NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 4.9328 8.3249 123.0329 58.4504 40.4570 174.0861 4 H 4.5583 8.2846 122.5170 52.6436 32.8049 171.2040 5 L 3.9684 8.2888 124.3768 56.2006 43.4449 176.4780 6 G 3.7500 8.3827 111.7969 43.9744 0.0000 172.9705 7 K 4.2193 7.9363 117.4383 56.0981 33.3065 177.5141 8 C 4.1154 8.4000 117.5206 56.1899 40.6348 172.4560 9 P 4.4464 0.0000 0.0000 63.1102 31.7852 176.0263 10 N 5.0258 8.1176 117.9769 50.9579 38.6815 172.1361 11 P 4.5975 0.0000 0.0000 60.6994 32.6024 175.6171 12 P 4.3273 0.0000 0.0000 63.2249 31.7370 175.8218 13 V 4.3291 7.7719 112.8374 59.1305 34.5460 175.2155 14 Q 4.0371 8.5247 123.7252 56.9504 29.0323 176.2306 15 E 4.1875 8.9496 126.0025 56.7185 30.6390 176.1889 16 N 4.1814 8.8978 118.4094 53.9758 36.4103 174.7033 17 F 4.3371 8.4917 119.3586 58.5090 40.1182 173.5947 18 D 4.3972 8.5505 128.9939 51.9277 41.0028 176.8359 19 V 3.2964 7.5570 127.4803 64.2788 31.5970 178.4344 20 N 4.3982 8.0028 117.2349 55.3036 38.3675 175.7755 21 K 4.2895 7.5901 115.6537 56.5694 32.6305 176.6044 22 Y 4.8926 7.7933 119.7031 58.4459 39.1153 173.4438 23 P 4.8340 0.0000 0.0000 62.2250 33.3441 174.9407 24 G 3.7020 9.1795 103.0716 44.0890 0.0000 171.5719 25 R 4.6889 7.8388 119.9144 54.7287 31.6193 177.1850 26 W 5.0437 8.9074 125.2353 55.1434 33.2897 173.7701 27 Y 5.0747 9.3814 121.6513 56.4979 39.8943 174.4679 28 E 4.5555 9.0959 125.2664 56.4807 30.0372 175.9654 29 I 4.3393 9.4572 128.5247 63.3645 38.7399 175.6715 30 E 5.3948 8.0408 119.3169 55.0937 34.1844 174.0736 31 K 4.8881 8.4744 119.7397 55.7643 36.1987 175.3760 32 I 3.9802 7.9531 122.8058 60.1403 37.4291 174.7962 33 P 4.3473 0.0000 0.0000 63.2206 31.9025 176.2806 34 T 3.8679 8.6460 120.2844 65.5442 69.1641 175.4567 *39 G 3.7710 7.6614 107.8237 45.2130 0.0000 171.5840 40 R 4.6775 8.3142 116.8937 54.6519 32.4662 174.3880 41 C 4.8458 9.0974 112.0991 57.3498 39.2366 173.8655 42 I 4.4305 7.7974 120.5150 61.5499 37.8665 175.4043 43 Q 4.9846 9.2619 123.7751 54.4994 32.6649 173.5059 44 A 5.0901 9.2601 122.0240 50.1492 22.5196 174.8212 45 N 5.1522 8.9100 118.7058 51.5971 41.7856 173.1421 46 Y 5.6499 8.7990 122.1680 56.2736 41.1455 175.1011 47 S 5.0417 9.0058 117.1648 56.3397 66.7479 173.7420 48 L 4.4010 8.5214 122.1283 54.6255 42.9513 177.0668 *50 E 3.8943 8.6596 117.3043 56.4376 29.1822 176.2694 *52 G 4.0193 8.2439 111.3361 45.8409 0.0000 170.5739 53 K 4.5725 8.1665 120.5588 56.4577 33.1148 176.7299 54 I 4.7793 8.6515 124.0863 59.4034 41.2726 174.4972 55 K 4.5736 9.3980 128.9812 55.9462 33.6617 175.4971 56 V 5.1037 8.8820 126.9487 61.0326 34.7381 173.8500 57 L 5.1018 9.0426 129.1899 53.5762 44.8105 174.4571 58 N 5.4095 9.2939 124.7882 51.8391 41.0538 174.3308 59 Q 5.1806 8.9780 121.1785 54.4338 33.7847 173.7938 60 E 5.0225 9.0810 118.8759 55.1239 33.7932 173.6900 61 L 5.1234 8.8118 120.7270 53.6089 44.2050 176.8420 62 R 4.7188 8.8240 122.2553 54.5519 32.2010 177.4058 63 A 3.9487 8.6545 122.6849 55.4777 18.3096 178.3744 64 D 4.4538 8.0051 112.5314 54.0444 39.8620 177.2203 65 G 3.9221 8.3501 109.1688 45.6458 0.0000 173.8780 66 T 4.2636 8.2146 110.3476 60.9294 69.9418 173.3774 67 V 4.8135 8.0943 121.9084 61.1830 33.8696 173.9348 68 N 5.0802 8.8885 126.8295 51.9574 40.6548 173.4426 69 Q 5.2187 8.6380 123.1357 54.5391 32.1837 174.3221 70 I 4.7335 8.8132 119.9330 59.5525 41.9101 173.4442 71 E 5.3199 8.9172 126.7879 55.1987 32.8644 175.5649 72 G 4.0563 8.8281 108.6329 45.7413 0.0000 171.0191 73 E 5.1611 8.6871 117.7603 54.5008 34.2791 174.5914 74 A 4.9321 9.0692 125.2755 50.3691 21.7718 175.4257 75 T 4.7838 8.6043 119.4279 60.6630 71.8067 172.1563 76 P 4.5930 0.0000 0.0000 62.8628 31.3716 176.9032 77 V 3.8026 9.0085 124.5543 65.1283 31.6601 175.1657 78 N 4.9517 7.4973 113.9344 51.7593 39.8802 173.8482 79 L 4.3272 8.3167 116.6509 55.9231 42.2027 178.2025 80 T 4.2225 8.2528 115.6347 64.8972 69.2064 174.6569 81 E 4.5839 7.9144 121.2302 53.2895 30.1627 174.2735 82 P 4.3627 0.0000 0.0000 64.7420 31.8869 177.8342 83 A 3.3366 7.9792 120.9352 52.6003 18.8558 176.3109 84 K 4.4707 7.9652 116.9315 54.8694 33.3375 175.7553 85 L 5.2757 8.7680 125.3677 52.6594 45.6349 175.3654 86 E 5.1363 9.2204 117.7889 54.6816 32.9785 174.8878 87 V 4.4984 8.8029 122.2122 60.9742 34.6022 174.1617 88 K 4.7108 8.4170 127.1404 54.8327 34.8980 176.5539 89 F 4.7912 8.8191 123.4852 57.0058 40.0524 175.7700 90 S 4.6182 7.3710 114.7576 55.7298 66.5599 174.7303 91 W 4.4390 8.8534 120.4383 59.5250 28.3714 177.0079 92 F 3.9104 5.4600 113.1762 54.9264 36.4410 173.5136 *94 P 4.1835 0.0000 0.0000 62.6618 32.8621 177.3276 95 S 4.5192 8.5817 116.5079 59.3071 63.5986 173.6048 96 A 4.8932 8.5592 124.0535 49.2182 21.9268 174.1582 97 P 4.6836 0.0000 0.0000 63.3735 32.5317 176.0497 98 Y 4.5481 9.4050 124.0767 56.2186 40.8186 172.3355 99 H 5.2540 9.0963 123.1375 53.8728 31.3439 174.1686 100 I 4.1757 8.3452 125.6104 60.3372 36.7682 176.6705 101 L 4.0752 8.7840 128.8426 57.5376 42.3506 177.9898 102 A 4.8260 7.7092 117.1982 51.6527 22.3473 175.5211 103 T 4.5146 9.1819 114.9233 61.3139 70.8027 172.9210 104 D 4.5781 7.1886 125.3342 52.3419 39.5489 177.8541 105 Y 4.2206 7.6253 115.3310 59.8387 37.3885 170.8264 106 E 4.6131 8.6810 116.2302 56.2044 31.7978 175.9158 107 N 5.1352 8.4714 113.9630 54.4010 42.1066 173.7193 108 Y 5.8308 8.6307 114.9752 55.8050 42.4313 173.6407 109 A 4.9290 9.2720 120.6214 50.5899 23.2789 174.8057 110 L 5.1192 9.2974 124.1228 53.2580 44.6728 175.2895 111 V 4.7762 8.9361 126.0211 61.2164 34.6902 173.4924 112 Y 5.4442 9.0530 127.7320 56.0817 42.5489 174.0053 113 S 4.6078 8.3119 119.2880 56.8706 66.2465 171.7892 114 C 5.2887 8.4237 125.7647 55.1234 47.7299 172.9299 115 T 4.9291 8.8516 121.4483 61.6074 71.8161 173.7865 116 S 4.6886 8.8992 120.8912 58.5778 64.3086 174.3128 117 I 4.5925 8.6076 123.1079 59.7538 37.4747 176.0542 118 S 4.0134 8.4525 122.2811 57.1684 63.1693 172.3692 119 Q 4.2643 8.5152 116.8639 57.3841 28.6935 177.0745 120 S 4.3218 8.1962 114.4719 59.0049 64.5693 173.7526 121 F 5.3040 7.8708 116.6584 56.2941 43.8224 173.0210 122 H 5.4027 8.9324 114.7785 54.7707 32.4318 172.5797 123 V 4.8059 8.9526 112.1933 59.6374 35.2003 174.6585 124 D 5.1138 8.1253 122.2318 51.9790 42.9884 174.1086 125 F 4.6450 8.5880 116.0951 56.3381 43.9117 173.5081 126 A 4.9673 7.3831 120.2844 50.7815 22.7467 175.2413 127 W 5.3777 9.3954 119.3105 55.0753 33.8229 174.3597 128 I 4.8314 9.0072 125.5485 60.0271 38.4378 174.9492 129 L 5.5322 9.3877 126.8498 53.2439 45.2875 175.3039 130 A 5.6103 9.4052 121.5226 50.8904 22.5756 177.6039 131 R 3.8926 8.9090 118.7625 58.4909 30.5008 177.1505 132 N 4.8186 8.1159 115.7510 51.6448 40.6001 175.5144 133 V 3.4892 7.8857 110.2847 62.1553 31.7838 176.0581 134 A 4.7226 7.2462 121.3866 50.9256 22.2286 175.5138 135 L 4.9691 8.0283 118.3064 51.8691 45.7582 175.2510 136 P 4.3752 0.0000 0.0000 62.1091 32.0108 175.7776 137 P 4.2744 0.0000 0.0000 65.9374 31.1719 178.6092 138 E 3.9339 8.1559 115.7531 59.6969 29.4052 179.3741 139 T 3.7043 7.8989 116.5888 66.2747 68.4634 176.8532 140 V 3.5543 7.7029 119.6319 66.1156 31.5250 177.5409 141 D 4.3189 8.3099 118.7429 57.6008 40.4636 178.9664 142 S 4.0731 7.7838 114.2572 61.5904 62.9993 176.5733 143 L 4.0803 7.9959 121.6686 57.6824 41.3194 179.5908 144 K 3.9605 8.3407 118.7584 59.5444 31.8697 179.0940 145 N 4.3020 8.2791 116.8843 56.1349 38.1363 177.4912 146 I 3.6336 7.2067 120.2834 64.2568 37.4708 178.0993 147 L 3.9305 7.7352 119.1260 58.1941 41.6703 179.3440 148 T 3.9470 8.1111 116.0499 66.8106 68.2796 176.2573 149 S 4.4176 8.0784 113.2786 59.6547 62.4381 174.3524 150 N 4.7499 7.8654 120.2836 52.9178 38.6651 174.6634 151 N 4.0500 7.8381 113.0766 54.3697 36.5115 173.9401 152 I 4.2469 6.7677 115.7710 59.2953 38.6504 175.3090 153 D 4.4172 8.5106 125.4768 54.2882 41.1069 176.0420 154 V 4.2523 8.1562 118.0368 61.1908 32.7463 177.6862 155 K 4.0137 8.4066 119.6212 58.3888 31.9630 177.4310 156 K 4.1621 7.1425 119.2538 55.0807 31.0702 175.8328 *158 T 4.1691 7.8541 113.5380 61.2328 70.7687 173.0257 159 V 4.4310 8.2049 123.0115 62.3558 32.2520 175.7737 160 T 4.1415 8.5684 125.6827 63.4483 69.5209 174.3117 161 D 4.5096 8.8410 125.4036 54.3511 41.8236 176.0123 162 Q 4.5321 8.6582 124.0896 55.6981 29.7928 177.9987 163 V 3.6139 7.9314 118.7444 65.5395 32.4543 176.7116 164 N 4.7737 8.3878 117.8242 52.0606 37.1371 173.6580 165 C 5.0512 7.3897 114.6409 54.2202 45.1260 173.0347 166 P 4.4577 0.0000 0.0000 62.4462 31.5801 175.9624 167 K 4.1786 8.4532 121.5513 55.9525 32.4436 176.7920 168 L 4.3836 8.4699 125.4183 54.9340 42.0447 176.3358 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 3 F 8.32 4.93 0.00 2.89 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 4 H 8.28 4.56 0.00 2.53 2.89 0.00 5.67 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 5 L 8.29 3.97 0.00 1.54 1.50 0.75 1.10 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 6 G 8.38 3.75 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 0.00 0.00 0.00 7 K 7.94 4.22 0.00 1.84 1.79 0.00 1.56 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.41 7.81 8 C 8.40 4.12 0.00 2.97 3.08 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 9 P 0.00 4.45 0.00 1.96 2.06 0.00 3.65 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 10 N 8.12 5.03 0.00 2.61 2.66 0.00 0.00 7.05 7.69 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 11 P 0.00 4.60 0.00 2.06 1.81 0.00 3.50 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.23 0.00 12 P 0.00 4.33 0.00 2.18 2.08 0.00 3.77 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 1.95 1.96 0.00 13 V 7.77 4.33 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 0.63 0.00 0.00 0.87 0.00 0.00 14 Q 8.52 4.04 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.87 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 15 E 8.95 4.19 0.00 1.95 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 2.34 2.37 0.00 16 N 8.90 4.18 0.00 2.92 2.93 0.00 0.00 6.92 7.45 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 17 F 8.49 4.34 0.00 3.08 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 18 D 8.55 4.40 0.00 2.43 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 0.00 0.00 0.00 19 V 7.56 3.30 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 0.64 0.00 0.00 1.05 0.00 0.00 20 N 8.00 4.40 0.00 2.77 2.86 0.00 0.00 6.95 7.72 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 21 K 7.59 4.29 0.00 0.92 1.52 0.00 0.95 0.00 0.00 1.31 0.00 0.00 2.77 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.21 1.05 7.81 22 Y 7.79 4.89 0.00 3.25 3.40 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 23 P 0.00 4.83 0.00 2.37 2.20 0.00 3.96 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 24 G 9.18 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 25 R 7.84 4.69 0.00 1.67 1.54 0.00 2.55 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.34 0.00 26 W 8.91 5.04 0.00 3.02 2.97 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 27 Y 9.38 5.07 0.00 3.16 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 28 E 9.10 4.56 0.00 2.13 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 2.50 2.58 0.00 29 I 9.46 4.34 2.09 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 1.41 1.01 0.98 0.00 0.00 30 E 8.04 5.39 0.00 1.90 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 2.33 2.35 0.00 31 K 8.47 4.89 0.00 1.45 1.85 0.00 1.71 0.00 0.00 2.27 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.42 7.81 32 I 7.95 3.98 1.75 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.39 0.84 0.00 0.00 33 P 0.00 4.35 0.00 2.08 2.02 0.00 3.69 0.00 0.00 3.87 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 34 T 8.65 3.87 4.21 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 1.08 0.00 0.00 *39 G 7.66 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 40 R 8.31 4.68 0.00 2.11 2.03 0.00 3.14 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 41 C 9.10 4.85 0.00 3.15 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 42 I 7.80 4.43 1.97 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 1.45 0.65 1.03 0.00 0.00 43 Q 9.26 4.98 0.00 1.80 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 44 A 9.26 5.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.91 5.15 0.00 2.51 2.61 0.00 0.00 6.72 7.22 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 46 Y 8.80 5.65 0.00 3.00 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 47 S 9.01 5.04 0.00 3.87 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 48 L 8.52 4.40 0.00 1.57 1.67 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 *50 E 8.66 3.89 0.00 2.21 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 0.00 2.25 2.37 0.00 *52 G 8.24 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 53 K 8.17 4.57 0.00 1.71 1.71 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.77 7.81 54 I 8.65 4.78 1.66 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.77 0.82 0.00 0.00 55 K 9.40 4.57 0.00 1.79 1.70 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.39 7.81 56 V 8.88 5.10 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 1.28 0.00 0.00 0.88 0.00 0.00 57 L 9.04 5.10 0.00 1.77 1.47 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 58 N 9.29 5.41 0.00 2.56 2.63 0.00 0.00 6.34 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 59 Q 8.98 5.18 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.66 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 60 E 9.08 5.02 0.00 2.02 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 2.29 0.00 61 L 8.81 5.12 0.00 1.78 1.62 0.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.82 4.72 0.00 1.91 1.87 0.00 3.13 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 63 A 8.65 3.95 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 64 D 8.01 4.45 0.00 2.78 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 65 G 8.35 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 66 T 8.21 4.26 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 1.33 0.00 0.00 67 V 8.09 4.81 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 0.86 0.00 0.00 0.94 0.00 0.00 68 N 8.89 5.08 0.00 2.89 2.64 0.00 0.00 6.37 6.52 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 69 Q 8.64 5.22 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.50 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 70 I 8.81 4.73 1.74 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.59 0.50 0.00 0.00 71 E 8.92 5.32 0.00 2.00 1.85 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 2.34 2.32 0.00 72 G 8.83 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 73 E 8.69 5.16 0.00 1.72 1.67 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 2.15 2.17 0.00 74 A 9.07 4.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.60 4.78 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 1.18 0.00 0.00 76 P 0.00 4.59 0.00 1.92 2.00 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.20 0.00 77 V 9.01 3.80 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 0.80 0.00 0.00 1.05 0.00 0.00 78 N 7.50 4.95 0.00 2.79 2.74 0.00 0.00 6.03 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 79 L 8.32 4.33 0.00 1.66 1.75 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.25 4.22 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 81 E 7.91 4.58 0.00 1.94 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 2.26 2.24 0.00 82 P 0.00 4.36 0.00 2.45 2.27 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.05 0.00 83 A 7.98 3.34 0.98 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 84 K 7.97 4.47 0.00 1.74 1.60 0.00 1.82 0.00 0.00 1.52 0.00 0.00 2.74 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.89 1.22 7.81 85 L 8.77 5.28 0.00 1.67 1.43 0.66 0.48 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 86 E 9.22 5.14 0.00 1.92 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 2.32 2.16 0.00 87 V 8.80 4.50 1.92 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 0.12 0.00 0.00 0.67 0.00 0.00 88 K 8.42 4.71 0.00 1.68 1.40 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.22 1.29 7.81 89 F 8.82 4.79 0.00 2.92 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 90 S 7.37 4.62 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 W 8.85 4.44 0.00 3.57 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 92 F 5.46 3.91 0.00 2.32 1.45 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 *94 P 0.00 4.18 0.00 2.10 2.08 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.13 0.00 95 S 8.58 4.52 0.00 3.80 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 96 A 8.56 4.89 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 97 P 0.00 4.68 0.00 1.84 1.86 0.00 3.66 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 2.23 2.09 0.00 98 Y 9.40 4.55 0.00 2.91 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 H 9.10 5.25 0.00 3.33 3.19 0.00 5.68 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 0.00 100 I 8.35 4.18 1.11 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.46 0.57 0.00 0.00 101 L 8.78 4.08 0.00 1.51 1.69 0.75 0.76 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 0.00 102 A 7.71 4.83 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 0.00 103 T 9.18 4.51 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 104 D 7.19 4.58 0.00 2.72 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 0.00 105 Y 7.63 4.22 0.00 3.22 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.68 4.61 0.00 1.93 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 2.25 2.32 0.00 107 N 8.47 5.14 0.00 3.13 3.01 0.00 0.00 6.63 7.48 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 0.00 108 Y 8.63 5.83 0.00 3.14 3.16 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 0.00 109 A 9.27 4.93 0.67 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 0.00 0.00 110 L 9.30 5.12 0.00 1.77 1.56 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.94 4.78 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 -0.07 0.00 0.00 0.60 0.00 0.00 112 Y 9.05 5.44 0.00 3.02 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 0.00 113 S 8.31 4.61 0.00 4.21 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 0.00 114 C 8.42 5.29 0.00 2.58 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 0.00 115 T 8.85 4.93 4.35 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 1.28 0.00 0.00 116 S 8.90 4.69 0.00 4.15 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 0.00 117 I 8.61 4.59 2.18 0.00 0.00 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 1.41 0.84 1.06 0.00 0.00 118 S 8.45 4.01 0.00 4.25 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 0.00 119 Q 8.52 4.26 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 120 S 8.20 4.32 0.00 3.39 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 0.00 121 F 7.87 5.30 0.00 3.32 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 H 8.93 5.40 0.00 3.28 3.36 0.00 5.20 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.95 4.81 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 0.88 0.00 0.00 1.08 0.00 0.00 124 D 8.13 5.11 0.00 2.43 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 0.00 125 F 8.59 4.64 0.00 2.73 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 0.00 0.00 0.00 126 A 7.38 4.97 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 W 9.40 5.38 0.00 3.26 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 0.00 128 I 9.01 4.83 1.96 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.67 1.01 0.00 0.00 129 L 9.39 5.53 0.00 1.43 1.78 0.79 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 130 A 9.41 5.61 1.48 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 0.00 0.00 131 R 8.91 3.89 0.00 1.71 1.82 0.00 2.60 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.45 0.00 132 N 8.12 4.82 0.00 2.90 2.72 0.00 0.00 7.19 7.68 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 0.00 133 V 7.89 3.49 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 -0.17 0.00 0.00 0.78 0.00 0.00 134 A 7.25 4.72 1.13 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 0.00 135 L 8.03 4.97 0.00 1.65 1.58 1.07 1.28 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 0.00 136 P 0.00 4.38 0.00 2.18 1.99 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 137 P 0.00 4.27 0.00 2.15 2.12 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 138 E 8.16 3.93 0.00 2.14 2.20 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 2.36 2.35 0.00 139 T 7.90 3.70 4.33 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 0.88 0.00 0.00 140 V 7.70 3.55 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 1.23 0.00 0.00 0.95 0.00 0.00 141 D 8.31 4.32 0.00 2.83 2.67 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 0.00 142 S 7.78 4.07 0.00 3.93 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 0.00 143 L 8.00 4.08 0.00 1.77 1.68 0.83 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.34 3.96 0.00 1.88 1.83 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.65 7.81 145 N 8.28 4.30 0.00 2.89 2.83 0.00 0.00 6.96 6.89 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 0.00 146 I 7.21 3.63 1.96 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 1.48 0.62 0.84 0.00 0.00 147 L 7.74 3.93 0.00 1.77 1.60 0.89 0.61 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 0.00 148 T 8.11 3.95 4.19 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 1.17 0.00 0.00 149 S 8.08 4.42 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 0.00 150 N 7.87 4.75 0.00 2.66 2.64 0.00 0.00 6.90 6.44 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 0.00 151 N 7.84 4.05 0.00 2.84 2.86 0.00 0.00 6.76 7.14 0.00 0.00 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 I 6.77 4.25 1.83 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.49 0.93 0.00 0.00 153 D 8.51 4.42 0.00 2.55 2.52 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 0.00 154 V 8.16 4.25 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 0.79 0.00 0.00 0.90 0.00 0.00 155 K 8.41 4.01 0.00 1.89 1.86 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.39 7.81 156 K 7.14 4.16 0.00 1.91 1.78 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.36 7.81 *158 T 7.85 4.17 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 1.24 0.00 0.00 159 V 8.20 4.43 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 0.83 0.00 0.00 1.00 0.00 0.00 160 T 8.57 4.14 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 1.31 0.00 0.00 161 D 8.84 4.51 0.00 2.83 2.61 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 0.00 162 Q 8.66 4.53 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.65 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 163 V 7.93 3.61 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.92 0.00 0.00 164 N 8.39 4.77 0.00 2.92 2.78 0.00 0.00 6.86 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 0.00 165 C 7.39 5.05 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 0.00 166 P 0.00 4.46 0.00 2.20 2.07 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 167 K 8.45 4.18 0.00 1.73 1.77 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.44 7.81 168 L 8.47 4.38 0.00 1.80 1.60 1.03 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.