NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4720 8.1933 116.7995 58.1642 64.6266 173.9485 5 D 4.3675 8.9442 125.3731 57.4722 40.5999 178.2198 6 L 4.0317 8.0253 119.0800 57.8080 42.1399 179.3214 7 V 3.6617 7.7756 117.6826 66.2426 31.5763 177.7865 8 T 3.8643 7.5180 114.3216 66.5926 68.1207 176.1143 9 K 3.8015 8.1140 120.1470 59.5794 32.4290 177.8340 10 F 4.3223 8.7319 121.0422 61.7777 39.0937 177.0456 11 E 3.9010 8.5233 117.3403 57.9454 29.2975 179.0148 12 S 4.1995 7.6560 113.9811 59.7039 63.7240 174.5999 13 L 4.1065 7.4497 123.9707 53.6456 42.3055 177.6767 14 I 3.5703 8.2987 123.3244 63.8701 38.4965 177.3943 15 I 2.0000 7.3158 120.2577 62.9784 37.7170 177.4642 16 S 3.7116 7.3452 114.1802 59.8453 62.6439 175.3611 17 K 4.3884 7.6873 119.4049 56.2785 32.6196 176.3563 18 Y 4.3418 7.3373 117.8245 57.3190 38.2142 174.3005 19 P 4.4676 0.0000 0.0000 62.2642 32.0384 176.1803 20 V 4.4796 8.2847 122.1513 59.8398 33.7026 175.4693 21 S 4.5413 8.4891 118.3775 55.4838 62.4130 172.6389 22 F 4.7956 8.4747 124.3779 57.7274 39.5751 176.3669 23 T 4.2925 9.1948 115.7127 61.1451 70.7759 175.7708 24 K 4.0292 8.7205 120.7367 59.9570 31.9018 179.0969 25 E 4.0412 8.0561 117.9438 58.8852 29.5840 178.9430 26 Q 3.7052 8.0089 118.2307 58.8268 28.6984 178.5065 27 S 4.3113 8.4426 116.3886 61.8655 62.9412 176.7288 28 A 4.0025 8.2449 123.3569 55.3390 18.0875 179.7504 29 Q 3.9176 8.0320 116.2983 58.8783 28.8026 178.7230 30 A 4.1211 8.3372 121.9636 55.3574 18.5116 179.6015 31 A 4.0258 8.2690 119.3152 55.0861 18.3946 179.5155 32 Q 3.7500 8.0463 118.1743 59.4139 29.0669 178.9417 33 W 4.1672 8.1764 119.5842 59.1795 28.9938 178.3081 34 E 4.0120 8.4590 120.0008 59.4386 29.0560 179.0919 35 S 4.2990 8.0940 114.2309 61.2004 63.0271 176.6210 36 V 3.4821 7.7113 121.8800 65.7898 31.3641 177.6171 37 L 4.0410 8.2539 119.0035 58.2285 41.4055 180.0578 38 K 4.1174 8.4681 116.8319 58.5027 31.9642 178.5046 39 S 4.6931 7.6386 112.6944 57.0698 63.3532 174.1172 40 G 3.9926 7.9038 109.5151 47.3746 0.0000 174.2500 41 Q 4.7188 7.7644 115.7564 55.4895 29.4849 177.7761 42 I 4.0467 7.9133 121.7949 64.4921 37.8877 178.3089 43 Q 3.9861 8.3667 120.9196 58.7477 28.7486 176.4026 44 P 4.5134 0.0000 0.0000 64.8150 31.7004 176.6331 45 H 4.7463 7.8463 115.6259 55.7854 28.8822 176.5360 46 L 4.0974 7.8999 123.6197 58.1734 41.5138 179.0828 47 D 4.5302 8.2513 118.2175 57.5166 40.8258 178.5396 48 Q 4.0283 8.1464 119.5713 58.9594 29.0476 177.8329 49 L 4.0397 8.5627 121.8912 58.2656 42.3046 178.2999 50 N 4.2906 8.7323 117.3852 56.7429 38.5055 176.5463 51 L 3.9351 8.1634 121.5844 58.0073 42.1903 178.7678 52 V 3.5210 8.2765 118.6388 66.3721 31.2343 178.0321 53 L 4.1950 7.8086 117.8110 56.3908 41.4454 178.9985 54 R 3.7152 7.4963 118.2361 58.6941 30.0957 176.6843 55 D 4.7363 7.3523 115.1714 53.9900 42.1239 175.9548 56 N 4.9480 7.7591 117.0198 51.2694 41.7032 175.4433 57 T 3.6003 8.6141 119.9998 65.7988 68.8929 174.1197 58 F 5.1836 7.3715 117.5007 55.1001 42.8056 175.9853 59 I 3.4060 9.0379 123.4270 64.1948 36.7580 177.8103 60 V 4.1247 7.6700 117.1963 62.3876 31.4861 175.1607 61 S 3.7005 7.7510 111.5223 59.4200 60.4548 172.0170 62 T 4.6168 7.8634 108.6665 60.0713 70.9656 174.1938 63 L 4.1828 8.2625 120.1713 56.2548 42.0809 176.8483 64 Y 4.7875 7.3585 114.5098 55.0165 41.9581 173.0097 65 P 3.7621 0.0000 0.0000 62.9981 32.0248 175.9075 66 T 4.7829 8.6508 111.0007 59.5196 72.8707 175.2361 67 S 3.6065 8.4414 114.7483 61.2232 62.7999 176.4801 68 T 3.9029 7.8868 119.4634 66.7228 68.1781 175.8266 69 D 4.5412 7.5402 120.2874 57.4909 40.8899 179.1604 70 V 3.4899 7.2334 118.0308 66.3450 31.1117 177.8491 71 H 4.3297 8.1711 116.0394 58.8404 28.5444 178.0702 72 V 3.6059 7.9529 120.1910 65.8645 31.2860 177.7440 73 F 4.3355 8.8396 120.8860 61.5041 38.9538 176.6089 74 E 3.6199 8.1893 117.6748 58.9513 29.3804 178.5401 75 V 3.8217 7.3358 117.4433 65.3991 31.8765 177.9135 76 A 3.9972 8.5281 120.9005 54.8443 18.1478 179.1108 77 L 3.7482 7.7816 119.3848 57.8711 42.0191 177.4731 78 P 4.2073 0.0000 0.0000 65.7167 31.1059 178.0413 79 L 3.8786 7.6011 119.8427 58.1016 42.1700 179.0241 80 I 3.5998 8.3076 120.0553 64.1933 36.9654 178.6051 81 K 3.9764 8.4485 119.8678 59.3075 31.8011 178.5797 82 D 4.3455 8.3639 118.6946 57.4947 40.8719 178.4878 83 L 3.9755 7.6286 117.6534 57.8287 42.0481 179.3487 84 V 3.7834 7.7653 117.6452 66.0961 31.2712 177.8078 85 A 4.0510 7.8499 119.0909 55.1824 18.3273 178.9718 86 S 4.3923 7.9442 110.5800 58.1955 63.5091 174.4782 87 S 4.3698 7.3002 117.7511 57.8196 62.6693 174.2885 88 K 4.0829 8.5849 126.1148 58.2822 32.5946 177.3450 89 D 4.2954 8.0906 118.0389 52.1235 43.1940 175.4099 90 V 3.4287 8.2673 128.7343 64.8160 31.1245 177.8551 91 K 3.6376 7.8007 119.9232 59.1932 32.0988 178.7167 92 S 4.1550 8.1702 114.0197 61.3933 62.6907 176.6738 93 T 3.9356 7.4810 118.6099 66.7863 68.4373 175.6669 94 Y 4.6343 8.3218 119.0216 61.8654 37.7396 179.2382 95 T 3.9751 8.0095 114.9930 66.7776 68.5631 176.5839 96 T 3.9861 7.4997 116.2647 65.0809 68.7736 174.4697 97 Y 4.9549 7.6301 119.0347 56.7931 39.5287 177.7865 98 R 3.8531 8.3589 121.4717 60.1726 30.1045 176.7730 99 H 4.4400 7.8513 115.0594 58.4690 28.9469 177.6230 100 I 3.8859 7.8356 121.2894 64.4838 37.0549 178.2039 101 L 4.0772 8.3526 120.0507 57.6973 41.5471 179.5027 102 R 3.9241 8.0039 118.3922 59.3909 30.0662 178.4780 103 W 4.2722 8.4074 128.1157 60.4597 30.6315 178.0106 104 I 3.4978 8.7545 120.3128 64.2967 36.1456 177.8634 105 D 4.2837 8.2795 118.9222 57.3162 40.9525 177.6102 106 Y 3.8186 7.8586 119.5593 61.0943 38.8278 178.0494 107 M 3.7221 8.0875 120.1947 58.0885 31.7511 178.8438 108 Q 4.0268 8.0303 118.1582 59.0081 28.9305 178.3603 109 N 4.2153 7.6735 118.1891 55.8399 38.3912 177.0897 110 L 3.7024 7.5884 121.3114 58.1422 42.1461 177.7518 111 L 4.2359 7.9650 115.1775 54.2651 41.7879 176.4283 112 E 3.7296 7.7190 117.1960 57.0007 27.4559 175.4706 113 V 3.7040 7.8514 117.3512 62.6172 32.6757 175.4167 114 S 4.0924 8.7135 121.6690 58.9679 63.3693 175.5520 115 S 4.1311 8.8110 119.0036 61.6385 62.3474 175.6734 116 T 4.0649 7.8337 109.1068 64.5016 68.7767 175.1575 117 D 4.5083 7.8541 120.1249 55.7251 41.3729 176.9280 118 K 4.2438 7.7136 118.8168 55.8636 32.5733 176.3688 119 L 4.0622 8.5798 127.4584 54.9416 42.4465 177.1088 120 E 4.0435 8.9006 124.9978 56.6643 29.9421 174.2050 121 I 3.6393 8.6625 125.5812 62.2580 35.9111 172.9436 122 N 4.7166 8.0847 121.3382 52.4999 37.3942 175.6522 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 4 S 8.19 4.47 0.00 4.03 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 5 D 8.94 4.37 0.00 2.81 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 6 L 8.03 4.03 0.00 1.75 1.80 0.98 0.93 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 7 V 7.78 3.66 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 1.25 0.00 0.00 1.02 0.00 0.00 8 T 7.52 3.86 4.45 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 1.22 0.00 0.00 9 K 8.11 3.80 0.00 1.82 2.05 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.68 1.52 7.81 10 F 8.73 4.32 0.00 3.12 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 11 E 8.52 3.90 0.00 1.95 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 2.61 2.39 0.00 12 S 7.66 4.20 0.00 4.00 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 13 L 7.45 4.11 0.00 1.45 1.40 0.87 0.69 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 14 I 8.30 3.57 1.85 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.05 0.97 0.00 0.00 15 I 7.32 2.00 1.32 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 1.02 0.14 0.59 0.00 0.00 16 S 7.35 3.71 0.00 3.18 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 17 K 7.69 4.39 0.00 1.83 1.87 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.46 7.81 18 Y 7.34 4.34 0.00 2.86 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 19 P 0.00 4.47 0.00 2.07 2.01 0.00 3.63 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 2.01 2.06 0.00 20 V 8.28 4.48 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 0.50 0.00 0.00 1.16 0.00 0.00 21 S 8.49 4.54 0.00 3.85 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 22 F 8.47 4.80 0.00 3.02 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 23 T 9.19 4.29 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 24 K 8.72 4.03 0.00 1.83 1.95 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.59 7.81 25 E 8.06 4.04 0.00 1.94 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 2.37 2.33 0.00 26 Q 8.01 3.71 0.00 1.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 27 S 8.44 4.31 0.00 4.06 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 28 A 8.24 4.00 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 29 Q 8.03 3.92 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 30 A 8.34 4.12 1.55 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 0.00 0.00 31 A 8.27 4.03 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 32 Q 8.05 3.75 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 1.87 2.12 0.00 33 W 8.18 4.17 0.00 3.48 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 34 E 8.46 4.01 0.00 2.25 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 2.35 2.37 0.00 35 S 8.09 4.30 0.00 4.08 4.09 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 36 V 7.71 3.48 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 1.05 0.00 0.00 0.45 0.00 0.00 37 L 8.25 4.04 0.00 2.01 1.77 1.08 1.20 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 38 K 8.47 4.12 0.00 1.77 1.89 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.53 7.81 39 S 7.64 4.69 0.00 3.97 3.95 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 40 G 7.90 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.76 4.72 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.75 6.93 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 42 I 7.91 4.05 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.43 1.00 0.00 0.00 43 Q 8.37 3.99 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 44 P 0.00 4.51 0.00 2.21 2.16 0.00 3.88 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 2.18 2.16 0.00 45 H 7.85 4.75 0.00 3.48 3.48 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.90 4.10 0.00 1.90 1.87 0.79 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.25 4.53 0.00 2.74 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 48 Q 8.15 4.03 0.00 2.15 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 49 L 8.56 4.04 0.00 1.99 1.92 0.04 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.73 4.29 0.00 3.05 3.09 0.00 0.00 6.92 6.70 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 51 L 8.16 3.94 0.00 1.83 1.86 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.28 3.52 2.23 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 0.96 0.00 0.00 1.20 0.00 0.00 53 L 7.81 4.20 0.00 1.61 1.60 -0.01 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.50 3.72 0.00 1.67 1.97 0.00 3.16 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.23 0.00 55 D 7.35 4.74 0.00 2.51 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 56 N 7.76 4.95 0.00 2.72 2.75 0.00 0.00 6.87 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.61 3.60 3.78 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 0.19 0.00 0.00 58 F 7.37 5.18 0.00 3.11 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 59 I 9.04 3.41 1.62 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.22 0.19 0.00 0.00 60 V 7.67 4.12 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 0.26 0.00 0.00 0.94 0.00 0.00 61 S 7.75 3.70 0.00 4.04 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 62 T 7.86 4.62 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 63 L 8.26 4.18 0.00 1.17 0.94 0.91 0.66 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 64 Y 7.36 4.79 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 65 P 0.00 3.76 0.00 1.95 1.58 0.00 3.67 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 66 T 8.65 4.78 4.36 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 1.45 0.00 0.00 67 S 8.44 3.61 0.00 3.93 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 68 T 7.89 3.90 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 1.17 0.00 0.00 69 D 7.54 4.54 0.00 2.88 2.87 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 70 V 7.23 3.49 1.76 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 0.96 0.00 0.00 -0.06 0.00 0.00 71 H 8.17 4.33 0.00 3.28 3.34 0.00 5.69 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 72 V 7.95 3.61 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 0.63 0.00 0.00 0.76 0.00 0.00 73 F 8.84 4.34 0.00 2.88 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 74 E 8.19 3.62 0.00 2.15 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 2.31 2.27 0.00 75 V 7.34 3.82 2.23 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 0.98 0.00 0.00 1.02 0.00 0.00 76 A 8.53 4.00 1.55 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 0.00 0.00 77 L 7.78 3.75 0.00 0.90 1.15 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.21 0.00 2.25 2.23 0.00 3.59 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.93 0.00 79 L 7.60 3.88 0.00 1.73 1.81 0.90 1.03 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 80 I 8.31 3.60 1.94 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.52 0.92 0.00 0.00 81 K 8.45 3.98 0.00 1.99 1.85 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.43 7.81 82 D 8.36 4.35 0.00 2.90 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 83 L 7.63 3.98 0.00 1.81 1.78 0.69 0.92 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 84 V 7.77 3.78 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 1.12 0.00 0.00 1.21 0.00 0.00 85 A 7.85 4.05 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 86 S 7.94 4.39 0.00 4.09 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 87 S 7.30 4.37 0.00 4.06 3.87 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 88 K 8.58 4.08 0.00 1.77 1.84 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.48 7.81 89 D 8.09 4.30 0.00 2.75 2.48 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 90 V 8.27 3.43 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 0.68 0.00 0.00 0.23 0.00 0.00 91 K 7.80 3.64 0.00 1.74 1.93 0.00 1.70 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.50 7.81 92 S 8.17 4.16 0.00 4.10 4.18 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 93 T 7.48 3.94 4.47 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 1.48 0.00 0.00 94 Y 8.32 4.63 0.00 3.15 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 95 T 8.01 3.98 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 1.20 0.00 0.00 96 T 7.50 3.99 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 0.59 0.00 0.00 97 Y 7.63 4.95 0.00 3.09 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.36 3.85 0.00 1.74 1.56 0.00 3.15 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 99 H 7.85 4.44 0.00 3.38 3.42 0.00 5.68 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 0.00 100 I 7.84 3.89 2.17 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.80 1.16 0.00 0.00 101 L 8.35 4.08 0.00 1.86 1.68 0.81 1.07 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 0.00 102 R 8.00 3.92 0.00 1.96 2.19 0.00 3.08 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 103 W 8.41 4.27 0.00 3.40 3.47 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 0.00 104 I 8.75 3.50 2.03 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.07 1.03 0.00 0.00 105 D 8.28 4.28 0.00 2.88 2.87 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 0.00 106 Y 7.86 3.82 0.00 3.18 3.01 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 0.00 107 M 8.09 3.72 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.84 0.00 108 Q 8.03 4.03 0.00 2.36 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.55 2.38 0.00 109 N 7.67 4.22 0.00 2.75 2.74 0.00 0.00 6.53 6.40 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 0.00 110 L 7.59 3.70 0.00 1.18 1.66 0.85 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.96 4.24 0.00 1.67 1.69 0.83 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 112 E 7.72 3.73 0.00 2.11 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 2.21 2.18 0.00 113 V 7.85 3.70 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 0.78 0.00 0.00 1.08 0.00 0.00 114 S 8.71 4.09 0.00 3.92 3.81 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 0.00 115 S 8.81 4.13 0.00 3.82 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 0.00 116 T 7.83 4.06 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 0.00 117 D 7.85 4.51 0.00 2.80 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 0.00 118 K 7.71 4.24 0.00 1.94 1.75 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.66 7.81 119 L 8.58 4.06 0.00 1.61 1.59 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.90 4.04 0.00 2.03 1.76 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 2.23 1.88 0.00 121 I 8.66 3.64 1.87 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 1.27 1.10 0.91 0.00 0.00 122 N 8.08 4.72 0.00 2.90 2.70 0.00 0.00 6.50 7.56 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