NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3172 8.2649 123.5848 51.3214 19.5924 176.0375 2 P 4.1254 0.0000 0.0000 63.4506 31.6118 170.9141 3 V 4.4243 8.2659 118.3927 59.9368 34.5481 174.8819 4 R 4.6533 8.4022 121.5110 55.6053 31.7891 175.5216 5 S 5.5994 8.6508 117.7314 57.1109 67.5702 173.1315 6 L 4.9327 8.8465 120.6408 54.4923 43.9951 175.0605 7 N 5.4024 8.8654 118.7715 53.2884 40.5377 173.6673 8 C 5.1056 8.7734 115.8641 57.9525 33.6049 172.4537 9 T 5.1346 8.7824 109.3627 59.9250 71.8101 172.8286 10 L 5.3989 8.6112 121.0767 53.2529 45.5109 176.2693 11 R 5.1443 9.0112 120.2963 54.5480 34.7535 175.0097 12 D 4.4873 8.6056 123.2998 52.2137 40.8728 177.3250 13 S 4.0499 8.0940 113.0807 60.5841 62.8459 175.0250 14 Q 4.3572 7.9537 118.8308 55.4158 28.5393 175.2538 15 Q 3.6195 7.9911 115.3494 56.8520 26.9578 173.4610 16 K 4.3508 8.3439 117.6417 55.9562 33.7870 176.8917 17 S 5.0554 9.0058 120.4800 57.4998 65.6636 172.7671 18 L 5.3755 8.3699 120.4093 53.4993 44.1312 176.2560 19 V 4.7896 8.7062 114.9915 59.5840 36.6558 174.5872 20 M 4.1981 8.5346 122.5958 57.3088 32.1543 174.1159 21 S 4.0178 9.9444 120.8115 59.4803 61.5773 176.3130 22 G 4.1321 8.6283 113.1145 44.1969 0.0000 171.8882 23 P 4.1739 0.0000 0.0000 64.9426 31.6425 176.1822 24 Y 4.9387 7.5625 116.1739 57.1491 39.1647 174.4474 25 E 4.8605 8.0898 118.7406 54.7073 33.7055 173.4134 26 L 5.2569 8.6609 124.7782 53.0311 45.0008 175.4543 27 K 5.2332 9.2569 120.9326 54.5956 36.8560 174.8583 28 A 5.4264 8.6101 124.1999 50.3431 21.8049 175.4444 29 L 4.7430 8.5978 120.3944 54.7825 44.5279 174.2407 30 H 4.6593 10.4251 119.4770 55.6930 28.8040 174.9374 31 L 4.8280 8.2640 124.8406 53.4144 44.9628 174.9997 32 Q 4.5278 8.5835 122.1120 56.3699 32.6150 175.7868 33 G 3.9378 8.5837 109.8220 45.8241 0.0000 175.3277 34 Q 4.2614 8.5984 118.1729 58.9755 28.3760 178.4793 35 D 4.4505 8.1275 119.8305 56.8063 40.8024 177.8146 36 M 3.9820 8.0358 119.2888 58.8094 32.0829 177.9024 37 E 4.0308 8.1885 118.1696 59.1053 29.3313 178.9962 38 Q 4.1551 8.1257 117.6942 56.9674 29.1989 176.6928 39 Q 4.3095 7.3447 118.3937 55.8523 29.1738 176.3558 40 V 3.5501 8.3294 121.7343 62.9348 32.4810 175.1671 41 V 4.2189 7.9858 126.9711 61.2417 33.6347 174.5786 42 F 4.9650 9.1392 126.9742 56.3634 41.8444 175.0764 43 S 4.9525 9.1867 116.4745 56.9134 64.3398 172.4255 44 M 4.6747 9.0657 129.2625 54.7209 33.3658 174.8038 45 S 5.2540 8.7032 122.7532 57.0569 65.6493 173.7481 46 F 4.7682 8.9940 123.8435 56.6904 38.7837 175.9446 47 V 4.3952 7.7283 117.5804 59.6816 33.7829 175.9207 48 Q 4.2498 8.7706 120.8386 55.2298 29.2532 176.9031 49 G 4.0289 8.3876 111.0506 44.6187 0.0000 171.4606 50 E 3.9281 8.3433 120.7206 56.3263 29.7144 175.4425 51 E 4.9366 8.4760 125.9623 54.7441 32.7085 174.0065 52 S 4.6492 8.6874 116.2600 56.7808 65.7813 174.9016 53 N 4.3721 8.8467 120.9475 54.9991 37.1562 175.3294 54 D 4.7948 8.1171 115.5389 52.4114 40.7450 174.6669 55 K 4.7649 7.8979 122.0988 54.9636 35.0081 174.6428 56 I 4.9738 8.7181 129.0072 58.5823 40.6732 173.3854 57 P 4.9571 0.0000 0.0000 63.0700 32.5588 175.8175 58 V 4.9589 9.5027 115.8903 59.7805 36.9698 173.7118 59 A 5.3844 8.8078 122.7881 50.2600 22.4760 175.3744 60 L 4.7996 8.8544 120.4048 53.0596 44.5625 175.8920 61 G 3.7982 8.5400 110.4095 43.6763 0.0000 171.2401 62 L 4.4016 8.0174 120.3797 53.1944 43.1196 176.9962 63 K 3.8827 8.6045 125.2021 58.0159 32.3707 176.2655 64 E 3.8552 9.0085 123.5420 56.7971 27.0541 173.9929 65 K 4.5725 7.7187 117.4595 54.5635 36.2835 176.8845 66 N 4.8565 8.4490 121.6900 52.1576 35.9230 174.4570 67 L 5.3515 7.2268 119.0145 53.9700 46.5507 176.8902 68 Y 5.1323 9.0636 120.7684 55.7886 42.0715 175.0442 69 L 4.7965 8.9907 123.1368 55.1497 42.5193 176.5809 70 S 4.9688 9.7764 117.1127 56.8547 66.6071 172.1735 71 C 5.4054 8.6645 122.5044 58.2521 30.0866 173.8575 72 V 4.7002 8.7231 116.2604 59.4506 36.4707 174.5777 73 L 4.4525 8.5007 122.5498 54.0807 41.9917 176.6401 74 K 4.2204 8.5349 125.5076 55.2429 34.1074 175.3134 75 D 4.0053 9.1203 127.3677 55.7468 38.8457 173.7468 76 D 4.4840 8.3651 113.9374 54.4135 38.9761 173.8810 77 K 4.3808 7.3608 119.1410 53.4667 35.8764 173.7499 78 P 3.5606 0.0000 0.0000 63.2655 31.5618 175.7839 79 T 4.7101 8.8324 120.0808 61.6740 73.0078 172.6097 80 L 5.1765 8.6531 126.9974 54.3164 43.6520 175.3542 81 Q 4.7558 9.1051 122.3220 55.2018 32.6410 172.8821 82 L 5.1243 8.5568 120.1609 53.5498 43.1998 175.6406 83 E 4.7567 9.5298 125.1467 54.3818 32.5210 175.0883 84 S 5.0302 8.7270 122.4951 58.5946 63.9195 173.6967 85 V 4.5077 8.1783 115.5990 59.0336 36.2155 174.9686 86 D 4.4284 8.7215 121.7421 53.7833 41.1244 175.3109 87 P 4.5144 0.0000 0.0000 64.9627 31.4188 177.2863 88 K 4.2422 8.7100 118.2810 57.8297 32.4268 177.1290 89 N 4.7076 8.0061 113.4339 53.0428 39.0797 174.2135 90 Y 4.5997 7.6132 115.3097 55.1967 41.5679 173.3445 91 P 4.7636 0.0000 0.0000 62.1103 32.7880 175.1697 92 K 4.6269 7.8315 116.1526 54.8164 35.6303 176.4274 93 K 4.0212 8.7535 119.7325 59.0623 32.1646 176.5839 94 K 4.6872 7.5236 120.4983 55.0031 30.7810 174.7580 95 M 4.4072 7.9053 122.0295 53.8402 33.3960 176.4792 96 E 4.1608 8.9156 121.3362 56.2204 30.6535 177.9654 97 K 3.7605 8.7929 123.1077 59.6023 32.4419 179.1344 98 R 3.6874 7.6817 114.4634 58.5013 29.3603 177.7502 99 F 4.7754 7.5932 115.5213 58.0335 39.6230 175.4746 100 V 4.4251 7.4677 122.5216 61.7966 32.9419 174.7067 101 F 5.2234 9.3405 126.0562 55.7430 43.1883 173.9401 102 N 5.0272 9.6122 121.0190 52.0736 39.8869 174.3526 103 K 4.4276 9.4431 127.5909 55.8237 33.5906 175.4173 104 I 4.9150 8.5312 129.4311 59.6010 39.6933 174.5767 105 E 4.8718 8.6992 127.6710 54.7770 29.9357 175.9387 106 I 4.3831 8.2960 120.3145 60.4578 36.9625 175.6393 107 N 3.9260 8.1797 112.9478 56.6758 39.1529 175.2556 108 N 4.8783 7.7595 111.6033 53.3519 39.7317 173.5468 109 K 4.7998 7.9019 118.7185 55.0099 36.1245 174.3897 110 L 5.2502 9.0911 119.9255 53.2694 45.4223 176.0549 111 E 5.1646 8.6966 119.7004 54.7056 34.2978 175.0056 112 F 5.1816 9.0018 121.2603 55.9508 41.4948 173.5856 113 E 4.8490 9.0610 125.8938 54.5294 31.4245 175.1759 114 S 4.2398 8.9469 122.3650 58.2906 62.3405 174.0497 115 A 4.0139 8.5000 129.8502 55.1178 18.2634 178.7996 116 Q 3.5142 7.9180 115.7042 58.3212 29.4176 175.9105 117 F 4.6844 7.9257 119.8804 54.3273 39.2750 172.4340 118 P 4.4715 0.0000 0.0000 64.3278 31.5990 176.3927 119 N 4.1659 9.5932 118.5472 53.6104 36.7078 173.6049 120 W 4.6363 7.7467 118.1594 55.0784 31.8043 174.6494 121 Y 5.5241 9.2950 121.5266 55.8868 41.6813 175.0502 122 I 4.3986 8.7557 123.5156 61.9118 37.6386 175.7761 123 S 5.1469 9.7036 123.1285 57.0216 67.7442 172.7825 124 T 5.1177 8.4419 110.3240 60.1375 72.2943 173.1203 125 S 4.9841 8.7516 116.7461 57.3152 63.4896 174.1561 126 Q 4.0600 8.7575 122.2073 58.5923 28.8102 177.4193 127 A 4.1890 7.5112 119.2508 51.6920 18.6730 176.6791 128 E 4.1282 8.5705 120.7743 56.9543 30.4358 176.1216 129 N 4.2195 8.2985 120.9111 55.0681 38.2809 173.6673 130 M 4.7623 7.1470 110.9928 52.4629 34.9870 174.3989 131 P 5.0120 0.0000 0.0000 62.8096 32.3601 176.3960 132 V 4.4109 8.6805 123.5724 62.9674 32.5180 174.9757 133 F 5.1274 9.0248 121.3172 55.6226 42.3006 172.4294 134 L 5.0017 8.9850 121.0970 53.9603 42.7958 175.5856 135 G 4.2642 9.5366 114.4949 44.1928 0.0000 173.3873 136 G 2.7217 7.7052 111.1807 44.1828 0.0000 173.3433 137 T 4.5597 7.3498 108.2862 59.3934 71.3761 173.1777 138 K 4.3890 8.3563 123.0980 55.7182 34.8532 177.0975 139 G 4.0973 8.6828 108.7026 45.9757 0.0000 174.8948 140 G 4.0852 7.1067 112.1039 45.5811 0.0000 175.4806 141 Q 4.1572 8.6326 119.1726 58.0546 29.3978 176.2531 142 D 4.7119 7.8589 116.4617 53.8190 42.0789 175.3633 143 I 4.3076 8.4545 123.5539 60.6286 38.4625 176.2818 144 T 4.7064 8.3708 114.1678 61.1373 70.3171 173.0639 145 D 5.2179 7.6506 122.4582 52.9280 43.6800 175.2714 146 W 5.7180 9.4292 121.4294 55.4786 34.5471 173.8086 147 T 5.0970 9.2018 110.1190 60.2897 71.8575 172.5235 148 M 5.2227 8.7308 121.7944 53.9333 35.3095 174.4223 149 Q 4.8354 8.8287 123.9308 54.0976 31.9119 175.0307 150 F 4.6579 9.2128 122.3928 57.3145 40.2952 175.3046 151 V 4.7293 8.2314 115.0718 59.2373 34.5983 177.3072 152 S 3.9565 8.9172 118.2303 59.7499 63.0382 174.5730 153 S 4.1800 8.0144 120.1012 58.7216 63.6246 169.8694 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 A 8.26 4.32 1.30 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 0.00 0.00 0.00 2 P 0.00 4.13 0.00 2.13 2.13 0.00 3.66 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 2.03 2.13 0.00 3 V 8.27 4.42 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 0.79 0.00 0.00 1.01 0.00 0.00 4 R 8.40 4.65 0.00 1.89 1.95 0.00 3.05 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 5 S 8.65 5.60 0.00 3.78 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 6 L 8.85 4.93 0.00 1.93 1.92 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.87 5.40 0.00 2.72 2.79 0.00 0.00 6.63 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 8 C 8.77 5.11 0.00 2.90 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 9 T 8.78 5.13 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 10 L 8.61 5.40 0.00 1.49 1.63 -0.29 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 11 R 9.01 5.14 0.00 1.83 1.82 0.00 3.32 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 12 D 8.61 4.49 0.00 1.89 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.09 4.05 0.00 3.93 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 14 Q 7.95 4.36 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 15 Q 7.99 3.62 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.39 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 16 K 8.34 4.35 0.00 1.85 1.70 0.00 1.55 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.80 1.17 7.81 17 S 9.01 5.06 0.00 3.78 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 18 L 8.37 5.38 0.00 1.69 1.65 1.06 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.71 4.79 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 0.81 0.00 0.00 1.00 0.00 0.00 20 M 8.53 4.20 0.00 1.83 1.95 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.38 0.00 21 S 9.94 4.02 0.00 3.78 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.63 4.13 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 0.00 0.00 0.00 23 P 0.00 4.17 0.00 1.33 1.93 0.00 3.69 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.91 0.00 24 Y 7.56 4.94 0.00 3.00 2.95 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 25 E 8.09 4.86 0.00 2.06 1.83 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 2.33 2.41 0.00 26 L 8.66 5.26 0.00 1.70 1.60 1.07 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.26 5.23 0.00 1.67 1.69 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.40 7.81 28 A 8.61 5.43 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 29 L 8.60 4.74 0.00 2.00 1.83 0.94 0.87 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 30 H 10.43 4.66 0.00 3.02 3.32 0.00 5.79 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.26 4.83 0.00 1.55 1.51 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.58 4.53 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.42 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 33 G 8.58 3.94 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 0.00 0.00 0.00 34 Q 8.60 4.26 0.00 2.25 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.26 0.00 35 D 8.13 4.45 0.00 2.71 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 36 M 8.04 3.98 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.66 0.00 37 E 8.19 4.03 0.00 2.24 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 2.32 2.39 0.00 38 Q 8.13 4.16 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 39 Q 7.34 4.31 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.83 0.00 0.00 0.00 0.00 0.00 2.45 2.28 0.00 40 V 8.33 3.55 1.71 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 -0.12 0.00 0.00 0.81 0.00 0.00 41 V 7.99 4.22 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 0.87 0.00 0.00 0.87 0.00 0.00 42 F 9.14 4.97 0.00 2.95 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 43 S 9.19 4.95 0.00 3.79 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 M 9.07 4.67 0.00 2.01 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 2.26 1.87 0.00 45 S 8.70 5.25 0.00 3.87 3.80 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 46 F 8.99 4.77 0.00 2.99 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 47 V 7.73 4.40 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 0.78 0.00 0.00 0.97 0.00 0.00 48 Q 8.77 4.25 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.11 0.00 0.00 0.00 0.00 0.00 2.59 2.47 0.00 49 G 8.39 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 0.00 0.00 0.00 50 E 8.34 3.93 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 51 E 8.48 4.94 0.00 1.96 1.79 0.00 0.00 0.00 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 2.42 0.00 52 S 8.69 4.65 0.00 3.86 3.66 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 53 N 8.85 4.37 0.00 2.88 2.96 0.00 0.00 5.85 8.06 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 54 D 8.12 4.79 0.00 2.82 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 55 K 7.90 4.76 0.00 1.83 1.71 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.42 7.81 56 I 8.72 4.97 2.01 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 1.37 0.86 1.18 0.00 0.00 57 P 0.00 4.96 0.00 2.16 2.22 0.00 3.73 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.05 0.00 58 V 9.50 4.96 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 0.51 0.00 0.00 1.06 0.00 0.00 59 A 8.81 5.38 1.30 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 0.00 0.00 0.00 60 L 8.85 4.80 0.00 1.28 1.14 -0.43 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.54 3.80 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 0.00 0.00 0.00 62 L 8.02 4.40 0.00 1.46 1.37 0.79 0.43 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 63 K 8.60 3.88 0.00 1.66 1.64 0.00 1.91 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.53 7.81 64 E 9.01 3.86 0.00 2.11 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 2.19 2.28 0.00 65 K 7.72 4.57 0.00 1.58 1.57 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.40 7.81 66 N 8.45 4.86 0.00 3.00 3.04 0.00 0.00 5.99 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.23 5.35 0.00 1.46 1.55 0.83 0.99 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 68 Y 9.06 5.13 0.00 2.69 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 69 L 8.99 4.80 0.00 1.61 1.74 0.49 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 70 S 9.78 4.97 0.00 3.91 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 C 8.66 5.41 0.00 2.83 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 72 V 8.72 4.70 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 0.63 0.00 0.00 0.95 0.00 0.00 73 L 8.50 4.45 0.00 1.51 1.53 0.95 0.43 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 74 K 8.53 4.22 0.00 1.67 1.57 0.00 1.73 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.29 7.81 75 D 9.12 4.01 0.00 2.80 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 76 D 8.37 4.48 0.00 2.84 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 77 K 7.36 4.38 0.00 1.74 1.47 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.17 0.00 0.00 3.43 0.00 0.00 0.00 0.00 1.09 1.24 7.81 78 P 0.00 3.56 0.00 0.49 0.49 0.00 2.44 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.59 0.00 79 T 8.83 4.71 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 1.23 0.00 0.00 80 L 8.65 5.18 0.00 1.80 1.70 1.15 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 9.11 4.76 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 82 L 8.56 5.12 0.00 1.93 1.88 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 83 E 9.53 4.76 0.00 2.08 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 2.29 2.27 0.00 84 S 8.73 5.03 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 85 V 8.18 4.51 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 0.05 0.00 0.00 0.74 0.00 0.00 86 D 8.72 4.43 0.00 2.78 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 87 P 0.00 4.51 0.00 2.26 2.22 0.00 3.86 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 2.03 2.03 0.00 88 K 8.71 4.24 0.00 1.91 1.92 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.57 7.81 89 N 8.01 4.71 0.00 2.65 2.58 0.00 0.00 6.77 7.28 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 90 Y 7.61 4.60 0.00 2.88 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 91 P 0.00 4.76 0.00 2.26 2.31 0.00 3.82 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 92 K 7.83 4.63 0.00 1.67 1.51 0.00 1.34 0.00 0.00 1.30 0.00 0.00 2.34 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.85 1.39 7.81 93 K 8.75 4.02 0.00 1.83 1.92 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.44 7.81 94 K 7.52 4.69 0.00 1.66 1.69 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.48 7.81 95 M 7.91 4.41 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.70 0.00 96 E 8.92 4.16 0.00 2.28 1.86 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 2.54 2.45 0.00 97 K 8.79 3.76 0.00 1.72 1.67 0.00 1.50 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.29 7.81 98 R 7.68 3.69 0.00 1.89 1.88 0.00 2.60 0.00 0.00 3.02 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.50 0.00 99 F 7.59 4.78 0.00 3.22 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 0.00 100 V 7.47 4.43 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 1.02 0.00 0.00 0.99 0.00 0.00 101 F 9.34 5.22 0.00 3.09 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 0.00 102 N 9.61 5.03 0.00 2.71 2.82 0.00 0.00 6.58 6.85 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 0.00 103 K 9.44 4.43 0.00 1.90 1.86 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 0.93 7.81 104 I 8.53 4.92 1.87 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.94 0.93 0.00 0.00 105 E 8.70 4.87 0.00 1.88 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 2.30 2.25 0.00 106 I 8.30 4.38 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.61 0.87 0.00 0.00 107 N 8.18 3.93 0.00 2.68 2.81 0.00 0.00 6.60 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 N 7.76 4.88 0.00 2.81 2.82 0.00 0.00 5.84 7.13 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 0.00 109 K 7.90 4.80 0.00 1.65 1.90 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.34 7.81 110 L 9.09 5.25 0.00 1.44 1.04 0.93 1.00 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 0.00 111 E 8.70 5.16 0.00 1.87 1.81 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 2.41 2.19 0.00 112 F 9.00 5.18 0.00 2.79 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 0.00 113 E 9.06 4.85 0.00 2.05 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 2.12 1.68 0.00 114 S 8.95 4.24 0.00 4.02 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 0.00 115 A 8.50 4.01 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 0.00 116 Q 7.92 3.51 0.00 1.56 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.95 0.00 0.00 0.00 0.00 0.00 1.42 1.16 0.00 117 F 7.93 4.68 0.00 3.01 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 0.00 118 P 0.00 4.47 0.00 2.12 2.05 0.00 3.88 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 2.05 2.12 0.00 119 N 9.59 4.17 0.00 2.89 2.98 0.00 0.00 6.87 7.61 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 0.00 120 W 7.75 4.64 0.00 3.56 3.22 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 0.00 121 Y 9.29 5.52 0.00 2.85 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 0.00 122 I 8.76 4.40 1.82 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.60 0.69 0.00 0.00 123 S 9.70 5.15 0.00 2.72 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 0.00 124 T 8.44 5.12 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 1.27 0.00 0.00 125 S 8.75 4.98 0.00 4.02 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 0.00 126 Q 8.76 4.06 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.48 2.30 0.00 127 A 7.51 4.19 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 0.00 128 E 8.57 4.13 0.00 2.10 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 2.40 2.38 0.00 129 N 8.30 4.22 0.00 2.91 2.86 0.00 0.00 7.07 7.01 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 0.00 130 M 7.15 4.76 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.83 0.00 131 P 0.00 5.01 0.00 2.04 2.20 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 132 V 8.68 4.41 2.21 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 0.89 0.00 0.00 1.14 0.00 0.00 133 F 9.02 5.13 0.00 3.20 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 0.00 134 L 8.99 5.00 0.00 1.86 1.90 1.22 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 135 G 9.54 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 0.00 0.00 0.00 136 G 7.71 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 0.00 0.00 0.00 137 T 7.35 4.56 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 1.10 0.00 0.00 138 K 8.36 4.39 0.00 1.70 1.56 0.00 0.61 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.93 1.06 7.81 139 G 8.68 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 0.00 140 G 7.11 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 0.00 0.00 0.00 141 Q 8.63 4.16 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 142 D 7.86 4.71 0.00 2.76 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 0.00 143 I 8.45 4.31 1.61 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.88 0.54 0.00 0.00 144 T 8.37 4.71 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 1.17 0.00 0.00 145 D 7.65 5.22 0.00 2.48 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 W 9.43 5.72 0.00 3.28 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 0.00 147 T 9.20 5.10 4.31 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 1.26 0.00 0.00 148 M 8.73 5.22 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.01 0.00 149 Q 8.83 4.84 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 150 F 9.21 4.66 0.00 2.92 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 V 8.23 4.73 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 0.90 0.00 0.00 1.02 0.00 0.00 152 S 8.92 3.96 0.00 3.99 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 0.00 153 S 8.01 4.18 0.00 4.11 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