# 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 A C C 78.62 3.97 10.59 16.13 112.84 -138.12 -85.01 133.76 99.92 0.08 0.01 99.84 0.10 0.02 0.00 0.00 0.00 0.03 0.01 1 V C C 106.97 3.04 8.17 13.16 117.45 -144.64 -100.39 130.95 96.63 3.18 0.20 95.65 1.20 0.20 0.11 0.04 0.00 1.32 1.48 2 P C C 101.82 2.42 7.86 12.18 113.65 -110.00 -68.06 146.20 95.10 3.22 1.68 88.31 4.44 2.48 0.59 0.88 0.00 2.20 1.09 3 F C C 166.68 1.77 7.35 10.89 114.32 -127.11 -90.09 135.01 89.04 6.67 4.29 76.23 8.45 4.05 1.87 2.34 0.00 4.03 3.03 4 R C C 175.03 1.89 7.61 11.30 116.51 -137.78 -98.73 134.42 84.70 9.36 5.94 69.26 10.45 4.58 2.93 3.10 0.00 6.02 3.65 5 R C C 174.04 1.87 8.04 11.65 115.84 -147.55 -96.55 134.69 84.40 8.65 6.96 65.98 12.97 5.01 4.69 2.55 0.01 5.27 3.53 6 T C C 85.97 4.21 7.60 13.73 117.74 -146.00 -98.54 144.16 87.95 5.61 6.44 71.04 13.82 2.83 5.62 1.35 0.00 2.97 2.36 7 S C C 61.26 2.69 9.32 13.55 118.13 -118.67 -80.24 156.95 86.27 3.36 10.36 74.97 8.85 1.81 10.47 0.92 0.00 1.55 1.43 8 K H H 158.01 1.20 9.93 11.89 93.35 -111.45 -61.84 -35.28 18.31 0.40 81.29 6.54 4.92 8.24 76.37 3.54 0.04 0.20 0.15 9 M H H 125.78 1.19 10.65 11.96 93.33 53.68 -66.57 -38.42 17.17 0.55 82.28 5.89 3.51 8.94 77.04 4.06 0.05 0.34 0.16 10 K H H 110.65 2.74 10.27 14.34 94.18 50.21 -68.75 -37.55 13.96 0.88 85.16 6.95 2.77 5.78 78.62 4.99 0.04 0.65 0.20 11 K H H 114.81 2.98 10.59 15.04 92.88 55.11 -65.38 -39.76 12.68 0.68 86.65 6.17 2.22 5.36 81.41 4.17 0.03 0.47 0.16 12 R H H 158.97 1.30 12.02 13.35 93.21 51.35 -67.84 -34.74 18.93 0.73 80.33 7.07 2.84 9.76 75.40 4.18 0.06 0.48 0.21 13 L H H 106.39 2.40 11.25 14.57 94.57 54.00 -71.15 -31.92 28.85 0.96 70.19 11.99 5.04 12.69 65.79 3.57 0.06 0.51 0.37 14 R H H 139.96 3.72 10.26 15.52 98.62 62.01 -75.11 -21.04 45.72 2.07 52.21 24.71 8.16 13.27 48.66 3.29 0.05 0.98 0.89 15 R C C 150.07 2.75 10.60 14.69 101.72 63.35 -78.86 10.14 61.65 3.05 35.30 40.81 8.15 12.08 32.10 3.98 0.02 1.48 1.38 16 T C C 84.83 3.58 9.92 15.07 103.19 67.63 -84.86 -13.74 68.05 1.89 30.06 40.96 11.09 15.49 23.27 7.32 0.01 0.93 0.93 17 H C C 138.81 2.67 10.09 13.94 100.99 65.22 -83.36 -8.20 69.16 1.69 29.15 30.81 16.46 22.16 17.49 11.38 0.03 0.80 0.88 18 F C C 143.33 3.17 9.86 14.61 105.36 74.00 -88.28 50.97 72.73 2.48 24.78 32.93 19.85 20.49 12.58 11.67 0.03 1.28 1.18 19 K C C 144.89 2.60 10.64 14.77 111.75 83.61 -93.67 120.69 76.84 6.59 16.57 50.99 12.47 13.23 8.15 8.64 0.01 4.02 2.48 20 L C C 99.65 6.73 8.76 17.02 115.01 -154.83 -93.26 131.15 84.75 9.12 6.14 69.13 9.94 5.24 3.22 3.00 0.00 6.00 3.47 21 N C C 125.21 1.83 13.07 15.81 113.70 -148.46 -97.29 123.57 87.33 9.65 3.02 70.27 12.75 3.74 1.52 1.55 0.00 5.80 4.36 22 V C C 81.82 7.81 8.98 18.23 116.86 -151.55 -99.50 129.37 95.30 4.14 0.56 72.60 21.84 1.24 0.22 0.31 0.00 2.34 1.46 23 P C C 96.03 3.44 12.63 17.52 111.59 -109.16 -68.73 143.15 96.45 2.38 1.17 54.36 14.36 27.83 0.17 1.06 0.00 1.74 0.47 24 G C C 44.98 4.53 14.24 19.68 114.69 11.61 95.44 -4.65 90.74 8.22 1.04 42.87 19.11 28.78 0.09 1.20 0.00 7.27 0.68 25 M C C 94.31 9.73 11.81 22.46 121.01 -78.99 -103.26 139.42 54.91 44.86 0.23 50.52 3.16 0.37 0.04 0.19 0.00 44.54 1.18 26 T E E 55.04 7.98 15.58 25.19 128.80 -173.76 -126.34 149.46 8.97 90.97 0.06 8.16 0.78 0.08 0.02 0.04 0.00 89.92 1.00 27 E E E 121.95 4.42 17.18 22.98 115.30 -111.90 -82.19 135.49 4.75 95.22 0.03 4.51 0.21 0.01 0.03 0.01 0.00 85.04 10.19 28 C C C 16.18 17.48 8.01 25.50 109.22 -116.10 -71.68 125.02 93.82 6.16 0.02 94.13 0.45 0.06 0.00 0.01 0.00 4.89 0.45 29 P C T 107.64 1.79 15.71 17.76 92.75 -143.97 -67.03 -25.14 99.64 0.14 0.23 1.20 8.38 90.05 0.00 0.25 0.00 0.10 0.03 30 S C T 80.44 2.50 13.62 16.97 99.40 44.30 -82.99 -36.59 99.75 0.04 0.20 0.09 3.50 96.24 0.00 0.14 0.00 0.02 0.01 31 C C T 65.61 4.95 12.22 18.79 103.40 19.78 -108.94 -14.37 99.74 0.08 0.18 0.41 4.72 94.64 0.00 0.16 0.00 0.04 0.02 32 G C C 46.39 4.15 13.33 19.21 95.50 -121.57 80.12 6.35 99.17 0.77 0.06 87.04 9.55 2.57 0.01 0.05 0.00 0.42 0.36 33 E C C 90.08 4.78 14.94 21.47 119.26 136.12 -79.16 147.36 96.38 3.61 0.01 94.24 2.54 0.05 0.00 0.01 0.00 2.85 0.31 34 M E E 94.73 8.21 16.20 25.54 114.31 -110.20 -78.75 136.17 2.41 97.59 0.00 2.39 0.09 0.00 0.00 0.00 0.00 94.71 2.80 35 K E E 55.48 13.10 13.89 27.93 133.96 174.38 -136.29 155.08 3.17 96.83 0.01 3.18 0.11 0.00 0.00 0.00 0.00 95.76 0.94 36 L E E 68.63 7.06 18.37 26.40 117.33 -104.06 -74.19 151.13 44.14 55.54 0.32 40.20 2.47 0.70 0.03 0.38 0.00 54.91 1.30 37 S C T 49.32 11.46 15.96 27.75 102.99 -94.42 -61.36 141.47 95.44 2.62 1.94 5.29 15.84 73.73 0.06 2.54 0.00 2.18 0.36 38 H C T 107.52 8.71 18.21 27.12 96.46 28.39 32.15 10.05 95.91 2.16 1.92 6.49 14.95 73.67 0.06 2.63 0.00 1.95 0.24 39 R C C 99.30 8.79 19.18 28.55 126.59 98.64 -112.73 148.11 63.07 35.93 1.00 36.72 24.52 3.51 0.14 1.09 0.00 29.51 4.50 40 V E B 47.04 12.78 16.70 30.32 120.54 -134.01 -106.66 137.74 16.51 83.40 0.10 14.34 1.12 0.07 0.07 0.04 0.00 34.88 49.47 41 C C C 18.04 15.19 12.93 29.41 111.03 -114.00 -74.15 135.95 78.01 21.92 0.07 78.39 0.97 0.10 0.03 0.03 0.00 17.30 3.18 42 K C T 143.13 3.91 16.35 21.74 92.12 -136.25 -65.14 -28.07 98.33 0.98 0.69 0.50 3.83 94.19 0.02 0.64 0.00 0.67 0.15 43 A C T 80.64 2.19 17.07 19.31 96.49 49.88 -77.37 -34.81 99.32 0.16 0.52 0.09 1.72 97.68 0.01 0.40 0.00 0.08 0.03 44 C C T 54.12 7.51 14.75 23.71 102.85 22.98 -108.29 -13.80 99.40 0.22 0.37 0.81 4.22 94.39 0.01 0.38 0.00 0.16 0.04 45 G C C 20.75 9.76 15.20 26.70 98.35 -119.16 83.82 6.68 85.55 14.30 0.15 78.35 4.92 2.04 0.04 0.10 0.00 13.03 1.52 46 S E E 33.21 8.23 16.80 26.75 126.07 122.69 -111.83 152.92 9.40 90.54 0.05 8.76 0.46 0.04 0.03 0.03 0.00 82.13 8.55 47 Y E E 58.19 15.14 11.83 27.33 124.21 -168.74 -134.78 129.10 6.00 93.79 0.21 3.48 1.62 0.89 0.09 0.14 0.00 84.05 9.73 48 N C T 119.75 3.10 14.87 19.25 92.68 -11.53 53.61 41.44 99.57 0.29 0.15 0.36 2.95 96.32 0.00 0.13 0.00 0.21 0.03 49 G C T 62.67 1.38 13.44 15.11 93.87 -52.68 79.56 3.97 99.77 0.10 0.13 0.43 3.92 95.43 0.00 0.13 0.00 0.07 0.01 50 K E E 126.69 2.67 12.55 16.96 122.11 110.09 -107.01 142.37 8.65 91.26 0.09 4.26 4.18 0.75 0.03 0.07 0.00 85.24 5.47 51 D E E 104.23 3.29 12.99 18.04 110.74 -109.24 -74.34 128.59 13.71 86.23 0.06 12.40 0.87 0.11 0.03 0.04 0.00 82.96 3.59 52 I C C 64.98 11.93 8.49 20.72 108.06 -162.70 -96.71 90.85 85.61 14.21 0.18 84.67 0.91 0.38 0.05 0.09 0.00 12.71 1.18 53 N C C 117.16 2.87 15.57 19.18 105.52 -127.45 -81.78 86.12 99.78 0.21 0.01 99.60 0.16 0.08 0.00 0.00 0.00 0.14 0.02