NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Y 4.8834 8.1444 119.0123 57.1116 39.3783 173.4956 5 F 4.6170 8.4625 121.0031 56.1654 42.1397 172.9175 6 F 4.0343 9.0801 132.8257 60.3794 40.3768 173.8464 7 P 3.8155 0.0000 0.0000 62.4068 31.7324 175.4780 8 K 4.6993 8.2542 121.1509 54.4863 34.4962 175.4219 9 L 3.7114 8.6261 127.3987 55.1032 41.9008 176.2147 10 T 4.4956 8.7366 116.1070 61.9299 70.9628 174.3606 11 A 4.7199 7.2992 122.8191 50.3502 22.8320 175.3423 12 V 4.9168 8.0780 119.7418 59.8138 34.6310 174.6608 13 E 4.7010 9.1311 121.2991 54.3060 33.0883 174.3889 14 A 4.3934 8.5571 124.8411 51.8414 18.9926 177.3310 15 L 4.5682 8.6752 126.4577 54.0031 42.8730 176.1434 16 A 4.1262 8.5406 125.0129 52.1465 19.0263 175.3041 17 P 3.3935 0.0000 0.0000 63.3184 32.2289 176.5023 18 Y 3.8509 8.2558 119.1702 56.4347 38.2352 174.5424 19 R 5.2699 8.5236 121.6246 54.7748 33.2798 175.7269 20 L 5.3613 9.2993 125.1790 52.9893 45.8495 175.2077 21 R 5.0535 9.1659 122.9148 54.9012 32.2281 174.6578 22 T 4.9537 9.3961 117.1558 60.1443 71.8646 173.1783 23 T 5.0972 8.5146 121.0678 61.6278 71.9095 173.1472 24 W 5.3838 9.1855 124.9911 54.4670 32.9389 176.8634 25 S 4.0954 9.2537 117.0014 61.5808 62.3716 175.8844 26 T 3.9848 7.9205 109.3763 62.6592 68.5862 175.1734 27 G 4.0269 8.3281 111.2823 45.1763 0.0000 173.7435 28 E 4.2694 7.9790 120.3298 56.3473 30.8619 176.1971 29 V 4.9108 8.4891 122.7771 61.3038 33.9798 174.4653 30 L 4.9500 9.6977 128.2839 53.0699 44.9862 175.8976 31 E 5.2963 8.8157 122.3823 55.4981 31.8575 175.8242 32 V 4.6968 8.4282 119.7955 60.9333 35.2646 171.9034 33 D 5.2426 9.9553 125.2117 53.0299 42.2568 176.3687 34 V 4.3078 9.0215 118.5308 61.1881 32.7023 177.8735 35 G 3.4961 9.2891 110.1227 48.0100 0.0000 175.8864 36 D 4.2703 7.9286 121.2681 57.1220 40.9034 178.8026 37 I 3.5757 7.3421 118.3979 63.9041 37.7862 177.7148 38 L 3.9780 7.6675 119.1358 57.7557 41.4430 179.3575 39 R 3.9797 7.6889 117.0326 58.2756 30.0493 178.7867 40 K 4.1661 7.6982 119.1511 58.2207 32.6075 176.9631 41 I 4.1821 7.4011 122.6455 59.5322 37.6141 174.7573 42 P 4.2076 0.0000 0.0000 65.8919 30.9678 178.3346 43 D 4.3670 8.0926 115.7878 56.7610 41.0097 177.6818 44 L 4.3465 7.8028 117.7219 54.5631 41.7984 178.0987 45 A 3.9145 7.8938 123.2806 54.8486 18.4558 178.2168 46 P 4.2412 0.0000 0.0000 65.3888 31.5824 178.3716 47 I 4.0106 7.5972 117.8561 63.2313 37.2080 177.3461 48 L 3.8767 7.6810 120.0035 57.0239 41.7251 177.3970 49 D 4.4211 7.7757 118.0306 53.9030 41.7332 174.9130 50 P 4.3373 0.0000 0.0000 65.7479 31.0792 178.1116 51 E 4.0432 8.3428 117.2424 58.9769 29.8862 178.2081 52 A 4.2215 8.0575 120.5342 54.7624 18.5544 179.0839 53 F 4.2204 8.6693 119.2354 61.6822 39.3536 177.1729 54 A 4.1296 7.8261 118.6669 54.9001 18.1421 178.8637 55 R 4.1516 7.6759 114.5599 55.7895 30.5504 177.0654 56 V 2.9999 6.6702 119.6911 62.2121 31.8478 175.1039 57 H 4.6951 7.9937 117.6779 54.2225 32.5568 172.2829 58 I 4.2582 8.0282 119.6701 60.8675 38.0067 176.1077 59 A 4.3673 8.9668 129.7202 51.1922 19.5136 176.9777 60 E 4.0515 8.9000 120.2789 56.3279 30.2019 177.2212 61 W 4.0961 9.0516 131.8569 59.4416 31.0827 176.4070 62 E 4.6040 8.1219 114.5626 54.9285 31.0519 176.2921 63 G 3.8830 7.7109 105.4068 46.3327 0.0000 173.6347 64 S 4.7246 7.6534 113.6841 56.3176 66.3735 172.9123 65 V 3.6163 8.4164 121.2627 62.3905 32.3543 174.4542 66 E 4.8341 8.5072 128.4036 54.6349 32.8140 174.4178 67 W 4.1527 9.7748 124.2304 57.8644 31.5147 176.5863 68 F 4.5794 8.7242 114.0472 58.6733 39.8320 176.8322 69 D 4.4872 9.1529 124.7610 54.1238 42.2550 175.0795 70 T 3.6364 8.7444 120.7498 61.3767 68.4288 173.4753 71 E 4.0901 8.2318 122.7972 59.6344 30.3186 178.1409 72 F 5.3111 8.1303 117.9949 54.8397 41.7106 175.0216 73 G 3.9659 8.8185 112.9830 44.6806 0.0000 174.2534 74 R 4.1333 8.6472 121.1113 59.0273 29.4181 179.0051 75 D 3.3700 7.5003 119.5699 55.7860 39.4225 178.1937 76 N 4.3955 7.4830 118.8141 55.1450 38.5222 177.2904 77 V 2.8876 6.9166 119.4915 65.9017 31.6004 177.3807 78 Y 3.6600 8.0485 119.0083 60.5544 38.5350 177.8173 79 A 4.0036 7.9439 121.6025 55.1524 18.4765 179.7125 80 W 4.3286 8.0110 117.1484 59.6737 29.2020 178.6556 81 A 4.0371 8.1230 120.8708 55.1019 17.7891 179.7896 82 K 3.7626 7.7600 116.8960 59.6873 32.1509 179.4589 83 E 4.0565 8.5245 119.1478 59.6439 29.1832 179.5518 84 Q 4.1093 8.5779 116.9281 58.1957 28.7611 177.4924 85 A 4.4857 7.5396 119.7690 51.5221 18.7811 177.8948 86 G 3.7979 7.7963 105.9635 46.4040 0.0000 173.7117 87 E 4.5353 7.9166 118.8096 54.4089 31.9359 175.6163 88 V 3.7398 7.9882 121.4521 62.3131 32.0135 175.6975 89 S 4.7621 8.2508 122.8137 57.0908 64.4534 174.1748 90 H 4.5130 9.0140 116.1112 58.7163 28.6936 176.6016 91 E 4.3680 7.4349 118.4864 56.7743 29.4246 178.5951 *93 F 4.9821 8.3414 122.6994 58.3818 41.1699 176.9960 94 G 3.9280 8.6946 108.5146 48.8206 0.0000 174.4254 95 D 4.5408 8.9274 120.6735 57.0683 41.2951 178.9358 96 W 4.4160 8.1048 124.1301 58.7522 30.6652 176.7090 *98 H 4.6927 8.3273 118.1663 55.7411 30.6721 175.3927 99 R 4.0949 8.1166 113.4611 58.0596 29.3761 176.7255 100 N 4.7083 7.3936 113.4606 52.0850 39.3862 174.1406 101 N 4.0412 7.3519 114.4943 54.1556 36.7093 174.1999 102 L 4.4138 7.2945 115.8318 53.3106 43.8636 178.0580 103 S 4.5764 8.2834 118.3160 57.1109 66.0096 175.2571 104 L 4.0623 8.3916 120.7474 58.3649 41.1980 180.0612 105 T 3.8810 7.7930 115.2314 66.9475 68.5678 176.8760 106 T 4.1169 8.0499 111.3213 64.2968 68.8775 176.6711 107 A 3.7629 8.3421 124.0957 54.9215 18.5561 179.2556 108 A 3.9972 8.0339 119.2769 55.5764 18.2266 179.8080 109 E 3.9390 8.1109 115.5139 59.3125 29.6059 178.8549 110 A 4.1143 8.0282 120.3284 55.0437 18.4045 179.0184 111 L 4.4345 7.8417 114.5032 54.1132 42.4192 177.1244 112 G 3.8477 8.1461 106.6098 46.5422 0.0000 172.9556 113 I 4.6931 7.5253 111.1102 58.0278 40.9393 174.6554 114 S 4.4073 8.2529 114.8981 57.6968 63.8388 174.5955 115 R 3.9957 8.4604 120.3832 59.5347 30.0843 179.6259 116 R 3.8102 7.3354 114.0737 57.0680 29.7091 177.9981 *118 V 4.2414 7.8927 117.7387 62.6353 33.4360 177.4155 119 S 4.2089 8.2051 113.8435 61.6405 62.1410 175.6626 120 Y 4.1288 8.0431 119.7671 61.3442 37.0191 178.3685 121 Y 4.1995 7.3975 117.3357 60.9994 37.7385 178.5087 122 R 4.4521 8.1941 116.1968 58.7210 30.0141 177.8827 123 T 4.3872 7.9802 108.4240 60.3668 68.9044 174.7857 124 A 3.7860 7.4101 122.1741 53.6746 16.6086 178.5714 125 H 3.6360 7.8980 121.2830 59.2316 30.0404 175.5336 126 K 4.4864 7.3904 119.1130 53.7761 34.9956 175.5796 127 I 3.8148 8.3096 119.3890 60.9277 38.0699 175.6193 128 I 3.4589 8.0482 124.0770 59.7751 37.2211 174.3734 129 P 4.3313 0.0000 0.0000 62.0745 32.2231 177.2527 130 R 3.9166 8.8334 121.5152 60.3601 29.7421 178.7750 131 T 3.8709 7.9109 114.5525 66.8889 68.4061 176.4474 132 I 3.6673 7.4759 121.3622 64.0031 37.0917 178.3534 133 W 4.2058 8.0295 128.8313 60.2610 30.5848 177.8529 134 L 3.8003 8.0428 118.8936 57.6120 40.9653 179.2581 135 A 3.9324 7.8760 120.5982 55.2855 18.2883 179.3244 136 C 3.4339 7.6608 115.1314 62.7607 27.9109 176.4879 137 L 3.8969 7.1737 120.3242 57.6771 40.9555 179.5852 138 G 3.7361 8.2954 104.7176 47.7754 0.0000 175.0884 139 W 4.2967 8.6481 130.8688 60.3645 30.5834 177.9677 140 E 3.9235 8.4693 117.2840 59.2562 29.0160 178.7236 141 A 4.2206 8.0991 119.3151 53.4923 18.5817 177.9279 142 T 4.3903 6.8842 105.5004 60.9805 69.3214 174.8145 143 R 3.6898 7.3865 120.9903 55.4998 30.5347 174.6123 144 P 4.2726 0.0000 0.0000 61.6611 32.3084 175.5098 145 E 3.8185 8.3769 117.5889 57.0730 28.6925 177.2022 146 T 4.3235 8.0092 119.3222 60.5751 69.1545 174.3128 147 K 4.1341 8.6274 121.2319 59.1642 32.0326 177.1418 148 T 4.7664 7.3268 105.4272 59.3665 72.0110 173.1445 149 L 4.1780 8.2454 121.8169 53.9079 42.2031 175.7166 150 P 4.5723 0.0000 0.0000 62.4219 32.2228 176.7525 151 R 4.1288 8.3955 118.2632 58.4810 30.3777 176.6752 152 T 4.7442 7.3545 105.4964 59.1384 72.0270 173.3639 153 L 4.0851 8.2647 121.7814 54.2945 42.2471 175.8769 154 P 4.4006 0.0000 0.0000 62.9167 31.2617 176.4237 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 4 Y 8.14 4.88 0.00 3.18 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 5 F 8.46 4.62 0.00 2.96 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 6 F 9.08 4.03 0.00 2.53 2.62 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 7 P 0.00 3.82 0.00 1.34 1.59 0.00 2.20 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.61 0.00 8 K 8.25 4.70 0.00 1.63 1.65 0.00 1.54 0.00 0.00 1.48 0.00 0.00 2.57 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.14 7.81 9 L 8.63 3.71 0.00 1.12 1.33 -0.22 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.74 4.50 4.15 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 1.20 0.00 0.00 11 A 7.30 4.72 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 12 V 8.08 4.92 1.85 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 0.54 0.00 0.00 0.78 0.00 0.00 13 E 9.13 4.70 0.00 1.96 1.97 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 2.36 2.23 0.00 14 A 8.56 4.39 1.02 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 15 L 8.68 4.57 0.00 1.84 1.63 1.03 1.16 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 16 A 8.54 4.13 1.24 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 17 P 0.00 3.39 0.00 1.14 0.49 0.00 3.44 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 18 Y 8.26 3.85 0.00 2.89 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 19 R 8.52 5.27 0.00 1.98 1.96 0.00 3.09 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 20 L 9.30 5.36 0.00 1.78 1.62 1.25 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 21 R 9.17 5.05 0.00 1.86 1.79 0.00 3.06 0.00 0.00 3.40 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 22 T 9.40 4.95 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 1.29 0.00 0.00 23 T 8.51 5.10 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 1.20 0.00 0.00 24 W 9.19 5.38 0.00 3.33 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 25 S 9.25 4.10 0.00 3.85 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 26 T 7.92 3.98 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 1.25 0.00 0.00 27 G 8.33 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.98 4.27 0.00 2.09 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 2.37 2.34 0.00 29 V 8.49 4.91 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 0.87 0.00 0.00 0.98 0.00 0.00 30 L 9.70 4.95 0.00 1.78 1.54 0.36 0.92 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 31 E 8.82 5.30 0.00 1.91 1.94 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 2.31 2.34 0.00 32 V 8.43 4.70 2.26 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 1.02 0.00 0.00 1.24 0.00 0.00 33 D 9.96 5.24 0.00 2.73 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.02 4.31 2.36 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 1.17 0.00 0.00 1.58 0.00 0.00 35 G 9.29 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 36 D 7.93 4.27 0.00 2.51 2.58 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 37 I 7.34 3.58 1.28 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.20 0.61 0.00 0.00 38 L 7.67 3.98 0.00 1.42 1.40 0.65 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.69 3.98 0.00 1.81 1.89 0.00 3.09 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 40 K 7.70 4.17 0.00 1.73 1.96 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.49 7.81 41 I 7.40 4.18 1.91 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 1.32 0.66 0.94 0.00 0.00 42 P 0.00 4.21 0.00 2.13 2.08 0.00 3.60 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 43 D 8.09 4.37 0.00 2.64 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 44 L 7.80 4.35 0.00 1.75 1.56 1.14 0.50 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 A 7.89 3.91 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 46 P 0.00 4.24 0.00 1.98 2.03 0.00 3.53 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 1.88 2.01 0.00 47 I 7.60 4.01 1.65 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 1.26 0.58 -0.19 0.00 0.00 48 L 7.68 3.88 0.00 1.70 1.68 0.77 0.12 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 49 D 7.78 4.42 0.00 2.97 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 50 P 0.00 4.34 0.00 2.23 2.10 0.00 3.70 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 51 E 8.34 4.04 0.00 2.05 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 0.00 2.38 2.38 0.00 52 A 8.06 4.22 1.49 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 0.00 0.00 0.00 53 F 8.67 4.22 0.00 3.48 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 54 A 7.83 4.13 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 55 R 7.68 4.15 0.00 2.22 1.95 0.00 3.06 0.00 0.00 3.18 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 56 V 6.67 3.00 1.53 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 0.36 0.00 0.00 -0.26 0.00 0.00 57 H 7.99 4.70 0.00 3.04 3.24 0.00 5.26 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 58 I 8.03 4.26 1.77 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.35 0.82 0.00 0.00 59 A 8.97 4.37 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 60 E 8.90 4.05 0.00 2.13 2.07 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 2.59 2.82 0.00 61 W 9.05 4.10 0.00 3.37 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 62 E 8.12 4.60 0.00 2.02 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 2.41 2.37 0.00 63 G 7.71 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 0.00 0.00 0.00 64 S 7.65 4.72 0.00 4.17 4.03 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 0.00 0.00 0.00 65 V 8.42 3.62 2.22 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 0.54 0.00 0.00 0.89 0.00 0.00 66 E 8.51 4.83 0.00 1.89 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 2.01 2.49 0.00 67 W 9.77 4.15 0.00 3.33 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 68 F 8.72 4.58 0.00 3.24 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 69 D 9.15 4.49 0.00 2.66 2.62 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 70 T 8.74 3.64 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 1.35 0.00 0.00 71 E 8.23 4.09 0.00 1.87 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 2.28 2.42 0.00 72 F 8.13 5.31 0.00 3.25 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 73 G 8.82 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 74 R 8.65 4.13 0.00 2.34 2.47 0.00 3.31 0.00 0.00 3.63 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 75 D 7.50 3.37 0.00 2.24 1.85 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 76 N 7.48 4.40 0.00 2.17 2.07 0.00 0.00 7.24 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 77 V 6.92 2.89 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 1.26 0.00 0.00 0.93 0.00 0.00 78 Y 8.05 3.66 0.00 2.64 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 79 A 7.94 4.00 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 80 W 8.01 4.33 0.00 3.54 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 81 A 8.12 4.04 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 82 K 7.76 3.76 0.00 1.85 1.75 0.00 1.54 0.00 0.00 1.40 0.00 0.00 2.28 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.02 1.42 7.81 83 E 8.52 4.06 0.00 2.15 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 2.28 2.43 0.00 84 Q 8.58 4.11 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.16 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 85 A 7.54 4.49 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 86 G 7.80 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 87 E 7.92 4.54 0.00 1.91 1.80 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 2.22 2.19 0.00 88 V 7.99 3.74 1.85 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 -0.02 0.00 0.00 0.58 0.00 0.00 89 S 8.25 4.76 0.00 3.87 3.86 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 90 H 9.01 4.51 0.00 3.80 3.72 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.43 4.37 0.00 2.05 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 2.25 1.86 0.00 *93 F 8.34 4.98 0.00 3.11 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 94 G 8.69 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 95 D 8.93 4.54 0.00 2.85 2.88 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 96 W 8.10 4.42 0.00 3.80 3.48 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 0.00 *98 H 8.33 4.69 0.00 3.31 3.35 0.00 5.92 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.12 4.09 0.00 2.00 2.11 0.00 3.17 0.00 0.00 3.45 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.62 0.00 100 N 7.39 4.71 0.00 2.39 2.78 0.00 0.00 7.12 7.88 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 0.00 101 N 7.35 4.04 0.00 2.79 2.78 0.00 0.00 6.84 7.13 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 0.00 102 L 7.29 4.41 0.00 1.23 1.27 -0.68 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 103 S 8.28 4.58 0.00 4.06 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 0.00 104 L 8.39 4.06 0.00 1.74 1.81 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 105 T 7.79 3.88 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 1.21 0.00 0.00 106 T 8.05 4.12 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 1.20 0.00 0.00 107 A 8.34 3.76 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 0.00 108 A 8.03 4.00 1.46 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 0.00 109 E 8.11 3.94 0.00 1.98 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 2.37 2.41 0.00 110 A 8.03 4.11 0.44 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 0.00 111 L 7.84 4.43 0.00 1.71 1.75 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.15 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 0.00 0.00 0.00 0.00 113 I 7.53 4.69 1.91 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 1.56 0.85 0.98 0.00 0.00 114 S 8.25 4.41 0.00 3.92 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 0.00 115 R 8.46 4.00 0.00 1.85 1.99 0.00 3.11 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 116 R 7.34 3.81 0.00 1.70 1.52 0.00 2.67 0.00 0.00 2.63 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.50 0.00 *118 V 7.89 4.24 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 1.29 0.00 0.00 1.22 0.00 0.00 119 S 8.21 4.21 0.00 3.93 3.90 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 0.00 120 Y 8.04 4.13 0.00 2.45 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 0.00 121 Y 7.40 4.20 0.00 2.07 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 0.00 0.00 0.00 0.00 122 R 8.19 4.45 0.00 2.42 2.66 0.00 3.23 0.00 0.00 3.49 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.79 0.00 123 T 7.98 4.39 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 0.77 0.00 0.00 124 A 7.41 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 H 7.90 3.64 0.00 2.42 2.32 0.00 5.72 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 K 7.39 4.49 0.00 1.49 1.45 0.00 1.80 0.00 0.00 1.55 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.40 7.81 127 I 8.31 3.81 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.72 0.94 0.00 0.00 128 I 8.05 3.46 1.81 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.40 0.57 0.00 0.00 129 P 0.00 4.33 0.00 2.09 1.94 0.00 3.06 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 2.10 2.08 0.00 130 R 8.83 3.92 0.00 1.88 1.96 0.00 3.21 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 131 T 7.91 3.87 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 1.20 0.00 0.00 132 I 7.48 3.67 1.63 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.40 0.64 0.00 0.00 133 W 8.03 4.21 0.00 3.29 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 0.00 134 L 8.04 3.80 0.00 1.88 1.65 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 135 A 7.88 3.93 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 0.00 136 C 7.66 3.43 0.00 1.79 1.18 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 0.00 137 L 7.17 3.90 0.00 1.54 1.54 0.64 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.30 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 0.00 0.00 0.00 139 W 8.65 4.30 0.00 3.61 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 0.00 140 E 8.47 3.92 0.00 2.29 2.07 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 2.58 2.92 0.00 141 A 8.10 4.22 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 0.00 142 T 6.88 4.39 4.15 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 1.21 0.00 0.00 143 R 7.39 3.69 0.00 1.55 1.60 0.00 2.21 0.00 0.00 2.43 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.92 0.00 144 P 0.00 4.27 0.00 2.11 1.99 0.00 3.69 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 145 E 8.38 3.82 0.00 1.97 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 2.43 2.46 0.00 146 T 8.01 4.32 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 1.23 0.00 0.00 147 K 8.63 4.13 0.00 1.79 1.86 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.43 7.81 148 T 7.33 4.77 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 1.22 0.00 0.00 149 L 8.25 4.18 0.00 1.68 1.66 0.97 1.08 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 0.00 150 P 0.00 4.57 0.00 2.36 2.02 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 151 R 8.40 4.13 0.00 1.82 2.03 0.00 3.15 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 152 T 7.35 4.74 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 0.00 153 L 8.26 4.09 0.00 1.64 1.63 0.91 1.01 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 0.00 154 P 0.00 4.40 0.00 2.00 1.93 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 * Residues marked with a * may have inaccurate shift predictions.