NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1740 8.2544 120.8629 56.2000 29.9219 173.8927 2 H 4.1833 8.4220 122.6306 54.7866 28.4917 170.7780 3 E 3.8745 8.7168 125.4003 56.3852 30.5271 176.6125 4 R 4.6475 8.3135 124.1885 55.0815 31.8718 174.0304 5 D 4.4873 7.9742 126.4056 53.2546 41.7401 176.8774 6 A 3.8672 7.6708 115.9563 54.6108 18.5939 178.9702 7 F 4.1919 6.1241 112.5378 61.0310 37.3520 175.9806 8 D 4.5609 8.4598 116.3405 59.0069 40.7369 178.6138 9 T 3.9040 7.6603 114.6205 66.3445 68.8502 176.3092 10 L 3.8040 7.7288 122.1230 58.4528 41.8214 179.1441 11 F 4.2862 8.6172 116.2151 60.1268 39.2416 177.0517 12 D 4.7978 8.6836 115.9202 55.3913 41.0151 176.8220 13 H 4.7445 8.5058 115.8099 56.3047 33.4965 173.5163 14 A 4.6063 7.8929 118.5621 50.6835 20.6456 175.7774 15 P 4.3097 0.0000 0.0000 64.4802 32.4073 178.2312 16 D 4.4921 7.8327 118.7601 57.0778 40.9532 178.6244 17 K 3.9632 7.8635 118.4110 59.1269 32.1606 178.7292 18 L 3.8028 7.7460 120.8495 58.1772 41.8082 178.7304 19 N 4.2117 7.8387 116.2034 56.8558 38.8179 177.1681 20 V 3.6050 7.6442 117.6938 65.8590 32.0070 177.6054 21 V 3.6225 8.8346 119.2177 65.6375 31.3238 177.9095 22 K 3.9164 7.8887 119.0198 59.4965 31.9691 178.9881 23 K 4.0312 7.8373 118.1260 59.6228 31.7413 179.3639 24 T 4.0626 7.7066 115.8044 66.1932 68.3381 176.8529 25 L 4.3291 7.7042 120.5581 57.5500 41.6966 179.2072 26 I 3.8353 7.8871 120.0934 64.3641 36.7027 178.6284 27 T 3.8794 7.5433 115.8281 66.6724 68.7018 175.9312 28 F 4.3319 8.3261 122.4674 61.6996 39.2449 177.4301 29 V 3.0827 7.6723 117.1349 65.5834 30.7209 177.3148 30 N 4.2211 8.2594 116.5857 55.5751 38.6145 176.7002 31 K 3.9569 7.6600 121.5755 59.9462 32.2869 178.3073 32 H 4.1355 7.8422 113.5366 58.3404 28.4274 176.9368 33 L 3.9725 7.7315 121.8209 57.4011 41.8015 178.3903 34 N 4.2005 9.1881 117.2219 56.6896 38.3700 176.5811 35 K 3.9131 7.5031 118.7421 59.4635 32.3248 178.3079 36 L 4.1861 7.7164 117.3332 54.1805 43.0642 175.8096 37 N 4.2734 8.0283 116.4445 53.8562 35.9010 174.0056 38 L 4.4193 7.2990 126.6305 55.4348 44.7769 175.1843 39 E 4.4401 8.5092 119.6839 56.6033 32.1054 176.4022 40 V 4.1463 8.2044 126.0610 61.0649 33.1869 175.8314 41 T 4.6491 8.0475 113.7295 62.8839 71.3666 174.2985 42 E 4.5815 7.6746 119.3765 52.9519 29.6887 175.6373 43 L 3.9408 8.2995 129.0925 59.2658 42.2609 177.3222 44 E 3.9633 8.3672 117.9245 60.1229 29.4996 178.7690 45 T 4.3964 7.6400 106.9568 62.9581 68.5676 176.1368 46 Q 4.4022 8.3465 121.9718 58.3289 28.7411 177.2047 47 F 4.4095 8.3560 117.6978 57.6367 39.3580 177.2742 48 A 4.6914 7.8200 121.4821 51.8817 17.5952 177.0006 49 D 4.4843 9.5721 122.5863 54.1724 44.7595 176.6540 50 G 4.2156 7.5368 106.7626 45.2612 0.0000 175.5068 51 V 3.8427 9.2753 120.3268 66.2356 31.4219 177.5338 52 Y 4.1956 7.9167 115.1034 60.5332 37.9665 178.4773 53 L 3.8042 7.4798 120.2427 57.5716 41.8237 179.1209 54 V 3.2077 7.2314 118.0954 65.6599 31.0399 178.2597 55 L 3.8564 7.3492 118.4338 57.4725 41.4541 178.6577 56 L 3.5734 7.3583 120.2011 58.6086 41.7791 178.7024 57 M 4.0206 7.9868 117.8528 58.5989 31.4829 179.0566 58 G 3.5729 7.6878 105.0990 47.8347 0.0000 175.9253 59 L 3.9627 7.9723 120.8262 56.4148 41.5914 179.2908 60 L 4.1680 7.6700 120.2030 58.2687 42.3640 178.4516 61 E 4.2266 7.8575 116.8155 56.7543 30.6470 175.8674 62 G 3.6222 10.5765 108.3702 45.3458 0.0000 171.2293 63 Y 4.5814 7.2579 122.7450 56.8078 42.2589 174.0680 64 F 4.1083 6.8525 121.1989 56.5937 38.2463 176.4789 65 V 4.5073 7.9752 120.4192 58.3618 31.3393 174.1935 66 P 4.4985 0.0000 0.0000 62.2273 31.8758 178.0080 67 L 3.7669 8.4846 120.4774 56.9962 42.0498 177.2373 68 H 4.6547 7.1510 113.9129 55.1469 28.4428 174.2236 69 S 4.4916 6.5305 113.3543 59.8776 65.5942 174.4234 70 F 5.1216 6.0179 126.3921 57.0218 37.4148 175.9150 71 F 4.1233 9.1397 132.9845 58.3631 39.8010 174.2484 72 L 3.9689 6.3032 122.9575 54.8224 41.5959 176.2710 73 T 4.2857 8.1349 113.8602 60.4941 67.9702 172.7484 74 P 4.3650 0.0000 0.0000 63.4603 31.7154 174.7781 75 D 4.7038 8.9872 122.1112 55.0009 42.3795 175.1071 76 S 5.0080 7.4059 111.5127 56.0310 66.0474 173.6656 77 F 4.2674 8.8763 120.4694 61.9196 39.1254 176.7105 78 E 3.5297 8.3675 118.3125 59.7456 29.3869 178.9782 79 Q 4.0180 7.6920 117.1633 58.3963 28.6575 178.9669 80 K 3.9729 8.3480 120.2027 59.4610 32.3887 179.3553 81 V 3.4966 7.3885 117.8257 65.8816 30.9673 177.5200 82 L 3.8105 7.6018 120.1694 57.9248 42.1661 178.0280 83 N 4.2602 7.9208 116.7454 56.9256 38.6813 176.6851 84 V 3.8760 7.8740 119.1203 65.4978 31.6117 178.1772 85 S 4.4431 8.0202 114.1609 61.1554 62.7750 176.3145 86 F 4.5183 8.6905 123.9024 61.4031 39.2697 176.9344 87 A 3.3174 7.7350 119.9402 55.2497 18.0137 179.4006 88 F 4.4648 8.5881 118.7491 61.0162 39.2239 177.4090 89 E 3.4827 8.6854 119.3434 59.2690 29.5179 179.0084 90 L 4.1068 7.6235 117.6135 56.9872 41.5699 179.2713 91 M 4.0208 7.7683 119.4013 58.3152 32.0483 178.0202 92 Q 4.1259 8.0085 118.3719 59.3355 29.0062 178.2490 93 D 4.5875 7.6959 118.0888 57.0038 41.6141 178.2189 94 G 3.8380 7.9761 101.9881 45.6506 0.0000 172.8577 95 G 4.0432 9.3387 106.9665 42.3498 0.0000 178.4422 96 L 3.3999 9.3881 124.4482 54.5965 42.9265 175.8979 97 E 3.5460 8.8803 117.9652 57.0999 28.1592 174.4474 98 K 4.4606 8.6036 124.6935 55.4639 32.5479 174.9141 99 P 4.4083 0.0000 0.0000 62.5307 31.9140 177.0901 100 K 4.1236 8.4687 119.6608 59.0783 32.6321 177.1194 101 P 4.6165 0.0000 0.0000 62.1597 33.1900 175.2171 102 R 4.6292 8.1759 114.8977 53.6661 33.8740 174.5691 103 P 4.2610 0.0000 0.0000 66.0514 31.1207 178.7178 104 E 4.0906 8.1953 116.9157 59.5899 29.5028 178.5987 105 D 4.2471 7.8467 117.8370 58.1387 40.9259 178.6960 106 I 4.2399 7.6993 120.8509 62.4604 37.7116 177.4534 107 V 3.8767 8.2173 119.2784 66.3751 31.3432 177.7935 108 N 4.3595 9.0414 114.0029 53.8311 38.3973 174.3883 109 C 4.1927 8.5063 116.3533 60.1226 31.2926 172.7648 110 D 4.6396 8.0249 116.8382 54.0154 40.0180 176.1714 111 L 4.2926 8.5799 119.3628 57.5728 41.9508 179.1302 112 K 4.2488 7.2404 114.2518 59.6172 33.6551 177.7054 113 S 4.2753 8.0489 113.2909 62.0614 63.4388 176.5455 114 T 3.6978 7.6997 119.5415 66.0689 68.1148 176.3685 115 L 4.0206 8.3878 121.1252 57.5700 41.6126 179.2312 116 R 3.8712 8.3689 119.1708 59.3885 30.0039 178.8681 117 V 3.5837 7.6603 117.4123 66.0710 31.6813 177.6351 118 L 3.9940 7.9187 118.7832 58.0239 41.4370 178.8851 119 Y 3.9005 8.2712 119.3853 60.8572 38.5473 177.4819 120 N 4.2668 7.7920 116.0765 57.2103 39.0999 176.3588 121 L 4.0537 7.8694 119.9090 57.5902 41.8254 179.0010 122 F 3.1314 8.0955 120.6707 61.5643 38.8882 177.9209 123 T 3.6749 7.4459 114.4674 66.6143 68.4614 176.7935 124 K 4.0895 8.1170 118.6107 58.5241 32.1637 178.0567 125 Y 4.2961 7.7273 115.3584 58.1482 38.7455 177.2703 126 R 3.5841 7.4127 119.9567 58.8458 30.1826 176.7213 127 N 4.6142 7.9227 112.6095 53.4466 39.9412 174.9650 128 V 4.1152 6.9109 117.8702 60.6616 32.7177 175.4091 129 E 4.1702 8.8331 125.3751 57.0010 29.2578 176.8108 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 R 8.25 4.17 0.00 1.77 2.08 0.00 3.26 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 2 H 8.42 4.18 0.00 3.22 3.28 0.00 5.82 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 E 8.72 3.87 0.00 1.98 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 2.33 2.37 0.00 4 R 8.31 4.65 0.00 1.74 1.79 0.00 3.10 0.00 0.00 2.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 5 D 7.97 4.49 0.00 2.48 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 0.00 0.00 0.00 0.00 6 A 7.67 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 F 6.12 4.19 0.00 3.54 3.76 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 8 D 8.46 4.56 0.00 3.01 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 9 T 7.66 3.90 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 1.19 0.00 0.00 10 L 7.73 3.80 0.00 1.81 1.45 0.79 0.74 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 11 F 8.62 4.29 0.00 3.35 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 12 D 8.68 4.80 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 13 H 8.51 4.74 0.00 3.01 3.32 0.00 5.79 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.89 4.61 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 15 P 0.00 4.31 0.00 2.24 2.28 0.00 3.47 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.21 0.00 16 D 7.83 4.49 0.00 2.75 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.86 3.96 0.00 1.72 1.80 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.44 7.81 18 L 7.75 3.80 0.00 1.58 1.46 -0.53 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 19 N 7.84 4.21 0.00 2.88 2.89 0.00 0.00 6.83 7.04 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 20 V 7.64 3.61 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 0.86 0.00 0.00 0.98 0.00 0.00 21 V 8.83 3.62 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 0.84 0.00 0.00 0.88 0.00 0.00 22 K 7.89 3.92 0.00 1.87 1.95 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.48 7.81 23 K 7.84 4.03 0.00 2.02 1.85 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.67 7.81 24 T 7.71 4.06 4.10 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 1.05 0.00 0.00 25 L 7.70 4.33 0.00 1.90 1.83 0.92 0.61 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 26 I 7.89 3.84 2.11 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 1.53 0.88 0.91 0.00 0.00 27 T 7.54 3.88 4.65 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 1.34 0.00 0.00 28 F 8.33 4.33 0.00 2.90 3.42 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 0.00 29 V 7.67 3.08 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 1.13 0.00 0.00 1.06 0.00 0.00 30 N 8.26 4.22 0.00 3.00 2.81 0.00 0.00 6.78 6.74 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 31 K 7.66 3.96 0.00 1.84 1.78 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.43 7.81 32 H 7.84 4.14 0.00 3.19 3.09 0.00 5.57 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.73 3.97 0.00 1.66 1.63 0.83 0.58 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 34 N 9.19 4.20 0.00 2.85 2.93 0.00 0.00 7.28 6.91 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 35 K 7.50 3.91 0.00 1.88 1.80 0.00 1.63 0.00 0.00 1.60 0.00 0.00 3.22 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.65 1.46 7.81 36 L 7.72 4.19 0.00 1.61 1.64 0.90 1.01 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 37 N 8.03 4.27 0.00 3.00 2.88 0.00 0.00 6.65 7.70 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 38 L 7.30 4.42 0.00 1.58 1.56 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.51 4.44 0.00 1.85 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 2.12 2.22 0.00 40 V 8.20 4.15 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.75 0.00 0.00 41 T 8.05 4.65 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 1.20 0.00 0.00 42 E 7.67 4.58 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 43 L 8.30 3.94 0.00 1.75 1.75 0.86 1.20 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 44 E 8.37 3.96 0.00 2.09 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 2.43 2.42 0.00 45 T 7.64 4.40 4.33 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 1.27 0.00 0.00 46 Q 8.35 4.40 0.00 2.44 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.92 5.11 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 47 F 8.36 4.41 0.00 3.10 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 48 A 7.82 4.69 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 9.57 4.48 0.00 2.70 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 50 G 7.54 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 0.00 0.00 0.00 0.00 51 V 9.28 3.84 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 0.78 0.00 0.00 1.02 0.00 0.00 52 Y 7.92 4.20 0.00 2.95 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 53 L 7.48 3.80 0.00 1.50 1.40 0.37 0.68 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 54 V 7.23 3.21 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 0.00 0.00 0.40 0.00 0.00 0.75 0.00 0.00 55 L 7.35 3.86 0.00 1.82 1.83 0.94 0.70 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 56 L 7.36 3.57 0.00 1.26 1.62 0.79 0.83 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 57 M 7.99 4.02 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 58 G 7.69 3.57 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 0.00 0.00 0.00 59 L 7.97 3.96 0.00 1.68 1.79 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.67 4.17 0.00 1.94 1.87 0.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.86 4.23 0.00 1.98 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 2.35 2.52 0.00 62 G 10.58 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 63 Y 7.26 4.58 0.00 2.90 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 64 F 6.85 4.11 0.00 2.55 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 65 V 7.98 4.51 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 0.98 0.00 0.00 1.05 0.00 0.00 66 P 0.00 4.50 0.00 1.90 1.94 0.00 3.76 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 2.06 2.13 0.00 67 L 8.48 3.77 0.00 1.57 1.64 0.96 0.93 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 68 H 7.15 4.65 0.00 2.97 3.17 0.00 5.51 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 6.53 4.49 0.00 3.82 4.07 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 70 F 6.02 5.12 0.00 3.43 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 71 F 9.14 4.12 0.00 2.91 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 6.30 3.97 0.00 1.58 1.51 0.71 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.13 4.29 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 1.20 0.00 0.00 74 P 0.00 4.36 0.00 2.29 2.14 0.00 3.84 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.23 0.00 75 D 8.99 4.70 0.00 2.68 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 76 S 7.41 5.01 0.00 4.20 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 0.00 77 F 8.88 4.27 0.00 3.10 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 78 E 8.37 3.53 0.00 2.07 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 2.29 2.40 0.00 79 Q 7.69 4.02 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 80 K 8.35 3.97 0.00 1.96 1.92 0.00 1.86 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.67 1.64 7.81 81 V 7.39 3.50 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 1.01 0.00 0.00 -0.36 0.00 0.00 82 L 7.60 3.81 0.00 1.69 1.41 0.50 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 83 N 7.92 4.26 0.00 3.03 2.97 0.00 0.00 7.20 7.57 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 84 V 7.87 3.88 2.17 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 1.24 0.00 0.00 1.13 0.00 0.00 85 S 8.02 4.44 0.00 4.03 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 F 8.69 4.52 0.00 2.92 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 7.74 3.32 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 88 F 8.59 4.46 0.00 3.11 3.32 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 89 E 8.69 3.48 0.00 2.19 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 2.18 2.47 0.00 90 L 7.62 4.11 0.00 1.45 1.63 0.79 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 91 M 7.77 4.02 0.00 2.16 2.42 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.73 0.00 92 Q 8.01 4.13 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.52 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 93 D 7.70 4.59 0.00 2.77 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 94 G 7.98 3.84 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 0.00 0.00 0.00 95 G 9.34 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 9.39 3.40 0.00 1.86 1.91 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.88 3.55 0.00 2.05 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 2.29 2.31 0.00 98 K 8.60 4.46 0.00 1.78 1.80 0.00 1.81 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 1.54 1.53 7.81 99 P 0.00 4.41 0.00 1.83 1.89 0.00 3.15 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.84 0.00 100 K 8.47 4.12 0.00 1.81 1.89 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.41 7.81 101 P 0.00 4.62 0.00 2.14 2.09 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.10 0.00 102 R 8.18 4.63 0.00 1.84 1.79 0.00 3.17 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 103 P 0.00 4.26 0.00 2.17 2.30 0.00 3.54 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 104 E 8.20 4.09 0.00 2.11 2.26 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 2.46 2.43 0.00 105 D 7.85 4.25 0.00 2.90 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 0.00 106 I 7.70 4.24 2.01 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 1.68 1.92 0.69 0.00 0.00 107 V 8.22 3.88 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.20 0.00 0.00 108 N 9.04 4.36 0.00 3.03 3.09 0.00 0.00 6.79 7.07 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 0.00 109 C 8.51 4.19 0.00 3.09 2.98 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 0.00 110 D 8.02 4.64 0.00 2.79 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 0.00 111 L 8.58 4.29 0.00 1.89 1.76 1.10 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 112 K 7.24 4.25 0.00 1.88 1.64 0.00 1.43 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.88 1.30 7.81 113 S 8.05 4.28 0.00 4.05 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 0.00 114 T 7.70 3.70 4.53 0.00 0.00 0.00 0.00 0.00 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 0.00 115 L 8.39 4.02 0.00 1.99 1.71 0.90 0.59 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 0.00 116 R 8.37 3.87 0.00 2.14 2.02 0.00 3.13 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 117 V 7.66 3.58 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 0.99 0.00 0.00 0.90 0.00 0.00 118 L 7.92 3.99 0.00 1.82 1.75 1.18 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 8.27 3.90 0.00 3.14 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 0.00 120 N 7.79 4.27 0.00 2.98 2.94 0.00 0.00 7.42 9.15 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 0.00 121 L 7.87 4.05 0.00 1.82 1.07 1.05 1.14 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 0.00 122 F 8.10 3.13 0.00 2.99 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 0.00 123 T 7.45 3.67 4.33 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 1.15 0.00 0.00 124 K 8.12 4.09 0.00 1.97 1.82 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.61 7.81 125 Y 7.73 4.30 0.00 2.53 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 0.00 126 R 7.41 3.58 0.00 1.57 2.08 0.00 3.24 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 127 N 7.92 4.61 0.00 2.67 2.78 0.00 0.00 6.71 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 0.00 128 V 6.91 4.12 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 0.47 0.00 0.00 0.78 0.00 0.00 129 E 8.83 4.17 0.00 1.99 1.88 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 2.30 2.26 0.00