# 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 35.76 18.04 17.62 35.23 123.64 -164.00 -109.73 138.35 98.43 1.56 0.00 98.30 0.13 0.01 0.00 0.00 0.00 1.55 0.01 1 Q E E 70.75 9.50 23.65 33.56 117.68 -142.87 -99.96 129.87 9.60 90.39 0.01 9.40 0.11 0.01 0.00 0.00 0.00 90.33 0.15 2 V E E 7.15 23.84 17.23 41.46 123.38 -165.52 -117.06 135.09 1.13 98.86 0.00 1.09 0.02 0.00 0.00 0.00 0.00 98.87 0.02 3 I E E 29.74 11.43 25.72 38.49 117.51 -158.91 -111.54 126.51 0.45 99.55 0.00 0.45 0.00 0.00 0.00 0.00 0.00 99.51 0.03 4 L E E 9.73 22.45 16.80 39.93 110.98 -131.73 -78.31 123.56 3.21 96.79 0.01 3.19 0.06 0.00 0.00 0.00 0.00 96.48 0.26 5 L C S 59.11 9.72 21.62 32.24 99.34 176.40 -95.37 -26.75 82.68 16.89 0.43 29.30 51.74 1.34 0.03 0.40 0.00 16.80 0.39 6 D C S 69.14 4.64 23.35 28.15 137.58 13.28 -146.58 161.59 91.18 7.91 0.90 6.57 81.84 3.40 0.07 0.79 0.00 6.59 0.74 7 K C C 121.44 8.23 17.31 26.62 113.97 -92.19 -74.37 134.52 88.14 10.32 1.54 80.17 6.40 1.52 0.31 1.35 0.00 8.42 1.82 8 V E B 29.02 15.81 10.97 27.23 116.93 -165.75 -116.97 124.90 38.02 60.85 1.13 31.18 3.13 0.35 0.82 0.31 0.00 9.43 54.77 9 A C T 83.56 2.74 15.71 19.22 100.59 -113.58 -61.19 -34.36 66.75 1.81 31.43 2.28 6.17 58.65 2.63 28.09 0.05 0.97 1.16 10 N C T 131.95 1.74 16.90 18.63 95.38 26.19 -64.46 -2.36 68.85 0.46 30.69 1.37 4.83 62.67 2.23 28.32 0.01 0.25 0.31 11 L C T 43.56 15.66 12.50 27.85 104.18 48.35 -101.61 -21.90 68.40 0.93 30.67 1.76 5.65 61.19 2.79 27.45 0.02 0.50 0.64 12 G C T 19.71 8.07 17.77 27.37 133.87 -86.80 120.03 -175.43 73.79 23.44 2.78 23.86 13.20 36.63 0.87 1.70 0.02 12.81 10.91 13 S C C 58.39 4.47 20.66 25.26 127.79 -59.18 -108.54 159.82 83.57 15.96 0.48 75.46 6.53 1.20 0.18 0.32 0.00 8.83 7.49 14 L C T 79.06 12.74 13.41 26.50 109.83 -84.66 -60.59 135.05 97.28 2.36 0.36 0.45 2.60 95.05 0.02 0.20 0.00 1.10 0.58 15 G C T 46.14 4.59 18.33 23.91 95.40 20.33 87.42 -4.72 99.57 0.31 0.12 0.72 3.11 95.78 0.00 0.12 0.00 0.23 0.03 16 D C C 66.37 6.91 17.19 25.58 118.18 126.33 -77.68 147.16 96.53 3.45 0.02 90.39 5.96 0.11 0.00 0.01 0.00 3.34 0.18 17 Q E E 101.15 9.49 16.47 27.07 119.44 -129.58 -98.82 135.29 1.48 98.51 0.00 1.51 0.04 0.00 0.00 0.00 0.00 96.93 1.50 18 V E E 27.38 16.10 14.55 31.36 127.56 -172.65 -128.12 141.71 0.47 99.53 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.50 0.04 19 N E E 107.08 3.67 22.35 26.67 111.14 -129.50 -87.98 123.39 4.16 95.84 0.01 3.80 0.16 0.01 0.00 0.00 0.00 95.93 0.09 20 V C C 17.78 21.39 10.09 30.50 124.84 -174.58 -119.51 143.29 52.57 47.32 0.11 51.74 0.86 0.08 0.04 0.05 0.00 46.11 1.12 21 K C C 122.62 2.29 21.43 22.48 115.66 -110.83 -71.00 150.60 94.39 4.12 1.49 92.41 1.62 0.56 1.21 0.20 0.00 3.46 0.53 22 A H H 64.86 9.58 13.32 23.85 92.87 -106.44 -57.94 -38.00 29.47 0.14 70.39 1.19 2.53 26.23 66.44 3.27 0.18 0.06 0.10 23 G H H 41.77 2.27 18.07 19.98 92.56 50.94 -62.52 -37.82 21.87 0.11 78.01 1.59 1.81 18.90 74.47 2.99 0.12 0.05 0.08 24 Y H H 75.23 8.27 16.82 26.45 92.70 52.25 -66.81 -40.17 4.49 0.17 95.34 1.34 0.94 2.70 92.32 2.40 0.16 0.07 0.07 25 A H H 7.56 21.86 11.89 33.42 91.77 52.03 -63.81 -42.15 2.73 0.23 97.03 0.64 0.42 1.98 94.36 1.92 0.49 0.08 0.10 26 R H H 127.14 6.88 17.93 25.72 92.71 47.67 -67.76 -37.59 2.92 0.23 96.85 0.33 0.36 2.55 93.90 1.89 0.80 0.07 0.10 27 N H H 107.37 1.86 19.75 20.62 99.26 34.58 -89.31 -32.51 8.78 0.17 91.05 0.24 0.61 8.86 87.20 1.54 1.37 0.04 0.14 28 F C T 84.89 8.31 18.28 27.52 107.82 22.94 -108.77 -38.24 52.59 0.28 47.12 0.36 2.60 49.18 44.90 1.78 0.79 0.07 0.32 29 L C T 10.36 20.93 15.14 36.37 103.54 30.07 -94.07 -42.30 79.05 2.06 18.89 1.48 12.78 63.82 16.82 1.72 0.72 0.60 2.06 30 V C S 27.81 16.35 14.53 30.71 105.47 38.54 -88.54 -24.83 79.33 7.06 13.61 20.26 43.53 15.83 7.89 4.78 0.91 2.63 4.17 31 P C T 87.50 3.78 16.17 20.99 92.62 62.48 -62.71 -30.04 72.28 2.92 24.80 10.82 12.26 48.34 5.59 19.47 0.13 1.64 1.74 32 Q C T 128.34 2.25 16.83 19.17 94.97 46.37 -87.65 1.96 77.82 0.85 21.32 2.48 9.35 66.11 3.11 17.83 0.03 0.48 0.62 33 G C T 36.85 9.49 14.95 25.17 96.75 -105.87 82.37 9.62 86.91 2.78 10.31 9.57 26.54 50.84 2.28 8.13 0.01 1.86 0.76 34 K C C 95.81 7.68 20.22 28.56 107.65 120.98 -97.15 52.51 63.88 35.22 0.89 50.63 7.63 4.91 0.35 0.51 0.00 33.70 2.26 35 A E E 13.80 22.87 12.94 35.03 130.15 120.31 -119.63 149.18 12.87 87.08 0.06 11.66 0.97 0.08 0.03 0.03 0.00 82.95 4.28 36 V E E 56.88 8.95 24.23 33.75 127.53 -164.78 -127.93 141.55 10.18 89.81 0.01 9.76 0.41 0.02 0.00 0.01 0.00 89.27 0.53 37 P E E 65.14 10.89 21.76 32.54 116.02 -102.42 -66.20 147.34 20.70 79.19 0.11 18.72 1.44 0.18 0.04 0.07 0.00 77.87 1.67 38 A C C 14.73 22.14 11.33 33.10 110.73 -108.33 -71.10 130.49 93.05 6.76 0.19 88.72 4.23 0.28 0.07 0.09 0.00 5.79 0.81 39 T C C 61.97 3.72 20.99 24.49 129.17 -156.66 -114.94 169.16 97.87 1.54 0.60 92.23 5.60 0.25 0.50 0.09 0.00 0.67 0.67 40 K H H 144.90 3.35 14.24 19.39 91.18 -97.84 -58.50 -37.91 3.10 0.01 96.89 0.41 0.57 1.94 96.42 0.65 0.00 0.00 0.00 41 K H H 143.27 1.12 17.44 17.16 92.10 52.51 -64.37 -40.13 2.16 0.01 97.83 0.28 0.21 1.50 97.19 0.81 0.00 0.00 0.00 42 N H H 39.79 11.98 14.19 27.24 92.25 48.36 -66.48 -39.73 1.10 0.01 98.90 0.34 0.12 0.58 98.06 0.88 0.00 0.00 0.00 43 I H H 35.25 14.32 13.84 28.82 91.84 51.72 -63.63 -42.22 0.21 0.00 99.79 0.05 0.01 0.10 99.74 0.10 0.00 0.00 0.00 44 E H H 110.55 1.89 20.16 20.79 91.59 50.59 -63.68 -41.45 0.18 0.00 99.82 0.03 0.01 0.10 99.82 0.05 0.00 0.00 0.00 45 F H H 99.91 3.55 18.87 22.70 91.74 49.87 -64.21 -42.41 0.21 0.00 99.79 0.02 0.01 0.13 99.79 0.04 0.00 0.00 0.00 46 F H H 37.08 13.32 14.71 29.24 92.02 49.54 -64.55 -42.16 0.19 0.00 99.81 0.03 0.01 0.11 99.82 0.03 0.00 0.00 0.00 47 E H H 88.84 5.23 17.18 23.49 91.89 50.83 -63.68 -40.79 0.30 0.00 99.70 0.04 0.01 0.17 99.74 0.04 0.00 0.00 0.00 48 A H H 57.83 1.79 16.32 17.55 91.72 50.97 -63.87 -40.96 0.62 0.00 99.37 0.09 0.03 0.37 99.41 0.09 0.00 0.00 0.00 49 R H H 115.41 4.17 14.04 19.45 92.39 49.96 -66.50 -38.68 1.26 0.00 98.74 0.21 0.08 0.77 98.67 0.26 0.00 0.00 0.00 50 R H H 116.21 6.75 11.57 19.74 92.45 52.34 -65.28 -37.95 3.35 0.01 96.65 0.53 0.24 2.23 96.13 0.86 0.00 0.00 0.00 51 A H H 81.82 1.38 11.78 13.51 92.35 53.49 -67.22 -31.82 17.03 0.03 82.93 1.26 0.83 14.16 82.51 1.20 0.01 0.01 0.02 52 E H H 145.78 1.10 11.52 12.65 94.75 53.55 -76.98 -19.39 45.16 0.09 54.75 8.29 0.79 32.95 56.71 1.17 0.00 0.03 0.06 53 L C C 93.58 6.69 10.07 18.00 99.13 73.56 -76.38 -13.27 99.86 0.04 0.10 99.63 0.12 0.15 0.07 0.00 0.00 0.01 0.01