NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4423 8.3044 118.1949 55.1772 32.5495 174.3505 1 V 4.2282 7.8820 118.5194 60.7527 34.2594 173.5211 2 L 4.2841 8.3523 127.6349 54.0910 43.4786 176.9706 3 S 4.5159 8.5742 117.2536 57.8413 65.3343 175.1933 4 E 4.3453 8.7947 122.3923 59.3974 29.4439 179.0154 5 G 3.6564 8.0833 105.5322 47.5646 0.0000 175.4952 6 E 3.8589 8.0405 120.4677 59.1174 29.4449 179.2752 7 W 4.3322 7.9227 118.8971 59.9990 29.0925 178.6259 8 Q 4.1275 8.2558 117.8783 59.0647 28.3248 178.7669 9 L 4.0856 7.9213 119.8657 57.6976 41.6058 179.8931 10 V 3.7179 7.8213 118.2151 66.1422 31.7078 178.0252 11 L 4.3553 8.5905 118.3431 57.0711 41.2140 178.9165 12 H 4.3000 8.4226 119.3628 59.2398 29.9021 177.5511 13 V 3.4706 7.9264 120.4747 64.2310 31.4044 178.1390 14 W 3.9679 8.6118 129.0201 60.1163 30.2505 177.7940 15 A 4.0089 7.8647 120.1684 54.7672 18.0210 179.5444 16 K 3.9172 7.4263 116.8153 59.5466 32.1565 179.4089 17 V 2.8362 7.1016 118.4451 65.9908 30.9993 177.5005 18 E 3.9562 7.5198 114.8598 57.7023 29.3183 178.4696 19 A 4.2413 7.6740 121.0596 53.8317 19.9021 177.6607 20 D 4.6361 7.8746 116.7638 52.1645 42.6286 175.5443 21 V 3.4860 7.9842 123.0425 65.3319 31.9578 176.8737 22 A 4.1137 7.9841 120.3122 55.0097 18.3083 179.6913 23 G 3.8004 8.3169 105.6210 47.8338 0.0000 175.7614 24 H 4.2186 8.2784 118.7477 58.2428 28.6829 177.9869 25 G 3.7448 8.4736 108.0849 47.9471 0.0000 175.5956 26 Q 3.9780 8.2308 120.5269 58.8678 28.8195 178.6052 27 D 4.3297 7.9292 119.6561 57.5081 40.7806 179.1425 28 I 3.5790 7.7373 119.9901 64.5112 37.0532 178.6327 29 F 3.5663 7.9160 118.5113 60.2664 38.5710 177.9277 30 I 3.7945 7.9465 119.7354 64.1926 36.8189 178.4129 31 R 3.7920 7.9389 119.6201 59.1544 29.9033 178.1556 32 L 3.8709 7.9073 120.3496 58.4720 41.9548 179.1389 33 F 4.7384 8.2067 117.9046 60.4671 38.5835 178.0316 34 K 4.0304 8.3858 118.0482 59.6003 31.9791 179.3525 35 S 4.2992 8.2152 114.7160 60.3954 64.1818 174.5268 36 H 4.6984 8.6004 118.7990 52.2323 29.2759 172.0309 37 P 4.6742 0.0000 0.0000 64.4272 31.6088 177.4261 38 E 4.2293 8.3461 116.6755 59.7838 29.1665 179.2493 39 T 3.8715 8.1713 110.7348 64.4556 68.8839 176.2960 40 L 3.7504 8.0911 122.9109 57.7092 41.7363 178.6164 41 E 4.1484 8.0439 117.3793 58.7099 29.4233 178.6557 42 K 4.4283 8.2342 117.5332 56.9695 32.5437 176.7897 43 F 4.4704 8.0530 118.7916 55.6500 38.4699 176.2724 44 D 4.3476 8.4610 126.7315 56.9764 40.8872 178.6437 45 R 3.9407 7.6247 117.0184 57.8284 30.4604 177.0195 46 F 4.9737 7.6363 114.9662 57.1521 41.1161 177.5211 47 K 4.0070 8.2259 121.6361 59.7298 32.0942 176.7626 48 H 4.4316 8.1691 111.6984 56.8940 29.0359 175.4662 49 L 4.0791 7.4111 121.6434 55.0923 41.7300 176.8717 50 K 4.3220 9.3513 123.4432 57.3176 33.5981 176.8626 51 T 4.7415 7.2831 107.4299 58.9109 73.2683 174.2613 52 E 3.9444 8.6329 120.6698 59.2116 29.4684 178.4742 53 A 4.0052 7.9375 120.5769 55.1823 18.2607 179.3253 54 E 3.9323 7.8216 116.0063 59.6444 29.8768 179.0713 55 M 4.1303 8.1221 118.7917 58.4322 31.8244 178.9959 56 K 3.9627 8.2991 117.5847 58.9172 32.2870 178.4496 57 A 4.4245 7.3768 118.9128 51.6243 19.3813 177.1689 58 S 4.1916 7.3997 113.9584 57.7078 62.9705 174.5669 59 E 4.0234 8.8192 128.7532 59.2371 29.4753 178.2896 60 D 4.4606 8.0579 118.8222 57.0630 41.0220 178.2025 61 L 2.8265 7.6216 120.9146 57.5856 42.0689 178.9210 62 K 3.8841 7.6983 119.0773 59.4926 32.0401 178.9271 63 K 4.0257 8.1107 118.7973 59.4180 31.8818 179.1355 64 Q 4.1604 8.2431 120.1284 59.1590 28.9320 178.5338 65 G 3.9289 8.2139 106.8443 47.8291 0.0000 175.9393 66 V 3.6458 7.8616 120.3894 66.0531 31.5815 178.0579 67 T 3.9404 8.3149 115.9657 66.8008 68.3040 176.6296 68 V 3.6970 8.1965 119.8856 66.2718 31.6160 178.1880 69 L 4.2600 8.3167 118.7146 57.8721 41.4549 179.6742 70 T 3.9721 8.3276 115.9456 66.5642 68.3027 176.5926 71 A 4.0220 8.1056 122.7849 55.0536 18.3309 179.5001 72 L 3.7446 8.2644 119.1714 58.0353 42.1265 179.3268 73 G 3.3728 8.4753 105.7567 47.7689 0.0000 175.5450 74 A 4.0427 7.7683 122.0671 54.7150 18.7539 179.6355 75 I 3.7827 7.4452 118.2387 64.6142 37.2398 178.6807 76 L 4.0004 7.8250 120.0112 57.6060 41.1441 179.5964 77 K 3.9837 7.6779 117.1820 58.5484 32.2558 179.1434 78 K 3.8832 7.8563 118.4735 56.7298 32.2037 176.8354 79 K 2.0000 8.2298 117.7549 56.5455 29.7689 175.7267 80 G 3.9839 7.8918 105.8943 45.8444 0.0000 174.2431 81 H 4.6865 7.5162 119.3070 55.3945 27.5516 174.8537 82 H 5.1411 7.6079 111.3442 53.9432 29.7111 175.8839 83 E 3.9858 8.5569 120.1544 60.3124 28.6996 178.6558 84 A 4.1461 7.9355 121.0241 54.9012 18.5832 179.3503 85 E 4.0312 8.1691 116.5923 59.4040 29.5005 179.2838 86 L 4.1009 8.1022 118.9530 57.0103 41.6428 179.6102 87 K 4.0017 7.7375 118.3048 59.0077 32.1141 177.6027 88 P 4.3676 0.0000 0.0000 65.3803 31.3350 178.2757 89 L 4.0056 7.4765 117.7602 58.1464 42.1043 178.7771 90 A 4.2242 8.3456 121.0706 55.1144 18.2906 179.4711 91 Q 3.9057 8.2171 118.4594 59.2622 29.1071 178.5774 92 S 3.9953 8.1605 115.3131 61.9528 63.0989 176.2453 93 H 4.0983 8.6315 119.7374 57.7185 28.1485 177.7221 94 A 2.7873 7.6883 122.1141 54.5236 18.6041 178.9386 95 T 3.9533 7.3860 112.0052 64.9511 69.3348 176.4295 96 K 4.0131 7.4744 120.1794 59.1182 32.7290 177.3280 97 H 4.3167 7.9383 114.7378 56.1640 29.4836 175.2795 98 K 3.2516 7.5322 117.0866 56.8394 28.1669 174.9451 99 I 4.3753 8.0167 119.1840 58.4938 38.8215 174.8308 100 P 4.6022 0.0000 0.0000 62.2523 32.2250 177.3091 101 I 3.6151 8.4712 120.9641 64.6735 36.9230 178.2184 102 K 3.5801 8.0420 119.7587 60.0346 31.8240 178.1389 103 Y 4.2965 8.1078 116.6739 60.8125 37.8099 178.0939 104 L 4.2334 7.9191 119.6810 57.5761 41.7732 179.1076 105 E 4.0106 8.1683 118.9007 59.2540 29.3471 179.2072 106 F 4.4849 7.7390 117.8461 60.8541 38.9497 177.6208 107 I 3.8231 8.1023 117.9187 63.7447 37.7334 178.1237 108 S 4.1496 8.1463 116.4990 61.5188 62.6289 176.0491 109 E 4.0122 8.4871 121.8213 59.3246 29.3797 178.8006 110 A 4.0076 8.0113 120.8441 55.0657 18.3888 179.7195 111 I 3.6672 7.9466 118.5804 64.6506 37.2236 178.7779 112 I 3.8385 7.9394 120.7051 64.3882 36.9021 177.8723 113 H 4.0648 8.4417 119.2776 59.4799 29.6603 177.5703 114 V 3.5761 7.8767 119.8758 65.8899 31.2520 178.0122 115 L 3.7743 7.8791 118.9207 57.7522 41.0644 178.8215 116 H 4.2814 7.7565 117.3785 59.3181 29.8321 177.3522 117 S 4.1565 7.7533 116.0204 61.7008 62.8571 176.4897 118 R 4.0578 7.8246 118.8903 57.6025 31.0986 176.4553 119 H 5.0246 8.3425 116.0576 53.9083 29.5821 173.1115 120 P 4.3100 0.0000 0.0000 65.8247 31.6296 179.1491 121 G 3.6582 8.1104 106.5068 47.4178 0.0000 173.7205 122 D 4.9973 8.0917 117.8531 54.0166 41.5829 176.4223 123 F 4.9380 7.8250 120.7483 56.4086 39.6246 174.6588 124 G 3.8880 7.7748 108.5253 44.1433 0.0000 172.2310 125 A 3.8828 8.3903 120.5993 55.2857 18.3447 179.7587 126 D 4.1655 7.9350 116.6518 57.4720 40.9323 178.6907 127 A 3.9083 7.7724 120.7690 55.0317 18.2983 179.3664 128 Q 3.1166 7.8042 118.4390 58.8309 28.9933 178.3706 129 G 3.5809 8.1477 106.8924 47.8248 0.0000 175.4734 130 A 3.8170 7.9850 123.1349 55.0183 18.4127 179.4382 131 M 3.9759 8.2428 117.0490 58.6904 32.2625 177.8984 132 N 4.3084 8.5246 117.7053 56.5605 39.0616 176.6575 133 K 3.8126 8.2098 120.9341 59.5496 32.2434 178.6529 134 A 3.8203 8.0205 120.9940 54.9109 18.1433 179.5473 135 L 4.1609 8.1132 117.5840 57.6398 41.7284 179.3485 136 E 3.9660 8.5784 119.1787 59.1198 29.3933 179.0004 137 L 3.9230 8.1548 120.4840 58.1548 42.1213 178.3928 138 F 4.1313 8.3279 120.5625 61.7670 39.1588 177.4068 139 R 3.4341 8.2747 117.4597 58.9306 29.8449 178.9239 140 K 3.8084 8.2709 119.7448 59.7187 32.1904 178.6062 141 D 4.3156 8.0968 119.0381 57.1860 40.6917 178.7496 142 I 3.3857 7.5988 120.4030 64.2406 37.0093 178.2414 143 A 3.7885 7.9672 121.6421 55.0837 18.2265 179.5913 144 A 3.9571 7.9085 119.2778 55.1888 18.4226 180.0810 145 K 4.0274 8.0711 117.1213 59.5668 32.0615 179.0495 146 Y 4.4384 8.4485 117.6679 61.2185 37.9679 178.7737 147 K 3.9666 8.1773 120.3192 59.7029 32.0992 178.7144 148 E 4.0513 7.9902 117.4093 59.0957 29.4606 178.6207 149 L 4.3560 7.9099 117.0443 55.2169 42.0056 177.7204 150 G 4.0499 7.8940 106.9836 45.4279 0.0000 173.1008 151 Y 4.2465 7.9248 119.9634 59.7144 40.4394 177.0032 152 Q 3.1284 7.5273 117.9351 56.9612 27.2720 174.2235 153 G 2.6140 6.4796 114.0079 45.3402 0.0000 172.9276 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 0 M 8.30 4.44 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 1 V 7.88 4.23 2.10 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 0.89 0.00 0.00 0.95 0.00 0.00 2 L 8.35 4.28 0.00 1.03 0.73 0.63 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.57 4.52 0.00 4.07 3.98 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 0.00 0.00 0.00 4 E 8.79 4.35 0.00 2.20 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 2.43 2.52 0.00 5 G 8.08 3.66 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 0.00 0.00 0.00 6 E 8.04 3.86 0.00 1.91 1.69 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 2.20 2.25 0.00 7 W 7.92 4.33 0.00 3.61 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 8 Q 8.26 4.13 0.00 2.43 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 9 L 7.92 4.09 0.00 1.87 1.74 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.82 3.72 2.39 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 1.17 0.00 0.00 0.88 0.00 0.00 11 L 8.59 4.36 0.00 1.84 1.81 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.42 4.30 0.00 3.44 3.52 0.00 5.78 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 13 V 7.93 3.47 2.43 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 1.06 0.00 0.00 0.90 0.00 0.00 14 W 8.61 3.97 0.00 3.64 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 A 7.86 4.01 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 16 K 7.43 3.92 0.00 1.56 1.63 0.00 1.64 0.00 0.00 1.46 0.00 0.00 2.69 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.45 7.81 17 V 7.10 2.84 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 0.00 0.00 -0.07 0.00 0.00 0.43 0.00 0.00 18 E 7.52 3.96 0.00 1.99 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 2.16 2.08 0.00 19 A 7.67 4.24 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 20 D 7.87 4.64 0.00 2.71 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.98 3.49 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 1.06 0.00 0.00 0.84 0.00 0.00 22 A 7.98 4.11 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 23 G 8.32 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.28 4.22 0.00 3.27 3.23 0.00 5.83 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 8.47 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.23 3.98 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 27 D 7.93 4.33 0.00 2.85 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 28 I 7.74 3.58 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.64 0.56 0.00 0.00 29 F 7.92 3.57 0.00 3.05 2.64 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 30 I 7.95 3.79 1.91 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 1.44 0.72 0.91 0.00 0.00 31 R 7.94 3.79 0.00 1.86 2.15 0.00 3.03 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 32 L 7.91 3.87 0.00 1.60 1.37 1.01 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.21 4.74 0.00 3.17 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 34 K 8.39 4.03 0.00 1.71 1.85 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.76 7.81 35 S 8.22 4.30 0.00 3.76 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 36 H 8.60 4.70 0.00 2.88 2.68 0.00 5.62 0.00 0.00 0.00 0.00 6.86 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 4.67 0.00 2.16 2.10 0.00 3.84 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 2.09 2.24 0.00 38 E 8.35 4.23 0.00 2.30 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 0.00 2.26 2.52 0.00 39 T 8.17 3.87 4.50 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 0.90 0.00 0.00 40 L 8.09 3.75 0.00 1.30 1.74 0.02 0.71 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 41 E 8.04 4.15 0.00 2.31 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 42 K 8.23 4.43 0.00 1.88 1.69 0.00 1.88 0.00 0.00 1.76 0.00 0.00 3.18 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.75 1.96 7.81 43 F 8.05 4.47 0.00 3.31 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 44 D 8.46 4.35 0.00 2.59 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 R 7.62 3.94 0.00 0.96 1.25 0.00 3.07 0.00 0.00 3.03 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 46 F 7.64 4.97 0.00 2.76 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 47 K 8.23 4.01 0.00 1.85 1.88 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.51 7.81 48 H 8.17 4.43 0.00 3.35 3.45 0.00 5.59 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 7.41 4.08 0.00 1.52 1.56 0.81 0.55 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 50 K 9.35 4.32 0.00 1.75 1.83 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.53 7.81 51 T 7.28 4.74 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 1.20 0.00 0.00 52 E 8.63 3.94 0.00 2.06 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 2.37 2.37 0.00 53 A 7.94 4.01 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 7.82 3.93 0.00 2.14 1.99 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 2.34 2.34 0.00 55 M 8.12 4.13 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.59 0.00 56 K 8.30 3.96 0.00 1.90 1.85 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.45 1.43 7.81 57 A 7.38 4.42 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 58 S 7.40 4.19 0.00 3.85 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 59 E 8.82 4.02 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 60 D 8.06 4.46 0.00 3.01 3.14 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 61 L 7.62 2.83 0.00 0.98 1.44 -0.39 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.70 3.88 0.00 1.82 1.90 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.47 7.81 63 K 8.11 4.03 0.00 1.91 1.89 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.70 7.81 64 Q 8.24 4.16 0.00 2.42 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 65 G 8.21 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.86 3.65 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 1.06 0.00 0.00 0.99 0.00 0.00 67 T 8.31 3.94 4.56 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 1.33 0.00 0.00 68 V 8.20 3.70 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 1.11 0.00 0.00 1.40 0.00 0.00 69 L 8.32 4.26 0.00 1.82 1.86 0.88 0.77 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 70 T 8.33 3.97 4.35 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 1.27 0.00 0.00 71 A 8.11 4.02 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 72 L 8.26 3.74 0.00 1.68 1.64 0.23 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.48 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.77 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.45 3.78 1.85 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 1.53 1.05 0.87 0.00 0.00 76 L 7.83 4.00 0.00 1.20 1.55 -0.20 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.68 3.98 0.00 1.72 1.80 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.47 1.48 7.81 78 K 7.86 3.88 0.00 1.87 1.85 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.54 1.85 7.81 79 K 8.23 2.00 0.00 1.22 0.74 0.00 1.47 0.00 0.00 1.42 0.00 0.00 2.71 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.37 0.65 7.81 80 G 7.89 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.52 4.69 0.00 3.17 3.21 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.61 5.14 0.00 3.30 3.43 0.00 5.66 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 83 E 8.56 3.99 0.00 2.16 2.18 0.00 0.00 0.00 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 2.36 0.00 84 A 7.94 4.15 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.17 4.03 0.00 2.26 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 2.41 2.48 0.00 86 L 8.10 4.10 0.00 1.94 1.73 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.74 4.00 0.00 2.01 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.47 7.81 88 P 0.00 4.37 0.00 2.30 2.34 0.00 3.76 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 2.23 2.05 0.00 89 L 7.48 4.01 0.00 1.93 1.93 0.98 1.15 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 90 A 8.35 4.22 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 91 Q 8.22 3.91 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 92 S 8.16 4.00 0.00 4.01 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.63 4.10 0.00 3.61 3.62 0.00 5.80 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 7.69 2.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.39 3.95 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 96 K 7.47 4.01 0.00 1.53 1.58 0.00 1.66 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.36 7.81 97 H 7.94 4.32 0.00 3.01 3.17 0.00 5.84 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.53 3.25 0.00 1.78 1.78 0.00 1.44 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.23 1.22 7.81 99 I 8.02 4.38 2.11 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 1.52 0.99 1.17 0.00 0.00 100 P 0.00 4.60 0.00 1.98 2.02 0.00 3.30 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.41 0.00 101 I 8.47 3.62 1.81 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.03 0.81 0.00 0.00 102 K 8.04 3.58 0.00 1.73 1.68 0.00 0.94 0.00 0.00 1.54 0.00 0.00 3.07 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.53 1.16 7.81 103 Y 8.11 4.30 0.00 3.22 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 0.00 104 L 7.92 4.23 0.00 1.82 1.80 0.76 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.17 4.01 0.00 2.00 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 2.43 0.00 106 F 7.74 4.48 0.00 3.22 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.10 3.82 1.93 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.33 1.03 0.00 0.00 108 S 8.15 4.15 0.00 4.21 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 0.00 109 E 8.49 4.01 0.00 2.16 2.28 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 2.38 2.41 0.00 110 A 8.01 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.95 3.67 2.08 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 1.56 0.64 1.02 0.00 0.00 112 I 7.94 3.84 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.14 1.12 0.00 0.00 113 H 8.44 4.06 0.00 3.37 3.48 0.00 5.78 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 7.88 3.58 2.03 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 0.97 0.00 0.00 0.94 0.00 0.00 115 L 7.88 3.77 0.00 0.39 0.70 0.85 0.69 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 0.00 116 H 7.76 4.28 0.00 3.44 3.59 0.00 5.95 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 0.00 117 S 7.75 4.16 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 0.00 118 R 7.82 4.06 0.00 1.59 1.58 0.00 3.12 0.00 0.00 2.96 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 119 H 8.34 5.02 0.00 3.16 3.21 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 0.00 120 P 0.00 4.31 0.00 2.20 2.26 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 121 G 8.11 3.66 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 0.00 0.00 0.00 122 D 8.09 5.00 0.00 2.76 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 0.00 123 F 7.83 4.94 0.00 2.91 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 0.00 124 G 7.77 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 8.39 3.88 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 0.00 126 D 7.94 4.17 0.00 2.64 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 0.00 127 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 7.80 3.12 0.00 1.23 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 129 G 8.15 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 0.00 130 A 7.98 3.82 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 0.00 131 M 8.24 3.98 0.00 2.34 2.33 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.89 0.00 132 N 8.52 4.31 0.00 2.85 2.90 0.00 0.00 6.85 6.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.21 3.81 0.00 1.91 1.70 0.00 1.59 0.00 0.00 1.49 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.37 7.81 134 A 8.02 3.82 1.20 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 0.00 0.00 135 L 8.11 4.16 0.00 1.77 1.81 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.58 3.97 0.00 2.12 1.99 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 2.33 2.65 0.00 137 L 8.15 3.92 0.00 1.85 1.97 1.03 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.33 4.13 0.00 3.12 3.28 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 0.00 139 R 8.27 3.43 0.00 1.97 1.82 0.00 3.15 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.85 0.00 140 K 8.27 3.81 0.00 1.75 1.91 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 8.10 4.32 0.00 2.77 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 0.00 142 I 7.60 3.39 1.24 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 0.74 -0.08 0.09 0.00 0.00 143 A 7.97 3.79 1.25 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 0.00 0.00 144 A 7.91 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 K 8.07 4.03 0.00 2.03 1.93 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.54 7.81 146 Y 8.45 4.44 0.00 3.31 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 0.00 147 K 8.18 3.97 0.00 1.87 2.00 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 7.99 4.05 0.00 2.21 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 2.36 2.53 0.00 149 L 7.91 4.36 0.00 1.82 1.72 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.89 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 0.00 0.00 0.00 151 Y 7.92 4.25 0.00 2.62 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 7.53 3.13 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 153 G 6.48 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 0.00 0.00 0.00