# 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 114.32 5.38 10.95 18.17 118.49 -164.88 -100.99 135.75 99.79 0.19 0.03 99.70 0.13 0.04 0.01 0.00 0.00 0.09 0.03 1 G C C 45.80 3.69 10.21 15.59 119.94 -148.75 -95.80 166.50 90.28 2.99 6.73 85.54 1.31 4.21 4.07 1.79 0.00 1.44 1.63 2 H C C 144.21 2.97 9.02 13.52 101.91 -110.50 -79.89 -8.39 69.08 3.24 27.68 39.85 13.24 16.28 15.60 11.73 0.03 1.68 1.60 3 S C C 78.58 2.96 10.06 14.54 104.97 87.63 -83.12 31.81 62.22 2.22 35.55 31.68 14.10 16.72 20.36 14.94 0.04 1.12 1.06 4 N C C 101.79 3.97 10.71 16.25 103.87 63.95 -88.26 29.12 58.33 2.71 38.96 35.91 11.17 11.20 24.06 15.08 0.03 1.42 1.15 5 V C C 84.01 5.99 10.38 17.88 100.70 99.57 -82.30 -18.66 51.57 4.98 43.45 31.08 10.68 10.90 28.58 13.93 0.08 2.79 1.94 6 W C C 155.24 5.43 11.49 18.38 103.03 61.77 -80.58 -4.72 55.31 5.59 39.10 26.86 11.68 17.81 24.42 13.60 0.17 3.27 2.18 7 N C C 110.02 3.82 12.78 17.94 100.66 46.76 -88.09 14.70 67.45 4.58 27.97 33.28 13.55 21.27 16.99 10.34 0.08 2.49 2.01 8 S C C 63.24 6.58 11.49 19.62 105.55 111.75 -87.97 32.54 84.42 4.51 11.07 52.84 22.97 8.54 6.65 4.24 0.01 1.95 2.80 9 H C C 103.37 7.14 11.28 19.98 119.06 69.84 -99.05 135.87 96.11 3.03 0.87 65.10 29.90 1.21 0.43 0.38 0.00 1.21 1.77 10 P C C 75.75 5.95 12.38 19.99 112.19 -104.69 -66.00 149.21 91.97 2.11 5.92 79.52 5.77 6.42 1.49 4.49 0.00 1.11 1.19 11 K C T 143.13 4.30 11.16 17.19 99.29 -121.15 -71.26 -18.37 88.35 1.73 9.92 29.56 24.93 33.77 1.44 8.50 0.00 0.82 0.97 12 N C C 127.03 1.61 13.55 15.52 103.31 48.23 -92.42 30.66 86.79 2.92 10.29 34.04 21.50 31.38 1.55 8.66 0.01 1.34 1.54 13 Y C C 116.12 8.81 8.86 18.59 112.22 127.23 -95.64 114.05 88.46 4.40 7.14 54.97 23.96 8.62 1.93 5.09 0.00 1.64 3.78 14 G C C 37.62 3.81 13.37 18.50 129.65 128.80 151.35 -175.53 94.16 2.89 2.95 54.06 33.21 6.24 0.83 1.99 0.00 0.94 2.73 15 A C T 94.42 1.57 12.96 15.13 106.90 -50.62 -64.84 125.20 92.13 0.94 6.93 4.57 10.22 76.16 0.61 7.33 0.00 0.57 0.54 16 G C T 53.33 3.34 14.06 18.42 96.36 26.30 81.53 -1.66 93.69 0.62 5.69 6.25 9.13 77.19 0.50 6.26 0.00 0.40 0.27 17 S C C 41.86 10.26 12.33 23.92 109.49 112.48 -81.82 135.93 92.12 4.03 3.85 71.47 15.31 4.21 0.65 3.82 0.00 1.88 2.66 18 R C C 111.53 9.74 16.94 27.10 106.19 91.82 -102.28 21.34 86.95 11.85 1.20 68.99 15.15 2.41 0.38 0.89 0.00 7.05 5.12 19 V E B 71.84 7.05 20.57 28.35 123.04 103.62 -105.11 142.80 40.71 58.96 0.33 34.86 2.31 0.10 0.26 0.06 0.00 10.51 51.90 20 C C C 11.72 19.82 11.44 31.78 110.15 -111.35 -69.10 130.13 92.59 7.32 0.09 93.11 0.78 0.08 0.03 0.03 0.00 3.15 2.83 21 R C T 141.25 4.59 18.93 24.67 93.14 -149.21 -70.65 -27.37 99.13 0.51 0.36 1.75 11.26 86.14 0.04 0.29 0.00 0.31 0.21 22 V C T 74.10 8.10 16.49 25.42 99.94 43.70 -85.28 -41.79 99.68 0.12 0.19 0.12 3.85 95.81 0.01 0.11 0.00 0.05 0.05 23 C C T 60.32 6.79 14.85 23.10 102.88 20.50 -108.41 -13.31 99.66 0.12 0.22 0.37 4.60 94.77 0.01 0.15 0.00 0.06 0.04 24 G C C 49.31 3.93 15.49 20.67 95.14 -118.61 79.92 5.35 97.98 1.85 0.17 67.73 24.97 4.97 0.05 0.14 0.00 0.69 1.45 25 N C C 70.00 6.77 14.33 22.98 113.39 132.81 -82.99 132.14 95.67 4.01 0.31 77.06 16.62 1.30 0.09 0.24 0.00 1.31 3.38 26 S C C 69.29 7.60 16.25 25.03 97.76 -146.94 -77.70 -5.32 75.80 20.77 3.43 28.03 26.67 20.16 0.94 2.46 0.07 7.12 14.55 27 H C C 99.69 7.90 18.78 27.08 103.36 73.74 -94.13 8.99 92.86 4.32 2.81 34.27 31.06 27.76 0.58 2.20 0.00 2.13 2.00 28 G C C 14.63 12.66 16.71 30.37 119.49 107.13 -57.92 -22.45 85.35 6.57 8.08 57.38 20.08 7.29 3.83 4.12 0.01 2.96 4.33 29 L C S 47.77 11.91 19.68 32.11 96.62 -109.25 -73.42 -22.86 66.39 20.11 13.50 18.68 38.54 9.44 8.07 4.50 0.53 8.45 11.79 30 I E B 21.55 19.10 13.85 32.80 99.05 62.98 -80.81 -18.92 20.13 53.40 26.47 9.23 5.58 7.26 12.59 12.20 0.54 20.98 31.63 31 R H G 134.42 6.20 16.10 23.67 94.24 89.78 -64.69 -38.21 16.79 4.38 78.83 9.33 2.15 5.87 7.33 70.97 0.01 3.56 0.79 32 K H G 144.65 2.31 16.55 19.49 91.53 53.99 -66.68 -29.11 16.08 0.69 83.22 0.76 1.45 13.82 5.36 77.94 0.03 0.55 0.09 33 Y H G 95.96 9.59 13.73 24.51 96.93 39.93 -99.94 4.76 23.18 0.13 76.69 0.33 1.20 22.24 2.94 73.19 0.00 0.07 0.04 34 G C T 48.58 3.52 19.70 23.39 94.26 -107.66 80.69 12.27 99.54 0.11 0.34 2.39 3.49 93.71 0.05 0.27 0.00 0.06 0.03 35 L C C 27.73 17.98 12.56 30.72 116.72 133.40 -98.27 131.36 89.29 10.48 0.23 82.63 5.84 0.90 0.08 0.17 0.00 5.63 4.75 36 M C S 91.19 7.99 22.62 31.15 102.14 -158.31 -98.95 24.42 88.02 11.89 0.09 40.29 47.69 1.18 0.02 0.08 0.00 8.95 1.80 37 C C C 17.59 17.12 18.57 36.02 134.28 95.81 -130.64 156.80 52.54 47.28 0.17 31.90 21.54 0.45 0.09 0.09 0.00 19.43 26.49 38 C C C 23.93 12.42 20.66 34.00 118.50 -109.72 -75.09 157.08 83.19 16.68 0.13 83.51 1.17 0.03 0.11 0.02 0.00 11.32 3.84 39 R H H 93.41 12.84 17.76 30.90 91.24 -109.64 -58.34 -38.58 1.27 0.00 98.72 0.16 0.15 0.79 98.65 0.24 0.00 0.00 0.00 40 Q H H 102.98 2.91 22.86 25.24 91.57 53.27 -63.88 -40.87 0.52 0.01 99.47 0.04 0.04 0.39 99.24 0.29 0.00 0.00 0.00 41 C H H 27.38 10.45 18.85 30.81 91.95 48.66 -65.13 -42.00 0.30 0.01 99.70 0.04 0.02 0.20 99.37 0.37 0.00 0.00 0.00 42 F H H 14.61 21.50 14.76 36.20 91.74 50.07 -64.10 -43.51 0.23 0.00 99.76 0.03 0.02 0.14 99.61 0.19 0.00 0.00 0.00 43 R H H 108.47 8.34 18.91 27.85 91.49 50.81 -63.89 -41.07 0.84 0.00 99.15 0.08 0.04 0.63 98.93 0.31 0.00 0.00 0.00 44 S H H 65.92 2.08 21.20 21.77 92.11 49.20 -67.26 -39.33 4.09 0.01 95.90 0.15 0.16 3.69 95.55 0.45 0.00 0.00 0.00 45 N H H 48.44 9.80 16.42 27.50 98.03 40.44 -89.74 -19.52 20.55 0.08 79.37 1.29 1.44 17.32 78.88 0.96 0.04 0.02 0.05 46 A H H 13.72 17.36 10.64 28.25 92.64 76.81 -62.45 -40.91 19.97 0.65 79.38 4.70 2.44 12.82 57.04 22.19 0.13 0.34 0.34 47 K H H 142.53 2.27 15.60 18.73 91.81 52.75 -64.45 -38.61 12.49 0.33 87.18 1.88 1.07 8.71 49.63 38.33 0.05 0.25 0.09 48 D H H 114.63 1.38 15.59 16.53 91.51 54.05 -68.71 -26.42 16.11 0.21 83.68 1.24 1.06 12.48 48.49 36.45 0.07 0.13 0.08 49 I H T 74.91 8.84 11.51 21.64 95.40 48.29 -92.16 0.00 42.05 0.18 57.77 1.11 2.38 38.22 25.62 32.38 0.06 0.08 0.15 50 G C T 52.88 2.12 16.58 18.55 97.80 -101.61 86.60 9.30 99.32 0.07 0.62 2.69 2.87 93.91 0.33 0.14 0.00 0.04 0.01 51 F C C 76.22 12.25 8.60 21.19 117.92 129.13 -96.02 136.53 87.62 11.82 0.57 79.74 6.67 1.31 0.26 0.30 0.00 9.19 2.52 52 I C C 109.47 3.77 13.22 18.63 118.45 -159.32 -107.03 133.64 77.75 21.64 0.60 71.90 4.59 0.96 0.31 0.30 0.00 18.99 2.94 53 K C C 130.55 5.45 10.51 17.98 115.38 -140.54 -91.30 129.00 74.23 24.90 0.87 67.63 4.31 1.44 0.39 0.46 0.00 23.03 2.73 54 Y C C 145.27 5.08 8.73 15.66 114.69 -158.60 -100.53 127.96 83.84 15.49 0.68 82.21 0.89 0.95 0.25 0.28 0.00 13.23 2.17 55 R C C 176.01 2.08 11.46 14.97 111.20 -149.37 -95.02 109.73 99.76 0.23 0.01 99.71 0.09 0.03 0.00 0.00 0.00 0.16 0.01