# 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 103.36 6.14 10.66 18.35 115.14 -158.57 -94.13 134.54 99.76 0.17 0.07 99.64 0.14 0.07 0.04 0.01 0.00 0.08 0.03 1 A C C 67.72 3.08 10.49 14.97 112.93 -136.18 -82.02 153.56 75.41 1.48 23.11 70.69 1.27 4.45 20.11 2.08 0.00 0.63 0.77 2 H H H 133.53 3.42 8.82 13.84 97.50 -115.89 -70.06 -29.70 38.90 1.37 59.73 22.00 8.01 11.13 47.54 9.99 0.04 0.70 0.59 3 E H H 132.31 2.23 10.69 14.09 96.02 60.86 -69.66 -29.62 28.72 0.96 70.32 13.44 5.75 10.72 55.68 13.43 0.05 0.57 0.35 4 S H H 67.00 3.20 11.02 15.56 98.01 56.46 -77.95 -20.61 27.38 1.22 71.40 14.49 5.38 8.76 56.34 13.82 0.04 0.75 0.41 5 V H H 77.06 5.42 10.48 17.55 96.97 62.03 -75.28 -31.11 28.33 2.05 69.63 15.14 6.27 9.57 56.82 10.15 0.10 1.24 0.71 6 W H H 148.69 5.11 11.24 17.86 98.10 58.92 -74.64 -24.66 37.53 3.12 59.35 16.31 8.10 16.05 47.40 8.83 0.25 1.78 1.28 7 N C H 110.35 3.20 12.07 16.45 99.33 53.77 -85.83 3.42 59.19 2.47 38.34 23.31 11.87 25.46 30.48 6.41 0.11 1.20 1.16 8 S C C 70.65 4.75 10.66 17.01 104.81 93.62 -86.83 36.58 79.66 3.26 17.08 42.73 22.54 14.71 12.41 4.34 0.03 1.34 1.89 9 R C C 141.51 4.12 10.63 16.64 118.52 105.48 -100.56 136.80 95.57 2.95 1.49 53.19 40.79 1.88 0.86 0.54 0.00 1.10 1.64 10 P C C 90.56 4.15 11.31 17.19 112.82 -103.19 -65.90 146.45 91.44 2.54 6.02 73.92 9.18 8.12 1.92 4.03 0.00 1.38 1.44 11 R C C 152.33 5.19 9.48 16.33 111.66 -127.09 -82.67 131.39 89.67 2.73 7.59 49.30 23.92 16.32 1.68 5.86 0.00 1.19 1.72 12 T C C 108.32 1.80 11.77 14.42 107.05 -161.92 -95.68 36.50 88.97 3.92 7.12 42.66 28.51 17.81 1.53 5.43 0.01 1.68 2.36 13 Y C C 149.46 4.46 8.79 15.08 116.41 87.64 -102.00 134.32 90.25 4.59 5.15 50.98 28.37 10.40 1.51 3.48 0.00 1.80 3.46 14 G C C 41.79 3.32 11.22 15.99 126.92 90.63 118.25 176.93 91.97 3.06 4.97 49.94 32.55 8.88 1.11 3.87 0.00 1.12 2.53 15 K C T 171.92 1.06 12.13 13.32 106.00 -51.06 -66.98 119.77 86.84 1.06 12.10 5.59 10.79 68.70 0.99 12.69 0.00 0.62 0.61 16 G C T 53.58 3.12 12.89 17.13 97.24 29.06 78.61 -0.53 87.97 0.79 11.24 7.05 9.78 69.37 0.90 12.03 0.00 0.48 0.38 17 S C C 46.23 9.43 11.43 22.24 107.29 111.18 -81.63 95.33 88.83 3.57 7.61 67.10 14.63 5.66 1.21 7.48 0.00 1.70 2.22 18 R C C 114.80 8.67 16.28 25.60 106.66 110.90 -102.78 26.61 86.66 11.22 2.12 69.58 12.94 3.22 0.72 1.52 0.00 6.49 5.52 19 A E B 49.48 8.03 19.00 27.75 125.13 104.41 -107.38 147.88 44.11 55.43 0.46 37.68 2.61 0.15 0.33 0.09 0.00 9.67 49.47 20 C C C 14.17 18.48 11.31 30.25 111.31 -109.81 -70.39 132.06 93.25 6.65 0.10 92.92 1.04 0.11 0.04 0.03 0.00 2.76 3.10 21 R C T 149.89 3.81 18.82 23.65 93.13 -145.86 -71.30 -24.43 99.43 0.41 0.16 1.83 32.04 65.63 0.02 0.13 0.00 0.22 0.13 22 V C T 74.01 7.52 16.31 24.77 101.51 41.61 -91.23 -37.23 99.48 0.38 0.14 0.51 24.38 74.70 0.01 0.10 0.00 0.18 0.12 23 C C T 47.75 8.97 13.25 23.59 117.24 20.00 -124.08 143.56 97.49 2.19 0.31 6.42 42.97 48.28 0.04 0.26 0.00 1.12 0.92 24 T C C 104.68 2.94 16.50 20.44 95.08 -128.45 -29.48 1.52 97.06 2.69 0.25 53.18 40.65 3.28 0.06 0.19 0.00 1.09 1.54 25 H C C 94.98 6.56 14.88 23.03 115.89 112.47 -90.41 129.31 92.83 6.04 1.13 58.47 30.37 3.49 0.42 0.67 0.00 1.90 4.68 26 Q C C 96.53 10.35 15.61 26.44 98.91 -151.11 -79.11 0.39 65.33 23.55 11.12 32.45 18.35 13.12 6.28 4.10 0.33 5.98 19.40 27 A C C 45.52 9.26 17.55 27.53 97.48 84.54 -80.73 -12.77 75.27 2.83 21.90 33.07 17.97 25.15 11.88 8.92 0.04 1.36 1.60 28 G C H 17.94 9.33 17.71 28.56 103.88 83.08 -60.93 -66.34 56.82 2.57 40.61 24.90 14.27 19.50 25.26 13.38 0.07 1.20 1.43 29 L H H 44.51 11.75 17.65 30.16 94.76 31.23 -68.57 -35.13 38.72 7.68 53.60 11.61 11.77 17.75 33.73 16.10 1.51 4.55 2.97 30 I H H 31.48 15.37 13.83 29.58 94.78 55.68 -70.81 -33.82 18.58 28.49 52.93 9.78 5.19 7.06 37.16 13.01 1.19 13.16 13.45 31 R H G 140.55 4.57 15.25 21.24 92.82 54.90 -64.75 -39.83 15.82 3.66 80.52 7.99 2.43 6.11 35.89 43.72 0.04 3.21 0.60 32 K H G 147.90 1.93 14.99 17.56 92.66 53.69 -67.67 -31.01 19.31 1.21 79.48 1.86 2.25 15.05 28.44 51.00 0.23 0.90 0.27 33 Y H G 113.50 7.19 12.78 21.39 97.19 39.92 -98.37 5.48 38.26 0.23 61.51 0.84 2.22 36.18 14.35 46.15 0.02 0.12 0.13 34 G C T 54.72 2.10 17.50 19.53 94.86 -105.59 77.70 14.17 99.63 0.05 0.32 2.89 3.32 93.50 0.08 0.16 0.00 0.03 0.02 35 L C C 41.90 14.81 10.90 26.17 115.08 134.72 -96.33 128.08 96.17 3.56 0.27 88.83 6.32 0.94 0.09 0.17 0.00 1.55 2.11 36 N C C 99.63 5.19 20.59 26.54 99.51 -151.60 -96.67 31.56 95.94 3.84 0.22 52.86 42.33 1.32 0.08 0.14 0.00 2.21 1.07 37 I C S 32.82 15.14 16.20 32.12 128.85 101.99 -116.05 152.78 82.68 16.93 0.39 41.43 41.50 0.61 0.26 0.13 0.00 5.08 10.99 38 C C C 27.49 11.19 19.03 31.61 116.50 -105.93 -69.60 153.30 90.88 8.82 0.30 90.21 1.43 0.09 0.25 0.04 0.00 3.57 4.41 39 R H H 101.75 11.47 17.18 29.20 91.72 -116.49 -59.19 -38.76 1.58 0.00 98.41 0.23 0.18 1.00 98.20 0.37 0.00 0.00 0.00 40 Q H H 100.47 2.83 22.18 24.37 91.52 53.10 -64.05 -40.86 0.72 0.00 99.28 0.05 0.05 0.56 98.94 0.40 0.00 0.00 0.00 41 C H H 26.26 9.53 18.42 29.80 91.52 48.96 -64.80 -41.91 0.43 0.00 99.56 0.05 0.03 0.30 99.13 0.48 0.00 0.00 0.00 42 F H H 16.36 20.10 14.82 35.08 91.75 50.59 -63.92 -43.05 0.11 0.00 99.89 0.01 0.01 0.06 99.85 0.07 0.00 0.00 0.00 43 R H H 112.95 7.15 19.14 27.09 91.44 51.19 -63.37 -41.98 0.17 0.00 99.83 0.02 0.01 0.11 99.78 0.07 0.00 0.00 0.00 44 E H H 112.33 1.84 21.53 21.69 91.87 49.04 -65.24 -41.47 0.58 0.00 99.41 0.03 0.02 0.47 99.36 0.11 0.00 0.00 0.00 45 K H H 64.84 9.41 17.40 27.86 92.54 45.97 -68.25 -38.99 1.95 0.01 98.05 0.15 0.12 1.59 97.93 0.21 0.00 0.00 0.00 46 A H H 13.00 15.21 11.63 27.96 91.70 55.20 -62.65 -41.60 3.26 0.03 96.72 0.63 0.29 2.17 95.01 1.86 0.00 0.01 0.01 47 A H H 69.90 2.88 15.45 19.11 91.76 51.55 -64.25 -39.51 4.33 0.03 95.64 0.49 0.26 3.36 91.08 4.77 0.01 0.02 0.01 48 D H H 114.75 1.29 15.64 16.34 91.32 53.22 -68.01 -27.35 12.34 0.04 87.63 0.45 0.45 11.73 84.03 3.28 0.02 0.02 0.02 49 I C T 79.74 7.79 11.45 20.65 95.17 49.18 -91.47 -0.24 60.22 0.07 39.71 0.61 1.56 58.90 35.87 2.95 0.02 0.02 0.06 50 G C T 55.86 1.53 16.22 17.12 97.76 -100.26 86.27 9.46 99.31 0.04 0.64 2.32 2.55 94.57 0.41 0.10 0.00 0.02 0.01 51 F C C 81.92 11.00 8.69 20.19 116.43 123.81 -93.76 131.43 93.45 5.38 1.17 80.60 10.96 1.84 0.63 0.58 0.00 3.39 2.00 52 V C C 90.50 4.40 12.07 18.12 117.98 -155.78 -104.71 135.44 85.36 12.09 2.55 71.32 10.28 3.23 1.15 1.48 0.00 8.27 4.28 53 K C C 133.31 4.79 10.44 17.00 109.23 -144.95 -85.26 102.62 85.14 10.71 4.16 54.09 18.50 12.28 0.94 3.57 0.00 8.22 2.39 54 Y C C 154.14 3.74 9.33 14.79 113.48 4.13 -98.09 123.47 92.73 3.96 3.31 79.31 3.49 10.04 0.67 2.43 0.00 3.07 0.98 55 R C C 166.99 3.15 11.19 16.11 108.73 -145.37 -90.58 108.35 99.78 0.16 0.05 99.55 0.17 0.13 0.01 0.01 0.00 0.10 0.02