NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1654 8.3044 118.1837 55.5746 34.1063 175.0162 2 V 3.9653 6.9281 121.8564 61.5197 31.3999 175.9615 3 L 4.1091 7.9385 115.5443 54.1394 43.6726 171.9933 4 L 4.7492 7.3119 126.0916 54.8618 43.8614 171.8876 5 T 5.2575 8.2009 124.3298 62.1220 72.3315 173.1989 6 M 5.4157 9.2881 125.2294 53.6527 36.5838 174.2847 7 I 4.8182 9.0416 124.1513 59.4497 39.7245 174.5428 8 A 4.5409 8.2416 128.6066 49.3209 22.8249 174.9354 9 R 4.1156 8.1831 122.3109 56.2202 30.5700 177.6223 10 V 3.3977 8.8112 127.3944 65.8407 31.2650 176.4504 11 A 3.6041 7.5010 117.9273 56.6055 18.2739 177.4038 12 D 4.3723 8.0471 119.8670 53.3380 40.7305 177.9417 13 G 3.6537 7.7716 107.4591 45.5505 0.0000 173.0025 14 L 3.9482 7.7312 122.1291 54.0060 43.2429 174.4972 15 P 4.1102 0.0000 0.0000 62.8504 32.2745 175.7037 16 L 4.4736 8.6379 122.0033 55.7519 44.4742 176.3658 17 A 5.2090 7.4294 118.5725 50.8715 22.5222 174.5924 18 A 5.7889 8.8224 122.5175 50.3404 23.0638 175.1640 19 S 4.7556 8.5745 112.4162 57.2717 66.1303 172.6624 20 M 4.9524 8.5341 124.4707 54.4617 36.1810 174.6754 21 Q 4.3138 8.4215 121.3382 55.0080 31.5627 173.7697 22 E 4.2326 8.1194 124.6045 58.5164 30.5995 177.7900 23 D 4.5026 7.5229 122.7146 54.3873 40.4386 176.1823 *29 D 4.4989 7.7867 118.2454 53.9069 43.5699 175.5976 30 L 3.9592 8.2975 120.8901 57.9132 41.7623 178.5406 31 Q 4.0273 8.1477 117.7021 59.4875 28.1151 178.6200 32 Q 3.8169 7.9667 121.4587 58.7224 27.7626 176.8271 33 Y 4.5075 7.5821 115.0908 59.1044 37.9360 177.0087 34 Q 4.5322 7.9953 122.2047 58.1572 29.4720 177.5610 35 S 4.0696 7.6413 114.9692 61.8338 63.0704 176.3176 36 Q 3.5700 7.7411 121.0525 58.3246 28.3198 179.5423 37 A 3.6305 7.4546 120.4954 55.1104 18.5288 179.9515 38 K 4.1784 8.0055 116.9061 59.4928 32.0340 179.5454 39 Q 3.8907 8.6405 119.5255 58.8369 28.6174 177.8490 40 L 3.6298 7.8598 120.9694 58.4930 41.7473 178.9737 41 F 4.3707 7.6483 117.0129 60.9370 39.0811 177.7326 42 R 4.0413 7.8255 116.3747 59.4670 29.9684 178.3888 43 K 4.0615 7.8428 116.9856 58.3791 32.4958 178.0821 44 L 4.1006 7.3515 118.3649 55.2462 42.4184 176.6844 45 N 4.7730 8.7192 118.9323 52.2981 39.2470 174.9190 46 E 4.3753 8.8626 117.5598 57.6580 29.8611 176.7007 47 Q 4.5839 8.5694 117.1165 55.7535 30.3075 176.0112 48 S 4.4142 7.6944 114.6253 57.2048 63.6342 172.3734 49 P 4.3530 0.0000 0.0000 62.9808 31.5427 177.3287 50 T 4.3141 8.6161 113.4137 63.4560 69.5314 173.9533 51 R 4.9277 7.8969 121.3166 55.7252 35.2733 173.5466 52 C 4.9149 8.6388 123.0864 58.6565 36.1164 172.4822 53 T 5.1089 8.8254 118.5259 61.8360 72.1096 173.1105 54 L 5.2604 8.9176 125.7786 53.0225 44.9289 175.3436 55 E 4.7754 9.2603 122.0703 54.2380 31.4743 176.8689 56 A 4.6700 8.6760 131.5627 51.6292 19.7311 177.8235 57 G 3.9742 8.3380 117.1036 46.7392 0.0000 177.6420 58 A 4.0173 9.1519 131.9796 53.9088 18.9270 177.8079 59 M 4.8329 7.2553 114.7478 54.3750 35.5452 175.5947 60 T 4.6868 8.0389 115.2844 63.1240 72.8373 174.1146 61 F 4.7684 9.1669 126.3078 57.8860 41.0152 175.1769 62 H 5.1949 9.3838 118.8254 55.0434 32.5421 172.2528 63 Y 5.7185 8.8383 121.7705 55.2336 41.8641 174.4027 64 I 5.2235 9.2514 113.3409 59.5234 41.5944 173.8402 65 I 5.2342 8.4029 123.8032 59.9366 40.2457 175.3646 66 E 4.5553 9.1172 124.7721 56.4213 33.6694 175.2760 67 Q 3.2915 9.6037 125.1501 57.2830 27.6617 173.5937 68 G 3.9056 8.3240 100.4075 45.8160 0.0000 173.1322 69 V 4.5242 7.5267 119.6457 60.7274 34.1702 173.8796 70 C 4.8646 9.1936 129.9319 58.5137 33.4196 171.6658 71 Y 4.7434 9.1664 124.3679 56.3722 39.6880 174.3469 72 L 5.4349 9.3042 127.5573 53.3056 45.2540 175.5028 73 V 5.1142 8.7827 123.1984 60.1285 35.1469 173.5995 74 L 4.7564 8.2340 124.3295 53.6159 45.2836 174.9027 75 C 4.5046 7.4451 118.0583 57.5729 33.7174 172.4271 76 E 4.4004 8.3777 117.9655 55.9620 29.6526 178.2629 77 A 4.5818 8.8767 126.0460 54.7149 18.6259 179.1242 78 A 4.1042 8.0612 117.2537 54.9128 18.6829 178.0203 79 F 4.0445 8.4082 117.9865 57.9286 39.8961 172.4110 80 P 4.0164 0.0000 0.0000 62.4046 31.1486 176.4800 81 K 3.9935 8.7082 125.0490 59.4208 32.1077 178.2840 82 K 3.9549 7.9447 118.6431 60.0004 32.8096 179.0189 83 L 4.2972 8.2986 120.2412 57.0024 41.3697 179.1363 84 A 4.2050 7.9167 120.6040 55.1904 18.3095 179.4384 85 F 4.1563 7.8377 115.7252 60.3276 39.0420 177.9958 86 A 4.1791 7.9130 119.2663 54.8451 17.9792 179.1812 87 Y 3.4300 7.7335 118.1374 60.5850 38.8518 177.9581 88 L 3.5624 7.4074 119.7498 57.7865 41.6817 179.0718 89 E 3.9720 8.2166 118.4699 59.8790 29.1982 179.4017 90 D 4.5005 8.0190 118.2792 57.1616 40.8401 178.8114 91 L 4.4162 7.6726 119.5946 58.9967 41.6765 178.1865 92 H 3.0018 8.4977 116.1525 59.2836 29.3623 177.0436 93 S 3.8700 8.0333 114.5952 61.4164 63.2967 176.6665 94 E 3.7346 7.9714 123.3000 58.5999 29.4169 178.1184 95 F 3.9277 8.7265 121.1146 61.6521 39.1541 176.7316 96 D 4.2849 8.5834 117.6478 57.1572 40.7509 177.6836 97 E 3.8951 7.7088 119.0449 58.1338 29.6235 177.8586 98 Q 4.2425 7.3906 116.6772 57.2865 30.1056 176.2207 99 H 4.6551 7.4930 114.2001 54.9178 29.8243 175.8051 100 G 3.6273 7.1511 109.8042 47.5430 0.0000 174.9266 101 K 4.2789 7.7563 116.0363 56.2948 32.6795 176.7081 102 K 4.4585 7.9194 119.9541 56.1933 32.6688 177.8054 103 V 3.7646 8.0393 118.7903 65.8769 31.2013 175.3113 104 P 4.0462 0.0000 0.0000 63.6508 31.4997 176.3000 105 T 4.3784 7.7605 108.8326 62.4748 70.3574 175.2495 106 V 3.9225 6.9751 114.0906 61.4982 32.0490 175.7529 107 S 4.6020 8.0748 111.3754 58.2778 65.7067 174.7206 108 R 4.2534 7.7306 119.7178 54.4980 30.7721 174.4888 109 P 4.2115 0.0000 0.0000 63.7173 32.1380 175.7025 110 Y 4.2431 7.7197 114.7900 58.3793 35.6885 174.4329 111 S 4.0384 7.8934 116.5811 60.5536 63.7506 175.1245 112 F 5.0324 7.7236 118.6783 55.9833 39.1262 175.7893 113 I 4.0416 7.6851 116.4462 63.6811 38.4453 178.5108 114 E 4.2285 8.3446 118.4036 57.8834 29.4806 177.0222 115 F 4.6041 8.2991 121.1456 58.9719 40.0650 176.4109 116 D 4.5025 9.0188 120.3953 59.5180 41.1210 177.5697 117 T 3.5925 8.4194 113.3066 67.0951 67.9768 175.2038 118 F 3.9047 8.2840 122.9408 62.1021 39.5896 177.8298 119 I 3.7089 7.5873 119.0317 64.3196 35.4913 178.1279 120 Q 4.0632 8.4071 118.9505 57.6024 28.5311 177.8560 121 K 4.0441 7.8277 117.9989 58.5645 33.3789 178.3022 122 T 4.1314 7.1508 116.9267 65.5641 69.1362 176.4580 123 K 3.4088 8.0737 121.7014 59.7658 31.6447 178.8192 124 K 3.9923 7.5262 118.1821 59.2015 31.7430 178.9600 125 L 4.0601 7.7642 117.7695 56.6357 41.5257 177.7117 126 Y 4.5313 7.6974 114.8966 57.5975 40.0494 175.8114 127 I 4.3295 7.0690 120.5745 60.1635 37.6679 176.7092 128 D 4.2961 7.6985 119.4677 53.5919 41.8754 175.4433 129 S 4.2920 8.8185 121.9814 59.8963 62.9360 175.0692 130 R 4.4690 7.5277 117.8869 56.0786 29.7136 175.9304 *148 I 4.0315 7.5715 117.3240 62.9211 38.6213 174.8256 149 M 4.8208 7.9055 122.4096 54.4730 36.1706 173.4439 150 V 5.1424 8.2217 122.2037 61.2576 34.4617 174.3289 151 A 4.6521 8.5125 126.8124 50.6941 23.4191 175.2344 152 N 4.8213 8.8063 118.5439 53.0295 39.1035 175.3738 153 I 3.3767 8.2169 127.0542 64.4686 38.2422 177.3453 154 E 3.9611 8.4115 118.4238 60.2978 29.1656 178.2428 155 E 3.9951 8.9429 119.7109 58.0710 29.7304 178.2376 156 V 3.6354 7.6737 119.9350 66.0765 31.7902 176.1157 157 L 4.1380 7.6182 121.5233 54.8841 41.5446 176.4379 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 1 M 8.30 4.17 0.00 2.47 2.38 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 2 V 6.93 3.97 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 0.74 0.00 0.00 0.82 0.00 0.00 3 L 7.94 4.11 0.00 1.67 1.44 0.87 0.45 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 4 L 7.31 4.75 0.00 1.80 1.65 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.20 5.26 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 6 M 9.29 5.42 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.69 0.00 7 I 9.04 4.82 1.48 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 1.35 0.76 -0.13 0.00 0.00 8 A 8.24 4.54 -0.41 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 9 R 8.18 4.12 0.00 1.82 1.68 0.00 3.09 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 10 V 8.81 3.40 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 0.81 0.00 0.00 0.97 0.00 0.00 11 A 7.50 3.60 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 12 D 8.05 4.37 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 13 G 7.77 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 0.00 0.00 0.00 14 L 7.73 3.95 0.00 2.00 1.43 0.83 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.11 0.00 0.90 1.08 0.00 3.38 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 2.00 1.92 0.00 16 L 8.64 4.47 0.00 1.43 1.69 0.76 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 17 A 7.43 5.21 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 18 A 8.82 5.79 1.48 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 0.00 0.00 19 S 8.57 4.76 0.00 3.95 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 20 M 8.53 4.95 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.62 0.00 21 Q 8.42 4.31 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.03 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 22 E 8.12 4.23 0.00 1.95 1.86 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 2.27 2.32 0.00 23 D 7.52 4.50 0.00 2.66 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 *29 D 7.79 4.50 0.00 2.94 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 30 L 8.30 3.96 0.00 1.79 1.70 0.96 0.52 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 31 Q 8.15 4.03 0.00 2.30 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 32 Q 7.97 3.82 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.05 0.00 0.00 0.00 0.00 0.00 1.97 2.26 0.00 33 Y 7.58 4.51 0.00 3.22 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 34 Q 8.00 4.53 0.00 2.49 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 35 S 7.64 4.07 0.00 4.18 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 36 Q 7.74 3.57 0.00 2.25 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.57 0.00 37 A 7.45 3.63 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 38 K 8.01 4.18 0.00 2.01 1.95 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.64 1.84 7.81 39 Q 8.64 3.89 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.68 0.00 0.00 0.00 0.00 0.00 2.51 2.44 0.00 40 L 7.86 3.63 0.00 1.40 1.35 0.65 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.65 4.37 0.00 3.17 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 42 R 7.83 4.04 0.00 1.83 2.14 0.00 3.26 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 43 K 7.84 4.06 0.00 1.85 1.81 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.64 1.56 7.81 44 L 7.35 4.10 0.00 1.58 1.55 0.43 0.60 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 45 N 8.72 4.77 0.00 2.88 2.89 0.00 0.00 6.61 7.17 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 46 E 8.86 4.38 0.00 2.11 2.10 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 2.27 2.27 0.00 47 Q 8.57 4.58 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 48 S 7.69 4.41 0.00 4.02 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 49 P 0.00 4.35 0.00 2.24 2.02 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 50 T 8.62 4.31 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 51 R 7.90 4.93 0.00 1.55 1.65 0.00 3.18 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 52 C 8.64 4.91 0.00 2.62 1.61 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 53 T 8.83 5.11 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 54 L 8.92 5.26 0.00 1.76 1.61 0.91 0.64 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 55 E 9.26 4.78 0.00 1.94 1.92 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 2.29 2.28 0.00 56 A 8.68 4.67 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.34 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 58 A 9.15 4.02 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 59 M 7.26 4.83 0.00 1.65 2.02 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 2.41 0.00 60 T 8.04 4.69 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 61 F 9.17 4.77 0.00 3.09 3.03 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 62 H 9.38 5.19 0.00 2.85 2.52 0.00 5.56 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 8.84 5.72 0.00 3.26 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 64 I 9.25 5.22 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 1.48 1.55 1.18 0.00 0.00 65 I 8.40 5.23 2.01 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.09 0.96 0.00 0.00 66 E 9.12 4.56 0.00 1.99 1.73 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 2.30 2.24 0.00 67 Q 9.60 3.29 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 68 G 8.32 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 69 V 7.53 4.52 2.16 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 0.36 0.00 0.00 0.99 0.00 0.00 70 C 9.19 4.86 0.00 2.98 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 71 Y 9.17 4.74 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 72 L 9.30 5.43 0.00 1.68 1.76 1.06 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.78 5.11 2.12 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 0.70 0.00 0.00 1.14 0.00 0.00 74 L 8.23 4.76 0.00 1.24 1.30 -0.74 0.50 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 75 C 7.45 4.50 0.00 2.64 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 76 E 8.38 4.40 0.00 2.03 1.89 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 2.29 2.30 0.00 77 A 8.88 4.58 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 78 A 8.06 4.10 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 79 F 8.41 4.04 0.00 3.00 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 80 P 0.00 4.02 0.00 1.52 1.79 0.00 2.20 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.92 0.00 81 K 8.71 3.99 0.00 1.94 1.91 0.00 1.86 0.00 0.00 1.96 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.81 1.93 7.81 82 K 7.94 3.95 0.00 2.04 2.07 0.00 1.52 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.46 7.81 83 L 8.30 4.30 0.00 1.33 1.90 0.72 1.14 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 84 A 7.92 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 F 7.84 4.16 0.00 3.08 3.12 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 86 A 7.91 4.18 1.57 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 87 Y 7.73 3.43 0.00 2.31 2.99 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 88 L 7.41 3.56 0.00 1.69 1.65 1.04 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.22 3.97 0.00 2.28 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 2.41 2.58 0.00 90 D 8.02 4.50 0.00 3.03 2.94 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 91 L 7.67 4.42 0.00 1.72 1.85 0.59 1.45 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 92 H 8.50 3.00 0.00 2.28 3.11 0.00 5.64 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.03 3.87 0.00 4.02 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 94 E 7.97 3.73 0.00 1.74 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 1.47 2.08 0.00 95 F 8.73 3.93 0.00 2.82 3.20 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 96 D 8.58 4.28 0.00 2.95 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 97 E 7.71 3.90 0.00 1.96 2.09 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 2.24 2.28 0.00 98 Q 7.39 4.24 0.00 1.72 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 99 H 7.49 4.66 0.00 1.49 2.47 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 G 7.15 3.63 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 0.00 0.00 0.00 101 K 7.76 4.28 0.00 1.71 1.82 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.32 7.81 102 K 7.92 4.46 0.00 1.81 1.87 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.37 7.81 103 V 8.04 3.76 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 1.01 0.00 0.00 0.81 0.00 0.00 104 P 0.00 4.05 0.00 2.22 2.14 0.00 3.74 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 1.99 1.94 0.00 105 T 7.76 4.38 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 1.22 0.00 0.00 106 V 6.98 3.92 1.98 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 0.67 0.00 0.00 1.03 0.00 0.00 107 S 8.07 4.60 0.00 3.88 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 0.00 108 R 7.73 4.25 0.00 1.76 1.87 0.00 3.16 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 109 P 0.00 4.21 0.00 2.20 2.13 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 110 Y 7.72 4.24 0.00 3.20 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 0.00 111 S 7.89 4.04 0.00 3.31 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 0.00 112 F 7.72 5.03 0.00 3.24 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 I 7.69 4.04 1.96 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 1.49 0.92 1.07 0.00 0.00 114 E 8.34 4.23 0.00 2.16 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 0.00 2.40 2.40 0.00 115 F 8.30 4.60 0.00 3.41 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 0.00 116 D 9.02 4.50 0.00 3.04 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 0.00 117 T 8.42 3.59 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 118 F 8.28 3.90 0.00 2.89 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 I 7.59 3.71 2.11 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.65 1.07 0.00 0.00 120 Q 8.41 4.06 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 121 K 7.83 4.04 0.00 1.84 1.87 0.00 1.55 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.25 1.26 7.81 122 T 7.15 4.13 4.05 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 1.33 0.00 0.00 123 K 8.07 3.41 0.00 1.84 1.76 0.00 1.56 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.26 1.15 7.81 124 K 7.53 3.99 0.00 1.90 1.80 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.60 7.81 125 L 7.76 4.06 0.00 1.68 1.52 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 7.70 4.53 0.00 2.86 3.06 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 0.00 127 I 7.07 4.33 1.78 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.56 0.82 0.00 0.00 128 D 7.70 4.30 0.00 2.59 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 0.00 0.00 0.00 0.00 129 S 8.82 4.29 0.00 4.00 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 0.00 130 R 7.53 4.47 0.00 1.92 2.01 0.00 3.08 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 *148 I 7.57 4.03 1.70 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.22 0.78 0.00 0.00 149 M 7.91 4.82 0.00 2.07 1.82 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 2.50 2.49 0.00 150 V 8.22 5.14 2.10 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 0.89 0.00 0.00 0.97 0.00 0.00 151 A 8.51 4.65 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 0.00 152 N 8.81 4.82 0.00 2.80 2.76 0.00 0.00 6.54 7.82 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 0.00 153 I 8.22 3.38 1.90 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.00 1.05 0.00 0.00 154 E 8.41 3.96 0.00 2.16 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 2.37 2.38 0.00 155 E 8.94 4.00 0.00 1.91 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 2.32 2.31 0.00 156 V 7.67 3.64 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 0.91 0.00 0.00 0.95 0.00 0.00 157 L 7.62 4.14 0.00 1.67 1.50 0.81 0.48 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 * Residues marked with a * may have inaccurate shift predictions.