NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 S 4.4750 8.1814 115.4198 57.7363 64.6095 174.3710 18 G 3.4099 8.5148 107.4048 46.8659 0.0000 174.2105 19 L 3.9359 8.0317 122.4355 57.9748 42.6508 176.9227 20 E 3.9671 8.1351 119.1745 59.3723 29.5088 178.4506 21 D 4.3461 8.3126 118.9724 57.4738 40.9424 179.0258 22 K 3.9985 8.3700 119.2449 59.3325 31.9969 179.6936 23 V 3.5533 7.9023 118.7044 65.7717 31.3594 177.9847 24 S 3.7399 8.4192 113.3830 61.2363 62.1929 176.0900 25 K 3.9081 8.3698 122.6731 59.3623 32.0403 178.4212 26 Q 3.9342 8.0386 119.8119 59.2641 29.0177 178.4648 27 L 4.0786 7.8257 119.7915 57.7866 41.6615 179.2589 28 E 4.1452 8.5952 119.0982 59.6232 29.2942 179.6918 29 S 4.4503 8.1565 112.4758 60.4490 63.0167 175.2774 30 K 4.4122 7.4359 120.2088 55.2767 32.2925 176.2287 31 G 3.9243 8.3896 105.9771 47.1798 0.0000 173.7782 32 I 3.9763 7.9901 123.3361 61.4029 37.5790 178.1905 33 K 4.2309 8.4962 128.3615 53.2618 30.0704 173.1225 34 F 4.9592 7.6858 119.8671 55.1384 40.1959 175.7922 35 E 4.6372 8.8180 120.3340 54.6971 31.4345 175.1160 36 Y 4.7432 8.7397 124.2181 56.8075 39.5925 174.6846 37 E 3.6761 8.4727 127.5149 57.2216 27.3091 175.6910 38 E 3.9385 8.2509 119.5756 56.8941 30.3121 175.9637 39 W 4.9118 7.9352 117.5134 54.3415 32.2043 174.5112 40 K 4.6158 8.7686 120.9372 54.9415 34.4009 175.7149 41 V 4.2597 8.2632 121.1573 60.6966 32.0808 173.5637 42 P 4.6564 0.0000 0.0000 62.4746 32.0746 175.1865 43 Y 4.8757 7.8236 118.2280 55.9516 40.7917 173.8746 44 V 4.1833 8.2998 119.6337 60.9675 33.7437 174.7069 45 I 4.2932 8.1225 127.9802 59.2847 37.6096 174.1005 46 P 4.3738 0.0000 0.0000 62.0074 31.8625 176.2493 47 A 4.2421 8.3047 123.1669 52.5341 18.9202 177.1398 48 S 4.7424 8.1505 112.9641 56.6570 66.3173 173.1083 49 N 4.9063 8.3863 118.4884 52.4452 39.9256 174.1129 50 H 4.9057 8.2782 117.6832 55.0182 33.1727 172.6054 51 T 4.7360 8.2275 109.3882 60.0649 71.4577 172.5269 52 Y 4.7165 8.5590 123.9293 56.1129 41.0117 175.1677 53 T 4.2105 7.7447 123.5534 60.6610 69.1512 172.0629 54 P 4.0831 0.0000 0.0000 62.5062 32.0665 176.9735 55 D 4.3210 8.7030 121.7286 56.7368 41.2564 176.9644 56 F 4.8589 8.9231 116.5696 55.3693 42.8235 173.4697 57 L 4.6718 8.4710 124.6472 53.0758 43.9195 176.1030 58 L 4.4173 8.8026 126.8545 53.2873 42.5967 176.2856 59 P 4.2380 0.0000 0.0000 65.7130 31.4700 176.9335 60 N 4.6160 8.1883 113.8508 52.6935 37.3191 176.3675 61 G 3.8642 8.3898 106.8754 45.5775 0.0000 173.6190 62 I 4.1667 7.4140 121.3305 60.3737 38.7071 174.8943 63 F 5.1362 9.3226 125.8568 56.1759 41.3296 175.0933 64 V 4.9790 9.4428 122.2517 61.1398 34.8325 173.8441 65 K 5.0587 9.2132 129.3109 54.8625 34.6849 174.6738 66 T 5.0085 9.5085 117.5781 60.4456 70.8973 174.2411 67 K 4.5355 8.6723 122.4366 55.8838 37.0224 174.5747 68 G 3.8928 9.0639 112.3228 45.6776 0.0000 176.6642 69 L 4.4300 9.2219 119.9101 54.9024 43.1004 175.5881 70 W 5.0421 9.2424 134.6072 54.1158 30.6753 175.1400 71 E 4.0949 8.2698 122.3043 55.8415 31.2628 176.9973 72 S 3.8130 8.5005 115.1151 61.7290 62.3644 176.4597 73 D 4.2979 7.8638 121.1214 57.2988 40.6049 178.2626 74 D 4.3683 7.6915 119.0392 57.2123 40.9058 178.8417 75 R 3.2582 7.2677 118.6554 58.6489 29.8337 179.1397 76 K 3.8536 7.7481 118.2414 59.5466 32.0584 179.4204 77 K 3.8447 7.8960 118.5897 59.6646 31.8676 178.8250 78 H 3.7793 8.2740 118.3770 59.3264 29.8331 177.4129 79 L 4.0315 8.0166 120.6567 57.4995 41.2913 179.6351 80 L 3.9216 7.7467 119.1329 57.9425 41.5646 179.4852 81 I 3.6496 7.7744 119.8354 64.5157 36.7023 177.9943 82 R 3.8181 7.7920 118.7576 59.4486 29.9548 177.4816 83 E 4.0107 8.5273 119.5607 59.5535 29.7556 178.7115 84 Q 4.2354 8.1088 115.9483 56.8738 30.3787 175.5481 85 H 5.7860 8.2002 116.2496 52.6534 29.3287 172.9223 86 P 4.4220 0.0000 0.0000 65.4252 31.9291 178.0522 87 E 4.1894 8.1623 116.3191 57.3876 29.9226 175.9948 88 L 4.6945 8.0361 119.6819 53.2314 43.3667 175.9435 89 D 4.7488 8.5639 122.5335 53.0067 41.9256 174.0927 90 I 5.1063 8.2049 125.7868 59.4596 39.5499 175.2082 91 R 4.9201 9.1598 125.0713 54.3624 34.7778 174.2722 92 I 4.8753 8.6886 119.9405 59.5659 41.1650 175.0741 93 V 4.6759 8.5511 126.4673 61.4354 33.3463 174.8377 94 F 5.1446 9.0660 127.3432 56.4103 40.8334 177.5292 95 S 4.3142 8.8582 117.3340 61.6640 63.2920 175.6515 96 S 4.7178 7.9552 113.0244 57.4571 64.9505 173.7230 97 S 3.9908 9.5179 122.0741 58.7434 63.3383 176.1052 98 R 3.9164 7.7144 120.6671 58.7066 30.3455 177.3381 99 T 3.6032 7.4452 114.3730 63.7255 68.7997 173.5074 100 K 4.3826 7.9745 124.1825 55.6000 32.9968 177.1285 101 L 4.2642 8.1490 122.8403 58.2365 41.9560 177.4135 102 Y 4.5864 7.5948 114.9882 57.2779 40.0506 177.0489 103 K 4.1937 7.7652 116.1799 54.8627 33.9635 176.0487 104 G 4.1321 8.5445 104.5992 46.1139 0.0000 173.5489 105 S 4.2466 8.2185 114.8766 56.3300 63.0313 172.2635 106 P 4.4311 0.0000 0.0000 63.9214 32.2067 175.7864 107 T 4.4006 7.4286 115.0050 60.9784 68.2663 174.0570 108 S 4.9960 8.5065 123.6033 56.7407 66.4779 174.9017 109 Y 4.5873 8.2462 120.0315 61.4776 37.4461 179.5246 110 G 2.9161 7.9080 106.2601 47.6987 0.0000 175.5370 111 E 4.2161 7.8804 120.6510 58.8983 29.4709 179.1227 112 F 4.0538 8.5563 120.9352 61.7162 39.5339 176.9982 113 C 4.3783 8.7293 116.6484 62.8155 27.9903 176.0155 114 E 4.0773 8.6034 120.6034 59.4085 28.9174 179.1134 115 K 3.8054 8.1718 118.4985 59.5152 32.2145 177.4780 116 H 4.7461 7.5918 112.9593 54.7705 28.8241 175.4062 117 G 3.9365 7.6583 108.0276 46.4807 0.0000 173.6612 118 I 4.3515 8.2378 120.9395 60.0589 38.2679 176.0183 119 K 4.6235 8.7549 126.8598 56.2388 33.3448 175.9718 120 F 5.8151 8.5879 117.9499 56.4900 41.5081 172.2041 121 A 4.5241 9.1818 119.9574 51.5159 22.9358 174.5671 122 D 5.3364 8.3533 117.6341 53.9014 43.5549 177.0135 123 K 4.0827 9.4643 125.7731 57.5041 31.3896 175.9447 124 L 4.7176 7.1213 113.8521 52.4712 45.6961 176.0470 125 I 3.5210 7.8939 121.1586 60.0312 37.6591 174.8133 126 P 4.0118 0.0000 0.0000 62.2185 31.8908 177.2580 127 A 3.9684 8.5099 123.4632 55.4745 18.0804 179.9506 128 E 3.9798 8.1315 115.5426 59.3934 29.9018 179.3271 129 W 4.6449 8.0010 118.4389 60.0925 28.9951 178.7292 130 I 3.9352 8.0479 120.0228 64.3510 36.6623 178.2744 131 K 4.3044 7.5830 122.5077 56.5634 32.1944 181.4653 132 E 4.3269 7.1977 117.0509 56.3545 30.0187 175.2299 133 P 4.2591 0.0000 0.0000 62.4915 31.8165 176.4480 134 K 4.2893 8.6564 124.9230 56.7430 32.6701 175.6785 135 K 4.8043 8.7955 127.5167 55.4842 35.9207 175.9060 136 E 4.3610 8.7298 119.3076 56.0917 30.6778 177.0954 137 V 4.0933 8.3622 124.9096 59.5759 32.8385 175.0575 138 P 4.6891 0.0000 0.0000 61.9386 29.3098 176.7512 139 F 4.2516 8.3935 124.9919 60.6848 39.5936 177.5073 140 D 4.4496 8.2107 119.6837 56.2590 39.3684 177.3172 141 R 4.2997 8.0598 116.1559 56.3165 30.1885 175.8317 142 L 4.8230 7.7317 120.1275 53.3152 44.8848 176.4277 143 K 4.6417 8.3368 120.9915 52.8739 34.5264 176.8851 144 R 4.5029 8.3839 123.0840 55.6316 31.9740 177.1541 145 K 4.2229 8.3688 120.1684 54.6023 31.8962 174.6078 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 17 S 8.18 4.48 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 18 G 8.51 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 0.00 0.00 0.00 19 L 8.03 3.94 0.00 1.77 1.68 0.91 0.86 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 20 E 8.14 3.97 0.00 2.15 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 0.00 2.49 2.47 0.00 21 D 8.31 4.35 0.00 2.89 2.69 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 22 K 8.37 4.00 0.00 1.88 1.84 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.72 7.81 23 V 7.90 3.55 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 0.89 0.00 0.00 0.95 0.00 0.00 24 S 8.42 3.74 0.00 3.95 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.37 3.91 0.00 1.94 1.91 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.45 7.81 26 Q 8.04 3.93 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 27 L 7.83 4.08 0.00 1.59 1.74 0.31 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.60 4.15 0.00 2.25 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 2.46 2.75 0.00 29 S 8.16 4.45 0.00 4.03 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.44 4.41 0.00 2.05 1.88 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.49 7.81 31 G 8.39 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 32 I 7.99 3.98 2.06 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 1.22 0.90 1.04 0.00 0.00 33 K 8.50 4.23 0.00 1.77 1.63 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 0.99 7.81 34 F 7.69 4.96 0.00 3.20 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 35 E 8.82 4.64 0.00 2.23 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 2.31 2.41 0.00 36 Y 8.74 4.74 0.00 3.19 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 37 E 8.47 3.68 0.00 1.64 1.72 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 1.83 1.47 0.00 38 E 8.25 3.94 0.00 1.80 1.78 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 2.16 1.47 0.00 39 W 7.94 4.91 0.00 3.33 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.77 4.62 0.00 1.89 1.80 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.43 7.81 41 V 8.26 4.26 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 0.89 0.00 0.00 0.98 0.00 0.00 42 P 0.00 4.66 0.00 2.12 1.97 0.00 3.81 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 43 Y 7.82 4.88 0.00 3.04 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 44 V 8.30 4.18 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 0.86 0.00 0.00 0.91 0.00 0.00 45 I 8.12 4.29 1.86 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.66 0.95 0.00 0.00 46 P 0.00 4.37 0.00 2.05 2.00 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 47 A 8.30 4.24 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 48 S 8.15 4.74 0.00 3.91 3.81 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 49 N 8.39 4.91 0.00 2.68 2.75 0.00 0.00 6.74 8.16 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 50 H 8.28 4.91 0.00 3.07 3.22 0.00 5.84 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.23 4.74 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 1.23 0.00 0.00 52 Y 8.56 4.72 0.00 2.74 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 53 T 7.74 4.21 4.08 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 1.11 0.00 0.00 54 P 0.00 4.08 0.00 2.25 2.13 0.00 3.46 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.95 0.00 55 D 8.70 4.32 0.00 3.01 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.92 4.86 0.00 3.05 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 57 L 8.47 4.67 0.00 1.34 1.48 -0.19 0.96 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 58 L 8.80 4.42 0.00 1.90 1.70 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.24 0.00 2.04 2.14 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 60 N 8.19 4.62 0.00 2.86 3.02 0.00 0.00 6.35 6.93 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 61 G 8.39 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 0.00 0.00 0.00 62 I 7.41 4.17 1.80 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.64 0.72 0.00 0.00 63 F 9.32 5.14 0.00 3.19 2.95 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 64 V 9.44 4.98 2.27 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 1.16 0.00 0.00 1.13 0.00 0.00 65 K 9.21 5.06 0.00 2.00 1.68 0.00 1.76 0.00 0.00 1.44 0.00 0.00 2.91 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.52 1.41 7.81 66 T 9.51 5.01 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 1.41 0.00 0.00 67 K 8.67 4.54 0.00 1.22 1.62 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.17 1.08 7.81 68 G 9.06 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 0.00 0.00 0.00 69 L 9.22 4.43 0.00 1.73 1.72 1.10 1.01 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 70 W 9.24 5.04 0.00 2.64 1.79 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 71 E 8.27 4.09 0.00 1.98 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 2.46 2.35 0.00 72 S 8.50 3.81 0.00 3.79 3.77 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 73 D 7.86 4.30 0.00 2.67 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 D 7.69 4.37 0.00 2.73 2.68 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 75 R 7.27 3.26 0.00 1.33 1.07 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 76 K 7.75 3.85 0.00 1.90 1.79 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.72 7.81 77 K 7.90 3.84 0.00 1.87 1.75 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.56 7.81 78 H 8.27 3.78 0.00 3.58 3.58 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.02 4.03 0.00 1.88 1.68 0.79 0.62 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 80 L 7.75 3.92 0.00 1.86 1.66 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.77 3.65 1.74 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 1.28 0.68 0.75 0.00 0.00 82 R 7.79 3.82 0.00 1.95 2.15 0.00 3.37 0.00 0.00 3.23 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 83 E 8.53 4.01 0.00 2.05 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 0.00 2.31 2.50 0.00 84 Q 8.11 4.24 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.13 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 85 H 8.20 5.79 0.00 3.20 3.13 0.00 5.65 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 86 P 0.00 4.42 0.00 2.02 2.13 0.00 3.65 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.24 0.00 87 E 8.16 4.19 0.00 2.08 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 0.00 2.40 2.39 0.00 88 L 8.04 4.69 0.00 1.61 1.54 0.64 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.56 4.75 0.00 2.70 2.57 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 90 I 8.20 5.11 1.93 0.00 0.00 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 1.36 0.77 1.11 0.00 0.00 91 R 9.16 4.92 0.00 1.36 1.56 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.37 0.00 92 I 8.69 4.88 1.36 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.82 -0.60 0.00 0.00 93 V 8.55 4.68 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 0.92 0.00 0.00 0.92 0.00 0.00 94 F 9.07 5.14 0.00 3.15 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 95 S 8.86 4.31 0.00 3.90 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 96 S 7.96 4.72 0.00 3.80 3.70 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 97 S 9.52 3.99 0.00 3.76 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 0.00 98 R 7.71 3.92 0.00 1.77 1.95 0.00 3.17 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 99 T 7.45 3.60 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 0.85 0.00 0.00 100 K 7.97 4.38 0.00 1.58 1.59 0.00 1.79 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.34 7.81 101 L 8.15 4.26 0.00 1.24 1.73 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.59 4.59 0.00 3.10 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 0.00 103 K 7.77 4.19 0.00 1.84 1.64 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.06 7.81 104 G 8.54 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.22 4.25 0.00 2.72 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 0.00 106 P 0.00 4.43 0.00 2.18 2.12 0.00 3.67 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.92 0.00 107 T 7.43 4.40 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 1.14 0.00 0.00 108 S 8.51 5.00 0.00 4.17 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Y 8.25 4.59 0.00 2.58 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 G 7.91 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 0.00 0.00 0.00 111 E 7.88 4.22 0.00 2.21 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 2.36 2.33 0.00 112 F 8.56 4.05 0.00 3.24 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.73 4.38 0.00 2.76 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 0.00 114 E 8.60 4.08 0.00 2.32 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.64 0.00 115 K 8.17 3.81 0.00 1.55 1.68 0.00 1.67 0.00 0.00 1.43 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.99 1.32 7.81 116 H 7.59 4.75 0.00 3.03 3.19 0.00 5.81 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.66 3.94 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 0.00 0.00 0.00 118 I 8.24 4.35 2.10 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.76 1.04 0.00 0.00 119 K 8.75 4.62 0.00 1.53 1.60 0.00 1.44 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.42 7.81 120 F 8.59 5.82 0.00 3.46 3.25 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 0.00 121 A 9.18 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.35 5.34 0.00 2.57 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 0.00 123 K 9.46 4.08 0.00 1.82 1.90 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.41 7.81 124 L 7.12 4.72 0.00 1.43 1.37 0.84 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 125 I 7.89 3.52 1.72 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.28 0.97 0.00 0.00 126 P 0.00 4.01 0.00 1.24 1.74 0.00 2.20 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 0.71 1.42 0.00 127 A 8.51 3.97 1.27 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 0.00 128 E 8.13 3.98 0.00 2.04 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 0.00 2.33 2.47 0.00 129 W 8.00 4.64 0.00 3.52 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 0.00 130 I 8.05 3.94 2.02 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 1.55 0.67 0.93 0.00 0.00 131 K 7.58 4.30 0.00 1.80 1.71 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.34 7.81 132 E 7.20 4.33 0.00 2.13 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 0.00 2.37 2.68 0.00 133 P 0.00 4.26 0.00 2.03 2.01 0.00 3.68 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 2.03 2.08 0.00 134 K 8.66 4.29 0.00 1.77 1.72 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.52 7.81 135 K 8.80 4.80 0.00 1.72 1.71 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.55 1.33 7.81 136 E 8.73 4.36 0.00 1.78 1.78 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 2.21 1.87 0.00 137 V 8.36 4.09 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 0.07 0.00 0.00 0.78 0.00 0.00 138 P 0.00 4.69 0.00 2.32 2.21 0.00 3.69 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 139 F 8.39 4.25 0.00 3.20 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 0.00 140 D 8.21 4.45 0.00 2.83 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 0.00 141 R 8.06 4.30 0.00 1.99 2.05 0.00 3.11 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 142 L 7.73 4.82 0.00 1.85 1.58 0.78 0.64 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 0.00 143 K 8.34 4.64 0.00 1.74 1.55 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 0.95 7.81 144 R 8.38 4.50 0.00 1.79 1.89 0.00 3.22 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 145 K 8.37 4.22 0.00 1.81 1.55 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.30 0.99 7.81