1.76 1.79 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.92 3.44 1.93 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.62 0.83 0.00 0.00 12 A 8.64 3.86 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 13 S 7.59 2.94 0.00 2.90 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 6.53 2.52 0.00 1.89 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.86 0.00 0.00 0.00 0.00 0.00 1.61 2.08 0.00 15 S 7.81 4.01 0.00 3.89 3.87 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 16 S 7.82 4.43 0.00 4.08 4.18 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 17 W 7.86 4.42 0.00 3.55 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 18 R 7.85 3.94 0.00 2.06 2.11 0.00 3.12 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 19 C 8.66 4.28 0.00 3.28 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 20 V 8.07 3.25 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 0.87 0.00 0.00 0.38 0.00 0.00 21 Q 8.19 3.96 0.00 2.08 2.15 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 2.60 2.49 0.00 22 A 8.03 4.48 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 23 H 7.69 4.20 0.00 3.36 3.59 0.00 5.85 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.03 4.63 0.00 2.88 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 25 R 7.95 2.51 0.00 1.14 1.61 0.00 3.15 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.92 0.00 26 E 8.05 4.08 0.00 2.04 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 2.35 2.46 0.00 27 G 8.12 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 28 W 8.29 4.64 0.00 3.46 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 29 L 7.85 3.94 0.00 1.73 1.64 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.60 4.19 1.33 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 0.00 0.00 31 L 7.72 4.00 0.00 1.83 1.67 1.10 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.59 4.37 0.00 1.78 1.93 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.29 0.00 33 A 8.17 4.20 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 34 D 8.60 4.48 0.00 2.70 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 35 D 7.63 4.96 0.00 2.63 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.68 3.94 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 0.75 0.00 0.00 0.83 0.00 0.00 37 V 9.11 4.74 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 0.97 0.00 0.00 0.89 0.00 0.00 38 I 8.54 4.61 1.56 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.67 0.66 0.00 0.00 39 E 9.30 4.59 0.00 1.69 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 40 D 8.32 5.05 0.00 2.80 2.74 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 41 P 0.00 4.43 0.00 1.35 0.49 0.00 3.49 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.44 0.00 42 I 7.58 3.39 1.41 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.24 0.70 0.00 0.00 43 G 8.59 3.77 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 44 K 8.02 4.28 0.00 1.72 1.73 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.39 7.81 45 S 8.72 4.50 0.00 3.58 3.54 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 46 V 8.67 3.64 2.19 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 0.95 0.00 0.00 1.01 0.00 0.00 47 T 7.86 4.44 4.68 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 0.00 0.00 0.00 1.10 0.00 0.00 48 N 7.85 5.02 0.00 2.76 2.76 0.00 0.00 7.11 7.26 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 49 P 0.00 4.32 0.00 2.12 2.13 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.33 0.00 50 D 8.12 4.58 0.00 2.75 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 51 G 8.04 3.87 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 0.00 0.00 0.00 52 S 8.96 4.38 0.00 3.90 3.95 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 53 G 8.75 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 54 I 8.84 4.25 1.73 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.98 1.02 0.00 0.00 55 K 8.80 4.68 0.00 1.71 1.72 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.39 7.81 56 G 9.05 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 57 K 8.65 3.77 0.00 1.78 1.89 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.47 1.59 7.81 58 E 8.11 3.91 0.00 2.05 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 2.41 2.42 0.00 59 A 7.97 4.12 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 60 V 7.98 3.85 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 0.76 0.00 0.00 0.84 0.00 0.00 61 G 8.44 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 62 A 8.42 4.21 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 63 F 8.58 4.14 0.00 3.52 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 64 F 9.21 3.91 0.00 3.63 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.11 4.57 0.00 2.81 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 66 T 7.63 3.98 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 0.86 0.00 0.00 67 H 7.67 4.78 0.00 2.54 3.13 0.00 5.64 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 6.93 3.70 0.60 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.21 0.07 0.00 0.00 69 A 7.60 4.08 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 70 A 7.86 4.25 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.13 4.52 0.00 2.69 2.52 0.00 0.00 7.04 7.56 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 72 R 8.87 4.29 0.00 1.63 1.77 0.00 3.25 0.00 0.00 3.11 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 73 L 7.70 4.55 0.00 1.46 1.37 0.73 0.82 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 74 T 8.94 4.62 4.14 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 1.17 0.00 0.00 75 V 8.34 4.09 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 -0.08 0.00 0.00 0.84 0.00 0.00 76 T 8.31 4.23 4.09 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 1.10 0.00 0.00 77 C 8.17 4.16 0.00 1.97 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 78 E 8.77 4.17 0.00 2.01 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 2.35 2.26 0.00 79 E 7.83 4.78 0.00 2.06 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 1.62 2.04 0.00 80 T 8.41 5.22 4.26 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 1.26 0.00 0.00 81 F 9.26 4.66 0.00 3.03 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 82 P 0.00 4.77 0.00 1.96 2.00 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 83 S 7.88 4.79 0.00 3.98 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 84 S 8.79 4.62 0.00 3.88 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 85 S 7.96 4.78 0.00 3.82 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.37 0.00 2.26 2.30 0.00 3.74 0.00 0.00 3.78 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 87 D 7.88 4.95 0.00 2.60 2.89 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 88 E 7.81 5.55 0.00 1.90 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 2.34 2.17 0.00 89 I 8.58 5.01 1.92 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 1.21 1.63 1.04 0.00 0.00 90 A 9.05 5.59 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 91 H 9.67 5.64 0.00 3.36 3.45 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 8.80 4.95 2.01 0.00 0.00 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 1.36 0.94 1.05 0.00 0.00 93 L 9.17 5.07 0.00 1.07 1.00 0.35 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.43 4.61 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 0.94 0.00 0.00 0.87 0.00 0.00 95 L 8.97 4.72 0.00 1.48 1.27 0.44 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 96 H 8.96 5.04 0.00 3.09 3.10 0.00 5.72 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 97 S 8.58 4.91 0.00 3.54 3.35 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 98 E 8.53 4.91 0.00 1.84 1.70 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 2.11 2.00 0.00 99 F 9.10 4.03 0.00 2.91 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 *103 F 7.94 4.70 0.00 3.21 3.16 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 0.00 104 T 8.22 5.20 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 1.19 0.00 0.00 105 S 7.95 4.86 0.00 3.83 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 0.00 106 E 8.69 5.14 0.00 1.85 1.59 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 2.08 2.29 0.00 107 V 8.58 4.56 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 -0.26 0.00 0.00 0.90 0.00 0.00 108 R 8.64 5.00 0.00 1.80 1.85 0.00 3.23 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 109 G 9.16 4.32 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 0.00 110 V 8.33 4.82 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 0.94 0.00 0.00 0.87 0.00 0.00 111 F 9.71 5.58 0.00 3.26 3.11 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 0.00 112 T 9.32 5.49 4.39 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 1.40 0.00 0.00 113 Y 9.13 5.24 0.00 2.93 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 0.00 114 R 9.29 5.17 0.00 1.87 1.75 0.00 3.05 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 115 V 8.29 4.98 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 0.79 0.00 0.00 0.99 0.00 0.00 116 N 9.03 4.68 0.00 2.89 2.99 0.00 0.00 6.67 6.35 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 0.00 117 K 8.51 4.11 0.00 1.88 1.98 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.43 7.81 118 A 8.00 3.96 1.35 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 0.00 119 G 7.98 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 0.00 0.00 0.00 120 L 7.72 4.42 0.00 1.88 1.64 0.90 0.82 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 0.00 121 I 8.55 4.50 1.81 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 1.39 0.62 0.94 0.00 0.00 122 T 9.29 4.15 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 0.00 123 N 7.93 5.46 0.00 2.60 2.64 0.00 0.00 6.52 7.66 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 0.00 124 M 8.76 4.85 0.00 1.96 1.76 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 1.55 0.00 125 R 9.06 4.95 0.00 1.71 1.54 0.00 3.10 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.50 0.00 126 G 8.90 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 0.00 127 Y 9.15 4.77 0.00 2.68 2.89 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 0.00 128 W 7.40 5.44 0.00 3.36 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 0.00 129 N 8.77 4.91 0.00 2.88 2.81 0.00 0.00 5.92 6.67 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 0.00 130 L 8.66 4.30 0.00 1.89 2.04 1.03 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 131 D 7.81 4.50 0.00 3.04 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 0.00 132 M 8.20 4.30 0.00 2.07 2.41 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.52 0.00 133 M 7.48 4.49 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.28 0.00 134 T 8.31 4.42 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 1.11 0.00 0.00 135 F 8.22 5.06 0.00 3.01 2.92 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 * Residues marked with a * may have inaccurate shift predictions.