NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3910 8.5298 119.6811 55.4440 33.3497 173.6013 2 N 4.6159 7.3924 118.1047 49.1707 40.8650 173.1351 3 I 3.5457 9.1279 118.0602 65.2607 38.6682 177.8670 4 F 4.2515 8.1525 117.6491 60.9410 38.6520 177.1071 5 E 3.9942 9.1761 118.7983 59.6882 29.4386 179.0437 6 M 3.7894 7.9866 119.2244 58.0679 32.2761 177.7639 7 L 3.8582 8.4754 119.4052 58.0609 41.7448 179.8837 8 R 3.6382 8.0727 118.4491 59.3025 29.8520 178.4388 9 I 3.9050 7.5454 117.4484 63.2050 37.1582 176.8272 10 D 4.9612 8.1091 118.0219 53.9848 42.1778 176.4952 11 E 4.5701 7.6883 116.1255 54.6212 30.9477 177.2100 12 G 3.5984 7.8379 108.1877 47.0219 0.0000 172.8612 13 L 4.5333 8.0184 120.4846 54.4650 43.0404 175.9567 14 R 4.5911 8.6339 124.8311 54.8035 31.4191 177.4243 15 L 4.8012 8.3215 117.2399 53.9412 43.8008 176.1665 16 K 4.9170 7.0508 118.5068 53.9484 34.6528 176.4732 17 I 2.8595 7.0919 119.2704 61.1772 38.6818 174.5251 18 Y 4.8489 7.5907 119.3590 56.3267 41.0414 175.8594 19 K 3.9712 8.7601 123.1125 55.5904 31.3537 176.7736 20 D 4.8568 7.1667 118.0175 55.0727 38.2558 176.4294 21 T 4.8018 7.6995 129.2760 62.1250 68.1370 178.1195 22 E 4.4463 8.7379 114.1032 54.3690 28.7736 174.8849 23 G 3.7414 8.0765 104.0899 45.9280 0.0000 170.6660 24 Y 4.9592 7.1002 116.0368 56.0552 40.7408 175.8182 25 Y 3.5844 8.5396 123.0285 56.8218 36.8674 175.5808 26 T 4.7701 8.1615 115.7348 61.6999 70.9042 173.8873 27 I 4.2470 8.3754 121.6210 62.1075 42.6418 174.7769 28 G 3.8465 7.6937 113.8224 47.4885 0.0000 176.3765 29 I 4.7973 7.9923 117.3018 58.0837 35.9374 175.2030 30 G 4.0924 8.5411 107.0099 45.6351 0.0000 169.8716 31 Y 4.3111 8.1046 120.8294 56.0210 39.9166 175.0789 32 T 5.5919 7.6146 123.1905 60.8308 71.6828 172.1052 *44 S 4.3626 8.0661 115.4735 58.9180 64.2380 173.6231 45 L 4.5925 8.2588 120.7377 57.3730 42.2365 178.3322 46 N 4.3836 8.1206 115.4774 55.8148 38.4518 177.1772 47 A 3.8743 7.3915 121.0718 55.5286 18.1688 178.9468 48 A 3.8097 7.2609 119.1091 54.6775 18.2378 179.5143 49 K 3.8950 8.1473 115.3675 59.7352 32.4160 179.5859 50 S 4.2821 8.0445 114.9279 61.7234 62.7638 176.3614 51 E 3.9422 8.5561 121.3177 59.4708 29.2946 178.8816 52 L 3.9304 8.9781 120.8103 58.7013 42.0451 178.6333 53 D 4.4129 8.9703 119.5437 57.4690 40.5575 179.2122 54 K 3.9207 7.8810 117.3197 60.0100 32.2635 178.4674 55 A 3.9007 8.2821 119.6754 53.5958 18.0060 178.6387 56 I 3.6773 7.1375 119.1601 63.9211 38.7536 176.0759 57 G 4.2599 8.3884 113.0457 45.7142 0.0000 174.9122 58 R 4.1223 7.3992 116.7823 54.5100 30.6131 175.7190 59 N 4.7938 8.4904 117.2404 53.8740 39.4941 174.0973 60 T 4.2935 9.7595 119.8541 61.6914 69.1817 174.0609 61 N 4.2913 9.2744 117.1113 54.0428 36.1600 174.7787 62 G 4.0167 8.0791 107.6035 44.9019 0.0000 173.6696 63 V 4.4080 7.6530 120.5449 61.7162 32.1935 175.4003 64 I 5.6461 8.2143 120.4862 58.4644 40.7501 174.8265 65 T 4.4615 8.5502 113.1774 60.1835 71.2234 175.2221 66 K 3.8673 8.8531 123.2756 60.1215 31.8992 178.0741 67 D 4.6273 8.0788 119.5090 56.9204 40.7813 178.5088 68 E 3.9420 8.4160 118.6506 59.5062 29.4826 179.1361 69 A 4.0241 8.9816 121.7059 55.4929 18.0942 179.7055 70 E 4.0663 8.7361 117.2600 59.4439 29.4659 178.9867 71 K 3.9936 8.3219 118.9073 60.4322 32.4986 177.8074 72 L 4.1242 8.5801 119.4864 56.9181 41.3873 179.6970 73 F 4.3561 8.7941 118.8985 61.2020 40.0445 177.6810 74 N 4.2169 9.3445 117.1399 56.8954 38.6980 176.5929 75 Q 4.0083 8.6662 119.4419 59.2032 28.9140 178.5264 76 D 4.7767 8.3391 119.0600 57.6338 40.8117 178.8076 77 V 3.6807 8.4653 119.2419 66.4440 31.2728 177.7459 78 D 4.3175 8.3833 118.2119 57.4653 40.7909 178.6759 79 A 4.0321 9.1282 121.6416 54.9278 18.1588 179.4042 80 A 3.8568 8.0739 119.8265 55.6544 18.5555 179.8509 81 V 3.0964 7.5709 115.2683 66.4407 31.8180 177.7588 82 R 3.7536 8.2657 116.4943 59.8111 29.7255 178.3160 83 G 3.9215 8.2574 106.9224 48.2079 0.0000 175.1921 84 I 3.7739 7.7161 121.6136 64.2171 36.9712 178.1415 85 L 3.9330 7.7882 118.8825 58.0389 41.5615 178.8404 86 R 4.1407 7.9138 115.4878 57.0089 30.6358 175.4510 87 N 4.7014 8.5088 117.1317 52.9419 39.9933 175.4587 88 A 4.2224 8.4484 127.2792 54.4053 19.3203 178.9666 89 K 4.1919 7.8298 114.3096 58.9554 32.7621 179.1180 90 L 4.2682 8.0825 118.5454 57.0792 42.0029 178.3871 91 K 3.9767 7.8858 119.5732 59.6007 32.0407 176.3911 92 P 4.2328 0.0000 0.0000 66.4640 31.0714 178.5635 93 V 3.3826 7.7334 114.2741 66.7137 32.1045 177.0441 94 Y 4.2567 8.8234 117.2220 61.5312 38.6457 178.2112 95 D 4.2154 8.9426 122.1867 57.5823 41.3423 178.7150 96 S 4.3603 8.4709 111.2675 58.4116 62.8071 173.7734 97 L 4.6514 7.5321 121.2550 53.8791 43.2148 176.4150 98 D 4.6374 8.2707 120.6483 52.9508 41.5210 177.0177 99 A 4.1372 8.2939 120.7373 54.0467 18.4582 179.5177 100 V 3.3766 7.5607 116.1561 65.5011 32.2085 177.7413 101 R 3.6928 8.4852 118.3116 59.1085 29.9576 178.8458 102 R 4.1282 8.1153 115.5320 59.6817 29.3357 178.1667 103 A 3.9885 8.1609 120.7085 55.0653 17.9221 179.2774 104 A 3.8610 7.4571 118.3150 54.7938 18.0115 179.4887 105 L 4.2964 7.7757 118.4118 57.9927 42.3882 178.3807 106 I 3.7636 8.0998 118.1875 63.1018 37.1488 176.6477 107 N 4.7226 7.5841 116.7525 55.6286 39.6860 176.3859 108 M 4.1001 7.7318 119.4516 58.6374 31.9758 178.9276 109 V 3.9308 7.8612 116.8167 65.5198 31.5736 177.6237 110 F 4.1580 7.9657 119.3656 61.3295 39.5536 176.5980 111 Q 4.3763 8.4513 118.3056 58.4163 30.4681 176.4367 112 M 4.2900 7.9600 116.8654 56.8772 30.2749 174.0253 113 G 3.0953 7.2501 110.7153 45.4002 0.0000 172.2445 114 E 3.9539 7.7661 122.9643 59.4116 29.1483 178.5147 115 T 3.9402 7.6924 112.2215 64.4912 69.0243 176.3732 116 G 3.5517 7.8965 108.5907 47.4986 0.0000 175.2444 117 V 3.3514 7.1995 117.7766 64.0273 31.8453 177.2908 118 A 4.3079 7.5901 120.2011 54.6072 18.2233 179.0446 119 G 3.7426 7.2508 102.4423 46.2301 0.0000 173.3787 120 F 5.1966 7.9114 120.1694 58.8985 39.6469 178.6012 121 T 3.8909 8.1292 119.2935 67.0474 68.5412 174.6104 122 N 4.5794 8.1246 117.3547 56.0185 38.8690 177.6982 123 S 4.0995 7.9450 116.1154 61.2923 62.0973 175.9430 124 L 4.0968 8.5262 122.8754 56.7954 41.7274 178.4086 125 R 4.4600 7.6062 115.2443 58.8877 30.0074 178.4448 126 M 3.9831 7.8397 118.8059 57.7305 31.9236 178.5852 127 L 4.3391 7.6956 119.5171 57.7540 41.6259 178.8959 128 Q 4.0741 7.2518 118.5316 59.5488 29.0074 178.4581 129 Q 4.1527 7.9073 114.5171 55.6203 28.4609 176.6816 130 K 2.4800 7.5101 117.4830 56.6058 30.4858 176.7949 131 R 3.8341 7.9522 121.3437 54.9292 28.6974 177.3921 132 W 4.6206 7.5554 122.3277 59.7722 29.0692 177.7213 133 D 4.6821 8.2966 118.2713 57.4140 40.1491 178.0216 134 E 4.1344 7.6092 115.0608 57.5393 29.8391 177.3463 135 A 4.4319 8.3580 120.1581 54.6849 20.1781 177.9327 136 A 3.8893 8.2056 117.8216 55.7144 18.1503 179.4874 137 V 3.4534 7.7611 113.6087 66.3934 31.5135 178.4589 138 N 4.3311 7.9932 113.9486 56.2468 38.4388 176.7396 139 L 4.1971 8.0565 119.4256 57.0327 41.9993 178.6174 140 A 3.8821 8.1400 120.8366 53.8841 19.6675 178.6288 141 K 4.2566 7.3394 117.4958 55.2036 31.2439 175.8309 142 S 4.8847 7.4335 117.4910 56.7060 66.6844 175.8183 143 R 4.2137 9.0811 122.2941 58.9345 29.4492 176.7151 144 W 4.3211 8.1521 122.9138 60.9266 30.1189 176.7307 145 Y 3.4828 8.3410 117.7442 60.9562 39.0426 178.4330 146 N 4.4816 8.2884 113.9994 53.9787 38.6563 175.6749 147 Q 4.2690 8.4798 119.3908 57.2701 31.7613 175.8968 148 T 4.5997 7.0206 105.8939 58.5761 68.0175 172.3450 149 P 3.1048 0.0000 0.0000 66.3353 31.6586 178.1015 150 N 4.1368 7.8404 115.8344 55.9208 38.4698 176.7697 151 R 3.8092 7.8790 118.9870 59.6558 30.0299 178.2027 152 A 3.5584 7.2774 119.6595 54.7037 18.3038 179.1823 153 K 3.7455 8.6600 118.5535 59.9519 32.0316 179.0508 154 R 3.7796 8.1430 118.3212 59.2967 29.9135 179.1458 155 V 3.6665 8.3680 117.1111 65.8678 31.6024 177.7901 156 I 4.3300 8.1481 120.2228 64.3841 37.2602 177.7458 157 T 3.7588 7.9098 110.0241 65.7547 68.4936 176.0521 158 T 3.7663 8.3699 117.9892 65.4976 68.0962 175.7624 159 F 4.4747 8.5480 119.4188 58.8617 39.9558 177.7259 160 R 4.1636 8.0366 117.6266 58.6356 30.0258 176.8540 161 T 4.1967 7.7845 107.4417 60.8665 70.4699 175.4668 162 G 3.4986 7.4795 107.5328 45.6364 0.0000 172.8279 163 T 4.5209 7.4376 110.4509 59.4865 71.4483 173.9046 164 W 5.0382 8.2784 118.8310 56.9588 29.8675 177.3692 165 D 4.5515 8.1063 118.8451 56.3811 40.6593 177.6283 166 A 4.2947 8.0713 120.0791 52.7561 18.5990 177.0424 167 Y 4.5885 7.8649 112.1102 57.3171 40.3312 175.9212 168 K 4.0943 8.5339 123.1874 56.9713 32.1505 176.3458 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 8.53 4.39 0.00 0.96 1.65 0.00 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.85 0.00 2 N 7.39 4.62 0.00 3.03 2.85 0.00 0.00 5.52 6.70 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 3 I 9.13 3.55 1.74 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.61 0.14 0.00 0.00 4 F 8.15 4.25 0.00 3.50 3.24 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 5 E 9.18 3.99 0.00 1.81 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 2.33 2.54 0.00 6 M 7.99 3.79 0.00 2.11 1.58 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.44 0.00 7 L 8.48 3.86 0.00 1.90 1.42 0.49 0.23 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 8 R 8.07 3.64 0.00 1.72 1.86 0.00 3.21 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.75 0.00 9 I 7.55 3.91 2.22 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 1.67 0.60 1.01 0.00 0.00 10 D 8.11 4.96 0.00 2.86 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 11 E 7.69 4.57 0.00 1.82 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 2.24 2.11 0.00 12 G 7.84 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.02 4.53 0.00 1.51 1.53 0.92 0.84 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 14 R 8.63 4.59 0.00 1.99 1.86 0.00 3.19 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 15 L 8.32 4.80 0.00 1.71 1.64 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.05 4.92 0.00 1.67 1.63 0.00 1.59 0.00 0.00 0.61 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.38 7.81 17 I 7.09 2.86 1.96 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.05 1.31 0.00 0.00 18 Y 7.59 4.85 0.00 3.12 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 19 K 8.76 3.97 0.00 1.78 1.80 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.29 1.32 7.81 20 D 7.17 4.86 0.00 2.92 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 21 T 7.70 4.80 4.36 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 0.00 0.00 0.00 1.36 0.00 0.00 22 E 8.74 4.45 0.00 1.88 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 2.02 2.19 0.00 23 G 8.08 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 24 Y 7.10 4.96 0.00 2.98 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 25 Y 8.54 3.58 0.00 2.92 2.97 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 26 T 8.16 4.77 4.37 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 1.33 0.00 0.00 27 I 8.38 4.25 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.02 1.14 0.00 0.00 28 G 7.69 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 29 I 7.99 4.80 1.47 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.22 0.37 0.00 0.00 30 G 8.54 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 0.00 0.00 0.00 0.00 31 Y 8.10 4.31 0.00 3.26 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 32 T 7.61 5.59 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 1.23 0.00 0.00 *44 S 8.07 4.36 0.00 4.03 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 0.00 45 L 8.26 4.59 0.00 1.93 1.81 1.06 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.12 4.38 0.00 2.85 2.86 0.00 0.00 6.97 7.79 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 47 A 7.39 3.87 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.26 3.81 1.08 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 0.00 0.00 49 K 8.15 3.90 0.00 1.78 1.94 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.60 7.81 50 S 8.04 4.28 0.00 4.12 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 51 E 8.56 3.94 0.00 2.14 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 2.40 2.44 0.00 52 L 8.98 3.93 0.00 1.70 1.92 0.89 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.97 4.41 0.00 2.71 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 54 K 7.88 3.92 0.00 1.94 1.89 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.64 7.81 55 A 8.28 3.90 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 56 I 7.14 3.68 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.71 0.94 0.00 0.00 57 G 8.39 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 0.00 0.00 0.00 0.00 58 R 7.40 4.12 0.00 1.93 1.97 0.00 3.04 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 59 N 8.49 4.79 0.00 2.69 2.77 0.00 0.00 6.75 7.70 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 60 T 9.76 4.29 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 1.30 0.00 0.00 61 N 9.27 4.29 0.00 2.83 2.86 0.00 0.00 7.16 7.65 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 62 G 8.08 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.65 4.41 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 0.81 0.00 0.00 0.94 0.00 0.00 64 I 8.21 5.65 1.86 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 0.94 1.34 0.99 0.00 0.00 65 T 8.55 4.46 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 66 K 8.85 3.87 0.00 1.84 1.88 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.66 1.57 7.81 67 D 8.08 4.63 0.00 2.79 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 68 E 8.42 3.94 0.00 2.17 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 2.31 2.32 0.00 69 A 8.98 4.02 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 70 E 8.74 4.07 0.00 2.21 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 2.38 2.59 0.00 71 K 8.32 3.99 0.00 1.83 2.04 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.56 7.81 72 L 8.58 4.12 0.00 1.66 1.48 -0.39 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.79 4.36 0.00 3.26 3.37 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 74 N 9.34 4.22 0.00 3.10 2.96 0.00 0.00 7.36 7.70 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 75 Q 8.67 4.01 0.00 2.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.51 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 76 D 8.34 4.78 0.00 3.30 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 77 V 8.47 3.68 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 0.65 0.00 0.00 -0.20 0.00 0.00 78 D 8.38 4.32 0.00 3.03 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 79 A 9.13 4.03 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 80 A 8.07 3.86 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 81 V 7.57 3.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.91 0.00 0.00 82 R 8.27 3.75 0.00 1.87 1.93 0.00 3.17 0.00 0.00 3.16 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 83 G 8.26 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 84 I 7.72 3.77 1.74 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.58 0.55 0.00 0.00 85 L 7.79 3.93 0.00 1.75 1.79 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.91 4.14 0.00 1.77 1.92 0.00 3.24 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 87 N 8.51 4.70 0.00 3.05 2.69 0.00 0.00 6.93 8.77 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 88 A 8.45 4.22 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 89 K 7.83 4.19 0.00 1.76 1.89 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.46 7.81 90 L 8.08 4.27 0.00 1.68 1.69 0.91 0.92 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 91 K 7.89 3.98 0.00 2.01 1.88 0.00 1.94 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.65 1.78 7.81 92 P 0.00 4.23 0.00 2.23 2.10 0.00 3.67 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 2.14 2.18 0.00 93 V 7.73 3.38 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 0.94 0.00 0.00 1.08 0.00 0.00 94 Y 8.82 4.26 0.00 3.12 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 95 D 8.94 4.22 0.00 2.76 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 96 S 8.47 4.36 0.00 3.85 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.53 4.65 0.00 1.89 1.70 1.16 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 98 D 8.27 4.64 0.00 2.82 2.80 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 99 A 8.29 4.14 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 0.00 100 V 7.56 3.38 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 -0.31 0.00 0.00 0.69 0.00 0.00 101 R 8.49 3.69 0.00 2.06 2.03 0.00 2.89 0.00 0.00 2.76 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.59 0.00 102 R 8.12 4.13 0.00 2.57 2.40 0.00 2.81 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 1.88 1.79 0.00 103 A 8.16 3.99 1.54 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 0.00 0.00 104 A 7.46 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.78 4.30 0.00 2.06 1.98 1.01 1.14 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 0.00 106 I 8.10 3.76 2.03 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 1.26 0.87 0.86 0.00 0.00 107 N 7.58 4.72 0.00 2.99 2.98 0.00 0.00 7.08 7.53 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 0.00 108 M 7.73 4.10 0.00 2.03 2.28 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 2.55 0.00 109 V 7.86 3.93 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 0.72 0.00 0.00 0.94 0.00 0.00 110 F 7.97 4.16 0.00 3.35 3.30 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 0.00 111 Q 8.45 4.38 0.00 2.34 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.01 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 112 M 7.96 4.29 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 113 G 7.25 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.77 3.95 0.00 1.98 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 2.32 2.40 0.00 115 T 7.69 3.94 4.19 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 0.00 0.00 1.17 0.00 0.00 116 G 7.90 3.55 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 0.00 0.00 0.00 117 V 7.20 3.35 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 0.89 0.00 0.00 1.03 0.00 0.00 118 A 7.59 4.31 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 0.00 119 G 7.25 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 0.00 120 F 7.91 5.20 0.00 3.22 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 0.00 121 T 8.13 3.89 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 122 N 8.12 4.58 0.00 2.75 2.85 0.00 0.00 7.09 7.25 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 0.00 123 S 7.94 4.10 0.00 3.64 3.69 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 0.00 124 L 8.53 4.10 0.00 1.96 1.79 0.97 0.86 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 0.00 125 R 7.61 4.46 0.00 2.03 2.33 0.00 2.81 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.62 0.00 126 M 7.84 3.98 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.58 0.00 127 L 7.70 4.34 0.00 1.67 1.91 0.67 0.74 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 0.00 128 Q 7.25 4.07 0.00 2.26 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.40 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 129 Q 7.91 4.15 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.15 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 130 K 7.51 2.48 0.00 1.51 1.36 0.00 1.87 0.00 0.00 2.01 0.00 0.00 3.05 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.43 1.46 7.81 131 R 7.95 3.83 0.00 1.65 1.73 0.00 3.01 0.00 0.00 3.04 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 132 W 7.56 4.62 0.00 3.40 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.30 4.68 0.00 2.73 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 0.00 134 E 7.61 4.13 0.00 1.99 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 2.30 0.00 135 A 8.36 4.43 1.40 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 0.00 0.00 136 A 8.21 3.89 1.38 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 0.00 0.00 137 V 7.76 3.45 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 0.99 0.00 0.00 0.95 0.00 0.00 138 N 7.99 4.33 0.00 2.76 2.80 0.00 0.00 6.91 7.85 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 0.00 139 L 8.06 4.20 0.00 1.84 2.07 0.90 0.37 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 0.00 140 A 8.14 3.88 1.08 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 0.00 0.00 141 K 7.34 4.26 0.00 1.81 1.77 0.00 1.54 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.35 7.81 142 S 7.43 4.88 0.00 4.41 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 0.00 143 R 9.08 4.21 0.00 1.90 2.20 0.00 3.39 0.00 0.00 3.85 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 144 W 8.15 4.32 0.00 3.66 3.40 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 0.00 145 Y 8.34 3.48 0.00 3.17 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 0.00 146 N 8.29 4.48 0.00 2.95 2.89 0.00 0.00 6.44 6.97 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 0.00 147 Q 8.48 4.27 0.00 2.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.26 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 148 T 7.02 4.60 4.19 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 0.00 0.00 1.26 0.00 0.00 149 P 0.00 3.10 0.00 1.94 1.98 0.00 3.65 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 150 N 7.84 4.14 0.00 2.64 2.80 0.00 0.00 6.71 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 0.00 151 R 7.88 3.81 0.00 1.86 2.01 0.00 3.29 0.00 0.00 3.69 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.36 0.00 152 A 7.28 3.56 0.10 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 0.00 153 K 8.66 3.75 0.00 1.74 1.83 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.51 7.81 154 R 8.14 3.78 0.00 1.93 1.62 0.00 2.23 0.00 0.00 2.71 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.62 0.00 155 V 8.37 3.67 2.44 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 1.10 0.00 0.00 1.18 0.00 0.00 156 I 8.15 4.33 2.28 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.87 1.05 0.00 0.00 157 T 7.91 3.76 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 1.26 0.00 0.00 158 T 8.37 3.77 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 0.82 0.00 0.00 159 F 8.55 4.47 0.00 3.13 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 0.00 160 R 8.04 4.16 0.00 1.89 2.15 0.00 3.24 0.00 0.00 3.41 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 161 T 7.78 4.20 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 1.21 0.00 0.00 162 G 7.48 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 0.00 163 T 7.44 4.52 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 1.16 0.00 0.00 164 W 8.28 5.04 0.00 3.42 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 0.00 165 D 8.11 4.55 0.00 2.72 2.76 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 0.00 166 A 8.07 4.29 1.11 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 0.00 167 Y 7.86 4.59 0.00 3.08 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 0.00 168 K 8.53 4.09 0.00 1.79 1.80 0.00 1.85 0.00 0.00 1.81 0.00 0.00 3.23 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.72 1.49 7.81 * Residues marked with a * may have inaccurate shift predictions.