NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1386 8.3001 120.3272 55.3483 33.5527 175.3147 2 A 2.5800 7.3370 123.0362 50.7039 17.7317 176.1349 3 K 3.6420 5.6600 122.1991 58.6407 34.2102 175.6819 4 V 4.5556 5.5829 120.1177 60.8259 34.4933 174.3450 5 Q 4.6808 9.1955 128.8904 54.3037 31.7389 174.0096 6 V 4.6543 8.7111 126.8388 62.4420 31.8934 175.0310 7 N 4.7614 9.4907 126.5392 55.7189 39.6469 175.0931 8 N 4.8812 7.7948 113.9691 52.7313 42.5194 173.4591 9 V 5.0808 8.4191 122.6460 61.1918 35.1176 174.4617 10 V 4.4971 8.5754 126.8660 61.0457 34.3158 174.2778 11 V 4.2177 8.5276 128.1076 62.3576 32.1861 174.9231 12 L 4.4934 8.2038 127.3198 52.1277 44.8745 175.8418 13 D 4.1792 7.9660 117.2154 55.5557 39.2908 173.2302 14 N 4.8195 7.4513 117.4917 50.8515 42.1218 171.6908 15 P 4.7805 0.0000 0.0000 62.9346 32.9623 174.7916 16 S 4.5826 8.2597 111.9984 56.9591 66.4979 174.2844 17 P 4.5506 0.0000 0.0000 62.8342 31.9108 176.9160 18 F 3.9328 8.9093 125.9854 61.9429 39.0380 176.5277 19 Y 4.4662 8.1181 112.7193 59.5127 37.8841 176.0958 20 N 4.4650 7.7161 119.0850 52.4431 39.6331 172.7556 21 P 4.5325 0.0000 0.0000 62.6193 32.3941 176.2121 22 F 4.0095 9.1570 121.5459 57.6158 40.5809 175.2004 23 Q 4.4064 7.8446 120.1244 54.7362 32.5580 173.4947 24 F 5.1523 8.9690 123.7072 55.4878 42.1940 174.7005 25 E 4.7022 9.5449 125.7217 55.2026 30.4430 174.4727 26 I 4.7308 8.0327 129.0226 60.2007 39.3939 175.1713 27 T 5.3700 8.8457 123.2913 61.7923 71.5930 173.1761 28 F 5.5246 8.9449 120.3790 55.6272 42.3524 172.7291 29 E 5.0202 9.7926 119.8480 54.7069 33.0321 174.0125 30 C 5.0508 9.4079 123.9353 58.8561 30.4449 173.9086 31 I 4.0118 8.0223 122.3945 62.7800 38.1993 175.8133 32 E 4.6125 7.7786 120.2318 54.1807 31.5471 174.9715 33 D 4.6249 8.6670 122.9523 54.8353 42.0826 175.7464 34 L 4.7091 8.5644 120.7737 53.7506 43.8698 176.6194 35 S 4.5135 8.9921 118.8173 60.4444 64.3842 174.9719 36 E 4.1388 7.7402 118.4177 55.7740 29.7882 176.3551 37 D 4.6457 8.1716 119.6750 54.5508 42.5934 175.4104 38 L 5.0731 8.8042 121.7227 53.4791 45.3248 174.6475 39 E 4.9951 8.9954 127.9495 54.3088 32.0439 174.5658 40 W 5.4176 9.3338 127.8498 55.4752 31.6068 175.5865 41 K 5.7193 9.2368 121.0296 55.7982 36.2771 174.6181 42 I 4.8540 8.4527 122.1996 59.7489 39.6579 174.3537 43 I 4.8716 8.5004 127.8957 59.5991 40.0534 173.8488 44 Y 4.5557 8.9250 128.8183 55.9079 40.4237 174.9095 45 V 4.2083 7.7087 128.1073 61.7772 30.4406 175.5222 46 G 4.1967 8.7996 116.0867 49.1388 0.0000 172.3092 47 S 4.6855 7.9713 114.0229 56.5952 65.3249 174.5903 48 A 4.0928 8.8415 130.9987 55.3046 18.5486 178.2217 49 E 4.1802 7.8310 115.2595 59.2079 29.8845 177.5384 50 S 4.6874 7.8967 110.8729 56.5125 65.8979 174.4797 51 E 4.0560 8.9324 127.0391 59.0483 29.5642 178.5630 52 E 3.8667 7.7886 117.0274 58.7649 29.8069 177.1921 53 Y 4.6831 7.6247 115.4926 57.6392 38.5486 174.8033 54 D 5.0595 8.2347 121.2424 54.5941 42.3085 175.3041 55 Q 4.5252 9.1634 122.0243 54.0392 31.5766 174.9751 56 V 4.2627 8.4621 124.9675 62.6080 31.4135 175.6049 57 L 4.2769 9.0964 129.6921 57.5299 42.2653 176.5831 58 D 4.8634 7.7992 115.8546 53.2710 45.6076 173.6549 59 S 5.1362 8.5991 115.0035 57.0263 65.2047 172.9445 60 V 4.1513 8.9298 128.6488 61.5841 32.7800 174.1336 61 L 5.0840 8.5435 130.4003 53.4334 43.6654 175.4185 62 V 4.4536 9.2434 126.5574 60.2996 34.6298 174.7445 63 G 4.5846 8.2938 116.1710 45.2936 0.0000 170.4753 64 P 4.6125 0.0000 0.0000 62.6344 32.7724 176.0110 65 V 4.3912 8.0213 121.1349 60.4789 32.7660 173.4490 66 P 4.7197 0.0000 0.0000 62.9486 31.6800 175.9346 67 A 4.0328 8.5096 122.8757 52.7518 19.2541 177.3556 68 G 3.7423 8.5785 103.6019 43.8821 0.0000 171.8868 69 R 4.7986 8.2380 120.1516 54.9168 32.0790 176.0885 70 H 4.8442 8.7590 125.1233 54.8843 34.2182 171.1150 71 M 5.5432 8.5702 118.8166 54.6553 35.0773 173.3003 72 F 4.9501 9.0519 118.3015 56.0366 42.0200 173.0429 73 V 4.2622 8.4258 120.5152 61.7903 32.3956 175.3061 74 F 4.9792 9.1998 132.7397 57.3681 39.6548 174.2940 75 Q 5.1126 8.8078 127.0900 55.2207 30.9507 174.4440 76 A 4.6213 8.3440 122.7020 50.8835 23.0525 175.9510 77 D 4.8211 8.9089 121.4887 53.8661 41.7528 176.5023 78 A 4.0844 8.4823 124.0191 51.2348 19.0084 175.8366 79 P 4.2596 0.0000 0.0000 62.4990 32.0977 175.6876 80 N 4.5993 8.4716 117.9443 52.0458 38.9216 173.9511 81 P 3.8884 0.0000 0.0000 65.2629 31.6267 178.8156 82 G 3.9664 7.7911 107.2095 48.0278 0.0000 173.7948 83 L 4.5567 7.5339 116.6680 54.6357 42.6762 176.5019 84 I 4.2209 7.7920 121.2113 59.4243 38.0352 174.1298 85 P 4.2428 0.0000 0.0000 62.7855 32.0207 176.3285 86 D 4.3964 9.0438 123.1436 58.0373 40.5416 179.2486 87 A 4.0077 8.0002 119.0758 55.4079 18.3902 178.6759 88 D 4.5037 7.8143 114.9409 56.0248 41.1827 178.3329 89 A 4.1948 7.6767 121.3306 53.9480 18.7975 177.7855 90 V 3.9269 6.9631 115.0367 62.5773 33.8842 175.2951 91 G 3.9397 8.4537 110.2503 44.3472 0.0000 172.4875 92 V 4.9591 8.2706 122.1558 61.3296 34.0873 175.3087 93 T 4.7969 8.6225 119.1790 60.8536 72.3245 172.4572 94 V 4.7513 7.9318 118.5192 61.7218 35.3193 175.1686 95 V 4.6561 8.4693 127.1534 61.2976 34.3416 174.2534 96 L 5.0964 8.6355 124.9604 53.0201 45.5966 175.4440 97 I 4.7725 9.0190 124.9157 60.3061 39.2689 174.9807 98 T 5.0698 8.9850 122.3301 61.9290 72.8304 172.5171 99 C 4.7083 8.1973 123.6387 57.7647 35.1985 172.7951 100 T 5.1417 8.3186 121.3001 61.8742 72.4802 172.1494 101 Y 5.0105 8.4665 125.8131 54.9914 41.7700 175.4789 102 R 3.6238 9.1039 127.3061 57.4071 28.5274 175.9723 103 G 3.8525 8.2369 99.5454 46.0853 0.0000 173.5198 104 Q 4.3636 7.7536 118.7715 53.0761 30.9292 174.7854 105 E 4.2809 8.7710 124.8261 56.4381 29.9867 175.8524 106 F 5.1276 8.6467 121.0360 57.0642 40.4784 175.0988 107 I 5.0497 6.8347 118.8519 59.4276 41.9446 173.5531 108 R 4.7892 9.1024 127.8844 54.7851 33.3170 173.6860 109 V 4.5325 9.2248 127.8000 61.2262 33.4079 174.6744 110 G 4.3671 8.6271 114.9529 44.5205 0.0000 171.0695 111 Y 5.1985 8.6026 119.2663 55.8552 42.3152 174.8616 112 Y 4.5976 8.6133 120.0554 58.1170 39.9085 174.8632 113 V 4.8706 9.1265 122.0677 61.3791 35.1299 173.4432 114 N 5.3363 9.4347 127.6823 52.1726 40.9856 172.9908 115 N 5.3476 9.2497 125.1067 52.0715 40.4032 174.1356 116 E 4.9259 8.6250 123.0463 54.3121 33.8833 175.3966 117 Y 4.7256 8.0940 119.1816 58.1418 38.9303 176.9106 118 T 4.0764 8.6440 118.5717 65.9979 69.5941 176.4014 119 E 4.2224 7.9965 121.7043 55.9711 30.9773 178.0322 120 T 3.9081 8.5438 114.4225 64.3318 68.7866 176.6665 121 E 3.8822 8.0400 121.6301 59.5682 29.5252 179.0218 122 L 3.4363 7.7124 118.3999 57.5783 41.3972 179.6626 123 R 4.0418 8.0463 117.7527 58.9607 30.0450 178.4172 124 E 4.1935 8.1280 118.1952 58.0662 31.1972 177.3398 125 N 4.7741 8.2436 118.9837 50.6936 37.5257 171.8111 126 P 4.5613 0.0000 0.0000 60.6848 32.5308 175.8256 127 P 4.3226 0.0000 0.0000 62.7007 31.7413 176.5491 128 V 3.6531 8.3623 119.3018 65.3049 31.7055 176.4583 129 K 4.4909 7.7063 118.7042 53.7185 33.1515 174.4956 130 P 4.6219 0.0000 0.0000 62.3869 31.7843 175.9303 131 D 4.7298 8.5304 122.7759 52.5988 40.4518 176.5144 132 F 3.6388 8.6210 126.3034 59.8020 39.1743 177.7445 133 S 4.6187 8.0531 113.0879 59.8728 63.1606 174.7763 134 K 4.5963 8.2541 120.0105 56.0704 33.0011 174.8918 135 L 4.5351 7.7106 120.5760 53.6385 43.4967 175.2578 136 Q 4.7460 9.0751 125.0245 54.4982 31.5379 173.9539 137 R 4.6880 9.2036 127.2497 55.0803 32.0303 174.5163 138 N 4.8095 9.0499 124.5928 51.5179 40.8405 173.6494 139 I 4.4344 7.7052 126.3243 60.4664 38.0820 177.8823 140 L 4.3472 8.9822 128.0684 54.5880 39.2830 177.4499 141 A 4.2358 8.1589 125.5058 54.5109 18.8807 179.0122 142 S 4.5428 8.1129 109.7597 59.6764 63.7475 173.6872 143 N 5.1721 7.8651 117.4086 51.4879 38.9361 172.7075 144 P 4.0634 0.0000 0.0000 62.9525 33.0521 177.8308 145 R 4.3753 8.3175 120.2810 54.6283 32.6041 174.8219 146 V 4.4965 8.2310 124.8485 61.6726 32.7444 174.9667 147 T 4.4540 8.8458 125.4852 61.7628 70.9640 173.6951 148 R 4.9972 8.2879 124.7289 54.5773 32.7397 175.5967 149 F 4.9863 8.8632 119.8733 55.8169 42.3624 174.5755 150 H 4.5100 9.1957 123.5659 56.1155 30.3643 173.9570 151 I 4.4819 7.8534 125.0789 58.8810 41.2286 173.8585 152 N 4.5478 8.3296 122.0107 52.5632 38.0924 174.8987 153 W 4.4951 8.9615 125.4865 57.9058 29.9465 176.3647 154 E 4.1434 7.5282 124.8089 55.5768 28.8412 176.3831 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 8.30 4.14 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.70 0.00 2 A 7.34 2.58 1.04 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 3 K 5.66 3.64 0.00 0.79 1.42 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.26 1.12 7.81 4 V 5.58 4.56 1.87 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 1.16 0.00 0.00 0.82 0.00 0.00 5 Q 9.20 4.68 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 6 V 8.71 4.65 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 1.05 0.00 0.00 1.30 0.00 0.00 7 N 9.49 4.76 0.00 2.77 2.90 0.00 0.00 6.82 7.87 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 8 N 7.79 4.88 0.00 2.81 2.65 0.00 0.00 6.58 7.71 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 9 V 8.42 5.08 2.24 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 0.99 0.00 0.00 0.99 0.00 0.00 10 V 8.58 4.50 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 0.90 0.00 0.00 0.97 0.00 0.00 11 V 8.53 4.22 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 0.57 0.00 0.00 0.64 0.00 0.00 12 L 8.20 4.49 0.00 1.46 1.48 0.87 1.20 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 13 D 7.97 4.18 0.00 2.61 2.62 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 14 N 7.45 4.82 0.00 2.63 2.52 0.00 0.00 7.30 7.69 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 15 P 0.00 4.78 0.00 2.08 2.20 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 16 S 8.26 4.58 0.00 3.80 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 17 P 0.00 4.55 0.00 2.14 2.07 0.00 3.59 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 18 F 8.91 3.93 0.00 2.98 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 19 Y 8.12 4.47 0.00 3.13 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 20 N 7.72 4.47 0.00 2.71 2.50 0.00 0.00 7.16 7.30 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 21 P 0.00 4.53 0.00 1.91 2.02 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 22 F 9.16 4.01 0.00 2.78 2.54 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 0.00 0.00 0.00 0.00 23 Q 7.84 4.41 0.00 1.74 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 24 F 8.97 5.15 0.00 2.87 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 25 E 9.54 4.70 0.00 1.97 1.85 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 2.25 2.25 0.00 26 I 8.03 4.73 1.06 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.39 0.69 0.00 0.00 27 T 8.85 5.37 4.32 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 0.00 0.00 0.00 1.25 0.00 0.00 28 F 8.94 5.52 0.00 3.61 3.40 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 0.00 29 E 9.79 5.02 0.00 1.97 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 2.16 2.28 0.00 30 C 9.41 5.05 0.00 2.96 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 31 I 8.02 4.01 1.69 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 1.00 0.36 0.79 0.00 0.00 32 E 7.78 4.61 0.00 1.90 1.80 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 2.21 2.30 0.00 33 D 8.67 4.62 0.00 2.62 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.56 4.71 0.00 1.93 1.77 1.07 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.99 4.51 0.00 3.89 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 36 E 7.74 4.14 0.00 1.39 1.51 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 2.20 2.08 0.00 37 D 8.17 4.65 0.00 2.52 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 38 L 8.80 5.07 0.00 1.86 1.65 1.19 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 39 E 9.00 5.00 0.00 2.00 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 40 W 9.33 5.42 0.00 3.02 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 41 K 9.24 5.72 0.00 1.92 2.04 0.00 1.54 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.32 7.81 42 I 8.45 4.85 1.60 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.04 0.53 0.00 0.00 43 I 8.50 4.87 1.83 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 1.11 0.83 0.95 0.00 0.00 44 Y 8.93 4.56 0.00 2.92 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.71 4.21 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 0.88 0.00 0.00 0.85 0.00 0.00 46 G 8.80 4.20 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 0.00 47 S 7.97 4.69 0.00 3.72 3.69 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 48 A 8.84 4.09 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.83 4.18 0.00 1.93 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 50 S 7.90 4.69 0.00 3.95 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 51 E 8.93 4.06 0.00 2.04 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 2.36 2.54 0.00 52 E 7.79 3.87 0.00 1.30 1.59 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 2.25 2.30 0.00 53 Y 7.62 4.68 0.00 3.18 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 54 D 8.23 5.06 0.00 2.69 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 55 Q 9.16 4.53 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 56 V 8.46 4.26 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 0.81 0.00 0.00 0.94 0.00 0.00 57 L 9.10 4.28 0.00 1.44 1.69 0.90 0.95 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 58 D 7.80 4.86 0.00 2.81 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 59 S 8.60 5.14 0.00 3.96 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 60 V 8.93 4.15 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 0.53 0.00 0.00 0.68 0.00 0.00 61 L 8.54 5.08 0.00 1.66 1.55 0.91 0.91 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 62 V 9.24 4.45 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 0.94 0.00 0.00 0.82 0.00 0.00 63 G 8.29 4.58 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 64 P 0.00 4.61 0.00 2.16 2.09 0.00 3.75 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 1.98 0.00 65 V 8.02 4.39 2.22 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 1.16 0.00 0.00 1.07 0.00 0.00 66 P 0.00 4.72 0.00 2.13 2.08 0.00 3.85 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 2.03 2.02 0.00 67 A 8.51 4.03 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 68 G 8.58 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 69 R 8.24 4.80 0.00 1.75 1.75 0.00 3.15 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 0.00 70 H 8.76 4.84 0.00 2.79 2.73 0.00 5.65 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 M 8.57 5.54 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.58 0.00 72 F 9.05 4.95 0.00 3.15 3.05 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 73 V 8.43 4.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.94 0.00 0.00 74 F 9.20 4.98 0.00 2.52 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 75 Q 8.81 5.11 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.45 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 76 A 8.34 4.62 1.09 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 0.00 0.00 77 D 8.91 4.82 0.00 2.61 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.48 4.08 1.07 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 0.00 0.00 79 P 0.00 4.26 0.00 2.00 1.71 0.00 3.26 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.00 80 N 8.47 4.60 0.00 2.78 2.76 0.00 0.00 6.63 7.71 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 81 P 0.00 3.89 0.00 1.16 0.49 0.00 3.78 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.74 0.00 82 G 7.79 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.53 4.56 0.00 1.86 1.85 0.96 0.93 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 84 I 7.79 4.22 2.04 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.69 1.15 0.00 0.00 85 P 0.00 4.24 0.00 2.20 1.80 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.42 0.00 86 D 9.04 4.40 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 87 A 8.00 4.01 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 88 D 7.81 4.50 0.00 2.79 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 89 A 7.68 4.19 1.18 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 0.00 0.00 0.00 0.00 0.00 90 V 6.96 3.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.57 0.00 0.00 91 G 8.45 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 92 V 8.27 4.96 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 1.04 0.00 0.00 0.95 0.00 0.00 93 T 8.62 4.80 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 1.27 0.00 0.00 94 V 7.93 4.75 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 0.80 0.00 0.00 0.49 0.00 0.00 95 V 8.47 4.66 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 0.52 0.00 0.00 1.17 0.00 0.00 96 L 8.64 5.10 0.00 1.49 1.42 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 97 I 9.02 4.77 1.77 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.25 1.15 0.00 0.00 98 T 8.98 5.07 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 99 C 8.20 4.71 0.00 1.63 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 0.00 100 T 8.32 5.14 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 1.13 0.00 0.00 101 Y 8.47 5.01 0.00 2.76 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 0.00 0.00 0.00 102 R 9.10 3.62 0.00 1.23 1.61 0.00 3.28 0.00 0.00 3.11 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.36 0.00 103 G 8.24 3.85 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 0.00 0.00 0.00 104 Q 7.75 4.36 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.93 0.00 0.00 0.00 0.00 0.00 2.14 2.31 0.00 105 E 8.77 4.28 0.00 1.77 1.62 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 2.24 2.16 0.00 106 F 8.65 5.13 0.00 3.37 3.06 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 0.00 107 I 6.83 5.05 1.83 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 1.19 1.45 0.51 0.00 0.00 108 R 9.10 4.79 0.00 2.21 1.78 0.00 3.39 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 109 V 9.22 4.53 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 0.67 0.00 0.00 0.93 0.00 0.00 110 G 8.63 4.37 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 0.00 111 Y 8.60 5.20 0.00 2.95 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 0.00 112 Y 8.61 4.60 0.00 3.11 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 0.00 113 V 9.13 4.87 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 1.12 0.00 0.00 1.09 0.00 0.00 114 N 9.43 5.34 0.00 2.84 2.69 0.00 0.00 6.69 6.28 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 0.00 115 N 9.25 5.35 0.00 2.71 2.68 0.00 0.00 6.33 7.26 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 0.00 116 E 8.62 4.93 0.00 1.86 1.77 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 2.17 2.39 0.00 117 Y 8.09 4.73 0.00 2.98 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 0.00 118 T 8.64 4.08 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 1.23 0.00 0.00 119 E 8.00 4.22 0.00 1.98 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 2.40 2.37 0.00 120 T 8.54 3.91 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 0.00 121 E 8.04 3.88 0.00 2.01 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 2.36 2.43 0.00 122 L 7.71 3.44 0.00 1.66 0.77 0.71 0.60 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 0.00 123 R 8.05 4.04 0.00 1.94 2.03 0.00 3.33 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.83 0.00 124 E 8.13 4.19 0.00 1.99 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 0.00 2.29 2.37 0.00 125 N 8.24 4.77 0.00 2.62 2.70 0.00 0.00 7.18 5.81 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 0.00 126 P 0.00 4.56 0.00 2.26 2.25 0.00 3.36 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 127 P 0.00 4.32 0.00 2.33 2.00 0.00 3.22 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.66 0.00 128 V 8.36 3.65 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 0.82 0.00 0.00 0.92 0.00 0.00 129 K 7.71 4.49 0.00 1.79 1.76 0.00 1.91 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.41 7.81 130 P 0.00 4.62 0.00 1.43 1.46 0.00 3.75 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 131 D 8.53 4.73 0.00 2.67 2.62 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 0.00 132 F 8.62 3.64 0.00 2.92 2.29 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 0.00 133 S 8.05 4.62 0.00 4.21 4.28 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 0.00 134 K 8.25 4.60 0.00 2.05 1.95 0.00 1.98 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.41 7.81 135 L 7.71 4.54 0.00 1.50 1.39 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 9.08 4.75 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 137 R 9.20 4.69 0.00 1.85 1.77 0.00 3.02 0.00 0.00 2.84 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.76 0.00 138 N 9.05 4.81 0.00 2.76 2.73 0.00 0.00 6.58 7.17 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 0.00 139 I 7.71 4.43 1.94 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 1.37 0.48 0.80 0.00 0.00 140 L 8.98 4.35 0.00 2.10 1.79 1.05 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 141 A 8.16 4.24 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 0.00 142 S 8.11 4.54 0.00 3.94 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 0.00 143 N 7.87 5.17 0.00 2.72 2.83 0.00 0.00 6.95 8.91 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 0.00 144 P 0.00 4.06 0.00 1.84 1.70 0.00 3.83 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 145 R 8.32 4.38 0.00 1.66 1.78 0.00 3.32 0.00 0.00 3.16 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 146 V 8.23 4.50 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 0.77 0.00 0.00 0.86 0.00 0.00 147 T 8.85 4.45 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 148 R 8.29 5.00 0.00 1.64 1.90 0.00 3.17 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 149 F 8.86 4.99 0.00 3.02 2.89 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 0.00 150 H 9.20 4.51 0.00 3.16 3.32 0.00 5.87 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 0.00 151 I 7.85 4.48 1.64 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 1.11 0.92 -0.30 0.00 0.00 152 N 8.33 4.55 0.00 2.70 2.77 0.00 0.00 7.18 7.65 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 0.00 153 W 8.96 4.50 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 0.00 154 E 7.53 4.14 0.00 2.12 2.09 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 2.36 2.35 0.00