NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6618 8.2076 120.5473 54.4114 43.4024 177.4155 2 Y 4.0461 8.3961 118.3709 59.6321 37.7152 176.8515 3 L 3.6193 7.2758 121.5611 57.2124 42.1286 180.2306 4 R 4.0948 7.8082 117.5212 59.5423 30.0374 178.3295 5 E 3.9431 8.5158 118.1680 59.6432 29.2650 179.2899 6 L 3.9708 8.0900 119.0704 57.9398 41.8672 179.4442 7 L 3.9821 8.6568 120.7669 58.2968 42.0472 178.8875 8 K 3.8969 8.6467 118.6532 59.6577 31.9663 179.2122 9 L 3.9959 7.9906 118.8909 58.0345 41.5599 179.5180 10 E 4.2565 7.9951 117.8910 59.0455 28.8639 179.3352 11 L 3.9866 7.8769 118.9340 57.4697 41.5785 179.5555 12 Q 3.9710 7.8310 117.9065 58.7578 28.7970 178.1396 13 L 3.8310 8.2679 121.6558 58.3729 42.0949 178.8976 14 I 3.9004 8.4517 118.8619 63.8984 37.9283 177.7801 15 K 3.9878 7.7552 120.0277 59.4134 32.1001 178.6837 16 Q 4.0021 8.5060 120.2509 59.2198 28.8194 177.8325 17 Y 4.2234 8.1369 118.1124 60.7059 37.6807 177.9074 18 R 3.9186 7.7167 119.0291 59.4656 30.5106 178.1281 19 E 4.0190 8.1039 117.5796 59.4000 29.5110 179.0937 20 A 4.2244 7.9105 120.2686 55.4429 18.0869 179.7218 21 L 4.0433 8.4745 117.6119 57.7035 41.3650 179.3310 22 E 3.8350 7.8202 118.8775 58.8044 29.4685 177.9456 23 Y 4.4934 6.9255 112.6052 60.9234 38.6007 176.8873 24 V 3.9015 7.9271 117.3835 60.9005 32.9168 175.4503 25 K 3.8416 8.0608 117.1112 56.7020 28.3734 177.0965 26 L 4.5330 7.4356 118.7843 52.9878 43.1802 176.8982 27 P 4.3857 0.0000 0.0000 64.8501 31.1833 178.9243 28 V 3.6217 7.6915 118.1939 64.3589 31.1665 178.0119 29 L 3.8266 7.8689 120.3987 57.6106 41.6373 178.7941 30 A 3.9506 7.6313 119.8261 54.7208 18.9987 178.7963 31 K 3.8177 8.1043 118.3482 59.8275 32.2700 178.6378 32 I 3.5017 7.8949 120.0235 64.5133 36.9641 178.1069 33 L 3.7983 7.1431 118.7306 57.9706 41.4069 179.0305 34 E 4.0249 7.7644 117.6617 59.9114 29.3854 179.1041 35 D 4.1037 7.9244 117.7193 57.5189 41.0043 178.7310 36 E 3.8787 7.9729 118.5900 59.5862 29.5258 178.7981 37 E 3.8382 8.6546 118.6578 59.7612 29.5481 179.3307 38 K 3.4521 8.1036 119.2733 60.0109 32.0601 178.3922 39 H 4.3991 8.1416 116.3392 58.9970 28.3116 177.5246 40 I 3.6922 7.6040 121.0467 64.9720 37.0221 177.6736 41 E 3.9005 8.0702 118.4534 60.1110 29.1509 179.7254 42 W 4.6042 8.4674 118.9931 59.7612 29.4047 178.2927 43 L 4.2855 8.4901 119.2587 57.3147 41.2106 178.4634 44 E 3.9475 9.1590 118.9773 59.9757 29.4766 178.6294 45 T 3.9635 7.9354 114.7553 66.8197 68.6311 175.9698 46 I 3.7833 7.7589 121.1600 64.9329 37.6715 177.5362 47 L 4.7598 8.6431 127.3058 54.7629 41.7045 177.1048 48 G 4.2679 8.5558 115.8665 46.6106 0.0000 172.7144 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 D 8.21 4.66 0.00 2.83 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 2 Y 8.40 4.05 0.00 3.36 3.15 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 3 L 7.28 3.62 0.00 1.27 1.45 0.64 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.81 4.09 0.00 1.95 1.98 0.00 3.26 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 5 E 8.52 3.94 0.00 2.21 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 0.00 2.36 2.55 0.00 6 L 8.09 3.97 0.00 1.81 1.73 1.06 0.42 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 7 L 8.66 3.98 0.00 1.70 1.92 0.93 0.41 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 8 K 8.65 3.90 0.00 2.06 1.87 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.50 7.81 9 L 7.99 4.00 0.00 2.05 1.74 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.00 4.26 0.00 2.02 2.06 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 2.44 2.57 0.00 11 L 7.88 3.99 0.00 2.06 1.77 0.93 0.69 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 12 Q 7.83 3.97 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 13 L 8.27 3.83 0.00 1.92 1.90 0.76 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.45 3.90 2.05 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 1.46 1.23 1.00 0.00 0.00 15 K 7.76 3.99 0.00 1.90 1.94 0.00 1.70 0.00 0.00 1.58 0.00 0.00 3.15 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.45 7.81 16 Q 8.51 4.00 0.00 2.18 1.89 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 2.29 2.37 0.00 17 Y 8.14 4.22 0.00 3.11 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 18 R 7.72 3.92 0.00 2.08 1.97 0.00 3.28 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 19 E 8.10 4.02 0.00 2.27 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 2.33 2.33 0.00 20 A 7.91 4.22 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 21 L 8.47 4.04 0.00 1.90 1.73 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.82 3.84 0.00 1.76 1.17 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 2.01 2.15 0.00 23 Y 6.93 4.49 0.00 3.19 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 24 V 7.93 3.90 2.14 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 0.89 0.00 0.00 1.11 0.00 0.00 25 K 8.06 3.84 0.00 1.94 2.07 0.00 1.97 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 1.37 7.81 26 L 7.44 4.53 0.00 1.72 1.60 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.39 0.00 2.14 2.08 0.00 3.59 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 28 V 7.69 3.62 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 0.97 0.00 0.00 0.91 0.00 0.00 29 L 7.87 3.83 0.00 2.01 1.75 1.11 0.98 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 30 A 7.63 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 31 K 8.10 3.82 0.00 1.98 1.87 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.44 7.81 32 I 7.89 3.50 1.14 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.72 0.62 0.00 0.00 33 L 7.14 3.80 0.00 1.84 1.63 0.90 0.96 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 34 E 7.76 4.02 0.00 2.21 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 2.25 2.29 0.00 35 D 7.92 4.10 0.00 2.71 2.49 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 36 E 7.97 3.88 0.00 2.11 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 0.00 2.45 2.60 0.00 37 E 8.65 3.84 0.00 2.18 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 2.29 2.31 0.00 38 K 8.10 3.45 0.00 1.40 1.55 0.00 0.61 0.00 0.00 0.94 0.00 0.00 2.54 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.30 0.57 7.81 39 H 8.14 4.40 0.00 3.37 3.46 0.00 5.71 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 40 I 7.60 3.69 2.03 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 1.54 0.88 0.95 0.00 0.00 41 E 8.07 3.90 0.00 2.22 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 2.32 2.38 0.00 42 W 8.47 4.60 0.00 3.51 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 43 L 8.49 4.29 0.00 1.80 1.71 0.98 0.74 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 44 E 9.16 3.95 0.00 2.01 2.22 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 2.35 2.38 0.00 45 T 7.94 3.96 4.29 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 1.23 0.00 0.00 46 I 7.76 3.78 1.90 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 1.60 0.44 0.88 0.00 0.00 47 L 8.64 4.76 0.00 1.57 1.26 0.83 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.56 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 0.00 0.00 0.00