# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 128.63 3.63 11.64 16.90 115.22 -155.90 -98.86 135.04 99.91 0.08 0.00 99.89 0.04 0.01 0.00 0.00 0.00 0.04 0.01 1 A C C 73.05 4.33 9.81 15.97 116.98 -139.13 -91.70 139.09 93.46 5.92 0.62 91.61 0.70 1.61 0.15 0.30 0.00 4.72 0.91 2 V C C 96.69 4.95 9.95 16.80 116.72 -146.27 -97.80 133.87 83.60 15.37 1.03 64.26 14.31 4.22 0.20 1.02 0.00 14.37 1.61 3 K C C 111.04 7.04 12.45 21.01 118.94 -154.99 -104.37 135.66 62.33 36.95 0.72 51.80 7.82 1.84 0.14 0.67 0.00 36.18 1.55 4 R E E 116.57 8.90 14.81 24.67 116.30 -142.92 -98.30 131.09 42.97 56.87 0.16 36.41 4.92 0.44 0.03 0.13 0.00 57.51 0.57 5 S E E 42.59 9.90 17.32 28.14 126.48 -154.06 -120.05 146.01 13.01 86.96 0.03 11.13 1.25 0.08 0.00 0.02 0.00 87.35 0.17 6 T E E 18.10 17.68 15.91 34.25 127.29 -159.51 -123.30 141.91 2.04 97.95 0.00 1.86 0.06 0.00 0.00 0.00 0.00 98.04 0.02 7 R E E 90.92 9.45 23.47 33.43 119.11 -148.87 -105.92 130.77 0.36 99.64 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.00 8 L E E 8.58 22.67 17.36 40.33 123.04 -167.38 -115.53 135.94 0.24 99.76 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 9 G E E 15.07 9.47 22.99 33.67 127.13 -163.76 -119.82 148.20 0.97 99.03 0.00 0.88 0.03 0.00 0.00 0.00 0.00 99.03 0.05 10 C E E 10.77 17.77 12.86 31.75 110.87 -118.85 -81.73 128.42 25.27 74.71 0.02 24.90 0.48 0.03 0.00 0.01 0.00 73.80 0.77 11 N C T 92.81 5.15 17.77 24.05 94.67 -154.28 -71.56 -27.66 99.26 0.29 0.45 0.42 9.05 89.84 0.01 0.41 0.00 0.21 0.05 12 D C T 100.54 2.85 15.99 19.48 97.97 47.20 -77.86 -37.80 99.47 0.08 0.45 0.16 5.17 94.21 0.01 0.39 0.00 0.03 0.02 13 C C T 64.05 5.90 12.86 20.27 101.48 22.54 -104.78 -6.27 99.45 0.20 0.35 1.58 7.59 90.28 0.02 0.37 0.00 0.13 0.04 14 R C C 172.86 2.81 14.41 18.71 94.05 -126.83 64.08 24.71 98.42 1.37 0.20 78.10 5.99 14.29 0.04 0.16 0.00 1.12 0.29 15 E C C 97.50 5.46 14.40 21.55 119.42 135.63 -88.99 149.73 85.94 14.02 0.04 78.30 6.25 0.41 0.00 0.04 0.00 14.44 0.57 16 I E E 83.59 9.50 14.71 25.24 119.45 -127.96 -108.24 134.55 4.80 95.19 0.00 4.56 0.17 0.01 0.00 0.00 0.00 94.69 0.57 17 N E E 63.81 11.33 15.64 27.56 123.33 140.35 -129.27 141.15 1.72 98.28 0.00 1.37 0.12 0.01 0.00 0.00 0.00 98.49 0.01 18 Y E E 74.45 12.38 16.28 29.47 128.77 -168.36 -130.41 143.43 0.44 99.56 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.00 19 L E E 82.07 9.49 17.02 27.61 125.04 -163.99 -124.04 137.19 0.54 99.46 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.49 0.01 20 T E E 37.22 12.85 14.86 28.88 129.34 -174.78 -130.57 148.13 4.30 95.70 0.00 4.02 0.10 0.00 0.00 0.00 0.00 95.80 0.07 21 F E E 115.10 6.92 18.16 26.31 121.67 -148.14 -112.90 134.80 20.84 79.14 0.02 18.95 1.38 0.06 0.01 0.01 0.00 78.97 0.62 22 K C C 67.50 12.03 12.84 25.88 125.03 -165.56 -114.43 144.27 52.03 47.84 0.12 48.77 2.83 0.19 0.06 0.08 0.00 44.24 3.84 23 N C C 54.64 6.11 14.23 22.29 113.01 -120.93 -79.58 137.43 79.40 20.40 0.20 77.81 2.18 0.31 0.09 0.10 0.00 14.80 4.71 24 V C T 93.40 6.67 10.70 18.94 93.51 -135.58 -65.04 -25.13 96.93 0.86 2.21 2.71 18.07 76.32 0.26 1.75 0.00 0.49 0.39 25 K C T 162.89 0.87 12.87 12.98 95.59 55.88 -76.39 -21.63 97.71 0.33 1.96 1.59 18.26 78.05 0.20 1.54 0.00 0.17 0.19 26 K C T 137.03 2.89 11.68 15.57 104.58 31.14 -97.03 13.49 95.37 2.02 2.61 11.89 33.59 50.00 0.42 2.13 0.00 1.08 0.89 27 N C C 75.97 5.99 10.54 18.32 107.39 19.13 -112.45 89.29 95.52 4.27 0.22 82.28 12.08 1.34 0.06 0.16 0.00 2.64 1.45 28 P C G 72.02 7.98 10.42 20.06 97.16 -169.02 -65.68 -20.81 64.74 6.28 28.99 27.00 9.70 27.25 2.09 28.48 0.00 4.34 1.14 29 E C G 144.99 1.91 14.95 17.20 95.48 66.53 -75.38 -11.64 61.82 6.70 31.48 18.26 14.56 29.15 2.39 29.40 0.02 5.19 1.06 30 K C C 102.80 7.32 13.91 22.34 100.98 65.65 -88.52 -0.95 55.09 10.44 34.47 30.36 13.66 12.56 3.60 29.98 0.02 8.45 1.38 31 L C C 49.73 15.30 11.62 26.69 108.76 91.50 -89.91 107.41 59.86 31.07 9.07 49.65 6.83 3.44 3.13 5.68 0.02 27.12 4.13 32 A C E 56.33 7.44 17.84 26.00 115.10 145.21 -94.64 128.85 51.71 45.52 2.78 42.33 6.45 2.78 1.08 1.72 0.01 43.87 1.76 33 L E E 64.12 11.95 14.61 27.21 121.08 -158.28 -108.32 139.40 40.31 58.29 1.40 29.97 8.14 1.94 0.43 0.91 0.00 57.79 0.82 34 N E E 79.58 9.30 17.39 27.38 122.44 -158.92 -114.32 134.53 24.76 75.06 0.18 20.33 3.75 0.27 0.05 0.10 0.00 75.26 0.23 35 K E E 70.91 11.94 15.93 28.65 129.07 -169.41 -127.60 147.72 4.40 95.54 0.06 3.68 0.56 0.07 0.01 0.03 0.00 95.54 0.11 36 F E E 86.31 8.16 16.92 26.49 121.70 -140.08 -110.40 139.01 1.31 98.67 0.02 1.25 0.09 0.01 0.02 0.01 0.00 97.17 1.46 37 C C C 17.78 13.76 10.65 26.27 109.59 -126.37 -83.51 121.02 53.15 46.81 0.04 52.40 0.53 0.10 0.01 0.02 0.00 46.33 0.61 38 S C T 74.24 3.42 14.90 19.76 92.77 -153.61 -67.25 -25.88 99.12 0.13 0.76 0.27 2.92 95.96 0.02 0.73 0.00 0.09 0.02 39 R C T 159.68 2.05 13.70 16.38 98.37 48.25 -78.73 -40.31 99.20 0.08 0.72 0.16 2.49 96.61 0.01 0.66 0.00 0.04 0.02 40 C C T 66.31 4.59 11.77 17.97 100.64 24.34 -103.79 -11.31 99.37 0.13 0.50 0.72 2.72 95.93 0.02 0.52 0.00 0.07 0.02 41 R C T 169.81 2.76 12.59 17.22 94.01 -128.04 63.53 26.94 99.15 0.57 0.28 40.49 5.40 53.25 0.07 0.16 0.00 0.56 0.07 42 K E E 107.33 3.51 15.09 20.12 126.36 124.03 -106.56 153.96 47.62 52.36 0.02 41.38 4.41 0.27 0.00 0.02 0.00 53.43 0.49 43 V E E 76.71 9.38 13.92 24.47 115.51 -112.84 -85.07 134.37 0.89 99.11 0.00 0.83 0.02 0.00 0.00 0.00 0.00 99.05 0.10 44 V E E 35.89 12.55 14.69 28.81 127.48 -172.40 -127.49 144.05 0.45 99.55 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.53 0.01 45 V E E 73.25 7.25 19.69 27.78 115.63 -123.02 -86.79 131.69 2.12 97.87 0.00 2.21 0.03 0.00 0.00 0.00 0.00 97.74 0.03 46 H E E 33.71 18.19 13.15 31.26 127.00 -172.05 -119.40 146.84 13.53 86.45 0.01 12.89 0.32 0.02 0.00 0.01 0.00 86.69 0.08 47 K E E 107.62 5.65 20.59 27.19 122.25 -151.08 -113.68 137.52 12.85 87.14 0.02 12.10 0.33 0.03 0.00 0.01 0.00 87.39 0.15 48 E E E 61.88 15.30 13.01 28.33 120.35 -142.53 -100.26 136.70 9.84 90.14 0.02 9.48 0.22 0.02 0.00 0.01 0.00 89.95 0.30 49 V E E 66.11 7.09 15.69 24.42 125.39 -171.54 -121.53 143.71 9.95 90.00 0.04 9.02 0.67 0.08 0.01 0.03 0.00 89.61 0.57 50 K E E 126.08 5.68 11.60 19.22 117.91 -136.60 -100.03 133.95 21.77 78.15 0.09 19.36 1.67 0.21 0.02 0.06 0.00 77.69 1.00 51 R C C 144.00 5.01 9.66 16.62 115.22 -139.85 -91.97 135.68 69.70 30.20 0.11 67.89 0.92 0.26 0.02 0.07 0.00 30.18 0.66 52 K C C 159.69 1.85 12.20 15.23 109.57 -122.50 -79.14 126.79 99.89 0.11 0.01 99.78 0.11 0.03 0.00 0.00 0.00 0.07 0.00