NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1277 8.1633 120.7270 55.2256 33.6829 173.9815 2 R 4.8991 8.8363 122.4320 51.7094 34.1607 169.7613 3 V 4.9971 8.3700 120.8340 60.3152 35.9478 173.5543 4 V 4.6549 9.2801 124.3791 61.5759 33.5691 174.1493 5 I 4.8596 8.8802 130.2875 59.9599 39.0155 174.9058 6 Q 5.7885 9.2771 126.1667 53.1415 32.2331 174.7443 7 R 4.6761 8.5292 123.8145 55.9984 31.5430 175.3014 8 V 4.9861 9.4467 120.4222 59.5897 34.9233 176.9878 9 K 4.0600 8.9118 123.4039 57.6328 32.6442 177.3654 10 G 4.3635 7.5337 108.2852 45.7203 0.0000 171.5665 11 A 5.1962 8.4391 121.6954 50.4260 23.3610 175.3835 12 I 4.5658 8.9347 123.0717 59.4694 40.0166 174.2816 13 L 4.9728 8.7060 129.9866 53.5253 44.0165 175.3951 14 S 5.1422 9.0181 121.2813 57.0661 67.6905 174.1832 15 V 4.5171 7.9223 115.8087 59.6405 34.4161 175.4281 16 R 4.1821 8.4796 120.5176 56.6791 29.7435 176.5445 *27 L 4.6076 8.2153 122.7573 54.6819 42.8560 176.9270 28 E 4.5143 9.2126 120.9345 55.5244 32.4726 174.1586 29 I 4.0542 8.2987 124.7719 60.9359 37.0915 175.6589 30 I 4.6651 9.0120 118.2889 60.6296 39.5608 175.6156 31 S 4.8042 7.9059 117.2834 57.0567 67.5285 172.5876 32 E 5.2561 8.5668 122.4251 54.9332 32.6346 174.0426 33 I 4.9065 8.8677 119.1953 58.1479 41.5390 176.3567 34 K 5.0915 9.8168 122.8134 55.7871 31.2268 178.7388 35 N 4.2764 8.6133 125.9495 54.3030 39.4290 172.9347 36 G 4.0357 6.8285 109.7624 45.0132 0.0000 172.0484 37 L 5.3447 8.8432 123.8919 52.9143 45.6093 175.5228 38 I 4.5241 8.6460 123.4393 59.9598 39.9841 174.0787 39 C 5.1598 8.8060 126.7032 57.9925 31.3790 173.0081 40 F 5.0297 9.5168 124.3896 56.4088 40.1178 174.7164 41 L 5.2200 9.3291 126.8765 53.1602 44.9534 175.0720 42 G 4.5460 9.3079 114.3063 44.6806 0.0000 171.9611 43 I 5.0758 8.8956 126.9360 60.7744 39.0531 174.6971 44 H 4.2143 9.7100 127.0020 54.4326 31.3670 175.8632 45 K 3.7951 7.6227 123.8155 60.1932 32.1780 178.6598 46 N 4.7878 7.9886 115.3188 52.7791 39.0783 174.7243 47 D 4.9605 7.4982 118.7350 53.5556 41.9478 177.4332 48 T 4.5802 8.9626 115.7563 60.6612 71.5002 174.7222 49 W 4.4686 8.9810 128.7146 60.7602 30.5764 178.5354 50 E 3.9643 8.5211 118.5288 59.7035 28.8918 179.0097 51 D 4.2687 7.8128 117.8596 57.2951 40.9248 178.2151 52 A 3.7983 7.4703 120.8679 55.3833 18.2385 179.2370 53 L 3.3677 7.3684 117.3393 58.2086 41.6304 179.0229 54 Y 3.8318 7.6152 118.5728 60.9085 38.6194 178.0210 55 I 3.7318 7.7718 120.3613 65.2706 37.3133 177.8592 56 I 3.3699 7.8193 120.5626 63.4645 36.5705 178.1625 57 R 3.7334 8.4266 119.4867 59.7249 30.0059 178.9610 58 K 3.8427 8.0518 117.9898 59.8050 31.9368 178.9447 59 C 4.0866 8.1020 115.8503 62.9102 28.1806 175.7573 60 L 4.3746 7.8990 118.2351 55.4482 41.7644 176.9903 61 N 4.9080 7.5148 113.4809 52.4790 40.7537 174.8948 62 L 3.9284 8.1790 119.2290 55.4257 41.9416 177.8925 63 R 4.5656 8.5053 123.2995 55.0630 28.8944 176.0088 64 L 4.9975 8.2034 119.2659 53.7232 42.5356 176.3615 65 W 4.7606 7.9072 118.7036 54.3989 32.4743 175.2015 66 N 4.7575 8.4492 119.4388 54.0019 39.1569 174.3189 67 N 5.0798 8.9273 116.9764 54.4293 39.0250 175.8289 68 D 4.0463 8.8586 111.1051 56.5803 39.5082 170.8275 69 N 4.7484 8.7720 125.2082 53.3203 37.1660 174.4056 70 K 4.5457 7.8187 117.1437 54.5059 33.8098 176.4196 71 T 4.5123 8.2916 113.2620 61.0073 70.1553 173.9455 72 W 4.0154 7.6184 119.4418 57.3229 26.5584 173.9350 73 D 4.8117 8.5835 116.1647 54.5560 43.5987 175.6936 74 K 4.8361 8.0095 116.9072 54.3995 35.2953 174.8197 75 N 5.6554 9.1665 119.4062 50.7949 39.9376 176.0948 76 V 3.3914 8.9019 111.4643 64.7978 32.0959 179.2852 77 K 3.4518 8.0155 118.2362 59.5283 32.2298 178.5640 78 D 4.2911 8.3742 117.7162 57.3820 40.6798 177.9818 79 L 4.0547 7.2486 114.6669 53.4719 41.6177 176.0719 80 N 4.6955 7.5163 114.4024 53.3189 36.6616 173.8498 81 Y 4.8280 7.6949 115.2541 57.7150 39.9370 175.0450 82 E 5.1000 8.9665 118.5496 54.9258 33.3192 175.5744 83 L 5.0486 8.5631 121.8448 52.9508 45.0866 175.3262 84 L 4.6188 8.9912 127.3702 53.7683 43.1626 174.9955 85 I 4.6910 8.1654 128.6319 59.9009 38.9923 175.2195 86 V 4.6333 8.5776 127.2725 60.7561 34.3556 174.5794 87 S 4.8003 8.8865 123.2397 58.8113 63.2804 174.2527 88 Q 4.4790 9.7601 126.2247 53.3814 29.3613 175.3649 89 F 4.5088 8.6617 118.8990 59.7449 38.4033 178.6846 90 T 4.0289 6.9018 110.9090 64.2513 68.4583 175.4537 91 L 4.2091 7.7585 120.1298 56.0538 41.4093 177.2451 92 F 4.7742 8.1915 116.6678 56.8038 39.9955 175.5023 93 G 3.4836 8.3744 110.6788 45.6062 0.0000 172.9262 94 N 4.5165 8.8003 126.2770 53.1124 39.4638 175.4771 95 T 4.5236 8.3640 115.8094 61.7788 69.8977 175.7316 96 K 4.0387 8.3046 126.2081 57.8797 31.4303 183.2460 97 K 4.0590 7.3934 118.8352 56.3108 31.9603 184.6628 98 G 4.1107 7.2688 107.8451 45.4662 0.0000 172.7634 99 N 4.4469 8.9318 118.6385 55.1980 38.9391 175.6863 100 K 4.4735 7.2332 117.9495 52.3862 32.9275 180.0156 101 P 5.1544 0.0000 0.0000 60.0158 32.9493 174.8962 102 D 4.6296 7.9012 119.2636 51.7895 41.8137 176.2909 103 F 5.0492 8.1733 117.4850 57.6576 40.2499 176.8719 104 H 4.2273 7.9772 120.1968 58.9864 28.5873 176.6767 105 L 3.9310 8.0544 119.5545 56.4749 42.3140 175.4409 106 A 4.2377 7.8734 121.0121 50.2579 20.1017 177.1437 107 K 3.8905 7.9790 124.0128 56.8980 32.8740 176.4924 108 E 4.2699 8.8034 124.8630 55.4837 30.4867 176.0527 109 P 4.5905 0.0000 0.0000 65.3659 30.1174 178.6114 110 N 4.2182 7.9977 115.3834 56.4103 38.8538 176.9342 111 E 4.2531 8.3031 118.9730 58.6093 29.6893 178.8149 112 A 4.1339 7.9271 121.1181 55.2113 18.5727 179.2827 113 L 2.7212 6.8240 118.1894 58.0681 41.7642 179.3441 114 I 3.7350 7.0988 117.0780 64.3969 37.1075 178.2625 115 F 4.3412 8.8814 121.6367 61.0071 39.0714 176.5445 116 Y 4.2949 8.1891 119.6602 60.6333 38.7707 177.0874 117 N 4.3792 8.3098 116.9567 55.8041 38.7707 177.3975 118 K 4.1082 7.8114 119.7420 58.7219 32.1915 179.4993 119 I 3.6522 7.3336 119.0889 64.4826 36.9050 178.5207 120 I 3.9462 7.8923 120.6081 64.1462 36.7882 178.3333 121 D 4.3871 7.9130 119.8730 57.2673 40.6199 178.1273 122 E 4.1491 8.2752 119.2016 58.6968 29.6801 178.6402 123 F 4.3191 8.1997 118.2331 60.5411 37.9749 177.7376 124 K 4.0612 8.0191 118.1200 59.1360 31.6342 179.4328 125 K 3.9952 7.9961 118.9462 59.6762 32.2617 178.7397 126 Q 4.1651 8.2464 117.2530 57.7445 29.3925 176.5342 127 Y 4.1843 8.6674 121.4802 58.3624 37.6595 175.9075 128 N 4.4084 5.7700 108.7212 52.8906 43.2101 173.6939 129 D 4.5574 8.7908 125.1512 54.6849 40.0225 176.7705 130 D 4.3438 8.3677 120.2102 56.7235 41.5195 176.7351 131 K 4.1912 7.7901 116.7817 56.2072 32.2920 175.5414 132 I 4.5480 7.4301 120.3687 59.7456 38.7128 175.1863 133 K 4.7242 8.4402 126.6571 54.8421 35.1045 175.2922 134 I 5.1972 7.4809 113.9389 59.1612 41.2640 173.8329 135 G 4.1743 8.3113 110.8158 45.5106 0.0000 173.4877 136 K 4.6077 8.3438 121.9387 52.6365 32.4182 172.5007 137 F 3.6490 9.1227 128.0439 60.3504 39.4585 176.8371 138 G 3.7314 8.2430 107.9036 48.7096 0.0000 173.7330 139 N 4.6048 7.3253 117.0766 51.9285 39.2279 174.5559 140 Y 4.1174 8.5206 121.4916 58.1792 39.2657 175.0066 141 M 4.7272 7.8211 126.1834 53.4668 35.1364 174.7285 142 N 4.7368 9.2854 120.5566 51.8821 41.8766 173.1762 143 I 4.8340 8.2879 126.7759 59.5189 39.9756 174.9970 144 D 4.6237 8.8420 128.8405 53.7903 41.8206 175.9193 145 V 4.7095 8.3365 123.5527 61.3020 34.4164 174.7665 146 T 4.3850 8.8063 125.5223 62.6850 69.4727 173.6776 147 N 4.9838 8.7511 124.8719 52.6998 39.8003 174.9358 148 D 4.3405 10.6100 125.6408 55.0108 40.8699 174.1720 149 G 3.8153 8.6923 118.6931 44.6313 0.0000 170.0618 150 P 4.3965 0.0000 0.0000 61.3834 32.8628 175.7798 151 V 4.4632 8.1824 118.2764 61.5645 34.2073 174.0214 152 T 5.2615 8.7032 124.1957 61.8425 71.2083 173.6583 153 I 4.6820 8.7654 125.9228 59.5698 41.1146 173.6424 154 Y 5.2376 8.7255 126.7357 55.8829 41.3490 174.6433 155 I 4.3917 7.8356 126.3479 59.4469 41.0264 173.5905 156 D 5.0555 8.3358 127.1689 52.4258 42.4349 175.6800 157 T 3.6993 8.7650 117.7185 65.1916 69.3134 176.1558 158 H 4.3392 7.8102 115.9098 57.0742 28.8795 174.7322 159 D 4.6594 8.8371 122.6062 52.5663 41.7459 177.2554 160 I 3.5781 8.4911 120.8932 59.5538 36.0954 169.7936 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 8.16 5.13 0.00 1.73 2.03 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 8.84 4.90 0.00 1.35 1.60 0.00 2.21 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 3 V 8.37 5.00 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 0.64 0.00 0.00 1.06 0.00 0.00 4 V 9.28 4.65 2.31 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 1.11 0.00 0.00 1.11 0.00 0.00 5 I 8.88 4.86 1.89 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 1.26 0.65 0.92 0.00 0.00 6 Q 9.28 5.79 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.26 0.00 7 R 8.53 4.68 0.00 1.74 1.91 0.00 2.21 0.00 0.00 2.71 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.55 0.00 8 V 9.45 4.99 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 0.89 0.00 0.00 1.01 0.00 0.00 9 K 8.91 4.06 0.00 1.67 1.84 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.55 7.81 10 G 7.53 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 0.00 0.00 0.00 0.00 11 A 8.44 5.20 1.16 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 0.00 0.00 12 I 8.93 4.57 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 1.10 0.80 0.91 0.00 0.00 13 L 8.71 4.97 0.00 1.70 1.63 0.93 0.61 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 14 S 9.02 5.14 0.00 3.75 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.92 4.52 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 0.73 0.00 0.00 0.96 0.00 0.00 16 R 8.48 4.18 0.00 1.89 1.94 0.00 3.13 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.84 0.00 *27 L 8.22 4.61 0.00 1.58 1.67 0.96 1.06 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 28 E 9.21 4.51 0.00 2.01 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 2.21 2.31 0.00 29 I 8.30 4.05 1.88 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 1.40 0.53 0.91 0.00 0.00 30 I 9.01 4.67 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.55 0.96 0.00 0.00 31 S 7.91 4.80 0.00 3.75 3.71 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 32 E 8.57 5.26 0.00 1.91 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 2.28 2.30 0.00 33 I 8.87 4.91 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.04 0.88 0.00 0.00 34 K 9.82 5.09 0.00 1.60 1.06 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.49 7.81 35 N 8.61 4.28 0.00 1.96 1.42 0.00 0.00 6.76 7.58 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 36 G 6.83 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 0.00 0.00 0.00 37 L 8.84 5.34 0.00 1.61 1.57 1.06 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.65 4.52 1.75 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.55 0.92 0.00 0.00 39 C 8.81 5.16 0.00 2.73 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 40 F 9.52 5.03 0.00 2.95 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 41 L 9.33 5.22 0.00 1.85 1.74 1.18 1.46 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 42 G 9.31 4.55 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 43 I 8.90 5.08 2.20 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 1.18 0.00 0.00 44 H 9.71 4.21 0.00 3.22 3.40 0.00 5.61 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.62 3.80 0.00 1.74 1.81 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 1.22 7.81 46 N 7.99 4.79 0.00 2.78 2.87 0.00 0.00 6.88 8.06 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 47 D 7.50 4.96 0.00 2.76 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 48 T 8.96 4.58 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 1.28 0.00 0.00 49 W 8.98 4.47 0.00 3.44 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 50 E 8.52 3.96 0.00 2.07 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 2.52 2.44 0.00 51 D 7.81 4.27 0.00 2.66 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 52 A 7.47 3.80 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.37 3.37 0.00 1.60 1.56 0.39 0.21 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 54 Y 7.62 3.83 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 55 I 7.77 3.73 1.99 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 1.74 0.87 0.98 0.00 0.00 56 I 7.82 3.37 1.54 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.19 0.35 0.00 0.00 57 R 8.43 3.73 0.00 1.65 1.84 0.00 2.99 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 58 K 8.05 3.84 0.00 1.86 1.71 0.00 1.58 0.00 0.00 1.40 0.00 0.00 2.39 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.80 1.10 7.81 59 C 8.10 4.09 0.00 3.44 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 60 L 7.90 4.37 0.00 1.62 1.64 1.06 1.06 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 61 N 7.51 4.91 0.00 2.66 2.76 0.00 0.00 6.98 7.72 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 62 L 8.18 3.93 0.00 1.68 1.63 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.51 4.57 0.00 1.97 2.06 0.00 3.11 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.90 0.00 64 L 8.20 5.00 0.00 0.70 1.22 0.77 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 65 W 7.91 4.76 0.00 3.58 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 66 N 8.45 4.76 0.00 2.70 2.68 0.00 0.00 6.51 6.92 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 67 N 8.93 5.08 0.00 2.56 2.76 0.00 0.00 7.34 8.45 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 68 D 8.86 4.05 0.00 2.73 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 69 N 8.77 4.75 0.00 2.78 3.20 0.00 0.00 7.16 6.68 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 70 K 7.82 4.55 0.00 1.85 1.72 0.00 2.02 0.00 0.00 1.89 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.40 7.81 71 T 8.29 4.51 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 72 W 7.62 4.02 0.00 3.43 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 73 D 8.58 4.81 0.00 2.81 2.65 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 74 K 8.01 4.84 0.00 1.86 1.63 0.00 1.91 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.27 7.81 75 N 9.17 5.66 0.00 2.99 3.21 0.00 0.00 7.04 7.46 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 76 V 8.90 3.39 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.10 0.00 0.00 77 K 8.02 3.45 0.00 1.87 1.70 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.59 1.17 7.81 78 D 8.37 4.29 0.00 2.74 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 79 L 7.25 4.05 0.00 0.27 0.38 0.14 0.81 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 80 N 7.52 4.70 0.00 2.80 2.90 0.00 0.00 7.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 7.69 4.83 0.00 2.60 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 82 E 8.97 5.10 0.00 1.89 1.81 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 2.22 2.27 0.00 83 L 8.56 5.05 0.00 1.41 1.31 1.05 0.52 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 84 L 8.99 4.62 0.00 1.65 1.45 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.17 4.69 1.84 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.51 0.99 0.00 0.00 86 V 8.58 4.63 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 1.04 0.00 0.00 0.77 0.00 0.00 87 S 8.89 4.80 0.00 3.78 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 9.76 4.48 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.51 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 89 F 8.66 4.51 0.00 3.36 3.41 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 90 T 6.90 4.03 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 0.27 0.00 0.00 91 L 7.76 4.21 0.00 1.51 1.63 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.19 4.77 0.00 3.49 3.17 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 93 G 8.37 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 0.00 0.00 0.00 94 N 8.80 4.52 0.00 2.85 2.66 0.00 0.00 6.43 6.75 0.00 0.00 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 T 8.36 4.52 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 1.17 0.00 0.00 96 K 8.30 4.04 0.00 1.80 1.77 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.00 7.81 97 K 7.39 4.06 0.00 1.77 1.59 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.01 7.81 98 G 7.27 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 0.00 0.00 0.00 99 N 8.93 4.45 0.00 2.73 2.88 0.00 0.00 6.59 7.61 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 0.00 100 K 7.23 4.47 0.00 1.82 1.59 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.33 1.23 7.81 101 P 0.00 5.15 0.00 1.54 1.92 0.00 3.37 0.00 0.00 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.95 0.00 102 D 7.90 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 0.00 103 F 8.17 5.05 0.00 3.14 3.29 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 0.00 104 H 7.98 4.23 0.00 3.17 3.38 0.00 5.85 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 0.00 105 L 8.05 3.93 0.00 1.80 1.73 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.87 4.24 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 0.00 107 K 7.98 3.89 0.00 1.79 1.77 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.65 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.46 1.35 7.81 108 E 8.80 4.27 0.00 2.03 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 0.00 2.36 2.28 0.00 109 P 0.00 4.59 0.00 2.21 2.32 0.00 3.54 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 110 N 8.00 4.22 0.00 2.99 2.84 0.00 0.00 7.16 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 0.00 111 E 8.30 4.25 0.00 2.03 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 2.30 2.50 0.00 112 A 7.93 4.13 1.64 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 0.00 0.00 113 L 6.82 2.72 0.00 0.56 1.32 0.79 0.93 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 0.00 114 I 7.10 3.74 2.01 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 1.41 0.58 0.96 0.00 0.00 115 F 8.88 4.34 0.00 3.15 3.34 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 0.00 116 Y 8.19 4.29 0.00 3.24 3.09 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 0.00 117 N 8.31 4.38 0.00 2.97 2.88 0.00 0.00 7.03 6.23 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 0.00 118 K 7.81 4.11 0.00 1.68 1.54 0.00 1.55 0.00 0.00 1.34 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.67 7.81 119 I 7.33 3.65 1.91 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.67 0.84 0.00 0.00 120 I 7.89 3.95 1.80 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.52 0.90 0.00 0.00 121 D 7.91 4.39 0.00 2.96 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.28 4.15 0.00 2.43 1.82 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 2.08 2.25 0.00 123 F 8.20 4.32 0.00 3.27 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 0.00 124 K 8.02 4.06 0.00 1.99 1.88 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.67 7.81 125 K 8.00 4.00 0.00 2.06 1.96 0.00 1.90 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.51 7.81 126 Q 8.25 4.17 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 127 Y 8.67 4.18 0.00 3.04 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 0.00 128 N 5.77 4.41 0.00 2.36 1.46 0.00 0.00 7.25 8.37 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 0.00 129 D 8.79 4.56 0.00 2.79 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 0.00 130 D 8.37 4.34 0.00 2.55 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 7.79 4.19 0.00 1.24 1.90 0.00 1.93 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.09 1.00 7.81 132 I 7.43 4.55 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.93 0.81 0.00 0.00 133 K 8.44 4.72 0.00 1.64 1.70 0.00 1.61 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.64 7.81 134 I 7.48 5.20 2.13 0.00 0.00 1.00 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 1.44 0.96 0.00 0.00 135 G 8.31 4.17 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 0.00 136 K 8.34 4.61 0.00 1.69 1.72 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 0.97 7.81 137 F 9.12 3.65 0.00 2.68 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 0.00 138 G 8.24 3.73 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 0.00 0.00 0.00 139 N 7.33 4.60 0.00 2.72 2.83 0.00 0.00 7.11 7.34 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 0.00 140 Y 8.52 4.12 0.00 2.91 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 0.00 141 M 7.82 4.73 0.00 1.78 1.77 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 142 N 9.29 4.74 0.00 2.75 2.62 0.00 0.00 7.15 6.01 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 0.00 143 I 8.29 4.83 1.92 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.76 0.96 0.00 0.00 144 D 8.84 4.62 0.00 2.70 2.61 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 0.00 145 V 8.34 4.71 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 0.92 0.00 0.00 0.99 0.00 0.00 146 T 8.81 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 1.21 0.00 0.00 147 N 8.75 4.98 0.00 2.63 2.78 0.00 0.00 6.97 8.06 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 0.00 148 D 10.61 4.34 0.00 2.70 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 0.00 149 G 8.69 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 0.00 0.00 0.00 150 P 0.00 4.40 0.00 2.22 2.08 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 151 V 8.18 4.46 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 1.12 0.00 0.00 1.00 0.00 0.00 152 T 8.70 5.26 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 1.27 0.00 0.00 153 I 8.77 4.68 1.88 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.07 0.90 0.00 0.00 154 Y 8.73 5.24 0.00 2.92 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 0.00 155 I 7.84 4.39 1.80 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.85 1.04 0.00 0.00 156 D 8.34 5.06 0.00 2.64 2.56 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 0.00 157 T 8.76 3.70 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 1.12 0.00 0.00 158 H 7.81 4.34 0.00 3.22 3.37 0.00 5.66 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 8.84 4.66 0.00 2.75 2.60 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 0.00 160 I 8.49 3.58 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 1.27 0.42 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.