# 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 104.26 6.48 11.39 19.37 116.60 -158.55 -94.29 134.39 99.79 0.14 0.07 99.68 0.12 0.06 0.04 0.01 0.00 0.06 0.03 1 G C C 39.62 3.99 11.30 16.77 118.59 -138.25 -87.91 167.35 79.36 1.40 19.24 74.98 1.06 3.74 17.76 1.20 0.00 0.56 0.70 2 H H H 134.46 3.55 9.51 14.59 96.96 -93.85 -69.22 -29.18 36.52 1.13 62.35 22.14 7.06 9.56 54.89 5.34 0.02 0.55 0.45 3 L H H 112.49 2.94 10.50 14.92 95.92 62.96 -70.47 -28.96 23.73 0.78 75.49 13.77 4.52 7.25 66.22 7.50 0.02 0.46 0.26 4 D H H 91.85 3.37 11.94 16.64 97.00 58.79 -79.77 -18.04 19.29 0.83 79.89 12.65 3.37 4.98 69.95 8.27 0.02 0.53 0.24 5 Q H H 91.74 5.45 11.41 18.53 101.71 76.46 -80.77 -3.52 15.60 0.85 83.55 9.64 2.87 4.78 75.67 6.22 0.02 0.56 0.24 6 W H H 132.52 5.82 12.69 19.95 96.91 69.55 -71.85 -27.63 15.36 0.93 83.71 8.65 2.89 5.54 76.26 5.74 0.04 0.61 0.27 7 R H H 128.41 4.95 13.82 19.97 98.02 55.20 -77.00 -20.20 19.21 0.91 79.88 10.32 3.49 7.32 72.63 5.34 0.04 0.57 0.30 8 S H H 55.14 6.37 12.73 20.65 98.57 77.70 -73.80 -27.10 23.27 0.93 75.81 11.47 4.67 9.25 67.38 6.29 0.06 0.52 0.35 9 R H H 131.68 5.87 13.48 20.59 97.97 65.91 -75.28 -23.06 26.92 1.23 71.85 12.19 6.03 11.04 61.19 8.28 0.10 0.68 0.48 10 Q H H 97.41 6.35 13.29 20.92 100.15 65.54 -79.73 -4.35 35.72 1.91 62.37 19.65 6.26 11.91 52.34 7.96 0.06 1.11 0.71 11 K H H 117.26 6.35 12.71 20.36 103.98 72.09 -85.99 16.14 44.49 3.49 52.02 25.79 8.14 13.23 42.05 7.33 0.10 1.80 1.56 12 I C H 102.46 5.75 11.65 18.93 109.84 125.99 -91.92 113.69 58.24 3.26 38.50 24.54 12.60 22.90 30.89 5.71 0.20 1.47 1.69 13 G C T 55.99 2.63 12.97 16.76 105.41 10.75 70.64 4.48 80.26 1.71 18.03 30.70 17.06 33.06 12.92 4.52 0.02 0.74 0.97 14 M C C 122.36 4.23 9.82 15.65 109.86 85.59 -96.25 83.97 86.96 2.96 10.08 44.70 27.25 15.11 5.87 3.69 0.01 1.03 2.36 15 G C S 42.22 3.20 12.24 16.72 126.28 -48.89 111.90 -176.32 90.38 2.49 7.13 39.59 40.07 10.56 1.95 4.77 0.00 0.91 2.16 16 K C T 171.84 1.04 12.61 13.75 106.48 -43.18 -66.80 122.42 84.49 0.85 14.65 3.99 10.14 68.93 1.36 14.55 0.00 0.48 0.55 17 G C T 52.56 3.40 13.64 18.16 97.93 21.13 81.29 -1.18 86.41 0.70 12.89 6.12 9.33 69.35 1.24 13.19 0.00 0.42 0.35 18 A C C 39.83 10.51 11.58 23.47 113.14 122.59 -78.67 134.53 85.50 3.94 10.56 61.84 16.07 6.08 1.99 9.55 0.00 1.80 2.66 19 R C C 112.60 8.98 17.10 26.68 112.10 91.26 -103.21 92.45 85.42 10.71 3.87 64.01 16.29 4.09 1.48 2.52 0.00 5.84 5.76 20 C C C 58.26 8.30 19.98 28.79 127.77 79.79 -114.66 149.94 68.09 30.76 1.15 58.36 6.12 0.66 0.70 0.42 0.00 8.51 25.23 21 C C C 11.91 19.47 12.08 32.03 111.58 -109.26 -72.62 133.47 89.79 9.93 0.28 86.82 2.43 0.27 0.14 0.11 0.00 4.29 5.94 22 V C T 87.75 5.51 19.78 26.23 93.40 -144.10 -69.84 -25.21 97.88 1.38 0.74 4.64 31.97 61.41 0.17 0.46 0.00 0.73 0.63 23 I C T 77.99 8.81 16.84 26.40 99.59 42.97 -85.64 -38.39 98.82 0.69 0.49 1.15 19.06 78.75 0.06 0.32 0.00 0.34 0.32 24 C C T 47.07 9.62 13.97 24.84 106.49 21.76 -110.80 -8.80 96.77 2.37 0.86 5.68 19.90 71.46 0.15 0.60 0.00 1.38 0.84 25 S C C 79.71 4.09 16.46 21.80 96.10 -126.67 72.46 5.82 92.29 6.94 0.78 60.44 26.42 5.37 0.26 0.56 0.00 3.17 3.77 26 N C C 71.72 7.08 14.66 23.35 111.31 123.87 -87.92 121.26 91.89 5.78 2.33 67.16 18.71 5.45 0.98 1.31 0.00 2.54 3.86 27 Q C C 96.29 10.53 14.80 25.90 96.57 -165.15 -80.29 -9.59 67.01 9.32 23.67 36.16 15.31 15.96 14.78 7.79 0.22 3.83 5.94 28 K C C 112.31 6.59 17.77 25.08 95.62 78.60 -67.57 -30.00 58.64 3.20 38.16 25.08 13.62 21.00 24.98 12.10 0.12 1.72 1.38 29 A H H 34.22 7.66 17.09 26.32 95.74 67.17 -66.43 -37.94 45.14 4.99 49.87 23.63 9.33 13.48 34.50 14.25 0.10 3.26 1.45 30 L H H 33.36 13.02 15.47 29.42 94.28 54.56 -68.09 -37.64 25.91 16.47 57.63 14.00 5.69 8.46 42.67 13.08 0.47 12.62 3.01 31 I H H 40.51 13.08 13.61 27.45 94.42 56.33 -68.15 -38.45 15.61 25.21 59.19 9.33 3.11 5.15 47.84 11.40 0.32 17.71 5.14 32 R H H 149.46 2.92 15.44 19.27 93.15 55.12 -65.45 -39.28 15.49 6.05 78.46 6.28 2.61 6.95 46.45 31.47 0.09 5.49 0.68 33 K H H 136.47 2.46 14.64 17.85 92.57 49.65 -69.40 -35.33 22.37 2.53 75.11 4.20 3.07 14.26 41.55 34.14 0.20 2.06 0.51 34 Y H T 101.63 7.70 12.30 21.55 99.36 31.49 -102.83 6.00 48.35 0.66 50.99 3.21 4.91 39.14 23.80 28.09 0.10 0.38 0.37 35 E C T 152.10 1.80 16.98 18.99 94.05 -120.50 59.67 34.60 98.40 0.35 1.25 9.76 6.28 82.61 0.52 0.52 0.00 0.22 0.10 36 L C C 40.95 14.80 11.80 27.09 117.68 141.06 -103.45 133.61 89.09 9.32 1.59 65.33 16.53 7.14 0.49 1.21 0.00 6.25 3.04 37 N C C 91.38 6.05 21.06 27.87 100.60 -142.34 -91.58 48.72 85.96 13.37 0.67 47.63 34.77 4.10 0.19 0.53 0.00 10.98 1.81 38 V C C 21.30 17.24 15.85 33.57 130.04 120.83 -120.96 151.23 67.61 31.90 0.49 48.00 18.83 0.53 0.33 0.20 0.00 15.41 16.70 39 C C C 27.62 10.90 19.57 31.85 117.02 -107.85 -70.70 153.23 89.53 10.26 0.21 89.58 0.92 0.06 0.15 0.03 0.00 6.74 2.51 40 R H H 103.43 11.49 17.18 29.20 91.40 -112.56 -58.85 -38.35 1.44 0.00 98.56 0.19 0.17 0.90 98.45 0.29 0.00 0.00 0.00 41 Q H H 101.04 2.74 22.17 24.25 91.51 53.48 -63.98 -40.58 0.69 0.00 99.31 0.05 0.05 0.53 99.05 0.33 0.00 0.00 0.00 42 C H H 23.69 10.69 18.16 30.59 91.58 48.86 -64.94 -41.84 0.47 0.00 99.52 0.06 0.04 0.32 99.14 0.44 0.00 0.00 0.00 43 F H H 15.75 20.88 14.63 35.60 91.66 50.42 -63.77 -43.23 0.12 0.00 99.88 0.01 0.01 0.07 99.80 0.11 0.00 0.00 0.00 44 R H H 112.41 7.48 19.03 27.22 91.41 51.25 -63.62 -41.29 0.25 0.00 99.75 0.02 0.01 0.18 99.63 0.16 0.00 0.00 0.00 45 E H H 113.00 1.88 21.39 21.63 92.04 48.96 -65.81 -40.22 1.24 0.00 98.76 0.03 0.04 1.16 98.55 0.22 0.00 0.00 0.00 46 N H H 45.01 10.33 16.62 28.13 95.45 42.72 -82.66 -27.80 8.81 0.02 91.18 0.34 0.46 7.83 90.95 0.41 0.01 0.00 0.01 47 A H H 12.29 17.03 11.08 28.68 92.06 67.37 -62.41 -41.45 13.59 0.21 86.20 2.88 1.63 8.96 73.86 12.37 0.07 0.10 0.14 48 E H H 132.19 2.30 15.99 19.07 91.72 52.41 -64.19 -38.79 8.49 0.14 91.37 1.18 0.61 6.08 60.66 31.30 0.03 0.10 0.04 49 H H H 144.35 1.70 16.10 17.61 91.27 53.99 -68.00 -27.75 14.06 0.12 85.81 0.78 0.72 11.64 57.83 28.84 0.06 0.07 0.05 50 I H T 67.64 10.04 11.94 23.19 95.09 47.47 -93.37 0.52 41.80 0.12 58.09 0.73 1.81 39.60 31.74 25.94 0.04 0.05 0.10 51 G C T 53.67 1.81 17.88 19.00 98.05 -100.53 88.63 10.00 99.39 0.05 0.56 2.44 2.59 94.50 0.31 0.12 0.00 0.03 0.01 52 F C C 60.89 14.53 7.89 22.18 120.33 131.72 -93.85 142.96 89.42 10.09 0.49 80.67 7.62 1.12 0.22 0.27 0.00 8.40 1.70 53 T C C 95.25 2.33 15.47 18.65 119.51 -149.30 -110.48 135.36 74.77 24.52 0.71 68.65 5.02 1.10 0.35 0.37 0.00 20.75 3.77 54 K C C 121.22 7.80 10.13 19.44 114.36 -128.20 -83.16 132.33 70.98 27.99 1.03 62.49 5.46 1.94 0.43 0.63 0.00 24.87 4.17 55 L C C 104.63 5.29 9.21 16.19 112.18 -145.53 -91.33 126.13 89.45 9.77 0.78 87.33 0.98 1.42 0.24 0.36 0.00 8.25 1.41 56 R C C 178.46 1.92 12.28 15.39 111.25 -141.34 -91.30 116.40 99.83 0.16 0.01 99.75 0.09 0.04 0.00 0.00 0.00 0.10 0.01