NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5017 8.3049 120.3196 54.8985 34.6727 176.0013 2 D 4.5852 7.2106 123.9354 53.1381 40.0568 174.2621 3 G 4.2240 8.7766 115.9979 45.6621 0.0000 171.9656 4 R 4.1137 8.7308 118.4829 59.6544 30.5809 176.5669 5 I 3.9095 7.7750 120.1119 61.4071 37.4112 176.7095 6 K 4.0761 9.1146 128.6345 57.4284 33.8712 176.3775 7 E 4.8709 7.7059 118.3698 54.7567 33.9252 174.7611 8 V 5.4741 8.3088 122.1436 59.3663 34.9504 174.4999 9 S 4.6758 8.2433 113.7617 57.5930 66.1096 174.2795 10 V 4.4692 8.5640 122.1198 62.5905 30.8988 175.3902 11 F 4.5182 9.9545 132.4768 61.5776 40.1050 174.5885 12 T 4.4689 7.8218 110.5340 62.5772 70.7185 170.8587 13 Y 5.4720 7.9887 117.8492 56.8243 40.8525 173.4138 14 H 5.0176 9.1939 114.5659 54.9793 32.4211 174.0308 15 K 3.7228 9.8986 118.3418 56.5604 34.6237 172.4251 16 K 3.4771 8.0003 129.0428 55.0447 28.3060 170.1980 17 Y 4.9990 7.7203 120.4209 56.0345 42.3288 175.5935 18 N 4.0336 9.3600 114.2924 55.9604 35.5633 171.7237 19 P 3.9651 0.0000 0.0000 61.9324 30.4899 173.7348 20 D 4.4362 8.2414 129.4174 54.9986 45.1691 176.4155 21 K 4.4679 7.8592 118.9231 56.1691 33.8095 175.3165 22 H 5.0312 8.1773 114.7197 55.1939 31.7981 172.6340 23 Y 4.2790 8.5815 116.6725 56.9653 39.6297 174.7763 24 I 4.7020 8.5101 122.2943 59.5143 41.6851 173.5389 25 Y 5.0350 9.3411 126.8956 56.5241 40.3657 174.6693 26 V 4.5232 9.2010 124.7918 61.6711 33.4657 174.4698 27 V 4.9586 8.9983 128.6983 61.2952 33.8781 174.0396 28 R 4.3134 8.9960 128.7898 54.7205 32.0436 174.7719 29 I 4.7918 8.1862 126.8318 59.2314 40.8755 173.9477 30 L 4.8256 8.7426 129.0864 53.2366 44.4763 175.2489 31 R 4.9628 8.2549 124.0964 54.1321 33.0772 176.6822 32 E 3.8978 9.4030 122.2903 59.5780 29.5872 178.9208 33 G 3.7730 7.9476 104.7342 46.1316 0.0000 172.8867 34 Q 4.6787 7.6672 120.4503 54.2632 31.6130 175.3391 35 I 3.9992 8.3246 122.9560 63.5057 37.7953 176.4596 36 E 4.5486 7.7335 117.9097 53.9427 30.8938 174.0740 37 P 4.4669 0.0000 0.0000 63.1979 32.3852 175.4452 38 S 4.7929 8.5875 116.6470 56.9609 65.8836 173.2363 39 F 5.1001 8.5565 119.3541 55.8613 41.9597 174.9115 40 V 4.5950 8.5586 115.4702 59.4282 36.0189 174.4416 41 F 5.3246 8.9785 120.9132 55.9639 41.1877 175.5013 42 R 5.1297 9.5741 123.1399 54.6581 34.5371 175.7188 43 T 4.9124 9.6034 114.4617 60.9294 70.1882 175.3692 44 F 4.2316 9.4175 123.2962 61.8384 39.2499 176.8032 45 D 4.3648 8.4302 117.9335 57.3166 40.6814 178.4377 46 E 4.1279 8.2725 118.9073 59.2966 29.4630 179.3347 47 F 3.8765 8.4721 117.9603 60.5613 38.9067 177.5231 48 Q 2.5751 7.9465 119.3389 58.4794 28.6577 177.7781 49 E 3.7624 8.4153 120.8465 59.0153 29.6139 178.3636 50 L 3.7709 7.7075 120.3057 58.5028 42.0709 178.4681 51 H 3.9774 7.7466 117.8380 59.3269 29.4828 176.9192 52 N 4.2394 7.9450 117.4693 56.1394 38.5020 177.3320 53 K 4.0734 8.2894 120.2465 59.4804 32.1132 179.4239 54 L 4.1327 8.0620 119.3433 58.0051 41.2564 179.8288 55 S 4.2095 7.8722 114.3359 61.3619 62.7175 176.3446 56 I 3.7908 7.2588 122.1242 63.9263 36.9546 177.6116 57 I 3.9327 7.4720 110.8832 60.2375 38.7286 175.4913 58 F 4.8450 7.4455 118.9193 54.3198 41.8701 173.4155 59 P 4.4807 0.0000 0.0000 62.5619 32.0083 177.5630 60 L 4.1471 8.5358 120.1667 57.0441 41.8635 179.4515 61 W 4.3855 8.1636 115.0663 59.0193 28.1621 177.2497 62 K 3.5349 6.9730 116.9715 57.0631 31.7343 176.6597 63 L 4.6312 7.1318 118.3565 51.7446 44.0003 174.6411 64 P 4.4537 0.0000 0.0000 62.0676 31.9188 176.8766 65 G 3.7950 8.6584 109.7383 46.0868 0.0000 172.5621 66 F 4.4846 8.5036 125.7251 55.5132 41.1693 174.9109 67 P 4.3992 0.0000 0.0000 61.8598 29.4347 174.5934 68 N 5.0117 7.8726 122.0939 54.2644 40.8742 174.5012 69 R 4.1713 8.6438 124.7751 58.5401 33.5865 175.7429 70 M 3.3034 9.0528 113.5358 57.3061 29.3188 177.2179 71 V 3.9038 7.4129 122.2173 59.6102 32.9912 178.0426 72 L 5.7507 7.6734 131.6569 54.3151 40.1005 176.7231 73 G 3.9824 7.9183 109.3793 46.4716 0.0000 169.6165 74 R 3.8607 9.2836 130.5858 56.5622 29.4431 176.3076 75 T 4.4409 7.8877 115.5802 60.2539 72.3506 168.7647 76 H 4.8790 8.7020 113.2448 59.2212 31.2886 178.7480 77 I 3.2861 7.5618 126.4596 62.4804 36.6921 175.5779 78 K 4.6473 8.5048 123.9675 56.2592 33.0489 177.1174 79 D 4.4027 7.6892 118.5066 56.0145 40.6243 178.1436 80 V 3.3865 7.4794 119.3274 65.7054 31.6432 177.3446 81 A 3.9157 7.7350 121.0773 54.4086 17.5747 179.3245 82 A 3.8581 7.4736 118.6152 55.0284 18.5225 179.5951 83 K 3.6703 8.0579 118.2693 59.7860 32.3100 179.3707 84 R 3.7220 8.2415 118.6614 58.5274 29.8352 178.7299 85 K 3.8775 7.9248 119.7960 59.7644 32.1202 178.8482 86 I 3.7030 7.2183 119.3697 64.5499 37.0826 178.4232 87 E 3.9053 8.0626 119.4238 59.2346 29.1703 179.4353 88 L 3.7829 8.2382 119.5286 57.4227 41.5888 178.7959 89 N 4.3610 8.0597 117.0822 57.0504 38.8899 177.1471 90 S 4.1889 8.3572 116.5608 61.4085 62.8090 176.0349 91 Y 4.0037 8.1158 122.3892 60.7605 38.6050 178.1044 92 L 4.0788 8.3329 120.0023 57.8980 41.7786 179.5753 93 Q 3.9944 8.2030 117.9019 59.0675 28.4539 179.0207 94 S 4.0469 7.7675 114.7664 61.4680 63.2570 176.1822 95 L 3.8719 7.8938 123.2698 58.3692 41.6514 178.4765 96 M 4.3627 7.9368 115.4525 56.4939 32.0947 177.1161 97 N 4.8327 7.3451 115.1290 52.2537 39.3874 174.4380 98 A 4.2345 7.2795 124.5776 50.9425 19.5698 178.4129 99 S 4.2207 8.2700 113.5430 59.3166 64.4658 175.5454 100 T 3.8127 8.4810 120.2362 66.8991 68.0146 176.4797 101 D 4.3554 8.0147 119.7747 56.1221 39.4996 178.4847 102 V 3.2971 6.9190 119.4885 65.4215 31.5036 177.9662 103 A 4.0736 7.9784 119.1535 54.1697 18.4679 178.4452 104 E 4.6251 8.2401 116.0529 55.4970 30.2776 175.8652 105 C 4.7446 7.3084 115.4994 57.7084 31.9760 173.8301 106 D 4.3763 8.6107 120.2710 57.4681 40.8348 178.4231 107 L 3.9769 7.8808 119.0791 57.6869 41.4883 179.5098 108 V 3.4531 7.6511 116.3076 66.2186 31.8182 177.0538 109 C 4.2344 8.4369 116.9196 63.4517 28.0662 176.4603 110 T 3.8857 8.2243 117.2168 66.6624 67.8296 176.3010 111 F 3.9991 7.8313 121.1344 61.0862 39.4016 176.3314 112 F 4.5922 7.6214 114.1636 57.1263 39.3942 175.0540 113 H 4.7806 7.5850 117.0618 55.2344 29.7046 174.2381 114 G 3.8640 8.9461 113.3555 46.0712 0.0000 173.7908 115 S 4.3022 9.0056 121.2256 61.7341 63.1543 176.1421 116 H 4.7354 7.9167 111.8356 57.4578 31.8075 173.0811 117 H 4.6658 8.0527 118.6215 57.3018 29.4907 173.5575 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 M 8.30 4.50 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.62 0.00 2 D 7.21 4.59 0.00 2.63 2.43 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 3 G 8.78 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 0.00 0.00 0.00 4 R 8.73 4.11 0.00 1.89 1.96 0.00 3.18 0.00 0.00 3.32 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 5 I 7.77 3.91 1.74 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.35 0.62 0.00 0.00 6 K 9.11 4.08 0.00 1.64 1.89 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.43 7.81 7 E 7.71 4.87 0.00 1.83 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 0.00 2.26 2.25 0.00 8 V 8.31 5.47 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 0.51 0.00 0.00 1.00 0.00 0.00 9 S 8.24 4.68 0.00 3.98 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 10 V 8.56 4.47 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 1.13 0.00 0.00 1.11 0.00 0.00 11 F 9.95 4.52 0.00 3.16 3.43 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 12 T 7.82 4.47 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 1.30 0.00 0.00 13 Y 7.99 5.47 0.00 2.65 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 14 H 9.19 5.02 0.00 3.23 3.40 0.00 5.26 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 15 K 9.90 3.72 0.00 1.43 1.66 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.68 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.15 0.90 7.81 16 K 8.00 3.48 0.00 1.94 1.76 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 1.01 7.81 17 Y 7.72 5.00 0.00 2.92 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 9.36 4.03 0.00 2.83 2.85 0.00 0.00 7.01 8.02 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 19 P 0.00 3.97 0.00 2.11 2.04 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.21 0.00 20 D 8.24 4.44 0.00 2.59 2.82 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 21 K 7.86 4.47 0.00 1.69 1.65 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.34 7.81 22 H 8.18 5.03 0.00 3.17 3.21 0.00 5.51 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 8.58 4.28 0.00 2.87 2.59 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 24 I 8.51 4.70 1.87 0.00 0.00 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 1.46 1.97 0.95 0.00 0.00 25 Y 9.34 5.03 0.00 3.63 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 9.20 4.52 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.23 0.00 0.00 27 V 9.00 4.96 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 1.23 0.00 0.00 1.29 0.00 0.00 28 R 9.00 4.31 0.00 1.80 1.75 0.00 3.11 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.77 0.00 29 I 8.19 4.79 1.63 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.75 0.62 0.00 0.00 30 L 8.74 4.83 0.00 1.59 1.39 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.25 4.96 0.00 1.71 1.73 0.00 3.16 0.00 0.00 3.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 32 E 9.40 3.90 0.00 1.88 2.02 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 2.33 2.25 0.00 33 G 7.95 3.77 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 0.00 0.00 0.00 34 Q 7.67 4.68 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.54 2.27 0.00 35 I 8.32 4.00 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.94 0.91 0.00 0.00 36 E 7.73 4.55 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 37 P 0.00 4.47 0.00 1.36 1.79 0.00 3.74 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 1.98 1.94 0.00 38 S 8.59 4.79 0.00 3.59 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 39 F 8.56 5.10 0.00 2.78 2.64 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 40 V 8.56 4.59 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 0.71 0.00 0.00 0.81 0.00 0.00 41 F 8.98 5.32 0.00 3.01 3.12 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 0.00 0.00 0.00 0.00 42 R 9.57 5.13 0.00 1.81 1.72 0.00 2.73 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.83 0.00 43 T 9.60 4.91 4.55 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 1.49 0.00 0.00 44 F 9.42 4.23 0.00 3.31 3.30 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 45 D 8.43 4.36 0.00 2.86 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 46 E 8.27 4.13 0.00 2.39 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 0.00 2.39 2.44 0.00 47 F 8.47 3.88 0.00 3.10 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 48 Q 7.95 2.58 0.00 1.57 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.15 0.00 49 E 8.42 3.76 0.00 2.02 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 2.26 2.27 0.00 50 L 7.71 3.77 0.00 1.38 1.38 0.79 -0.13 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 51 H 7.75 3.98 0.00 2.54 2.68 0.00 5.64 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 52 N 7.95 4.24 0.00 2.76 2.78 0.00 0.00 7.12 7.25 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 53 K 8.29 4.07 0.00 1.71 1.80 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.61 7.81 54 L 8.06 4.13 0.00 1.80 1.82 0.90 1.06 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 55 S 7.87 4.21 0.00 3.93 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 56 I 7.26 3.79 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.68 0.84 0.00 0.00 57 I 7.47 3.93 1.30 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.15 0.73 0.00 0.00 58 F 7.45 4.84 0.00 3.02 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 59 P 0.00 4.48 0.00 2.30 2.28 0.00 3.73 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 1.70 2.09 0.00 60 L 8.54 4.15 0.00 1.81 1.84 0.98 0.88 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 61 W 8.16 4.39 0.00 3.51 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 62 K 6.97 3.53 0.00 1.40 1.26 0.00 1.43 0.00 0.00 1.27 0.00 0.00 2.65 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 0.21 7.81 63 L 7.13 4.63 0.00 1.66 1.62 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.45 0.00 2.09 1.92 0.00 3.68 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.87 0.00 65 G 8.66 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 66 F 8.50 4.48 0.00 2.32 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 67 P 0.00 4.40 0.00 2.08 1.82 0.00 2.20 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.42 0.00 68 N 7.87 5.01 0.00 3.01 2.86 0.00 0.00 7.07 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.64 4.17 0.00 1.63 1.43 0.00 3.18 0.00 0.00 3.11 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.51 0.00 70 M 9.05 3.30 0.00 2.30 2.47 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 3.00 0.00 71 V 7.41 3.90 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 0.77 0.00 0.00 0.93 0.00 0.00 72 L 7.67 5.75 0.00 1.77 1.68 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.92 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 0.00 0.00 0.00 74 R 9.28 3.86 0.00 2.01 1.84 0.00 3.31 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 75 T 7.89 4.44 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 76 H 8.70 4.88 0.00 3.11 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.56 3.29 1.86 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 1.44 0.58 0.95 0.00 0.00 78 K 8.50 4.65 0.00 1.71 1.65 0.00 1.99 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.39 1.51 7.81 79 D 7.69 4.40 0.00 2.47 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.48 3.39 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.85 0.00 0.00 81 A 7.74 3.92 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.47 3.86 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.06 3.67 0.00 1.84 1.85 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.40 7.81 84 R 8.24 3.72 0.00 1.81 1.42 0.00 2.91 0.00 0.00 2.67 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.44 0.00 85 K 7.92 3.88 0.00 2.12 2.11 0.00 1.82 0.00 0.00 2.08 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.58 1.76 7.81 86 I 7.22 3.70 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.42 0.89 0.00 0.00 87 E 8.06 3.91 0.00 1.82 1.80 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 2.23 2.40 0.00 88 L 8.24 3.78 0.00 1.24 0.97 -0.40 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.06 4.36 0.00 2.94 3.00 0.00 0.00 7.20 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.36 4.19 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 91 Y 8.12 4.00 0.00 3.04 3.12 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 0.00 0.00 0.00 0.00 92 L 8.33 4.08 0.00 2.05 1.92 1.44 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.20 3.99 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.66 2.56 0.00 94 S 7.77 4.05 0.00 3.91 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 95 L 7.89 3.87 0.00 1.63 1.62 0.82 0.71 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 96 M 7.94 4.36 0.00 2.00 2.06 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 2.58 2.94 0.00 97 N 7.35 4.83 0.00 2.74 2.78 0.00 0.00 6.91 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 98 A 7.28 4.23 1.15 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 0.00 0.00 99 S 8.27 4.22 0.00 4.03 3.96 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 0.00 100 T 8.48 3.81 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 1.24 0.00 0.00 101 D 8.01 4.36 0.00 2.94 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 0.00 102 V 6.92 3.30 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 0.63 0.00 0.00 -0.30 0.00 0.00 103 A 7.98 4.07 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.24 4.63 0.00 2.08 1.93 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 2.22 2.35 0.00 105 C 7.31 4.74 0.00 3.27 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 D 8.61 4.38 0.00 2.75 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 0.00 107 L 7.88 3.98 0.00 1.76 1.69 0.91 0.85 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 0.00 108 V 7.65 3.45 2.26 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 1.12 0.00 0.00 0.94 0.00 0.00 109 C 8.44 4.23 0.00 2.99 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 0.00 110 T 8.22 3.89 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 1.26 0.00 0.00 111 F 7.83 4.00 0.00 2.89 2.82 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 0.00 112 F 7.62 4.59 0.00 3.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 7.59 4.78 0.00 3.30 3.20 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.95 3.86 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 0.00 0.00 0.00 115 S 9.01 4.30 0.00 3.93 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 0.00 116 H 7.92 4.74 0.00 3.14 3.31 0.00 5.74 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 0.00 117 H 8.05 4.67 0.00 3.04 3.13 0.00 5.80 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