NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9325 8.0549 120.3932 62.7805 32.6007 172.0102 2 L 3.6907 7.8164 125.7003 51.4620 42.0349 174.5566 3 S 4.5184 9.0014 119.1082 57.7822 66.3874 175.0188 4 E 4.3021 8.7515 121.2915 59.5410 28.8625 179.6334 5 G 3.7630 7.9883 105.5977 47.9701 0.0000 175.3308 6 E 4.1675 8.0610 119.8099 58.4813 29.8339 178.9509 7 W 4.3993 7.9876 119.0783 59.5975 29.0661 178.2897 8 Q 4.0630 8.3201 119.6635 59.3843 28.0670 178.3574 9 L 4.1010 7.6667 118.5819 57.7172 41.6809 179.7843 10 V 3.8472 7.5627 117.1723 65.8445 31.6974 177.9312 11 L 4.3777 8.1325 117.9504 57.0970 41.0926 178.9123 12 H 4.2427 8.1851 118.4691 59.3461 29.4963 177.4417 13 V 3.6525 7.6716 119.2667 65.5789 31.4729 177.5126 14 W 4.0590 8.2650 127.2672 59.4513 30.3638 178.0657 15 A 4.0436 7.6954 120.3779 54.9626 17.9549 179.3748 16 K 3.9410 7.5567 115.8897 59.5800 32.1026 179.7360 17 V 2.9311 6.8397 117.8909 65.6297 30.9914 177.5093 18 E 3.7364 7.3785 117.5839 59.1156 29.3465 178.3549 19 A 4.1774 7.3721 120.2943 54.0265 19.8162 177.3505 20 D 4.6709 7.9123 116.3123 51.5482 41.8437 175.7533 21 V 3.4625 7.8282 123.6327 64.5089 31.7242 178.3283 22 A 4.0826 7.9806 121.1258 54.5144 18.2359 179.8129 23 G 3.4508 7.9569 104.1087 48.4548 0.0000 175.8017 24 H 4.1413 7.9683 119.5957 58.2539 28.6189 178.1948 25 G 3.5867 8.0450 107.5713 47.5217 0.0000 175.7530 26 Q 3.8745 7.7619 121.9612 59.0443 29.0585 177.9746 27 D 4.2939 7.9822 119.9897 57.2613 40.7284 178.8302 28 I 3.7157 7.5518 119.9663 64.1783 37.1324 178.4623 29 L 3.4860 7.5398 119.4630 57.3895 41.4111 179.4926 30 I 3.6336 7.2665 119.4388 64.0617 37.0160 178.4093 31 R 3.9054 7.6617 119.3556 58.9936 29.8387 178.2554 32 L 4.0019 7.4969 120.4475 58.0199 41.9199 178.9048 33 F 4.6430 7.8104 117.3370 60.1695 38.7006 178.1207 34 K 4.1109 7.9021 117.6111 59.5555 32.0294 179.3089 35 S 4.3716 7.7824 114.0400 60.0044 63.8379 174.2214 36 H 4.7637 7.8271 118.0612 51.9491 29.0945 171.7305 37 P 4.5274 0.0000 0.0000 64.5917 31.2645 177.6259 38 E 4.1068 8.2076 116.4108 59.5578 29.6088 179.1407 39 T 3.7177 7.6598 110.7134 64.4955 68.7554 176.1792 40 L 3.5050 7.6888 121.9578 57.7440 41.7649 178.5464 41 E 4.0626 7.7840 118.0168 58.7149 29.6192 178.4781 42 K 4.3641 7.8895 117.1785 57.1604 32.2914 177.1932 43 F 4.6306 7.8384 118.5483 55.6285 39.5392 175.8074 44 D 4.3233 8.4898 124.1158 57.3203 41.0569 177.8571 45 R 3.8257 7.8386 117.2411 58.2120 30.3327 176.3513 46 F 5.1485 7.6821 114.1309 56.8411 40.7900 176.6798 47 K 3.8407 7.9460 121.1130 59.8609 32.0629 177.5222 48 H 4.1468 8.5502 112.2208 58.5142 28.1172 174.9984 49 L 3.9104 7.2772 119.8213 54.9119 41.0354 176.9686 50 K 4.1289 8.7943 124.3083 58.7343 32.7147 178.7469 51 T 4.4100 7.5732 108.4723 60.3321 71.8548 175.1936 52 E 3.8530 8.5241 121.2020 59.3427 29.5515 178.3240 53 A 3.9824 8.0473 120.3138 55.5692 18.1472 179.3517 54 E 3.9286 7.6923 115.5388 59.7279 29.2554 179.1781 55 M 4.1595 7.8632 118.5988 58.3807 31.7949 178.9704 56 K 3.9678 7.7738 117.1097 59.2502 32.2984 178.8372 57 A 4.3459 7.5432 119.5175 52.7846 18.6498 177.3385 58 S 4.2735 7.4097 112.4299 57.7826 62.6708 174.6261 59 E 3.9958 8.8962 128.7458 59.4416 29.2683 178.6376 60 D 4.4376 8.1660 117.7212 57.3402 41.3767 177.9359 61 L 3.4334 7.7404 120.9148 57.8838 41.8852 178.9189 62 K 3.9392 7.7290 119.7216 59.0840 32.0058 178.8333 63 K 3.9943 8.0651 120.3322 59.6538 32.1449 178.3997 64 H 4.4543 8.5198 118.8487 59.1692 29.8430 177.2368 65 G 3.7011 8.2025 107.6538 47.9933 0.0000 175.7945 66 V 3.6280 7.5401 120.4023 65.9185 31.6950 178.0662 67 T 3.8669 7.6170 115.2295 66.7748 68.4708 176.4444 68 V 3.6366 7.6195 119.7155 66.2806 31.7318 178.0238 69 L 4.3906 7.8666 117.4559 57.4976 41.1718 179.4816 70 T 4.0878 8.0245 116.0362 66.3220 68.2026 176.6309 71 A 4.0853 8.0098 122.3868 54.6965 18.5960 179.2805 72 L 3.9706 8.0337 118.7387 57.6379 41.9955 179.2352 73 G 3.3421 8.0648 105.4501 47.2490 0.0000 175.7169 74 A 4.0139 7.4797 122.0594 55.0667 18.6644 179.4835 75 I 3.7799 7.3193 117.2618 64.3731 37.1420 178.3423 76 L 3.9752 7.6669 119.5949 58.0928 41.2387 179.9962 77 K 3.8943 7.4133 117.4481 58.8171 32.1639 179.0721 78 K 3.9185 7.9253 118.1527 56.4754 32.7184 176.6003 79 K 2.0000 7.8070 118.3729 56.3865 29.6930 174.4700 80 G 4.0651 7.8646 105.6104 45.8959 0.0000 173.2697 81 H 4.6285 7.1282 118.5284 55.4236 27.7705 175.0395 82 H 5.7755 7.6306 111.0332 54.6244 29.7608 176.6489 83 E 3.9865 8.4630 121.1771 60.2507 28.9423 178.6362 84 A 4.0390 8.0401 120.4184 54.4960 17.8298 178.6174 85 E 4.2299 8.1018 115.2261 58.7497 30.2334 178.5046 86 L 4.2733 8.0056 121.4433 57.5088 42.1210 178.5279 87 K 3.8791 7.9574 119.5822 59.2183 32.2763 177.0140 88 P 4.2959 0.0000 0.0000 65.6937 31.2887 178.0456 89 L 4.0733 7.5709 120.4370 57.8098 41.9162 178.7446 90 A 4.1254 8.3636 121.2252 55.1908 18.2962 179.4580 91 Q 3.7874 8.0921 118.4093 59.1711 29.1730 178.3880 92 S 4.1252 8.0183 114.7877 61.3824 63.2359 176.0555 93 H 4.2897 8.3163 118.9001 57.8434 28.2232 177.6018 94 A 3.1605 7.2119 122.2665 54.6957 18.4942 179.1396 95 T 3.7117 6.8335 105.3125 62.3703 69.4183 175.6384 96 K 4.2176 7.4555 118.8892 58.2841 33.5843 177.1642 97 H 4.3086 7.7986 113.9904 56.1772 29.5588 175.5225 98 K 3.7040 7.7366 116.4221 57.2979 28.3313 176.2195 99 I 4.2892 8.0842 119.0729 58.4815 38.5539 174.8163 100 P 4.3572 0.0000 0.0000 62.8109 31.6199 177.4966 101 I 3.4277 8.2102 120.4195 64.3916 36.7633 178.5516 102 K 3.6634 7.7835 119.9521 59.5586 32.0331 178.2352 103 Y 4.2970 7.6971 116.6012 60.7546 37.8027 177.9818 104 L 4.1981 7.7523 119.7186 57.4668 41.7750 178.9760 105 E 4.0825 7.9128 119.1198 59.0495 29.7999 178.5558 106 F 4.6350 7.8859 118.1989 60.5026 38.8800 177.4902 107 I 3.9128 8.0122 118.0330 64.0653 37.8172 178.0655 108 S 4.2013 8.0465 115.7237 61.5756 62.6016 176.6226 109 E 4.0354 8.3366 120.7694 59.1925 29.2698 178.9270 110 A 3.9744 7.8758 120.5145 55.4038 18.4936 179.3749 111 I 3.6488 7.9279 118.1767 64.9282 37.1297 178.6115 112 I 3.8025 7.6581 119.7414 64.7009 36.9778 177.9755 113 H 4.1717 8.2652 119.0636 59.2796 29.6732 177.5574 114 V 3.5054 7.7655 119.9897 65.9487 31.2241 177.9905 115 L 3.8981 7.6606 116.9922 56.9483 41.0180 178.3492 116 H 4.6110 7.7329 118.5201 58.6811 29.8874 177.0915 117 S 4.0615 7.7082 115.7569 60.8253 63.0059 175.1762 118 R 3.9185 7.1380 119.9467 56.4198 31.1964 175.3226 119 H 4.0719 8.3308 116.5821 56.1691 26.4062 174.5233 120 P 4.3803 0.0000 0.0000 65.4047 31.6292 178.6859 121 G 3.7416 7.9914 106.6065 47.3007 0.0000 174.1015 122 D 4.6055 8.1568 118.0906 55.4284 41.7141 176.6360 123 F 4.7802 7.6757 121.9677 56.4215 38.4325 174.8722 124 G 3.8651 7.6466 111.9909 43.4939 0.0000 170.8744 125 A 3.9383 8.4556 121.1851 55.2397 17.8152 179.5222 126 D 4.2395 7.9807 116.8466 56.3759 39.4906 178.4422 127 A 3.9672 7.6097 121.6133 54.5815 18.7213 179.1523 128 Q 3.3989 7.3634 118.0984 58.7871 28.9213 178.7708 129 G 3.4392 7.9412 106.7016 47.7751 0.0000 175.7214 130 A 3.9221 7.5810 123.2463 54.6667 18.1812 179.4954 131 M 4.0027 8.0764 117.0059 58.6396 32.3765 177.7879 132 N 4.2961 8.1021 117.2466 56.9651 39.0588 177.0617 133 K 3.9639 7.8296 118.9706 59.1870 31.8801 179.2688 134 A 3.8651 7.5619 121.4392 54.8357 18.2411 179.6322 135 L 4.0383 7.7374 117.6774 57.8274 41.8596 179.4315 136 E 4.0688 8.2559 118.6807 59.1222 29.3236 179.0846 137 L 4.0539 7.8480 120.4980 57.8965 42.2176 178.7689 138 F 4.2145 8.1473 121.0209 61.2121 39.4343 177.2103 139 R 3.6817 8.1149 118.4991 58.8458 29.8916 178.4525 140 K 3.9094 7.9733 119.5647 59.5385 31.7770 178.6942 141 D 4.4057 7.9218 118.7524 57.1602 40.6563 178.8974 142 I 3.6433 7.4844 120.2247 64.2009 37.0614 178.3052 143 A 3.7565 7.6772 120.8751 54.7205 17.6017 179.6201 144 A 3.9339 7.8840 119.4593 55.4311 18.0279 180.1010 145 K 4.0594 7.7325 115.8462 59.4893 32.1378 179.3689 146 Y 4.0820 8.2547 117.3612 60.9962 37.9313 178.2595 147 K 3.9445 8.1840 120.5716 59.6903 32.0277 178.2693 148 E 3.9838 7.7726 117.6979 59.0635 29.6593 178.1199 149 L 4.3746 7.5525 115.6260 54.4515 42.7023 176.3198 150 G 3.6366 8.3902 105.8603 46.6050 0.0000 173.9312 151 Y 4.7030 8.0143 110.4361 57.5248 40.9597 176.4131 152 Q 4.3120 8.7142 123.2737 58.8475 29.0979 177.1710 153 G 3.7598 7.8200 109.1939 45.7364 0.0000 171.8835 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 V 8.05 3.93 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 1.13 0.00 0.00 0.96 0.00 0.00 2 L 7.82 3.69 0.00 1.08 0.99 0.47 -0.42 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 3 S 9.00 4.52 0.00 4.06 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 4 E 8.75 4.30 0.00 2.15 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 0.00 2.46 2.50 0.00 5 G 7.99 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 6 E 8.06 4.17 0.00 1.76 1.84 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 2.31 2.30 0.00 7 W 7.99 4.40 0.00 3.51 3.13 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 0.00 0.00 0.00 8 Q 8.32 4.06 0.00 2.31 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 9 L 7.67 4.10 0.00 2.05 1.74 0.93 0.88 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 10 V 7.56 3.85 2.16 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 1.29 0.00 0.00 1.02 0.00 0.00 11 L 8.13 4.38 0.00 1.90 1.79 0.95 0.94 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 12 H 8.19 4.24 0.00 3.37 3.44 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.67 3.65 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 1.16 0.00 0.00 1.23 0.00 0.00 14 W 8.26 4.06 0.00 3.73 3.11 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 0.00 0.00 0.00 0.00 15 A 7.70 4.04 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 16 K 7.56 3.94 0.00 1.75 1.50 0.00 1.55 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.37 7.81 17 V 6.84 2.93 1.16 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 -0.05 0.00 0.00 0.36 0.00 0.00 18 E 7.38 3.74 0.00 2.14 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 2.32 2.35 0.00 19 A 7.37 4.18 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 20 D 7.91 4.67 0.00 2.64 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 21 V 7.83 3.46 1.99 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 0.84 0.00 0.00 0.92 0.00 0.00 22 A 7.98 4.08 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 23 G 7.96 3.45 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 0.00 24 H 7.97 4.14 0.00 3.28 3.23 0.00 5.81 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 25 G 8.04 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.76 3.87 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 27 D 7.98 4.29 0.00 2.72 2.60 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 28 I 7.55 3.72 1.88 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 1.51 1.02 0.89 0.00 0.00 29 L 7.54 3.49 0.00 1.22 0.69 0.77 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.27 3.63 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.55 0.87 0.00 0.00 31 R 7.66 3.91 0.00 1.84 2.10 0.00 3.16 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 32 L 7.50 4.00 0.00 1.76 1.50 1.16 1.15 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 33 F 7.81 4.64 0.00 3.00 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 34 K 7.90 4.11 0.00 1.72 1.84 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.66 7.81 35 S 7.78 4.37 0.00 3.59 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.83 4.76 0.00 3.19 2.99 0.00 5.63 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.53 0.00 2.16 2.11 0.00 3.86 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 2.10 2.00 0.00 38 E 8.21 4.11 0.00 2.27 2.28 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 2.20 2.50 0.00 39 T 7.66 3.72 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 0.63 0.00 0.00 40 L 7.69 3.50 0.00 1.37 1.79 0.29 0.74 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 41 E 7.78 4.06 0.00 2.03 2.10 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 2.36 2.42 0.00 42 K 7.89 4.36 0.00 1.85 1.66 0.00 1.93 0.00 0.00 1.73 0.00 0.00 3.15 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.67 1.94 7.81 43 F 7.84 4.63 0.00 3.02 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.49 4.32 0.00 2.68 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 45 R 7.84 3.83 0.00 1.59 1.70 0.00 3.04 0.00 0.00 2.95 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.84 0.00 46 F 7.68 5.15 0.00 2.85 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 47 K 7.95 3.84 0.00 1.78 1.93 0.00 1.74 0.00 0.00 1.94 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.66 7.81 48 H 8.55 4.15 0.00 3.27 3.46 0.00 5.53 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.28 3.91 0.00 1.75 1.63 0.79 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.79 4.13 0.00 1.75 1.84 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.51 7.81 51 T 7.57 4.41 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 1.21 0.00 0.00 52 E 8.52 3.85 0.00 2.04 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 2.35 2.35 0.00 53 A 8.05 3.98 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 54 E 7.69 3.93 0.00 2.06 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 2.35 0.00 55 M 7.86 4.16 0.00 1.99 2.27 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.63 0.00 56 K 7.77 3.97 0.00 1.85 1.84 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.60 7.81 57 A 7.54 4.35 1.33 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 0.00 0.00 0.00 58 S 7.41 4.27 0.00 3.92 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 59 E 8.90 4.00 0.00 2.04 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 2.41 2.32 0.00 60 D 8.17 4.44 0.00 2.86 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 61 L 7.74 3.43 0.00 1.33 1.58 0.55 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.73 3.94 0.00 1.78 1.96 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.42 7.81 63 K 8.07 3.99 0.00 2.22 1.95 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.48 7.81 64 H 8.52 4.45 0.00 3.66 3.58 0.00 5.85 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 65 G 8.20 3.70 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 0.00 0.00 0.00 66 V 7.54 3.63 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 1.13 0.00 0.00 0.99 0.00 0.00 67 T 7.62 3.87 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 1.30 0.00 0.00 68 V 7.62 3.64 2.10 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 1.19 0.00 0.00 0.95 0.00 0.00 69 L 7.87 4.39 0.00 1.81 1.95 0.90 1.21 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 70 T 8.02 4.09 4.48 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 1.26 0.00 0.00 71 A 8.01 4.09 1.43 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 0.00 0.00 0.00 72 L 8.03 3.97 0.00 1.74 1.58 0.04 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.06 3.34 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 74 A 7.48 4.01 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 75 I 7.32 3.78 1.86 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.00 0.92 0.00 0.00 76 L 7.67 3.98 0.00 1.29 1.56 -0.30 0.80 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 77 K 7.41 3.89 0.00 1.68 1.79 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.42 7.81 78 K 7.93 3.92 0.00 1.86 1.85 0.00 1.79 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.63 1.79 7.81 79 K 7.81 2.00 0.00 1.19 0.74 0.00 1.45 0.00 0.00 1.38 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.30 0.57 7.81 80 G 7.86 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 0.00 0.00 0.00 81 H 7.13 4.63 0.00 3.13 3.22 0.00 5.62 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 82 H 7.63 5.78 0.00 3.31 3.47 0.00 5.65 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 83 E 8.46 3.99 0.00 2.21 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 2.38 2.35 0.00 84 A 8.04 4.04 1.33 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 0.00 0.00 0.00 85 E 8.10 4.23 0.00 2.21 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 0.00 2.48 2.31 0.00 86 L 8.01 4.27 0.00 2.02 1.73 0.85 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.96 3.88 0.00 2.02 1.81 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.47 7.81 88 P 0.00 4.30 0.00 2.33 2.31 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.04 0.00 89 L 7.57 4.07 0.00 2.13 1.91 1.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.36 4.13 1.43 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 0.00 0.00 0.00 91 Q 8.09 3.79 0.00 2.11 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 92 S 8.02 4.13 0.00 4.08 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 93 H 8.32 4.29 0.00 3.54 3.57 0.00 5.80 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 94 A 7.21 3.16 0.04 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 95 T 6.83 3.71 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 0.79 0.00 0.00 96 K 7.46 4.22 0.00 1.60 1.63 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.23 1.27 7.81 97 H 7.80 4.31 0.00 3.03 3.18 0.00 5.79 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.74 3.70 0.00 1.89 1.86 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.40 7.81 99 I 8.08 4.29 2.04 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 1.57 1.01 1.14 0.00 0.00 100 P 0.00 4.36 0.00 1.81 1.96 0.00 3.12 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 0.49 1.37 0.00 101 I 8.21 3.43 1.70 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.19 0.72 0.00 0.00 102 K 7.78 3.66 0.00 1.66 1.54 0.00 1.47 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 0.66 7.81 103 Y 7.70 4.30 0.00 3.16 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 0.00 104 L 7.75 4.20 0.00 1.77 1.77 0.65 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.91 4.08 0.00 1.97 1.99 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 2.47 2.43 0.00 106 F 7.89 4.63 0.00 3.22 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 0.00 107 I 8.01 3.91 2.15 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 1.59 1.65 1.11 0.00 0.00 108 S 8.05 4.20 0.00 4.19 3.98 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 0.00 109 E 8.34 4.04 0.00 2.33 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 2.63 2.58 0.00 110 A 7.88 3.97 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 0.00 111 I 7.93 3.65 2.08 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 1.62 1.02 1.05 0.00 0.00 112 I 7.66 3.80 2.13 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 1.66 1.55 1.18 0.00 0.00 113 H 8.27 4.17 0.00 3.28 3.47 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.77 3.51 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 0.97 0.00 0.00 0.92 0.00 0.00 115 L 7.66 3.90 0.00 1.06 0.55 0.83 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.73 4.61 0.00 3.46 3.44 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.71 4.06 0.00 3.86 3.82 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 0.00 0.00 0.00 0.00 118 R 7.14 3.92 0.00 1.88 1.65 0.00 3.25 0.00 0.00 2.93 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.40 0.00 119 H 8.33 4.07 0.00 3.43 3.25 0.00 5.68 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.38 0.00 2.14 2.11 0.00 3.33 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 1.88 0.00 121 G 7.99 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 0.00 122 D 8.16 4.61 0.00 2.77 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 0.00 123 F 7.68 4.78 0.00 3.01 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 0.00 124 G 7.65 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 0.00 0.00 0.00 125 A 8.46 3.94 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 0.00 126 D 7.98 4.24 0.00 2.85 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 0.00 127 A 7.61 3.97 1.21 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 0.00 0.00 128 Q 7.36 3.40 0.00 1.53 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 129 G 7.94 3.44 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 0.00 130 A 7.58 3.92 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 0.00 131 M 8.08 4.00 0.00 2.37 2.39 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.97 0.00 132 N 8.10 4.30 0.00 3.06 2.96 0.00 0.00 7.26 6.23 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 0.00 133 K 7.83 3.96 0.00 1.76 1.70 0.00 1.57 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.59 7.81 134 A 7.56 3.87 1.23 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 0.00 0.00 135 L 7.74 4.04 0.00 1.83 1.79 1.05 0.87 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 0.00 136 E 8.26 4.07 0.00 2.03 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 2.34 2.59 0.00 137 L 7.85 4.05 0.00 1.85 1.92 0.97 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.15 4.21 0.00 2.97 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 0.00 139 R 8.11 3.68 0.00 2.08 2.07 0.00 3.07 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.00 140 K 7.97 3.91 0.00 1.96 1.98 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.46 7.81 141 D 7.92 4.41 0.00 2.88 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 0.00 142 I 7.48 3.64 1.47 0.00 0.00 -0.38 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 0.24 0.49 0.00 0.00 143 A 7.68 3.76 1.24 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 0.00 0.00 0.00 144 A 7.88 3.93 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 0.00 145 K 7.73 4.06 0.00 2.05 1.92 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.69 1.64 7.81 146 Y 8.25 4.08 0.00 3.09 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 0.00 147 K 8.18 3.94 0.00 1.88 2.12 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 148 E 7.77 3.98 0.00 2.05 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 0.00 2.35 2.37 0.00 149 L 7.55 4.37 0.00 2.04 1.97 0.83 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.39 3.64 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 0.00 0.00 0.00 151 Y 8.01 4.70 0.00 2.66 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 0.00 152 Q 8.71 4.31 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.54 2.39 0.00 153 G 7.82 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