NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 34 S 4.3781 8.3349 116.7876 58.2063 65.1353 173.8336 35 S 4.0984 7.6141 116.4552 57.5469 62.6591 174.4665 36 G 3.9109 7.7616 112.1259 47.7568 0.0000 175.6698 37 R 4.1680 7.6388 114.8453 57.5085 30.2252 176.9516 38 F 5.2706 8.7140 117.7508 56.8360 40.3420 177.0420 39 G 3.8070 7.3493 109.6207 47.1521 0.0000 174.4372 40 A 4.6541 8.4164 120.3925 52.4039 19.7738 176.7882 41 R 4.3034 7.5305 117.9972 56.7459 33.1914 177.2853 42 Y 3.7963 8.2443 116.7097 57.2867 36.9498 171.2756 43 G 4.0707 7.7193 104.1744 44.6186 0.0000 173.6697 44 R 3.5243 8.3446 112.6225 59.9075 30.3806 179.2896 45 V 3.5168 8.4073 119.8333 66.7673 32.5568 177.2081 46 S 4.1384 8.2181 114.3926 61.5976 62.6979 176.3365 47 R 4.6103 7.8474 115.8817 56.9179 29.6838 178.2781 48 R 3.9875 8.2213 121.0970 59.6793 30.2941 178.3477 49 R 3.8961 8.0523 117.8908 59.0622 29.9779 179.0571 50 V 3.5170 7.4931 116.7272 65.9947 31.4408 177.6994 51 A 3.9629 7.6661 120.3450 55.9487 18.1826 178.8161 52 E 3.9066 8.5902 116.6996 59.1408 29.3929 179.5262 53 I 3.7166 8.6504 119.5319 65.0234 37.5037 178.3450 54 E 4.0132 8.3512 119.0647 59.2080 29.0659 179.1941 55 S 4.0791 8.3371 112.8230 61.5200 62.2556 175.6626 56 E 4.1152 9.0603 122.6619 59.4048 29.1649 178.3001 57 M 4.5907 8.0982 119.0738 58.3643 32.4267 177.6531 58 N 4.6483 8.8131 115.4310 54.4619 39.0075 175.1814 59 E 3.9575 7.1272 118.4843 56.4707 30.2095 175.9270 60 D 4.6745 8.3320 119.6396 54.1288 41.8483 175.8875 61 H 4.9763 8.3131 120.3212 53.6262 31.3274 174.0751 62 A 4.4763 8.6494 124.8236 51.9950 18.7638 176.6862 63 C 4.1449 9.0735 124.2104 59.8575 31.9392 172.8798 64 P 4.2248 0.0000 0.0000 65.6752 30.6553 176.8993 65 N 4.2102 7.0191 116.8832 55.6901 39.7842 175.9380 66 C 4.0848 8.0004 115.3332 58.0827 29.4514 174.3519 67 G 5.0395 8.2339 124.3159 45.5756 0.0000 172.6094 68 E 4.0326 7.4195 121.0811 55.8534 30.6034 177.1113 69 D 5.0590 8.4002 124.6418 53.9006 38.1682 176.0980 70 R 4.7703 7.6841 116.0702 55.7142 33.5669 175.2664 71 V 4.6969 8.2651 120.2640 62.3985 33.0102 174.6348 72 D 5.4228 9.2811 126.9822 52.3701 45.0747 175.0837 73 R 3.7433 8.7218 121.7305 56.0325 30.7269 176.0804 74 Q 4.3508 10.1932 123.9081 54.5194 29.7091 175.4856 75 G 4.1260 7.5736 105.9069 43.3368 0.0000 172.7285 76 T 3.4334 8.0950 116.1928 65.3704 68.8457 174.7187 77 G 4.7942 8.5042 113.0325 47.1994 0.0000 173.8612 *78 I 4.1827 7.6450 117.0864 59.1721 37.5396 175.0319 79 W 5.0649 7.9432 121.3900 54.8939 32.8293 173.9531 80 Q 4.9587 9.3709 123.3734 54.6984 32.7847 173.0961 81 C 5.1611 9.0506 126.8864 58.2238 32.4526 174.2772 82 S 4.3279 9.1423 120.8250 59.9673 62.4106 173.8689 83 Y 4.6479 7.8288 120.8184 59.0983 39.5904 175.6152 84 C 4.1895 7.9380 111.6907 57.3226 30.3571 174.6471 85 D 4.5496 8.6351 119.2144 54.6979 39.2935 172.8566 86 Y 4.3633 7.6572 121.1605 58.4289 39.8080 174.8873 87 K 4.9353 8.5869 128.8930 54.8150 33.7244 174.9678 88 F 4.9920 8.9784 122.7192 55.6360 42.1889 172.8980 89 T 4.8347 8.8165 108.8725 60.4891 69.9912 174.6904 90 G 4.2971 8.0886 113.1349 45.2841 0.0000 171.9500 91 G 4.1276 8.7252 112.1511 44.9158 0.0000 174.6945 92 S 4.0134 8.4224 114.9239 60.6143 62.6249 175.2838 93 Y 4.9651 7.8542 115.9552 57.6644 40.4920 175.3915 94 K 4.5370 8.0187 117.9145 53.6999 35.2095 174.8613 95 P 3.1389 0.0000 0.0000 63.3515 31.7396 175.7350 96 E 4.7889 7.5129 118.6240 54.1349 33.2675 174.9944 97 T 4.6532 8.2006 113.9485 59.1938 72.2694 173.5175 98 P 4.2839 0.0000 0.0000 65.9111 31.7921 178.5176 99 G 3.9320 8.2517 103.7944 48.0748 0.0000 175.3624 100 G 3.8701 8.1823 108.8787 47.5450 0.0000 175.6548 101 K 3.8536 8.2971 120.4178 59.5002 32.0066 179.5861 102 T 3.9337 8.0066 116.1264 66.5248 68.1494 176.5766 103 V 3.5146 7.0358 119.1972 66.2679 31.5748 177.0498 104 R 4.1155 7.3610 115.7819 59.5715 31.7516 178.2815 105 R 3.9514 8.5676 110.6277 58.7313 29.1262 177.0917 106 S 4.2593 8.7874 120.9484 58.4665 63.1159 174.5117 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 34 S 8.33 4.38 0.00 3.83 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.61 4.10 0.00 4.02 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.76 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.64 4.17 0.00 1.87 1.97 0.00 2.84 0.00 0.00 3.04 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.96 0.00 38 F 8.71 5.27 0.00 3.40 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.35 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 0.00 0.00 0.00 40 A 8.42 4.65 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 41 R 7.53 4.30 0.00 0.67 0.72 0.00 2.89 0.00 0.00 3.03 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.44 0.00 42 Y 8.24 3.80 0.00 3.05 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 43 G 7.72 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 44 R 8.34 3.52 0.00 1.90 1.85 0.00 3.18 0.00 0.00 3.28 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 45 V 8.41 3.52 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 1.07 0.00 0.00 0.94 0.00 0.00 46 S 8.22 4.14 0.00 4.09 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 47 R 7.85 4.61 0.00 2.37 2.51 0.00 2.98 0.00 0.00 3.34 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.74 0.00 48 R 8.22 3.99 0.00 1.98 2.09 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 49 R 8.05 3.90 0.00 1.89 1.93 0.00 3.17 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 50 V 7.49 3.52 2.38 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 1.12 0.00 0.00 1.12 0.00 0.00 51 A 7.67 3.96 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 52 E 8.59 3.91 0.00 2.17 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 53 I 8.65 3.72 1.78 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.75 0.48 0.00 0.00 54 E 8.35 4.01 0.00 2.07 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 2.31 2.46 0.00 55 S 8.34 4.08 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.06 4.12 0.00 2.07 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 0.00 2.37 2.35 0.00 57 M 8.10 4.59 0.00 2.25 2.44 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.02 2.61 0.00 58 N 8.81 4.65 0.00 2.72 2.90 0.00 0.00 7.05 7.54 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 59 E 7.13 3.96 0.00 1.87 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 2.37 2.58 0.00 60 D 8.33 4.67 0.00 2.54 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 61 H 8.31 4.98 0.00 3.24 3.12 0.00 5.62 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 62 A 8.65 4.48 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 63 C 9.07 4.14 0.00 3.20 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 64 P 0.00 4.22 0.00 1.81 1.87 0.00 3.73 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 0.97 1.84 0.00 65 N 7.02 4.21 0.00 1.80 2.60 0.00 0.00 7.26 7.53 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 66 C 8.00 4.08 0.00 3.28 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 67 G 8.23 5.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 7.42 4.03 0.00 1.91 1.82 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 1.94 2.23 0.00 69 D 8.40 5.06 0.00 2.55 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 70 R 7.68 4.77 0.00 1.82 1.97 0.00 3.16 0.00 0.00 3.47 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 71 V 8.27 4.70 2.32 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 1.18 0.00 0.00 1.26 0.00 0.00 72 D 9.28 5.42 0.00 2.63 2.55 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 0.00 73 R 8.72 3.74 0.00 0.77 1.47 0.00 2.88 0.00 0.00 2.93 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 74 Q 10.19 4.35 0.00 1.73 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00 75 G 7.57 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 76 T 8.10 3.43 4.12 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 1.07 0.00 0.00 77 G 8.50 4.79 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 0.00 0.00 0.00 0.00 0.00 0.00 *78 I 7.65 4.18 1.87 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 1.41 0.57 0.91 0.00 0.00 79 W 7.94 5.06 0.00 1.80 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 80 Q 9.37 4.96 0.00 1.94 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 81 C 9.05 5.16 0.00 3.35 3.02 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 82 S 9.14 4.33 0.00 4.10 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.83 4.65 0.00 2.92 3.07 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 84 C 7.94 4.19 0.00 3.03 3.02 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 85 D 8.64 4.55 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 86 Y 7.66 4.36 0.00 3.11 3.09 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 87 K 8.59 4.94 0.00 1.75 1.61 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.21 1.31 7.81 88 F 8.98 4.99 0.00 2.93 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 0.00 0.00 0.00 0.00 89 T 8.82 4.83 4.32 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 1.24 0.00 0.00 90 G 8.09 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 0.00 0.00 0.00 0.00 91 G 8.73 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 92 S 8.42 4.01 0.00 2.88 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 93 Y 7.85 4.97 0.00 3.19 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 94 K 8.02 4.54 0.00 1.89 1.55 0.00 1.75 0.00 0.00 1.95 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.64 1.51 7.81 95 P 0.00 3.14 0.00 1.79 0.49 0.00 3.02 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.25 0.00 96 E 7.51 4.79 0.00 1.82 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 2.14 2.17 0.00 97 T 8.20 4.65 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 98 P 0.00 4.28 0.00 2.05 2.19 0.00 3.72 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 2.06 2.21 0.00 99 G 8.25 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 0.00 0.00 0.00 100 G 8.18 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 0.00 101 K 8.30 3.85 0.00 2.00 1.86 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.19 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.64 7.81 102 T 8.01 3.93 4.42 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 1.21 0.00 0.00 103 V 7.04 3.51 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 0.76 0.00 0.00 0.98 0.00 0.00 104 R 7.36 4.12 0.00 2.00 2.00 0.00 3.37 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 105 R 8.57 3.95 0.00 1.91 1.50 0.00 3.19 0.00 0.00 3.27 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 106 S 8.79 4.26 0.00 3.99 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 * Residues marked with a * may have inaccurate shift predictions.