NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9718 8.3549 109.7326 45.8852 0.0000 173.3081 2 S 4.5163 8.4002 113.7925 56.4102 63.3857 172.8750 3 S 4.6517 7.9014 115.0319 56.3449 66.2603 172.5497 4 M 4.0175 7.9429 119.6020 55.6419 33.1456 174.7871 5 K 4.9854 8.1401 121.3506 54.6004 36.9796 174.9794 6 I 4.9493 8.2828 121.2295 59.2036 41.8552 174.5751 7 S 4.6297 8.7108 123.7681 57.9824 64.0415 175.4404 8 R 3.9266 8.7427 122.2913 59.4113 29.7542 179.3546 9 G 3.5784 7.9488 105.4040 47.5797 0.0000 175.3435 10 L 3.9770 7.8268 122.7327 57.7280 42.0126 178.9879 11 L 3.7408 7.6275 118.7790 57.4726 41.4803 179.3906 12 K 3.8681 8.0034 119.4904 59.7555 32.1707 178.9285 13 T 3.8261 7.8129 115.9634 66.6504 68.3329 176.6331 14 I 3.4598 8.0367 121.9093 64.4499 37.2089 178.5835 15 L 3.9275 8.0978 120.0516 57.8063 41.3916 179.4986 16 E 3.9384 8.2991 118.4084 59.0096 29.3822 179.1483 17 A 3.7867 7.7129 120.8455 54.6816 18.2126 179.5976 18 A 3.5833 7.5430 119.4073 55.0254 18.1663 179.9444 19 K 3.5532 7.2146 115.6966 59.7576 32.2015 179.5415 20 S 4.2605 7.8779 113.9500 61.3262 62.9960 176.2042 21 A 4.3490 8.1120 123.5703 53.6611 18.3695 177.0264 22 H 4.2244 7.7323 116.2643 56.5959 30.2284 172.6694 23 P 4.3079 0.0000 0.0000 62.8131 31.4982 175.7165 24 D 4.6109 8.0079 119.2325 54.4401 41.4380 175.6206 25 E 4.5147 8.4636 120.5006 54.9767 30.1913 176.2767 26 F 2.6504 8.6998 128.2352 57.8604 40.6814 173.8564 27 I 4.6245 6.4891 122.8395 59.8680 41.1015 173.1022 28 A 4.4133 8.4521 128.2746 51.2907 23.4080 174.6532 29 L 5.0038 8.5367 119.3348 53.3812 43.9683 176.4547 30 L 4.6973 8.7820 124.3488 54.5545 43.2110 176.3034 31 S 5.5429 9.3024 117.3998 55.8953 67.6886 173.2923 32 G 4.3069 7.4861 105.7236 44.5438 0.0000 171.3595 33 S 5.2577 8.0464 115.6255 56.6329 67.0880 177.0777 34 K 3.8214 8.4453 124.6494 58.1213 31.9614 174.8604 35 D 4.9814 8.7698 112.8215 52.8212 40.3886 173.4774 36 V 4.5990 7.7714 118.1280 62.1802 34.4548 174.6070 37 M 4.7065 8.8950 128.7451 54.9559 32.6326 176.5878 38 D 4.8403 8.7174 120.3611 53.4116 41.9552 174.5544 39 E 4.9163 8.7692 118.2019 55.0744 34.4505 174.2151 40 L 5.0091 8.4047 120.0909 53.1214 45.5756 176.5253 41 I 4.3278 8.4132 124.4676 59.5640 38.1912 175.1877 42 F 4.5538 8.9912 126.1632 57.4237 39.5940 175.0528 43 L 4.9295 8.5068 121.5963 51.8899 44.7809 176.0400 44 P 4.5436 0.0000 0.0000 62.6009 29.0868 176.0168 45 F 4.4457 7.7047 118.2694 59.4944 39.0905 177.5282 46 V 3.6691 6.4759 120.7951 62.4167 32.0485 177.4247 47 S 4.3437 8.3783 124.8087 57.9418 61.5301 174.2981 *61 I 3.8505 7.4905 112.1211 61.8111 38.5763 175.7974 62 G 4.0276 8.9741 109.9045 45.3487 0.0000 173.9626 63 M 4.2693 7.6656 118.4820 56.2904 32.6115 175.9778 64 K 4.4392 8.5303 120.2974 54.9579 37.5422 175.5854 65 V 4.0326 7.9580 122.6068 61.6272 31.6288 175.5676 66 F 4.5856 9.0099 128.8975 57.8818 39.8531 176.7767 67 G 4.6033 7.5122 106.5491 46.1001 0.0000 171.0420 68 T 5.3961 7.5919 113.5703 59.9188 73.2073 173.6484 69 V 5.1975 8.7312 121.1742 60.5728 34.9559 173.9034 70 H 5.5176 9.3367 118.9722 54.3924 32.3298 172.2394 71 S 5.5095 8.8461 114.0730 57.1731 65.9225 172.9401 72 H 5.3010 9.1602 118.4420 53.5868 30.8744 173.4666 73 P 4.8969 0.0000 0.0000 63.7212 31.9943 176.4068 74 S 4.6767 7.7601 114.4945 56.2551 64.7351 172.3552 75 P 4.8261 0.0000 0.0000 62.6398 30.8442 175.6360 76 S 4.7203 7.9818 113.8152 57.8542 63.8521 172.8256 77 C 4.9030 8.8555 123.7392 56.8370 40.4128 173.7907 78 R 4.6516 7.8035 119.0684 54.0647 30.6378 174.6657 79 P 4.6423 0.0000 0.0000 62.3157 32.6143 176.3911 80 S 4.5966 7.9832 115.9560 56.9561 66.4798 175.0657 81 E 3.8664 8.3845 120.1307 59.5184 28.9540 179.3435 82 E 3.8801 7.9869 118.1455 59.4666 29.5133 178.9470 83 D 3.9171 7.6184 118.4459 57.1484 40.9123 178.7258 84 L 3.5490 7.3431 119.6138 57.7127 41.3476 179.8232 85 S 4.1132 7.4750 112.7014 60.9459 63.0678 176.1393 86 L 4.0208 7.3200 123.9224 58.0627 41.6605 178.7473 87 F 3.7816 7.9672 117.2185 60.7180 38.8775 177.4752 88 T 4.1072 7.6610 107.6805 64.2696 68.7558 176.7530 89 R 4.1542 7.6263 121.0802 58.1504 30.3709 176.5319 90 F 4.6025 7.1550 109.1197 57.1127 39.8901 173.3064 91 G 4.1420 9.1604 109.6893 46.1261 0.0000 173.7039 92 K 4.0345 8.4373 120.6981 57.8198 33.7063 176.3802 93 Y 5.0929 8.4404 116.9215 56.3989 41.6955 175.1064 94 H 5.1837 9.2637 119.5592 54.4201 32.9106 172.4086 95 I 5.0545 8.8804 125.0108 59.9752 39.6507 174.8987 96 I 5.1194 9.1019 126.4475 59.7083 40.3348 175.0376 97 V 5.2728 8.7137 119.9535 59.9084 34.9870 172.3102 98 C 5.6259 9.0178 116.5946 53.6079 40.4019 172.6110 99 Y 3.0482 8.2170 121.0678 56.8905 39.3013 174.8396 100 P 2.9700 0.0000 0.0000 62.1068 31.5010 175.3889 101 Y 3.7189 7.6119 116.0251 59.4852 35.7098 169.7791 102 D 4.8676 7.8345 118.7407 52.0241 40.8815 176.3933 103 E 4.0651 8.7334 117.2165 59.2527 29.0654 177.8274 104 N 4.9455 8.6660 114.0933 53.1003 39.6178 175.6981 105 S 4.6017 8.4829 117.3351 56.5957 62.0339 173.4414 106 W 5.7022 7.0495 115.2939 55.5352 31.2298 174.3770 107 K 4.3548 9.1175 118.1153 55.1241 36.5229 174.6329 108 C 5.3183 8.3133 122.3055 57.9684 34.4220 172.0822 109 Y 5.3711 8.8745 121.6771 56.3196 42.6321 175.1145 110 N 5.1365 8.8800 118.7096 50.8128 39.4242 175.7743 111 R 4.1535 8.4235 117.2936 58.6194 30.0324 176.9868 112 K 4.3721 8.4191 114.8359 56.3235 32.6730 176.8772 113 G 4.1356 8.6085 107.4736 45.5094 0.0000 173.2735 114 E 4.5790 8.7223 120.0508 54.6788 30.6744 175.2965 115 E 4.2851 8.8739 124.6601 56.5279 30.1735 176.1086 116 V 4.6405 8.4043 119.3365 59.5225 35.8280 175.0827 117 E 4.4244 8.6514 121.2002 56.0060 30.9004 176.2875 118 L 4.7359 8.1795 120.6179 53.0109 45.3806 175.7503 119 E 4.1967 8.7695 126.2863 55.6656 30.8143 175.5304 120 V 4.3841 8.4433 127.6335 62.5077 32.7162 176.0483 121 V 4.0947 8.5426 120.5318 61.4796 32.1414 175.5815 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 G 8.35 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 2 S 8.40 4.52 0.00 3.91 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 3 S 7.90 4.65 0.00 3.91 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 4 M 7.94 4.02 0.00 1.13 0.91 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.54 0.00 5 K 8.14 4.99 0.00 1.67 1.60 0.00 1.70 0.00 0.00 1.51 0.00 0.00 2.73 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.24 1.40 7.81 6 I 8.28 4.95 1.61 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.45 0.58 0.00 0.00 7 S 8.71 4.63 0.00 3.90 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 8 R 8.74 3.93 0.00 1.92 1.93 0.00 3.13 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 9 G 7.95 3.58 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 0.00 0.00 0.00 10 L 7.83 3.98 0.00 1.73 1.69 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.63 3.74 0.00 1.73 1.42 0.33 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.00 3.87 0.00 1.79 1.92 0.00 1.62 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.45 7.81 13 T 7.81 3.83 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 1.29 0.00 0.00 14 I 8.04 3.46 1.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.67 0.94 0.00 0.00 15 L 8.10 3.93 0.00 1.63 1.88 1.01 1.05 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 16 E 8.30 3.94 0.00 2.06 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 2.29 2.54 0.00 17 A 7.71 3.79 0.57 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 18 A 7.54 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.21 3.55 0.00 1.81 1.87 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.63 1.61 7.81 20 S 7.88 4.26 0.00 3.98 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 21 A 8.11 4.35 1.50 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 22 H 7.73 4.22 0.00 3.44 3.51 0.00 5.75 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.31 0.00 2.13 1.91 0.00 3.85 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 1.95 1.96 0.00 24 D 8.01 4.61 0.00 3.08 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 25 E 8.46 4.51 0.00 1.90 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 2.53 2.37 0.00 26 F 8.70 2.65 0.00 2.68 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 27 I 6.49 4.62 1.73 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 1.20 0.94 0.91 0.00 0.00 28 A 8.45 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.54 5.00 0.00 1.61 1.65 0.88 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.78 4.70 0.00 1.74 1.75 1.02 0.81 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 31 S 9.30 5.54 0.00 3.80 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 32 G 7.49 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 0.00 0.00 0.00 0.00 33 S 8.05 5.26 0.00 3.91 3.82 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 34 K 8.45 3.82 0.00 1.88 0.88 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.43 7.81 35 D 8.77 4.98 0.00 2.62 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.77 4.60 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 0.73 0.00 0.00 0.87 0.00 0.00 37 M 8.90 4.71 0.00 1.95 1.83 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.18 0.00 38 D 8.72 4.84 0.00 2.60 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 39 E 8.77 4.92 0.00 1.92 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 2.25 2.45 0.00 40 L 8.40 5.01 0.00 0.95 0.82 0.81 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.41 4.33 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.69 0.93 0.00 0.00 42 F 8.99 4.55 0.00 2.99 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.51 4.93 0.00 1.71 1.60 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.54 0.00 2.15 2.08 0.00 3.81 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 2.01 1.96 0.00 45 F 7.70 4.45 0.00 3.27 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 46 V 6.48 3.67 1.76 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 0.73 0.00 0.00 0.37 0.00 0.00 47 S 8.38 4.34 0.00 3.90 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 *61 I 7.49 3.85 1.87 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 1.35 0.54 0.91 0.00 0.00 62 G 8.97 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 63 M 7.67 4.27 0.00 1.86 2.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 64 K 8.53 4.44 0.00 1.11 1.33 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.27 1.55 7.81 65 V 7.96 4.03 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 0.90 0.00 0.00 0.85 0.00 0.00 66 F 9.01 4.59 0.00 3.12 3.22 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 0.00 67 G 7.51 4.60 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 68 T 7.59 5.40 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 1.19 0.00 0.00 69 V 8.73 5.20 2.13 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 0.88 0.00 0.00 1.06 0.00 0.00 70 H 9.34 5.52 0.00 3.30 3.35 0.00 5.23 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.85 5.51 0.00 4.16 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 72 H 9.16 5.30 0.00 3.21 3.27 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.90 0.00 2.18 2.40 0.00 3.45 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 74 S 7.76 4.68 0.00 4.02 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 75 P 0.00 4.83 0.00 2.25 2.31 0.00 3.33 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 76 S 7.98 4.72 0.00 3.87 3.82 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 77 C 8.86 4.90 0.00 3.05 3.19 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 0.00 78 R 7.80 4.65 0.00 1.79 1.88 0.00 3.14 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 79 P 0.00 4.64 0.00 1.82 1.66 0.00 3.62 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.21 0.00 80 S 7.98 4.60 0.00 4.03 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 81 E 8.38 3.87 0.00 1.93 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 2.34 2.30 0.00 82 E 7.99 3.88 0.00 1.95 1.90 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 2.35 2.41 0.00 83 D 7.62 3.92 0.00 2.52 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 0.00 0.00 0.00 84 L 7.34 3.55 0.00 1.73 1.58 0.74 0.62 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 85 S 7.48 4.11 0.00 3.98 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 86 L 7.32 4.02 0.00 1.64 1.69 0.91 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 87 F 7.97 3.78 0.00 2.96 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 88 T 7.66 4.11 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 1.30 0.00 0.00 89 R 7.63 4.15 0.00 1.93 2.28 0.00 3.30 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.93 0.00 90 F 7.15 4.60 0.00 3.09 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 91 G 9.16 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 0.00 0.00 0.00 0.00 92 K 8.44 4.03 0.00 1.03 1.16 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.43 7.81 93 Y 8.44 5.09 0.00 2.80 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 94 H 9.26 5.18 0.00 1.72 2.32 0.00 5.79 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.88 5.05 1.93 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.78 1.11 0.00 0.00 96 I 9.10 5.12 2.24 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 1.24 1.30 0.73 0.00 0.00 97 V 8.71 5.27 2.38 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 0.92 0.00 0.00 1.11 0.00 0.00 98 C 9.02 5.63 0.00 3.18 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 99 Y 8.22 3.05 0.00 2.95 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 2.97 0.00 1.74 1.21 0.00 3.72 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.72 0.00 101 Y 7.61 3.72 0.00 3.17 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 0.00 102 D 7.83 4.87 0.00 2.89 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 0.00 103 E 8.73 4.07 0.00 2.16 2.21 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 2.34 2.35 0.00 104 N 8.67 4.95 0.00 2.67 2.75 0.00 0.00 7.05 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 0.00 105 S 8.48 4.60 0.00 4.07 4.04 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 0.00 106 W 7.05 5.70 0.00 3.52 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 0.00 107 K 9.12 4.35 0.00 1.71 1.27 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.08 1.28 7.81 108 C 8.31 5.32 0.00 3.17 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 0.00 109 Y 8.87 5.37 0.00 2.75 2.87 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 0.00 110 N 8.88 5.14 0.00 2.90 3.01 0.00 0.00 6.53 8.34 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 0.00 111 R 8.42 4.15 0.00 1.87 1.99 0.00 3.21 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.93 0.00 112 K 8.42 4.37 0.00 1.96 1.85 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.38 1.43 7.81 113 G 8.61 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 0.00 0.00 0.00 0.00 114 E 8.72 4.58 0.00 2.22 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 115 E 8.87 4.29 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 116 V 8.40 4.64 2.15 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 0.84 0.00 0.00 1.02 0.00 0.00 117 E 8.65 4.42 0.00 1.82 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 2.23 2.30 0.00 118 L 8.18 4.74 0.00 1.72 1.49 0.80 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.77 4.20 0.00 2.03 1.76 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 2.28 2.24 0.00 120 V 8.44 4.38 2.11 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 0.79 0.00 0.00 1.03 0.00 0.00 121 V 8.54 4.09 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 0.63 0.00 0.00 0.87 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.