NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9870 8.3549 109.7406 45.4333 0.0000 173.1139 2 L 4.1224 8.1987 118.8497 51.8491 42.6649 175.6540 3 S 4.4731 9.7628 118.6876 58.0957 65.9823 174.9639 4 D 4.6707 8.7525 121.6004 57.4746 40.5285 179.2663 5 G 3.6509 8.1073 105.6409 47.8642 0.0000 175.2091 6 E 3.8830 7.9826 121.1861 59.0269 29.4482 179.5906 7 W 4.4335 8.1189 118.7401 59.9003 29.0151 178.3951 8 Q 4.1016 8.2717 119.5928 59.3675 28.5585 178.3483 9 Q 4.0976 8.2154 119.1511 58.6829 28.7121 178.6994 10 V 3.7711 7.9522 119.4348 66.2924 31.7012 178.2131 11 L 4.2249 8.5725 119.0734 57.5028 41.5200 178.6846 12 N 4.3219 8.6905 117.8978 57.0399 38.7724 177.3577 13 V 3.7227 7.8793 119.7841 64.4233 31.5315 177.9812 14 W 3.9728 8.5690 129.2704 60.1458 30.2964 178.1648 15 G 3.5964 8.1329 105.3950 47.4398 0.0000 175.8329 16 K 3.7849 7.2483 119.3009 59.2143 32.3207 179.1059 17 V 2.7698 6.8316 118.3231 65.8027 31.0577 177.8483 18 E 3.9669 7.6803 115.8204 58.3404 29.3748 178.5567 19 A 4.2942 7.4134 120.1236 53.4706 19.6659 177.6568 20 D 4.5858 7.6355 116.5337 52.4113 42.9117 175.2453 21 I 3.7052 8.0227 123.9737 63.2750 38.4284 176.6842 22 A 4.4632 7.4270 122.7137 54.4890 18.3960 179.3907 23 G 3.8753 8.2166 105.0429 47.8432 0.0000 175.3135 24 H 4.1405 8.1810 119.1552 58.2167 28.6639 178.2191 25 G 3.5870 8.2986 107.8053 47.7658 0.0000 175.8076 26 Q 3.8858 8.0186 120.4838 58.8866 28.8003 178.8773 27 E 3.9094 7.9586 119.2200 59.1040 29.3743 179.7123 28 V 3.5201 7.8304 118.4256 65.9883 31.5687 178.1937 29 L 3.4061 7.7081 118.7222 57.5275 41.2950 179.4736 30 I 3.6491 7.8605 120.1734 64.2389 36.9599 178.3865 31 R 3.7667 7.9414 119.4355 59.2362 29.9156 178.0555 32 L 3.9136 7.9951 120.4240 58.5466 41.9132 179.1512 33 F 4.5986 8.0553 118.0091 60.6072 38.5793 177.9898 34 T 4.0245 8.1225 109.2816 64.8288 68.7754 176.8221 35 G 3.6421 8.0609 107.7709 46.2724 0.0000 173.5884 36 H 4.7041 8.1675 117.6938 51.8848 29.6208 171.8749 37 P 4.6919 0.0000 0.0000 64.5185 31.3351 177.5347 38 E 4.2779 8.2601 116.3048 59.4140 29.4934 179.0973 39 T 3.6609 7.9222 111.0421 64.4862 68.7647 176.2696 40 L 3.6495 7.9305 122.9076 57.6675 41.7758 178.5801 41 E 4.0678 7.7955 117.8857 58.8874 29.3894 178.9458 42 K 4.2676 7.9402 117.6173 57.3286 33.0676 177.2011 43 F 4.2512 7.8199 119.0953 54.9696 37.4596 175.5808 44 D 4.3565 8.2556 125.9069 57.1403 41.0580 179.5815 45 K 4.3308 7.8000 117.4196 59.0833 32.5104 177.9697 46 F 5.0462 7.2197 111.9053 56.6199 38.9242 176.3813 47 K 4.0175 7.9487 122.4037 59.9319 32.3266 177.7909 48 H 4.4074 8.1758 114.2912 57.4767 28.9509 175.8302 49 L 4.2535 7.3214 120.2429 54.7704 41.9756 176.7669 50 K 4.4287 9.7454 121.1272 56.6052 34.8084 177.1259 51 T 4.6787 7.6047 107.5435 59.3997 72.7047 174.6062 52 E 3.9240 8.5820 121.4160 59.1790 29.6434 178.7764 53 A 3.9447 7.9222 120.4881 55.1203 18.3219 179.0295 54 E 3.8784 7.8814 115.7752 60.0092 29.7527 179.1965 55 M 4.0989 8.0640 118.3549 58.5433 31.8257 179.0906 56 K 3.9126 8.1571 117.3413 59.1691 32.2836 178.7729 57 A 4.2483 7.6189 118.8975 52.4884 18.8482 177.2113 58 S 4.3083 7.2921 114.0057 57.4684 63.1116 174.6825 59 E 3.9447 8.8648 127.9493 59.4819 29.3592 178.5853 60 D 4.4558 8.1504 118.5210 57.5236 40.8545 178.7061 61 L 2.9767 7.6287 120.5856 57.5717 41.9384 178.7523 62 K 3.7768 7.6094 118.9849 59.4730 32.1057 178.4839 63 K 3.8552 8.1645 118.7921 59.7870 31.9930 179.2035 64 V 3.8558 8.1479 118.2953 66.3076 31.4406 178.3649 65 G 3.6220 8.4811 105.5608 47.8807 0.0000 175.9794 66 T 3.9042 7.9860 118.0740 66.4558 68.5363 176.7929 67 V 3.6412 7.8038 120.2143 66.0972 31.5269 178.2077 68 V 3.6830 8.2331 118.0694 66.2696 31.4037 178.0920 69 L 4.3557 8.2286 118.5920 57.7845 41.4429 179.7077 70 T 3.9854 8.4420 116.1891 66.6726 68.4559 176.5141 71 A 4.0195 8.1343 122.6736 55.0810 18.3562 179.4614 72 L 3.6555 8.0050 118.9670 57.8986 42.0271 179.2646 73 G 3.2673 8.4195 106.2218 47.6347 0.0000 175.4200 74 G 3.8838 7.8069 107.2562 47.8108 0.0000 175.3885 75 I 3.8601 7.4620 122.2048 63.9211 37.0366 178.6154 76 L 3.9798 7.7245 119.8268 57.7394 41.2232 179.6770 77 K 3.8243 7.8708 117.1546 58.9039 32.1854 178.6308 78 K 3.9657 7.8055 117.4495 55.7869 32.8213 176.4913 79 K 2.0000 8.4110 118.8642 56.3007 29.8442 174.3752 80 G 4.0314 7.8195 105.4317 45.9895 0.0000 173.9161 81 H 4.5098 7.4995 118.8095 55.0133 27.3452 174.8313 82 H 5.2385 7.1705 110.9872 54.1592 29.8861 176.7112 83 E 3.9209 8.6141 122.2360 60.4224 29.1520 178.0745 84 A 4.0333 7.8924 118.7640 55.2310 17.2216 179.0070 85 E 4.0736 8.0972 116.6951 59.4473 29.5883 179.1244 86 L 4.3213 8.4484 120.8260 57.6954 42.2453 178.5966 87 K 3.8789 8.1577 118.9152 59.3712 32.1194 177.3943 88 P 4.3679 0.0000 0.0000 65.3953 31.3315 178.2812 89 L 3.9423 7.5050 119.2933 57.9809 42.1011 178.4087 90 A 4.1351 8.3027 121.1946 55.3703 18.4336 179.1210 91 Q 3.9465 7.9951 117.6676 59.6972 29.0513 179.0806 92 S 4.2558 8.1608 114.8965 61.4495 63.1457 175.3677 93 H 4.6578 8.9965 119.4142 56.1593 28.4986 176.0971 94 A 3.6638 7.7727 121.4921 52.4622 19.7518 176.2399 95 T 4.1670 7.2594 103.8285 62.3433 71.4323 175.4702 96 K 3.8171 7.9851 125.1170 58.2656 32.8596 176.6538 97 H 4.7224 8.2143 115.7933 53.7295 31.5981 172.9002 98 K 3.9993 8.4967 123.1985 54.9201 32.7000 176.1699 99 I 4.3543 8.1817 127.9027 58.6961 38.2109 174.5940 100 P 4.4235 0.0000 0.0000 62.6439 32.0642 177.9541 101 I 3.7742 8.6169 122.6672 64.3534 36.8338 178.7231 102 K 3.6335 7.9109 120.0815 59.8370 31.9064 178.2259 103 Y 4.0413 7.7329 116.4854 60.7449 37.8083 178.1252 104 L 4.2504 7.9217 119.8001 57.5155 41.7467 178.9207 105 E 3.9976 8.1105 119.5505 59.2666 29.5241 178.7737 106 F 4.5163 8.0393 118.0731 60.8750 38.9256 177.5297 107 I 3.8608 8.1886 118.0784 63.7741 37.7714 178.0907 108 S 4.2120 8.3154 116.3876 61.7803 62.6315 176.3185 109 D 4.4680 8.3083 121.3044 57.2721 40.4922 178.6988 110 A 4.0103 8.3506 121.5096 55.1790 18.3899 179.4493 111 I 3.6648 8.0684 118.5704 64.8966 37.3015 178.5990 112 I 3.8258 7.8897 120.2509 64.6239 36.9124 178.0170 113 H 4.1233 8.5812 119.1765 59.3662 29.7662 177.3008 114 V 3.5211 7.9872 120.1202 66.1160 31.2365 177.9382 115 L 3.7230 8.1535 118.9235 57.9060 41.0767 178.9904 116 H 4.4204 8.0057 117.0622 59.2876 29.8995 176.9932 117 S 4.1333 7.9949 113.9448 61.2019 62.3782 175.6587 118 K 4.1672 7.8395 118.8323 57.1089 33.5616 176.5696 119 H 5.0272 8.1182 115.9352 53.6151 29.4444 172.8087 120 P 4.3079 0.0000 0.0000 65.9116 31.5618 179.3473 121 G 3.6472 8.1712 106.5167 47.5958 0.0000 173.5599 122 D 4.9327 8.0815 117.2740 54.0794 41.8338 176.0057 123 F 5.0105 7.8228 121.0354 56.5791 39.7297 174.6299 124 G 3.8912 7.7356 108.5376 43.7333 0.0000 171.7405 125 A 3.8916 8.5597 120.9990 55.6349 18.1958 179.6827 126 D 4.2059 7.9903 115.9811 57.4524 40.9166 178.7897 127 A 3.9102 7.7671 120.5485 55.2223 18.3521 179.0660 128 Q 3.1697 7.6295 118.4261 59.1087 28.9419 179.0803 129 G 3.4622 7.9317 106.3161 47.6204 0.0000 175.6036 130 A 3.8575 7.9762 123.3271 55.0272 18.3328 179.4369 131 M 4.0360 8.3391 116.9191 58.9253 32.3650 178.1588 132 T 3.9334 8.1682 116.3341 67.0315 68.7333 176.3966 133 K 4.0404 8.1158 119.5736 59.3657 32.0565 179.3013 134 A 3.8386 7.8846 120.9758 55.2217 18.2431 179.7285 135 L 4.1832 8.2631 117.4348 57.6075 41.6023 179.5593 136 E 3.9864 8.3901 119.0414 59.0948 29.3892 179.0470 137 L 3.9227 8.0491 120.3746 58.0884 42.2670 178.3542 138 F 4.1021 8.3005 120.6611 61.8065 39.1425 177.4884 139 R 3.4265 8.2580 117.3768 58.9568 29.8483 178.5844 140 N 4.1734 8.2741 117.0526 56.8711 38.8401 176.7469 141 D 4.3285 8.0935 120.2180 57.1594 40.8773 178.8692 142 I 3.3213 7.3644 120.2464 63.9636 37.0620 178.1069 143 A 3.6944 7.7667 121.6298 55.1695 17.8655 179.4702 144 A 3.9322 7.8698 119.0465 55.1860 18.3081 180.1577 145 K 3.9927 7.7802 117.0215 59.8126 32.2138 178.8952 146 Y 4.5619 8.2939 117.5850 61.3580 37.8746 178.9874 147 K 3.9156 8.0670 119.7853 59.6803 32.1156 178.4185 148 E 3.9948 7.5693 115.9498 59.5716 29.5740 178.9697 149 L 4.3174 8.0221 115.8223 55.2955 41.7207 177.9760 150 G 3.8281 7.9457 107.4260 45.3320 0.0000 172.8837 151 F 4.8004 8.0398 121.8341 56.1923 39.9411 175.9970 152 Q 4.0034 8.3443 128.4846 54.7402 27.5720 176.3829 153 G 2.8966 7.6675 111.0408 45.1925 0.0000 171.5604 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 3.99 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 0.00 0.00 0.00 2 L 8.20 4.12 0.00 0.46 0.93 0.57 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.76 4.47 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.75 4.67 0.00 2.77 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.11 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 7.98 3.88 0.00 1.95 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 2.22 2.28 0.00 7 W 8.12 4.43 0.00 3.59 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 8 Q 8.27 4.10 0.00 2.34 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 9 Q 8.22 4.10 0.00 2.34 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 10 V 7.95 3.77 2.52 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 1.25 0.00 0.00 0.90 0.00 0.00 11 L 8.57 4.22 0.00 1.82 1.80 0.96 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.69 4.32 0.00 2.99 3.09 0.00 0.00 6.94 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 13 V 7.88 3.72 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.87 0.00 0.00 14 W 8.57 3.97 0.00 3.67 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 15 G 8.13 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 16 K 7.25 3.78 0.00 1.59 1.30 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.42 7.81 17 V 6.83 2.77 0.75 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 0.06 0.00 0.00 -0.06 0.00 0.00 18 E 7.68 3.97 0.00 1.90 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 0.00 2.27 2.41 0.00 19 A 7.41 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.64 4.59 0.00 2.72 2.52 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 21 I 8.02 3.71 1.80 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 1.58 1.39 0.90 0.00 0.00 22 A 7.43 4.46 1.30 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 0.00 0.00 23 G 8.22 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.18 4.14 0.00 3.28 3.21 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.30 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.02 3.89 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 27 E 7.96 3.91 0.00 1.94 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 2.25 2.38 0.00 28 V 7.83 3.52 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 1.04 0.00 0.00 0.97 0.00 0.00 29 L 7.71 3.41 0.00 1.45 0.97 0.89 0.49 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 30 I 7.86 3.65 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.67 0.88 0.00 0.00 31 R 7.94 3.77 0.00 1.91 2.10 0.00 3.02 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 32 L 8.00 3.91 0.00 1.70 1.45 1.07 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.06 4.60 0.00 3.04 2.96 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 0.00 34 T 8.12 4.02 4.22 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 1.25 0.00 0.00 35 G 8.06 3.64 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 0.00 36 H 8.17 4.70 0.00 3.10 2.84 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.69 0.00 2.16 2.12 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 38 E 8.26 4.28 0.00 2.30 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 0.00 2.30 2.60 0.00 39 T 7.92 3.66 4.42 0.00 0.00 0.00 0.00 0.00 0.00 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 40 L 7.93 3.65 0.00 1.33 1.77 0.20 1.30 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 41 E 7.80 4.07 0.00 2.14 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 2.38 0.00 42 K 7.94 4.27 0.00 1.82 1.61 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.23 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.70 1.94 7.81 43 F 7.82 4.25 0.00 2.57 1.75 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 44 D 8.26 4.36 0.00 2.64 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 45 K 7.80 4.33 0.00 1.78 2.22 0.00 1.88 0.00 0.00 1.92 0.00 0.00 3.14 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.46 7.81 46 F 7.22 5.05 0.00 3.21 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 47 K 7.95 4.02 0.00 1.86 2.19 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.39 7.81 48 H 8.18 4.41 0.00 3.32 3.48 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.32 4.25 0.00 1.64 1.59 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.75 4.43 0.00 1.78 1.79 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.49 7.81 51 T 7.60 4.68 4.23 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 0.00 0.00 0.00 1.21 0.00 0.00 52 E 8.58 3.92 0.00 2.05 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 2.36 2.35 0.00 53 A 7.92 3.94 1.31 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 54 E 7.88 3.88 0.00 2.10 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 0.00 2.34 2.36 0.00 55 M 8.06 4.10 0.00 2.05 2.23 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 2.75 2.61 0.00 56 K 8.16 3.91 0.00 1.89 1.83 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.19 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.48 7.81 57 A 7.62 4.25 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 58 S 7.29 4.31 0.00 3.78 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 59 E 8.86 3.94 0.00 2.02 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 2.39 2.34 0.00 60 D 8.15 4.46 0.00 2.80 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 61 L 7.63 2.98 0.00 0.35 1.16 0.80 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.61 3.78 0.00 1.79 1.90 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.44 7.81 63 K 8.16 3.86 0.00 2.12 1.92 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.61 7.81 64 V 8.15 3.86 2.33 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 1.50 0.00 0.00 1.37 0.00 0.00 65 G 8.48 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.99 3.90 4.44 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 0.00 0.00 0.00 1.24 0.00 0.00 67 V 7.80 3.64 2.30 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 1.09 0.00 0.00 1.00 0.00 0.00 68 V 8.23 3.68 2.20 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 1.09 0.00 0.00 1.21 0.00 0.00 69 L 8.23 4.36 0.00 1.83 1.90 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.44 3.99 4.48 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 1.27 0.00 0.00 71 A 8.13 4.02 1.39 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 0.00 0.00 0.00 72 L 8.01 3.66 0.00 1.56 1.65 0.08 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.42 3.27 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 0.00 74 G 7.81 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.46 3.86 1.84 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 1.53 0.90 0.91 0.00 0.00 76 L 7.72 3.98 0.00 1.43 1.56 -0.05 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.87 3.82 0.00 1.64 1.83 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.48 1.57 7.81 78 K 7.81 3.97 0.00 1.91 1.79 0.00 1.75 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.76 7.81 79 K 8.41 2.00 0.00 1.09 0.74 0.00 1.41 0.00 0.00 1.55 0.00 0.00 2.73 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.45 0.96 7.81 80 G 7.82 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 81 H 7.50 4.51 0.00 3.16 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.17 5.24 0.00 3.26 3.44 0.00 5.65 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.61 3.92 0.00 2.11 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 2.39 2.46 0.00 84 A 7.89 4.03 1.31 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 85 E 8.10 4.07 0.00 2.22 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 2.39 2.43 0.00 86 L 8.45 4.32 0.00 1.96 1.64 0.95 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.16 3.88 0.00 1.97 1.88 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.60 7.81 88 P 0.00 4.37 0.00 2.30 2.34 0.00 3.93 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.04 0.00 89 L 7.51 3.94 0.00 1.85 1.93 0.89 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.30 4.14 1.41 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 91 Q 8.00 3.95 0.00 2.25 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 92 S 8.16 4.26 0.00 4.17 4.16 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 93 H 9.00 4.66 0.00 3.63 3.65 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.77 3.66 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 95 T 7.26 4.17 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 1.19 0.00 0.00 96 K 7.99 3.82 0.00 1.60 1.82 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.82 1.24 7.81 97 H 8.21 4.72 0.00 2.86 2.94 0.00 5.65 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.50 4.00 0.00 1.29 0.89 0.00 1.42 0.00 0.00 0.99 0.00 0.00 2.65 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.52 1.03 7.81 99 I 8.18 4.35 2.14 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 1.19 0.90 1.19 0.00 0.00 100 P 0.00 4.42 0.00 1.53 1.66 0.00 3.06 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.81 0.00 101 I 8.62 3.77 1.80 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.00 0.83 0.00 0.00 102 K 7.91 3.63 0.00 1.66 1.60 0.00 1.97 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.60 1.34 7.81 103 Y 7.73 4.04 0.00 3.29 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 0.00 104 L 7.92 4.25 0.00 1.91 1.85 0.77 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.11 4.00 0.00 2.00 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 2.39 2.38 0.00 106 F 8.04 4.52 0.00 3.26 2.86 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 0.00 107 I 8.19 3.86 2.04 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 1.14 0.00 0.00 108 S 8.32 4.21 0.00 4.23 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.31 4.47 0.00 3.03 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 0.00 110 A 8.35 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.07 3.66 2.13 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 1.66 0.72 1.12 0.00 0.00 112 I 7.89 3.83 2.15 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.14 1.19 0.00 0.00 113 H 8.58 4.12 0.00 3.30 3.53 0.00 5.80 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.99 3.52 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 0.87 0.00 0.00 0.94 0.00 0.00 115 L 8.15 3.72 0.00 0.74 0.40 0.69 0.65 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 0.00 116 H 8.01 4.42 0.00 3.55 3.56 0.00 5.76 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.99 4.13 0.00 3.83 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 0.00 118 K 7.84 4.17 0.00 1.41 1.39 0.00 1.73 0.00 0.00 1.40 0.00 0.00 2.48 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.24 1.29 7.81 119 H 8.12 5.03 0.00 3.20 3.20 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.31 0.00 2.20 2.27 0.00 3.73 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 121 G 8.17 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.08 4.93 0.00 2.72 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 0.00 123 F 7.82 5.01 0.00 2.90 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 0.00 124 G 7.74 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 0.00 125 A 8.56 3.89 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 0.00 126 D 7.99 4.21 0.00 2.65 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 0.00 127 A 7.77 3.91 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 0.00 128 Q 7.63 3.17 0.00 1.29 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.19 0.00 129 G 7.93 3.46 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 0.00 0.00 0.00 130 A 7.98 3.86 1.31 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 0.00 131 M 8.34 4.04 0.00 2.52 2.47 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.93 0.00 132 T 8.17 3.93 4.44 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 0.00 0.00 0.00 1.23 0.00 0.00 133 K 8.12 4.04 0.00 1.77 1.69 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.48 7.81 134 A 7.88 3.84 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 0.00 135 L 8.26 4.18 0.00 1.78 1.84 1.01 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.39 3.99 0.00 2.16 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 2.35 2.44 0.00 137 L 8.05 3.92 0.00 1.88 1.96 1.03 1.00 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 0.00 138 F 8.30 4.10 0.00 3.15 3.23 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 0.00 0.00 0.00 0.00 139 R 8.26 3.43 0.00 1.85 1.85 0.00 3.19 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.96 0.00 140 N 8.27 4.17 0.00 2.85 2.89 0.00 0.00 7.24 8.96 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 0.00 141 D 8.09 4.33 0.00 2.75 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 0.00 142 I 7.36 3.32 1.36 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.36 -0.12 0.00 0.00 143 A 7.77 3.69 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.87 3.93 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 0.00 145 K 7.78 3.99 0.00 1.85 1.90 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.58 7.81 146 Y 8.29 4.56 0.00 3.09 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 0.00 147 K 8.07 3.92 0.00 1.91 2.02 0.00 1.53 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.54 7.81 148 E 7.57 3.99 0.00 2.23 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 2.48 0.00 149 L 8.02 4.32 0.00 1.87 1.76 1.14 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.95 3.83 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 0.00 0.00 0.00 151 F 8.04 4.80 0.00 2.79 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 8.34 4.00 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 153 G 7.67 2.90 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 0.00 0.00 0.00