# 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 P C C 74.14 7.50 12.58 21.43 114.79 -117.49 -70.60 143.30 99.94 0.06 0.00 99.88 0.08 0.01 0.00 0.00 0.00 0.03 0.00 1 V E E 105.36 3.55 12.38 17.87 119.94 -151.34 -109.40 132.02 44.95 54.93 0.12 44.64 0.68 0.14 0.05 0.06 0.00 48.63 5.80 2 I E E 80.66 9.51 9.30 20.08 120.09 -164.77 -112.16 131.24 40.54 59.39 0.07 38.73 1.18 0.12 0.02 0.05 0.00 58.72 1.17 3 K E E 147.95 1.88 15.27 17.85 116.88 -149.64 -99.73 129.99 41.83 58.05 0.11 40.45 1.01 0.14 0.04 0.06 0.00 56.90 1.39 4 V C C 60.58 12.31 7.26 19.60 119.13 -152.45 -100.04 137.57 79.74 20.02 0.23 78.07 1.68 0.23 0.07 0.13 0.00 18.31 1.51 5 R C C 147.56 2.37 11.82 15.32 118.09 -129.05 -85.73 150.62 93.58 5.93 0.49 90.03 3.00 0.84 0.14 0.32 0.00 3.82 1.86 6 E C T 162.40 1.12 10.74 12.34 101.22 -88.10 -60.66 116.27 99.30 0.28 0.42 0.99 7.41 91.02 0.03 0.31 0.00 0.17 0.06 7 N C T 143.60 0.50 12.09 11.26 96.50 17.10 29.56 15.25 99.46 0.15 0.38 1.57 6.84 91.10 0.03 0.33 0.00 0.11 0.03 8 E C S 68.00 8.68 7.14 17.27 118.61 127.12 -87.63 143.09 98.10 1.80 0.10 35.96 62.23 0.24 0.03 0.04 0.00 0.63 0.86 9 P C C 77.54 2.15 15.12 17.22 113.77 -106.23 -66.00 147.51 96.82 2.89 0.29 96.50 0.65 0.12 0.19 0.03 0.00 0.80 1.70 10 F H H 115.43 8.20 10.57 20.01 92.44 -116.43 -59.46 -37.98 2.38 0.00 97.62 0.66 0.34 1.16 97.46 0.38 0.00 0.00 0.00 11 D H H 102.01 1.78 15.58 17.23 91.94 54.99 -64.65 -38.81 0.91 0.00 99.09 0.16 0.07 0.53 98.90 0.33 0.00 0.00 0.00 12 V H H 72.77 2.53 16.50 19.10 91.96 49.49 -65.37 -41.16 0.20 0.00 99.80 0.04 0.01 0.10 99.61 0.24 0.00 0.00 0.00 13 A H H 20.23 10.04 12.95 25.22 91.77 51.43 -62.96 -42.47 0.11 0.00 99.89 0.02 0.01 0.06 99.84 0.08 0.00 0.00 0.00 14 L H H 68.51 6.91 16.00 24.06 91.73 50.12 -63.69 -41.41 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.03 0.00 0.00 0.00 15 R H H 136.25 1.76 18.72 19.43 91.63 50.49 -64.37 -41.60 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 16 R H H 115.66 3.70 18.02 22.20 91.63 49.41 -64.60 -41.62 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 17 F H H 66.31 10.78 15.48 27.18 92.04 49.61 -64.27 -41.53 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 18 K H H 106.64 5.20 17.70 23.69 91.58 50.83 -63.37 -41.27 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 19 R H H 134.30 1.67 19.62 19.76 92.18 49.83 -64.90 -41.73 0.18 0.00 99.82 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 20 S H H 40.92 5.23 16.71 23.37 92.01 49.85 -64.31 -41.60 0.36 0.00 99.64 0.03 0.02 0.21 99.69 0.03 0.00 0.00 0.00 21 C H H 31.63 10.40 12.81 24.82 92.47 49.44 -65.02 -41.40 0.84 0.00 99.16 0.15 0.08 0.48 99.20 0.11 0.00 0.00 0.00 22 E H H 118.46 2.97 15.44 19.30 91.98 49.82 -64.66 -40.66 1.22 0.00 98.77 0.14 0.07 0.84 98.71 0.23 0.00 0.00 0.00 23 K H H 156.20 0.95 16.04 15.78 91.87 50.84 -66.38 -33.61 5.09 0.00 94.90 0.13 0.18 4.69 94.71 0.28 0.00 0.00 0.00 24 A C T 59.22 5.06 12.48 19.16 93.31 51.63 -83.25 -10.11 65.34 0.02 34.64 0.35 1.67 61.79 35.62 0.55 0.00 0.00 0.02 25 G C T 43.62 3.67 15.99 20.63 96.26 -111.03 79.44 12.13 97.71 0.02 2.27 3.68 3.97 89.84 2.33 0.16 0.00 0.00 0.01 26 V H H 49.64 8.30 13.55 23.79 94.53 123.95 -70.09 -36.84 6.09 0.03 93.88 3.80 0.76 1.32 93.68 0.42 0.00 0.01 0.01 27 L H H 67.48 8.31 14.71 24.23 92.56 54.72 -64.19 -41.65 1.31 0.01 98.69 0.32 0.14 0.69 98.39 0.46 0.00 0.00 0.00 28 A H H 55.01 2.78 16.88 19.92 92.14 50.95 -64.26 -40.31 0.54 0.00 99.45 0.13 0.05 0.28 99.12 0.41 0.00 0.00 0.00 29 E H H 96.59 2.96 16.54 19.81 92.34 50.26 -65.72 -40.81 0.43 0.00 99.57 0.08 0.04 0.23 99.33 0.31 0.00 0.00 0.00 30 V H H 52.51 6.50 13.30 21.75 92.37 50.48 -65.21 -41.65 0.81 0.00 99.19 0.13 0.07 0.49 99.03 0.28 0.00 0.00 0.00 31 R H H 122.79 3.48 13.90 18.49 92.41 51.35 -65.05 -39.52 2.27 0.01 97.72 0.38 0.20 1.49 97.43 0.48 0.00 0.00 0.00 32 R H H 144.77 2.01 13.43 15.87 93.10 51.48 -66.89 -38.23 5.49 0.02 94.49 0.76 0.48 3.97 93.71 1.05 0.01 0.01 0.01 33 R H H 145.82 2.49 12.13 15.48 95.01 50.00 -71.34 -35.72 10.03 0.04 89.93 1.06 0.96 7.85 88.27 1.79 0.03 0.01 0.02 34 E H H 132.26 1.94 12.30 14.71 98.67 39.29 -80.61 -29.02 28.31 0.07 71.62 1.40 2.25 24.38 69.33 2.51 0.05 0.03 0.05 35 F C H 132.95 2.90 11.52 15.54 104.00 27.79 -97.86 -14.90 55.56 0.36 44.08 5.32 8.31 40.92 41.89 3.10 0.06 0.13 0.26 36 Y C C 131.82 4.89 9.62 16.22 109.96 49.81 -100.09 67.09 79.76 2.80 17.44 47.23 15.05 17.26 13.20 4.30 0.01 1.22 1.72 37 E C C 112.86 4.37 10.86 16.99 113.19 114.90 -89.26 131.54 87.56 1.67 10.76 64.09 16.75 5.94 9.35 2.10 0.00 0.70 1.07 38 K C C 128.94 3.45 11.67 16.75 114.89 -119.79 -80.21 139.07 85.55 0.43 14.02 69.84 10.58 3.68 14.16 1.36 0.00 0.16 0.24 39 P C C 77.66 4.95 10.91 17.60 106.33 -106.78 -67.17 146.57 61.62 0.39 37.99 43.74 5.64 10.12 37.31 2.83 0.00 0.17 0.18 40 T H H 78.12 3.49 11.79 16.47 101.16 -126.03 -74.91 -33.12 47.43 0.46 52.11 34.16 4.97 7.43 50.44 2.60 0.00 0.19 0.20 41 T H H 75.86 3.01 12.19 16.29 95.49 55.62 -67.31 -39.76 12.50 0.16 87.34 8.23 2.35 2.53 85.45 1.33 0.00 0.07 0.05 42 E H H 110.32 2.47 12.86 16.13 93.16 52.01 -65.74 -40.20 3.81 0.05 96.14 2.07 0.60 1.22 95.34 0.72 0.00 0.02 0.01 43 R H H 138.37 1.96 13.44 15.81 92.24 50.86 -65.36 -40.15 2.26 0.03 97.71 1.14 0.32 0.82 97.20 0.51 0.00 0.01 0.01 44 K H H 119.95 2.08 13.98 16.41 92.02 50.37 -64.81 -40.90 1.36 0.01 98.63 0.62 0.16 0.51 98.42 0.27 0.00 0.01 0.00 45 R H H 140.31 1.87 14.54 16.55 91.98 50.13 -64.63 -40.80 0.91 0.01 99.08 0.35 0.10 0.38 99.00 0.17 0.00 0.00 0.00 46 A H H 60.69 2.18 14.74 17.18 91.97 50.29 -64.26 -41.37 0.84 0.00 99.16 0.26 0.08 0.38 99.13 0.14 0.00 0.00 0.00 47 K H H 121.08 1.84 15.59 17.16 92.12 49.74 -64.84 -40.60 1.00 0.00 99.00 0.26 0.09 0.49 99.01 0.15 0.00 0.00 0.00 48 A H H 53.14 2.46 14.41 17.49 91.89 50.67 -64.07 -41.34 1.19 0.00 98.81 0.29 0.10 0.59 98.85 0.17 0.00 0.00 0.00 49 S H H 56.07 2.05 14.43 16.65 91.94 50.67 -64.12 -40.53 1.96 0.01 98.04 0.52 0.18 0.99 98.04 0.26 0.00 0.00 0.00 50 A H H 55.53 2.13 12.92 15.68 92.05 51.18 -64.56 -40.60 2.73 0.01 97.26 0.79 0.29 1.41 97.02 0.49 0.00 0.01 0.00 51 V H H 88.29 1.81 11.67 14.04 92.46 50.41 -65.43 -40.44 3.39 0.03 96.59 1.11 0.40 1.69 95.90 0.86 0.00 0.01 0.01 52 K H H 144.83 1.10 11.12 12.30 92.61 51.44 -66.42 -37.38 6.86 0.05 93.09 1.91 0.75 3.87 91.70 1.74 0.00 0.02 0.02 53 R H H 176.05 0.87 10.06 10.97 93.39 51.98 -68.38 -31.96 19.85 0.08 80.06 3.39 1.71 14.02 78.95 1.84 0.01 0.03 0.05 54 H H H 151.52 1.08 8.86 10.51 97.16 50.85 -81.39 -11.68 44.66 0.14 55.20 16.03 1.17 25.19 56.26 1.21 0.00 0.05 0.10 55 A C C 78.06 3.00 10.13 14.59 103.57 94.69 -75.83 41.77 99.90 0.01 0.08 99.63 0.09 0.18 0.08 0.00 0.00 0.00 0.00