NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3567 8.4293 121.4718 55.7296 31.7125 175.9379 3 S 4.4731 7.4782 112.0490 55.4088 65.8583 173.2671 4 K 3.9774 8.6010 124.8820 59.3177 33.3108 179.5555 5 R 4.0266 7.9347 113.6790 57.6074 29.4069 176.9594 6 N 4.7781 7.9872 115.6284 53.1328 39.0341 174.5840 7 K 4.4693 7.5556 120.5608 54.3679 33.3049 174.5797 8 P 4.7786 0.0000 0.0000 63.4036 32.2527 175.3415 9 G 3.9035 8.4238 108.0879 45.7746 0.0000 171.8917 10 K 5.1412 8.3365 119.0663 54.2642 34.0501 176.7250 11 A 4.6795 8.8670 126.9153 52.3918 19.6764 176.5230 12 T 4.8627 8.9379 110.7469 60.1229 73.1186 173.6038 13 G 3.9098 9.0590 107.5192 45.2175 0.0000 173.3436 14 K 4.0565 9.2808 119.6567 56.1852 33.0632 178.1432 15 G 4.1995 8.4591 107.0263 44.7619 0.0000 172.4065 16 K 4.6742 8.0252 116.0691 53.7401 36.2667 174.2089 17 P 4.8358 0.0000 0.0000 62.3315 31.7329 176.3592 18 V 4.5516 8.0698 114.7292 59.4845 35.6197 174.4348 19 G 4.3925 8.0286 108.6348 44.0273 0.0000 172.7948 20 D 4.6995 8.8331 117.2518 56.3284 41.1510 177.3740 21 K 4.4101 8.0400 118.6733 56.0389 32.3590 177.3114 22 W 4.5339 8.2678 128.5203 61.3455 30.3689 177.9808 23 L 3.4852 7.8013 117.2676 56.8544 40.7997 178.9516 24 D 4.4249 7.8907 119.1268 57.3879 40.7129 178.2720 25 D 4.4019 8.0238 119.1796 57.0197 40.7656 178.5097 26 A 4.4968 7.8669 121.1283 54.1275 18.0081 178.7095 27 G 3.9008 7.4510 104.5911 45.0773 0.0000 173.5797 28 K 4.7184 7.7086 118.8327 55.2089 36.7436 177.8086 29 D 4.1283 8.1826 121.3016 56.3330 39.8005 175.1732 30 S 4.4255 8.9344 123.8627 59.2209 62.8244 173.5964 31 G 3.8263 8.2362 107.1041 44.1999 0.0000 172.7076 32 A 4.7048 8.5718 120.3599 50.2729 20.1803 175.8988 33 P 4.8216 0.0000 0.0000 62.3623 33.0304 176.0282 34 I 4.0223 8.2990 121.5122 60.5217 38.2144 174.3234 35 P 4.4515 0.0000 0.0000 62.3429 31.5700 176.7276 36 D 4.8224 8.9203 124.6541 56.3612 38.6814 179.6990 37 R 3.8748 7.7724 118.5787 58.9363 30.1432 179.0154 38 I 3.6861 7.4672 118.8626 64.2086 37.1979 178.0315 39 A 4.0512 7.8996 121.6567 55.4163 17.9354 179.4410 40 D 4.3146 7.9463 116.4299 57.4434 40.9181 178.8681 41 K 4.1407 7.5188 116.9666 58.6584 32.3956 178.5323 42 L 4.5766 7.7832 117.6837 54.1800 42.4522 176.7318 43 R 4.2574 7.5257 119.5098 57.9272 30.3217 176.4982 44 D 4.6327 9.0617 123.1864 54.5064 40.0030 174.5136 45 K 4.1086 7.7988 119.5951 56.0470 33.4010 175.5213 46 E 4.7006 8.1959 124.3780 54.9968 31.0051 175.0469 47 F 4.8585 8.6697 125.3282 55.4486 41.6807 176.6754 48 K 4.0264 9.1159 124.2620 59.1729 32.7962 176.9131 49 S 4.9648 7.7444 113.0808 56.9743 66.6301 175.1512 50 F 4.1890 9.3830 124.8436 61.4570 39.0103 176.6799 51 D 4.3652 8.3488 117.3355 57.4345 41.0959 177.8758 52 D 4.4328 8.2779 119.4297 57.2135 40.8384 178.3223 53 F 3.0691 8.0399 120.7915 60.9676 39.2591 176.9577 54 R 3.4303 7.7410 118.4361 59.2853 29.8172 178.1381 55 K 4.2450 8.2364 120.3301 58.9250 32.1370 178.5062 56 A 3.9240 7.6068 120.6662 54.9825 18.2078 179.5216 57 V 3.0637 7.0102 116.7129 66.0555 31.3758 178.4236 58 W 4.4545 7.5462 117.8899 59.7119 28.6394 178.4954 59 E 4.1449 8.2229 118.0168 59.4958 29.0940 178.9446 60 E 4.0822 8.2927 118.6914 59.2698 29.5213 179.4114 61 V 3.6402 8.1495 118.9732 66.0963 31.3740 178.2335 62 S 4.2585 8.2646 113.0512 60.9422 62.8578 175.7339 63 K 4.4253 7.6113 119.0910 55.3767 32.4777 175.7106 64 D 4.7387 7.5963 121.1709 51.8199 42.2399 174.8188 65 P 4.2391 0.0000 0.0000 66.4077 30.9960 178.3437 66 E 4.0491 8.2262 117.1176 58.2618 29.3289 178.6044 67 L 4.4021 7.9278 118.6526 56.9456 42.2094 178.8826 68 S 4.4777 8.8581 114.7849 60.8126 62.9946 176.3238 69 K 3.8884 7.8558 121.7959 59.6116 31.8760 176.9936 70 N 4.8915 7.6523 116.4090 52.7940 38.6354 174.0832 71 L 4.7888 7.9678 118.4644 52.6214 44.5323 176.8686 72 N 4.7554 8.3835 119.8912 51.5144 39.9921 174.3375 73 P 4.2312 0.0000 0.0000 65.9892 31.1322 179.1628 74 S 4.1282 7.9772 113.2782 61.7786 62.8596 176.3721 75 N 4.4749 8.1613 118.6512 56.0269 38.3059 177.4011 76 K 3.9755 8.3611 120.3085 59.7018 31.9500 179.3565 77 S 4.1235 7.8390 114.0930 61.5553 63.1395 176.5736 78 S 4.2495 7.8838 115.7598 61.7045 62.2885 176.7935 79 V 4.1769 7.9054 116.1651 63.8101 30.9965 178.7536 80 S 4.1754 7.9175 114.5124 61.0747 62.6918 175.7891 81 K 4.1590 7.5646 118.3273 55.9064 31.7197 177.7355 82 G 4.0396 8.1166 108.2932 45.9831 0.0000 173.3637 83 Y 4.5958 7.4523 117.1341 57.1910 38.7929 175.2756 84 S 2.8788 8.1359 119.2478 57.1942 63.8378 172.6182 85 P 4.4930 0.0000 0.0000 62.4856 32.5678 175.5683 86 F 4.5870 9.2402 121.4155 57.7821 39.4978 175.6031 87 T 4.1345 8.0570 113.4490 59.7861 70.3604 172.7348 88 P 4.3152 0.0000 0.0000 62.5315 32.1940 177.4652 89 K 3.8220 8.8734 122.7538 59.7244 32.0486 178.2085 90 N 4.5423 8.0822 113.3339 54.5037 37.6797 175.1608 91 Q 4.4046 8.1360 117.7973 55.8229 29.5003 175.3382 92 Q 4.5707 7.6004 117.6182 54.9981 29.9867 176.0967 93 V 4.1953 8.0638 119.7271 61.5894 33.7642 176.6677 94 G 3.7577 8.3328 119.7774 46.7819 0.0000 174.9511 95 G 3.6046 8.9024 114.1095 46.4910 0.0000 173.3053 96 R 4.2972 7.8814 120.4753 55.0660 29.5218 176.6454 97 K 4.5857 8.3059 120.6915 55.6034 34.0531 176.2334 98 V 4.5807 7.0704 111.0029 58.8201 35.2257 175.0306 99 Y 4.2417 8.0053 120.3602 58.7665 38.3752 175.9100 100 E 4.9298 9.5036 122.9855 54.5890 32.9432 174.9309 101 L 5.0585 8.7486 123.2158 54.1537 43.2165 175.4373 102 H 4.9899 9.3182 123.7703 54.6144 32.9677 172.1628 103 H 4.8762 8.5738 122.3188 54.8720 28.9910 174.4434 104 D 4.3170 8.9745 124.8606 57.0185 41.7198 176.5398 105 K 4.2641 8.8663 122.6022 54.2146 32.5476 174.2001 106 P 4.5069 0.0000 0.0000 62.7397 32.1469 177.6327 107 I 3.8538 8.5225 122.1367 63.9061 37.2027 178.6750 108 S 4.0972 8.0237 113.3611 60.6673 62.7323 174.8129 109 Q 4.4114 8.0639 118.3069 55.5993 28.6617 176.2245 110 G 3.9218 8.4141 106.7044 44.9417 0.0000 174.8204 111 G 4.0198 8.0393 108.8085 44.7213 0.0000 173.0492 112 E 4.2401 8.3393 120.4753 55.5139 30.4488 177.5585 113 V 3.2805 8.3969 123.3083 65.5497 31.7586 176.3519 114 Y 4.2570 7.7345 114.3820 57.3996 38.5368 174.3581 115 D 4.8872 7.7350 120.6771 52.9834 41.1731 176.8936 116 M 4.1435 9.2293 128.3943 58.2396 32.1401 178.4913 117 D 4.4945 8.4794 117.5958 56.1649 41.2075 176.2245 118 N 4.8640 8.4412 117.7511 53.1935 39.9963 173.6917 119 I 4.9930 7.4779 117.4428 59.9274 39.8294 175.2454 120 R 4.9653 9.1036 124.1272 54.4625 34.6940 174.2863 121 V 4.7974 9.0490 122.5641 62.0439 33.1971 174.9460 122 T 5.3682 9.0835 117.9210 59.9621 72.4013 173.5129 123 T 4.2573 8.5178 113.2556 60.7310 70.3939 173.8101 124 P 4.2106 0.0000 0.0000 65.7853 31.1958 178.7073 125 K 3.8286 7.9705 118.0583 59.5744 32.1094 178.7593 126 R 3.8670 7.7093 118.7394 59.7079 29.9043 177.7949 127 H 4.1745 8.5687 118.4367 59.4321 29.5736 177.2860 128 I 3.7077 7.5636 120.5461 64.4465 37.2684 177.8328 129 D 4.4860 7.8556 119.8698 57.3741 40.5356 178.6688 130 I 3.6526 7.8298 120.3256 64.8167 36.9729 177.5953 131 H 4.6035 7.7290 113.7256 56.8887 28.9064 176.7001 132 R 4.3628 7.5541 118.8171 55.7063 30.2456 176.5018 133 G 4.0556 7.7661 113.7727 45.8059 0.0000 173.5837 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 2 E 8.43 4.36 0.00 1.95 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 2.19 2.31 0.00 3 S 7.48 4.47 0.00 4.05 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 4 K 8.60 3.98 0.00 1.77 1.78 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.42 7.81 5 R 7.93 4.03 0.00 1.99 1.95 0.00 3.01 0.00 0.00 3.34 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 6 N 7.99 4.78 0.00 2.94 2.95 0.00 0.00 6.83 7.66 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 7 K 7.56 4.47 0.00 1.75 1.79 0.00 1.86 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.45 7.81 8 P 0.00 4.78 0.00 1.99 2.04 0.00 3.83 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 2.06 2.15 0.00 9 G 8.42 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 0.00 0.00 0.00 10 K 8.34 5.14 0.00 1.61 1.71 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.67 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.35 7.81 11 A 8.87 4.68 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.94 4.86 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 1.24 0.00 0.00 13 G 9.06 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 0.00 0.00 0.00 14 K 9.28 4.06 0.00 1.82 1.80 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.37 7.81 15 G 8.46 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 16 K 8.03 4.67 0.00 1.76 1.64 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.56 7.81 17 P 0.00 4.84 0.00 2.02 1.96 0.00 3.66 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 18 V 8.07 4.55 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 0.64 0.00 0.00 0.46 0.00 0.00 19 G 8.03 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 0.00 0.00 0.00 0.00 20 D 8.83 4.70 0.00 2.72 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 21 K 8.04 4.41 0.00 1.83 1.82 0.00 1.79 0.00 0.00 1.93 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.45 7.81 22 W 8.27 4.53 0.00 3.53 3.26 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 23 L 7.80 3.49 0.00 1.49 1.19 0.51 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.89 4.42 0.00 2.93 2.74 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 25 D 8.02 4.40 0.00 2.91 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 26 A 7.87 4.50 1.42 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 0.00 0.00 27 G 7.45 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 0.00 0.00 0.00 28 K 7.71 4.72 0.00 1.81 1.67 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.38 7.81 29 D 8.18 4.13 0.00 2.81 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 0.00 0.00 0.00 30 S 8.93 4.43 0.00 3.89 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 31 G 8.24 3.83 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 0.00 32 A 8.57 4.70 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 33 P 0.00 4.82 0.00 2.14 2.14 0.00 3.99 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 34 I 8.30 4.02 1.91 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 1.60 1.12 0.90 0.00 0.00 35 P 0.00 4.45 0.00 1.76 1.46 0.00 3.30 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.57 0.00 36 D 8.92 4.82 0.00 2.84 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 37 R 7.77 3.87 0.00 1.72 1.93 0.00 3.00 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 1.63 1.59 0.00 38 I 7.47 3.69 1.82 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.04 0.73 0.00 0.00 39 A 7.90 4.05 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 40 D 7.95 4.31 0.00 2.82 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.52 4.14 0.00 1.85 1.85 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.57 7.81 42 L 7.78 4.58 0.00 1.85 1.98 0.57 0.81 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 43 R 7.53 4.26 0.00 2.04 1.88 0.00 3.37 0.00 0.00 3.48 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 44 D 9.06 4.63 0.00 2.86 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 45 K 7.80 4.11 0.00 1.68 1.14 0.00 1.69 0.00 0.00 1.44 0.00 0.00 2.80 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.52 7.81 46 E 8.20 4.70 0.00 1.82 1.65 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 2.10 2.32 0.00 47 F 8.67 4.86 0.00 2.80 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 48 K 9.12 4.03 0.00 1.77 2.11 0.00 1.85 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.49 7.81 49 S 7.74 4.96 0.00 4.20 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 9.38 4.19 0.00 3.02 3.15 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 0.00 0.00 0.00 51 D 8.35 4.37 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 52 D 8.28 4.43 0.00 3.22 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 53 F 8.04 3.07 0.00 2.71 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 54 R 7.74 3.43 0.00 1.65 2.01 0.00 3.35 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.82 0.00 55 K 8.24 4.25 0.00 1.95 2.00 0.00 1.82 0.00 0.00 1.82 0.00 0.00 3.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.43 7.81 56 A 7.61 3.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.01 3.06 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 0.26 0.00 0.00 -0.08 0.00 0.00 58 W 7.55 4.45 0.00 3.48 3.29 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 59 E 8.22 4.14 0.00 2.08 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 0.00 2.37 2.50 0.00 60 E 8.29 4.08 0.00 2.00 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 2.46 2.38 0.00 61 V 8.15 3.64 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 1.38 0.00 0.00 1.08 0.00 0.00 62 S 8.26 4.26 0.00 4.10 4.26 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 63 K 7.61 4.43 0.00 1.71 1.88 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.64 7.81 64 D 7.60 4.74 0.00 2.78 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.24 0.00 2.29 2.30 0.00 3.72 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 66 E 8.23 4.05 0.00 1.93 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 0.00 2.32 2.45 0.00 67 L 7.93 4.40 0.00 1.67 1.74 0.51 0.35 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 68 S 8.86 4.48 0.00 4.06 4.44 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 69 K 7.86 3.89 0.00 1.98 2.17 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.73 1.54 7.81 70 N 7.65 4.89 0.00 2.97 2.91 0.00 0.00 6.68 6.62 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 71 L 7.97 4.79 0.00 1.76 1.59 1.02 1.23 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 72 N 8.38 4.76 0.00 2.96 2.98 0.00 0.00 6.15 7.76 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 73 P 0.00 4.23 0.00 2.18 2.16 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 74 S 7.98 4.13 0.00 3.85 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 75 N 8.16 4.47 0.00 2.79 2.92 0.00 0.00 7.10 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 76 K 8.36 3.98 0.00 2.02 1.89 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.50 1.69 7.81 77 S 7.84 4.12 0.00 4.03 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 78 S 7.88 4.25 0.00 4.02 4.16 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 0.00 0.00 0.00 0.00 79 V 7.91 4.18 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 1.15 0.00 0.00 1.12 0.00 0.00 80 S 7.92 4.18 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 81 K 7.56 4.16 0.00 0.86 1.02 0.00 1.32 0.00 0.00 1.42 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.21 1.26 7.81 82 G 8.12 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 83 Y 7.45 4.60 0.00 2.96 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 84 S 8.14 2.88 0.00 3.49 3.39 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 85 P 0.00 4.49 0.00 2.07 2.00 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.29 0.00 86 F 9.24 4.59 0.00 2.90 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 87 T 8.06 4.13 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 0.09 0.00 0.00 88 P 0.00 4.32 0.00 2.18 2.03 0.00 3.56 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 89 K 8.87 3.82 0.00 1.76 1.81 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.43 7.81 90 N 8.08 4.54 0.00 2.84 2.91 0.00 0.00 5.93 7.39 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 91 Q 8.14 4.40 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 92 Q 7.60 4.57 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 93 V 8.06 4.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.91 0.00 0.00 94 G 8.33 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 0.00 0.00 0.00 95 G 8.90 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 7.88 4.30 0.00 2.05 2.00 0.00 3.05 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 97 K 8.31 4.59 0.00 1.83 1.97 0.00 1.65 0.00 0.00 1.95 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.62 1.39 7.81 98 V 7.07 4.58 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.70 0.00 0.00 99 Y 8.01 4.24 0.00 2.67 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 0.00 100 E 9.50 4.93 0.00 1.92 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 2.26 2.46 0.00 101 L 8.75 5.06 0.00 1.93 1.91 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 102 H 9.32 4.99 0.00 2.90 3.20 0.00 5.77 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 H 8.57 4.88 0.00 2.92 3.28 0.00 5.96 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.97 4.32 0.00 2.62 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 0.00 105 K 8.87 4.26 0.00 1.76 1.78 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.38 7.81 106 P 0.00 4.51 0.00 2.20 1.97 0.00 3.64 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 107 I 8.52 3.85 1.68 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.66 0.76 0.00 0.00 108 S 8.02 4.10 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 0.00 109 Q 8.06 4.41 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.66 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 110 G 8.41 3.92 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 0.00 0.00 0.00 111 G 8.04 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 0.00 0.00 0.00 112 E 8.34 4.24 0.00 1.95 1.89 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 2.29 2.23 0.00 113 V 8.40 3.28 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 -0.13 0.00 0.00 0.69 0.00 0.00 114 Y 7.73 4.26 0.00 3.13 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 D 7.74 4.89 0.00 2.69 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 0.00 116 M 9.23 4.14 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.84 0.00 117 D 8.48 4.49 0.00 2.84 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 N 8.44 4.86 0.00 2.81 2.86 0.00 0.00 6.84 8.07 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 0.00 119 I 7.48 4.99 1.95 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 1.09 0.90 1.12 0.00 0.00 120 R 9.10 4.97 0.00 1.73 1.85 0.00 3.33 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.92 0.00 121 V 9.05 4.80 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 1.09 0.00 0.00 1.03 0.00 0.00 122 T 9.08 5.37 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 123 T 8.52 4.26 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 124 P 0.00 4.21 0.00 2.24 2.11 0.00 3.62 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 2.10 2.30 0.00 125 K 7.97 3.83 0.00 1.89 1.94 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 126 R 7.71 3.87 0.00 1.91 1.90 0.00 3.20 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 127 H 8.57 4.17 0.00 3.32 3.29 0.00 5.66 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 0.00 128 I 7.56 3.71 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.63 0.90 0.00 0.00 129 D 7.86 4.49 0.00 2.82 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 0.00 130 I 7.83 3.65 1.88 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.46 0.74 0.00 0.00 131 H 7.73 4.60 0.00 3.05 3.31 0.00 5.64 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 7.55 4.36 0.00 1.93 1.95 0.00 3.18 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 133 G 7.77 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 0.00 0.00 0.00