NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.4169 8.4093 118.2007 53.2078 38.5439 172.7617 4 Y 4.6674 7.0688 116.3495 54.8438 40.8319 171.4754 5 T 4.8015 9.0494 110.2639 59.8600 73.1031 173.8945 6 Y 4.9848 8.8990 119.7721 57.9116 39.3067 174.7984 7 I 4.6926 8.7700 123.5921 59.0258 40.4777 175.4781 8 K 4.5594 10.1445 130.1060 55.5490 32.8230 176.3080 9 P 4.5393 0.0000 0.0000 66.0224 31.1831 178.9472 10 E 4.5365 8.2375 118.3166 59.1120 29.4846 179.0446 11 E 4.0084 8.2111 118.1508 59.0311 29.5447 178.9662 12 L 3.8761 7.9225 120.4557 58.4341 42.2628 179.4759 13 V 3.5916 8.1081 112.6105 64.1960 30.7851 178.1446 14 E 3.8790 8.2405 119.1264 59.4403 29.2625 178.9650 15 L 4.0214 7.4708 117.0432 57.8216 41.7035 179.2737 16 L 4.1530 7.7589 118.1687 57.6293 41.6073 178.8391 17 D 4.6237 7.9012 118.3540 55.6407 41.3041 176.2586 18 N 4.1755 7.5205 117.9594 53.6105 38.9691 173.5078 19 P 4.4032 0.0000 0.0000 65.3782 31.7022 177.5316 20 D 4.4332 7.9582 118.4490 57.2123 41.2151 177.1136 21 S 4.4098 7.6790 110.5377 59.2381 62.8183 175.3021 22 L 4.1550 7.7426 121.9558 58.4458 41.3163 179.1938 23 V 3.8210 7.3553 110.0919 63.1188 31.9528 177.0344 24 K 4.2669 8.0108 118.1714 56.5888 32.3538 175.6000 25 A 5.2783 7.7659 120.2865 49.9160 21.7301 175.6262 26 A 4.6928 9.3823 123.0484 49.9233 22.9051 175.1907 27 V 4.4458 8.1588 120.1899 61.1575 34.3051 174.2637 28 I 4.4401 8.6958 130.5564 59.5796 39.0542 174.5786 29 D 4.6087 9.0127 129.1831 53.4184 42.0401 175.9164 30 C 5.2122 8.8002 123.8081 59.0253 29.6265 174.4550 31 R 4.6077 8.3669 120.2636 55.8743 31.4655 176.1707 32 D 4.7406 9.1995 117.1128 54.1072 39.9575 177.2978 33 S 4.3731 9.0466 116.8667 59.0373 64.4950 175.2065 34 D 4.7321 7.8505 120.2961 52.9839 39.9183 178.1387 35 R 3.7627 7.4422 116.3818 59.7029 29.2450 177.3810 36 D 4.6897 7.8802 114.8072 54.5400 41.1361 176.4006 37 C 4.0900 7.8116 121.1996 61.1384 31.5744 173.8644 38 G 4.0999 6.9777 105.1752 46.5124 0.0000 171.8067 39 F 4.0852 7.1085 114.3334 55.0812 41.7187 173.4899 40 I 4.5826 8.4940 121.2252 61.0666 38.1429 176.2997 41 V 3.5873 8.3552 126.0970 62.9246 31.7255 175.1983 42 N 4.1681 8.8478 118.2043 53.9845 36.2716 174.5299 43 S 4.3749 7.5904 111.3953 58.7757 64.0159 173.3992 44 I 4.2049 8.5954 122.9813 59.9473 39.0512 174.4596 45 N 4.8592 8.5572 125.8872 53.2559 39.4933 174.3185 46 M 4.5506 8.3475 128.4193 52.4083 32.6336 170.5786 47 P 4.5752 0.0000 0.0000 62.2544 31.7379 177.4193 48 T 4.1067 8.6742 122.4780 65.8857 68.6754 176.6438 49 I 3.9488 7.8765 119.8033 63.0701 38.0769 176.0668 50 S 4.7094 7.8706 111.4326 57.6154 64.0237 174.1153 51 C 4.2761 7.5753 120.2017 59.9596 28.6246 172.8476 52 T 4.7609 8.0016 112.0360 59.2452 71.6211 174.5035 53 E 4.0726 9.0532 122.1261 59.9652 29.3635 178.6629 54 E 4.0350 8.3052 118.3121 59.5426 29.6584 178.5240 55 M 4.1124 8.0796 118.9026 58.4635 32.0604 178.3011 56 Y 4.2496 7.9775 116.4447 60.7872 38.2276 177.3447 57 E 4.1667 8.3256 119.7240 59.8114 29.7022 179.8496 58 K 4.0526 8.6080 118.4064 59.2476 32.0213 179.0376 59 L 3.9498 8.1445 120.3888 58.2494 42.0797 178.5296 60 A 4.3491 9.2872 121.8454 55.4457 18.2296 179.3592 61 K 3.8713 8.4288 117.6514 60.1157 32.3189 178.8645 62 T 3.8940 8.4953 116.1100 66.7909 68.4973 176.6252 63 L 3.9778 8.3273 120.8871 57.7334 41.6522 178.8000 64 F 3.9504 8.1840 120.5102 61.9034 38.8500 176.6465 65 E 3.6955 8.3513 116.7201 60.1337 29.4702 179.1080 66 E 4.0776 8.0642 114.7661 56.6659 29.3614 177.7619 67 K 3.8084 7.8943 117.6124 56.6847 30.2143 176.4790 68 K 4.2266 7.6806 117.8235 56.7818 32.5101 176.5835 69 E 4.7825 9.3376 120.0648 56.3871 32.7893 175.8938 70 L 5.3986 7.9264 118.7615 52.8702 46.1099 175.1348 71 A 4.8956 9.3990 126.1039 50.3541 21.2558 175.5525 72 V 4.7161 8.9614 124.1623 61.9548 33.2265 174.7261 73 F 4.8426 9.4923 128.6787 56.9265 40.4831 174.9339 74 H 5.3808 9.2618 118.1672 53.8573 32.1642 171.9796 75 C 5.3299 8.6651 115.0188 58.7257 32.6277 176.1766 76 A 4.3200 9.0774 115.6667 54.4274 17.8935 179.0480 77 Q 4.7346 8.2741 111.1823 54.9244 30.5562 176.0078 78 S 4.0780 8.1673 112.4422 59.7796 60.4857 172.9382 79 L 4.6207 7.5271 120.8931 55.1068 42.7914 176.7713 80 V 4.3019 7.3818 114.5788 64.3591 34.1904 177.5770 81 R 4.0033 7.9438 117.6885 59.0540 30.1562 178.9332 82 A 4.0518 7.9277 120.1147 54.8086 18.4770 177.7008 83 P 3.7106 0.0000 0.0000 65.3730 31.2423 178.7461 84 K 4.0017 7.8819 118.1447 58.9963 32.0779 178.8709 85 G 3.8773 8.3719 106.4116 47.9890 0.0000 175.3141 86 A 2.8800 7.7319 123.9418 54.2905 18.2933 179.2580 87 N 4.2237 8.1359 115.1107 56.7761 38.6768 177.9182 88 R 3.6619 7.9571 119.5208 58.7893 29.9826 178.7706 89 F 4.2146 8.2687 120.7011 61.4602 39.4466 177.0388 90 A 3.8388 8.2109 120.5643 54.9260 18.0136 179.4267 91 L 3.7684 7.6901 118.6340 58.2298 42.2216 178.9370 92 A 3.9091 7.9132 120.7027 55.2174 18.2207 179.7607 93 Q 3.7676 7.6549 116.3917 58.8340 28.8235 178.4276 94 K 3.6694 7.8300 120.5660 59.4052 31.9673 178.2009 95 K 3.6428 7.7403 118.8197 59.5927 31.9686 177.3123 96 L 3.9348 7.7247 114.8193 53.9086 41.8600 176.6869 97 G 3.7109 7.2119 106.7711 46.8279 0.0000 173.3721 98 Y 4.7776 7.5922 115.0120 56.2498 40.1767 176.9710 99 V 4.3805 8.4091 114.1138 61.0479 33.5173 175.8491 100 L 5.0037 7.7481 119.0123 51.6151 44.9300 174.3839 101 P 4.7250 0.0000 0.0000 63.0227 32.0808 175.7819 102 A 4.3907 9.1580 123.0757 51.9877 20.3575 176.4245 103 V 4.7838 7.9735 118.6176 61.4303 34.1663 174.1173 104 Y 5.3540 9.4846 124.9929 56.2451 42.4177 174.4099 105 V 4.6956 8.1618 121.9424 60.6880 33.9770 174.2023 106 L 4.5722 8.7451 130.4518 55.3740 43.0078 176.5325 107 R 4.2167 8.5979 126.2909 58.3707 30.6729 177.6614 108 G 3.9262 9.1701 111.0543 44.3075 0.0000 174.5905 109 G 4.3366 8.0100 108.9014 45.0973 0.0000 173.5726 110 W 4.2970 8.8909 127.1590 60.7948 30.4764 179.1010 111 E 3.9857 8.6527 118.1491 59.3234 28.9838 179.1053 112 A 3.9997 7.9038 120.2196 55.1248 18.4975 179.2570 113 F 4.1086 8.1443 119.0981 61.9203 39.4965 176.8263 114 Y 3.5743 7.8961 119.0873 60.3003 38.1883 177.0921 115 H 4.1069 7.9976 119.0676 59.2277 30.0479 176.4823 116 M 3.8336 8.1680 119.1772 57.2464 32.5363 176.0106 117 Y 4.3249 7.3396 113.4740 56.6069 40.2973 177.2077 118 G 2.6938 7.4077 109.5976 47.9396 0.0000 174.5370 119 D 4.4010 7.5440 117.7408 55.1389 40.3335 177.8437 120 V 3.6519 7.6190 118.3457 64.9998 32.2252 175.9698 121 R 4.8313 8.1082 118.3871 54.6954 30.6766 174.7430 122 P 4.3899 0.0000 0.0000 64.4950 31.9112 177.9537 123 D 4.3562 7.8283 118.0099 55.3277 39.9189 176.9960 124 L 4.4695 7.9816 118.2709 55.3911 41.8166 176.3606 125 M 5.0299 7.7270 119.4383 54.0613 34.3060 174.0389 126 Y 4.6275 8.7302 121.8751 56.3856 40.9079 175.4121 127 V 4.7208 8.3555 114.2567 59.7145 36.6504 174.2468 128 K 5.2604 8.6771 120.0670 55.0317 34.6824 176.0050 129 L 4.4876 8.3094 123.2098 54.8084 46.0356 177.3547 130 G 4.2545 8.8578 114.8271 44.0811 0.0000 172.1219 131 P 4.2598 0.0000 0.0000 64.9445 31.2724 177.2921 132 E 4.3531 8.1254 114.8274 55.3916 30.4726 175.7586 133 Q 3.3335 9.2765 117.1087 56.6963 26.5444 173.8421 134 K 4.5301 7.9757 118.1345 54.9154 34.4813 178.2991 135 L 4.5094 8.5774 123.9865 55.9673 42.4201 176.5242 136 I 4.5301 8.6952 120.6231 60.1714 42.1098 174.0179 137 S 3.7544 8.2717 123.2990 57.5042 64.0440 175.0764 138 E 3.9166 8.6547 122.2274 59.2963 29.0075 178.8094 139 E 3.8063 8.0590 119.4137 59.7682 29.4841 178.4854 140 D 4.3759 8.0185 118.1638 57.7454 41.0700 179.1855 141 L 3.9855 7.7865 118.9356 57.9657 41.3633 179.5166 142 N 4.3078 8.1570 115.6844 56.4154 38.7967 177.2672 143 S 4.2442 8.3162 116.5372 61.7027 62.7334 176.7800 144 A 4.0605 8.1820 122.4904 54.8573 18.1686 179.4076 145 V 3.8737 7.5089 115.5675 64.0149 31.6699 175.7429 146 D 4.3405 7.6427 119.0472 55.0032 40.7676 176.0465 147 H 4.4071 8.6573 120.7001 56.3195 28.9408 174.6216 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 3 N 8.41 4.42 0.00 2.55 2.74 0.00 0.00 5.87 6.66 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 4 Y 7.07 4.67 0.00 2.92 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 5 T 9.05 4.80 4.39 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 1.18 0.00 0.00 6 Y 8.90 4.98 0.00 3.02 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 7 I 8.77 4.69 1.83 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.40 1.03 0.00 0.00 8 K 10.14 4.56 0.00 1.94 1.87 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.69 7.81 9 P 0.00 4.54 0.00 2.49 2.57 0.00 3.72 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 10 E 8.24 4.54 0.00 2.14 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 2.49 2.55 0.00 11 E 8.21 4.01 0.00 2.17 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 2.42 2.41 0.00 12 L 7.92 3.88 0.00 1.78 1.91 0.85 0.64 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 13 V 8.11 3.59 1.70 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 -0.05 0.00 0.00 0.65 0.00 0.00 14 E 8.24 3.88 0.00 2.20 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 2.30 2.36 0.00 15 L 7.47 4.02 0.00 1.71 1.68 0.81 1.23 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 16 L 7.76 4.15 0.00 1.80 1.75 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.90 4.62 0.00 2.65 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 18 N 7.52 4.18 0.00 2.97 2.79 0.00 0.00 6.95 7.59 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 19 P 0.00 4.40 0.00 2.26 2.16 0.00 3.81 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 1.98 2.01 0.00 20 D 7.96 4.43 0.00 2.73 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 21 S 7.68 4.41 0.00 3.89 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 22 L 7.74 4.16 0.00 1.90 1.67 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.36 3.82 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 0.64 0.00 0.00 0.99 0.00 0.00 24 K 8.01 4.27 0.00 1.82 1.83 0.00 1.60 0.00 0.00 2.03 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.62 7.81 25 A 7.77 5.28 1.22 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 26 A 9.38 4.69 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.16 4.45 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 0.87 0.00 0.00 0.86 0.00 0.00 28 I 8.70 4.44 0.56 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.03 0.63 0.00 0.00 29 D 9.01 4.61 0.00 2.54 2.40 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 30 C 8.80 5.21 0.00 3.01 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 31 R 8.37 4.61 0.00 1.95 2.06 0.00 3.12 0.00 0.00 3.50 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.64 0.00 32 D 9.20 4.74 0.00 2.77 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 9.05 4.37 0.00 3.99 4.01 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 0.00 0.00 0.00 34 D 7.85 4.73 0.00 2.84 2.94 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 35 R 7.44 3.76 0.00 1.80 2.00 0.00 2.86 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.43 0.00 36 D 7.88 4.69 0.00 2.67 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 37 C 7.81 4.09 0.00 2.96 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 38 G 6.98 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 0.00 0.00 0.00 0.00 39 F 7.11 4.09 0.00 2.99 2.80 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 40 I 8.49 4.58 1.96 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.93 0.00 0.00 41 V 8.36 3.59 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.51 0.00 0.00 42 N 8.85 4.17 0.00 2.79 2.84 0.00 0.00 7.01 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 43 S 7.59 4.37 0.00 3.78 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 44 I 8.60 4.20 1.69 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.45 0.79 0.00 0.00 45 N 8.56 4.86 0.00 2.55 2.60 0.00 0.00 6.85 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 46 M 8.35 4.55 0.00 2.17 1.77 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 47 P 0.00 4.58 0.00 2.13 2.31 0.00 3.85 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.78 0.00 48 T 8.67 4.11 4.30 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 1.27 0.00 0.00 49 I 7.88 3.95 1.89 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 1.48 0.76 0.92 0.00 0.00 50 S 7.87 4.71 0.00 3.98 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.58 4.28 0.00 3.16 2.42 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 52 T 8.00 4.76 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 53 E 9.05 4.07 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 54 E 8.31 4.04 0.00 2.10 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 2.40 2.44 0.00 55 M 8.08 4.11 0.00 1.89 2.09 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 56 Y 7.98 4.25 0.00 3.31 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 57 E 8.33 4.17 0.00 2.24 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 2.37 2.65 0.00 58 K 8.61 4.05 0.00 1.79 1.89 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.69 7.81 59 L 8.14 3.95 0.00 2.04 2.17 0.75 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 60 A 9.29 4.35 1.40 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 0.00 0.00 61 K 8.43 3.87 0.00 2.17 2.06 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.62 1.73 7.81 62 T 8.50 3.89 4.41 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 1.21 0.00 0.00 63 L 8.33 3.98 0.00 1.87 1.80 0.85 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.18 3.95 0.00 2.44 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 65 E 8.35 3.70 0.00 2.03 1.95 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 2.47 2.55 0.00 66 E 8.06 4.08 0.00 1.90 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 2.31 2.46 0.00 67 K 7.89 3.81 0.00 1.79 1.89 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.26 1.26 7.81 68 K 7.68 4.23 0.00 1.81 1.77 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.55 7.81 69 E 9.34 4.78 0.00 1.87 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 2.27 2.28 0.00 70 L 7.93 5.40 0.00 1.62 1.63 0.94 0.62 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 71 A 9.40 4.90 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 72 V 8.96 4.72 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 0.99 0.00 0.00 0.92 0.00 0.00 73 F 9.49 4.84 0.00 3.09 2.93 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 74 H 9.26 5.38 0.00 3.28 3.40 0.00 5.40 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 C 8.67 5.33 0.00 3.03 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 76 A 9.08 4.32 1.46 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 77 Q 8.27 4.73 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 6.34 0.00 0.00 0.00 0.00 0.00 2.54 2.41 0.00 78 S 8.17 4.08 0.00 4.21 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.53 4.62 0.00 1.83 1.75 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.38 4.30 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 1.08 0.00 0.00 0.97 0.00 0.00 81 R 7.94 4.00 0.00 1.94 2.00 0.00 3.21 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 82 A 7.93 4.05 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 83 P 0.00 3.71 0.00 2.19 2.15 0.00 3.66 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 2.28 2.19 0.00 84 K 7.88 4.00 0.00 1.84 2.02 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.40 7.81 85 G 8.37 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 86 A 7.73 2.88 0.66 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 87 N 8.14 4.22 0.00 2.82 2.84 0.00 0.00 7.10 8.48 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 88 R 7.96 3.66 0.00 0.86 0.97 0.00 3.03 0.00 0.00 2.70 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.54 0.00 89 F 8.27 4.21 0.00 3.30 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 90 A 8.21 3.84 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 91 L 7.69 3.77 0.00 1.91 1.72 0.84 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.91 3.91 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 93 Q 7.65 3.77 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.70 0.00 0.00 0.00 0.00 0.00 2.14 1.54 0.00 94 K 7.83 3.67 0.00 1.79 1.87 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.39 7.81 95 K 7.74 3.64 0.00 1.66 1.86 0.00 1.80 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.37 7.81 96 L 7.72 3.93 0.00 1.01 1.00 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 97 G 7.21 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 0.00 0.00 0.00 98 Y 7.59 4.78 0.00 2.81 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 99 V 8.41 4.38 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 0.75 0.00 0.00 1.01 0.00 0.00 100 L 7.75 5.00 0.00 1.78 1.82 1.01 1.13 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 0.00 101 P 0.00 4.72 0.00 2.37 2.21 0.00 4.02 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.20 0.00 102 A 9.16 4.39 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 0.00 103 V 7.97 4.78 2.25 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 1.05 0.00 0.00 1.21 0.00 0.00 104 Y 9.48 5.35 0.00 2.93 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 0.00 105 V 8.16 4.70 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 1.01 0.00 0.00 -0.01 0.00 0.00 106 L 8.75 4.57 0.00 1.90 1.69 1.07 0.75 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 0.00 107 R 8.60 4.22 0.00 2.00 1.97 0.00 3.31 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 108 G 9.17 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 0.00 109 G 8.01 4.34 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 0.00 110 W 8.89 4.30 0.00 3.61 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 0.00 111 E 8.65 3.99 0.00 2.24 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 2.50 2.66 0.00 112 A 7.90 4.00 1.44 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 0.00 0.00 0.00 113 F 8.14 4.11 0.00 3.14 2.94 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 0.00 114 Y 7.90 3.57 0.00 1.94 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.00 4.11 0.00 3.23 3.47 0.00 6.00 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 M 8.17 3.83 0.00 1.74 1.86 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.20 0.00 117 Y 7.34 4.32 0.00 2.50 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.41 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 0.00 0.00 0.00 119 D 7.54 4.40 0.00 2.66 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 0.00 120 V 7.62 3.65 1.95 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 0.81 0.00 0.00 0.76 0.00 0.00 121 R 8.11 4.83 0.00 1.97 1.73 0.00 3.58 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 122 P 0.00 4.39 0.00 2.25 2.25 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.90 0.00 123 D 7.83 4.36 0.00 2.82 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 0.00 124 L 7.98 4.47 0.00 1.76 2.03 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 125 M 7.73 5.03 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.68 0.00 126 Y 8.73 4.63 0.00 2.55 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 0.00 0.00 0.00 0.00 127 V 8.36 4.72 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 0.71 0.00 0.00 0.91 0.00 0.00 128 K 8.68 5.26 0.00 1.74 1.89 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.67 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.62 1.69 7.81 129 L 8.31 4.49 0.00 1.74 1.45 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.86 4.25 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 0.00 131 P 0.00 4.26 0.00 2.06 2.13 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 132 E 8.13 4.35 0.00 1.95 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 2.24 2.31 0.00 133 Q 9.28 3.33 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 134 K 7.98 4.53 0.00 1.78 1.75 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.39 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.58 1.44 7.81 135 L 8.58 4.51 0.00 1.63 1.79 1.23 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 136 I 8.70 4.53 1.92 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 1.23 1.10 0.98 0.00 0.00 137 S 8.27 3.75 0.00 3.29 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 0.00 138 E 8.65 3.92 0.00 2.15 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 2.33 2.48 0.00 139 E 8.06 3.81 0.00 1.96 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 2.29 2.36 0.00 140 D 8.02 4.38 0.00 2.98 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 0.00 141 L 7.79 3.99 0.00 1.92 1.71 0.91 0.76 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 0.00 142 N 8.16 4.31 0.00 2.93 2.86 0.00 0.00 7.09 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 0.00 143 S 8.32 4.24 0.00 4.01 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 0.00 144 A 8.18 4.06 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 0.00 145 V 7.51 3.87 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 0.85 0.00 0.00 0.96 0.00 0.00 146 D 7.64 4.34 0.00 2.88 2.58 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 0.00 147 H 8.66 4.41 0.00 3.21 3.21 0.00 5.73 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