# 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 110.99 6.50 15.12 22.71 110.84 47.25 -89.57 110.82 99.94 0.06 0.00 99.88 0.07 0.01 0.00 0.00 0.00 0.03 0.00 1 K C C 99.26 9.09 15.38 25.25 118.57 -145.50 -97.84 138.64 77.38 22.58 0.04 76.13 0.68 0.17 0.00 0.02 0.00 22.60 0.40 2 T E E 51.70 10.89 18.21 29.86 124.24 -154.10 -113.16 140.45 14.87 85.11 0.02 12.71 1.33 0.07 0.00 0.01 0.00 85.67 0.20 3 I E E 10.19 22.25 16.19 38.76 122.96 -159.48 -116.98 134.75 0.81 99.19 0.00 0.74 0.02 0.00 0.00 0.00 0.00 99.22 0.01 4 K E E 70.63 9.74 26.40 36.58 118.15 -151.57 -105.56 129.90 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 5 V E E 2.99 26.27 17.28 44.60 121.25 -165.58 -115.56 130.64 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 6 T E E 38.97 9.48 26.53 36.79 122.26 -166.77 -116.76 134.74 0.24 99.76 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 7 Q E E 29.40 20.82 15.83 36.41 110.51 -123.48 -78.09 125.93 4.46 95.53 0.01 4.13 0.19 0.01 0.00 0.00 0.00 95.56 0.09 8 T C E 63.45 7.89 21.20 29.72 101.69 175.77 -96.66 -24.87 54.65 44.49 0.86 34.72 17.93 1.95 0.21 0.56 0.00 43.91 0.72 9 K C S 97.05 6.57 19.96 27.28 134.61 13.33 -138.46 150.68 74.51 22.13 3.36 32.47 37.27 5.77 0.90 2.16 0.01 19.87 1.56 10 S C C 50.24 11.73 14.64 26.70 118.38 -118.67 -82.56 149.16 88.12 7.07 4.81 73.50 10.04 4.51 1.34 3.46 0.00 5.84 1.31 11 S C C 53.84 11.36 13.23 25.13 100.04 -145.52 -86.43 0.68 80.16 3.45 16.39 55.71 11.78 11.83 3.01 14.18 0.00 1.81 1.70 12 S C T 74.82 4.17 14.12 19.87 104.72 102.62 -76.02 45.50 81.03 1.20 17.77 15.40 19.43 46.14 2.63 15.06 0.00 0.60 0.75 13 H C T 148.16 2.51 15.74 18.86 97.11 25.81 -28.78 18.97 81.66 1.10 17.24 20.25 19.34 42.18 2.67 14.40 0.00 0.54 0.62 14 R C C 71.37 16.09 8.91 24.06 121.09 119.13 -87.91 148.95 91.54 2.71 5.75 51.78 36.77 2.90 2.99 2.21 0.00 0.68 2.68 15 L C C 79.78 5.46 15.30 22.12 113.66 -101.97 -68.23 148.62 98.05 0.54 1.41 92.37 5.21 0.39 1.34 0.14 0.00 0.15 0.40 16 K H H 150.56 2.21 15.09 18.44 91.59 -112.36 -56.80 -39.39 1.99 0.00 98.01 0.25 0.23 1.23 97.82 0.46 0.00 0.00 0.00 17 N H H 94.85 3.77 17.62 22.25 91.64 52.83 -64.38 -37.84 1.46 0.00 98.53 0.15 0.10 1.04 98.15 0.56 0.00 0.00 0.00 18 H H H 27.88 18.40 15.00 33.06 92.38 48.58 -66.46 -40.70 0.57 0.00 99.43 0.13 0.05 0.30 99.12 0.40 0.00 0.00 0.00 19 K H H 71.31 13.93 17.86 31.50 91.42 52.62 -62.15 -42.30 0.18 0.00 99.82 0.03 0.01 0.09 99.78 0.08 0.00 0.00 0.00 20 L H H 86.59 2.61 24.07 25.31 91.45 50.29 -63.87 -41.73 0.26 0.00 99.73 0.03 0.01 0.17 99.69 0.10 0.00 0.00 0.00 21 C H H 19.78 14.04 20.32 35.03 91.87 50.28 -63.79 -43.48 0.45 0.00 99.55 0.04 0.02 0.32 99.42 0.19 0.00 0.00 0.00 22 L H H 3.44 25.63 16.35 42.22 91.50 49.60 -63.61 -42.90 0.59 0.00 99.40 0.07 0.04 0.41 98.85 0.63 0.00 0.00 0.00 23 Q H H 104.81 6.59 21.86 29.42 91.52 51.12 -63.28 -40.52 1.72 0.00 98.27 0.08 0.06 1.48 96.96 1.41 0.00 0.00 0.00 24 G H H 44.25 4.34 21.61 26.45 90.84 55.57 -66.40 -27.91 10.89 0.01 89.10 0.17 0.24 11.05 87.23 1.29 0.01 0.00 0.00 25 L C T 22.88 19.22 15.55 34.92 92.49 55.28 -83.07 -8.28 73.08 0.06 26.86 0.64 2.03 69.69 25.93 1.62 0.01 0.02 0.06 26 G C T 37.87 4.72 24.27 29.92 97.40 -112.61 84.47 17.32 99.31 0.02 0.67 3.93 1.98 93.57 0.38 0.12 0.00 0.01 0.01 27 L C C 11.43 23.89 9.73 33.02 110.72 155.20 -80.40 121.77 98.81 0.58 0.60 97.96 0.69 0.41 0.25 0.13 0.00 0.17 0.39 28 R C C 160.57 2.52 20.51 23.42 101.09 170.16 -102.26 -17.35 99.23 0.38 0.40 86.13 11.71 1.35 0.15 0.19 0.00 0.13 0.36 29 R C S 131.92 2.44 21.35 23.58 132.08 40.31 -132.27 158.04 91.68 7.75 0.57 23.31 65.41 1.52 0.22 0.26 0.00 1.02 8.27 30 I C T 93.32 10.46 13.86 25.22 111.01 -88.42 -61.55 135.52 98.58 0.97 0.45 0.53 4.73 93.48 0.02 0.40 0.00 0.46 0.38 31 G C T 47.47 4.42 17.94 23.53 94.03 21.60 82.73 -3.38 99.65 0.23 0.12 0.86 4.08 94.71 0.00 0.15 0.00 0.17 0.03 32 H C C 81.41 7.73 17.17 26.31 119.28 126.25 -87.44 145.35 85.85 14.07 0.09 75.72 9.79 0.34 0.01 0.11 0.00 12.35 1.67 33 T E E 64.08 13.47 15.97 29.51 126.86 -152.19 -116.62 142.83 17.23 82.76 0.01 17.40 0.22 0.01 0.00 0.01 0.00 80.70 1.66 34 V E E 33.26 14.98 17.18 32.92 127.81 -169.62 -127.44 143.10 4.11 95.88 0.00 3.87 0.09 0.00 0.00 0.00 0.00 95.98 0.06 35 E E E 102.98 8.73 20.32 30.02 118.41 -145.84 -106.42 128.43 0.77 99.23 0.00 0.71 0.02 0.00 0.00 0.00 0.00 99.25 0.02 36 V E E 26.18 17.52 14.18 31.95 127.73 -176.25 -128.00 142.86 3.74 96.25 0.00 3.72 0.07 0.00 0.00 0.00 0.00 95.99 0.22 37 Q E E 106.81 3.65 21.97 25.54 115.02 -111.03 -74.31 143.01 45.95 53.94 0.11 37.60 6.07 0.65 0.01 0.10 0.00 55.15 0.42 38 D C C 59.38 16.22 11.85 27.52 107.41 -111.33 -72.37 117.73 95.65 4.13 0.22 64.79 28.92 2.13 0.04 0.21 0.00 3.52 0.40 39 T C C 53.25 4.83 16.80 23.01 132.56 152.96 -132.96 163.71 99.13 0.33 0.54 75.93 22.73 0.51 0.41 0.10 0.00 0.10 0.23 40 P H H 110.13 1.72 14.52 16.79 90.77 -102.47 -59.37 -35.36 22.12 0.05 77.83 1.37 2.68 17.54 71.55 6.74 0.05 0.02 0.04 41 S H H 75.39 2.09 16.51 18.67 91.81 53.95 -65.36 -36.62 21.37 0.06 78.56 1.31 1.86 17.85 71.13 7.71 0.06 0.03 0.04 42 N H H 20.58 18.41 11.97 30.01 93.33 47.19 -72.84 -36.05 11.10 0.13 88.78 2.53 1.51 6.90 80.18 8.72 0.03 0.07 0.05 43 R H H 104.22 11.25 16.57 28.09 91.79 58.09 -61.29 -41.94 2.70 0.02 97.28 0.60 0.32 1.60 96.06 1.41 0.00 0.01 0.00 44 G H H 38.10 2.08 21.66 22.28 91.46 50.64 -62.99 -41.25 2.04 0.01 97.95 0.29 0.15 1.40 96.94 1.21 0.00 0.00 0.00 45 M H H 46.19 12.33 19.16 32.09 91.97 50.40 -65.26 -41.12 0.95 0.01 99.04 0.17 0.07 0.58 97.83 1.35 0.00 0.00 0.00 46 I H H 8.24 24.12 14.94 38.90 91.54 51.70 -63.54 -42.00 0.85 0.01 99.14 0.10 0.05 0.57 97.77 1.49 0.00 0.00 0.00 47 N H H 90.85 4.88 21.41 26.91 91.08 53.64 -63.78 -35.50 4.91 0.01 95.08 0.19 0.16 4.59 92.16 2.88 0.01 0.00 0.00 48 K H H 109.00 4.85 20.96 26.06 91.74 52.52 -67.64 -33.55 14.79 0.02 85.19 0.23 0.45 14.87 81.40 3.00 0.02 0.01 0.01 49 V H H 7.45 23.26 14.24 37.55 97.16 45.92 -88.05 -14.43 22.98 0.42 76.60 2.35 2.51 18.14 68.98 7.46 0.14 0.25 0.17 50 Y H G 99.35 15.08 16.39 30.93 91.89 91.62 -59.79 -34.79 14.00 0.35 85.65 1.16 1.06 11.02 12.94 73.48 0.01 0.29 0.05 51 Y H G 161.09 2.47 21.72 24.06 90.92 59.44 -72.14 -17.47 21.92 0.21 77.87 0.57 1.37 20.15 6.17 71.52 0.01 0.16 0.06 52 M H G 49.10 14.86 17.14 32.21 97.92 48.23 -98.85 -6.34 23.50 1.56 74.94 1.34 2.31 20.67 4.78 69.14 0.01 1.63 0.12 53 V E E 9.80 24.61 11.98 36.27 124.18 79.89 -110.60 140.08 5.78 94.08 0.15 4.85 0.96 0.10 0.05 0.07 0.00 93.43 0.53 54 S E E 51.22 6.02 24.34 30.64 125.76 -170.38 -119.90 144.45 1.41 98.58 0.01 1.20 0.08 0.01 0.00 0.00 0.00 98.65 0.05 55 V E E 48.05 18.64 12.34 30.05 120.53 -151.72 -111.96 130.79 3.85 96.13 0.02 3.42 0.24 0.04 0.01 0.01 0.00 96.05 0.24 56 E E E 106.31 4.90 15.16 21.66 122.32 -167.60 -112.97 140.65 24.66 75.30 0.04 24.46 0.34 0.06 0.01 0.02 0.00 74.62 0.49 57 E C C 139.13 3.60 14.31 19.81 110.40 -109.75 -76.06 131.74 99.09 0.91 0.00 99.17 0.05 0.01 0.00 0.00 0.00 0.77 0.01