# 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 110.70 6.56 16.96 24.15 107.07 41.33 -87.72 87.88 99.94 0.06 0.00 99.88 0.07 0.01 0.00 0.00 0.00 0.03 0.00 1 A C C 32.64 12.94 14.20 27.87 118.82 -137.78 -90.90 143.74 72.39 27.57 0.04 71.45 0.57 0.12 0.00 0.02 0.00 27.40 0.43 2 K E E 93.22 9.33 20.63 30.26 123.04 -152.66 -111.35 138.52 15.09 84.89 0.02 13.05 1.33 0.07 0.00 0.02 0.00 85.30 0.22 3 L E E 9.11 23.38 16.05 39.56 124.40 -160.79 -118.84 137.60 1.02 98.98 0.00 0.95 0.03 0.00 0.00 0.00 0.00 98.99 0.02 4 Q E E 53.33 10.17 26.78 37.66 118.84 -153.83 -107.20 131.04 0.28 99.72 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 5 I E E 2.87 26.51 18.02 45.67 120.08 -161.66 -112.51 128.37 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 6 T E E 33.56 10.10 26.77 37.75 124.07 -170.35 -119.86 136.43 0.28 99.72 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.72 0.01 7 L E E 19.53 21.73 16.03 37.75 111.15 -124.51 -78.39 127.12 5.98 93.99 0.03 5.73 0.26 0.02 0.01 0.01 0.00 93.83 0.14 8 T C E 60.70 8.31 21.38 30.23 101.32 -176.33 -95.90 -26.89 63.13 35.61 1.26 33.30 27.88 2.41 0.35 0.74 0.00 34.51 0.81 9 R C S 112.38 5.96 20.62 27.18 134.01 10.11 -142.37 154.03 82.27 13.48 4.25 19.92 57.24 5.75 1.31 2.21 0.02 12.10 1.45 10 S C C 59.35 9.47 17.69 27.54 115.38 -104.06 -76.93 143.47 90.64 4.72 4.64 79.06 8.40 3.35 1.31 3.15 0.00 3.76 0.95 11 V C C 39.68 16.92 12.92 29.56 99.38 -150.28 -91.50 2.17 82.37 5.56 12.07 64.43 8.88 8.21 2.73 9.69 0.00 2.83 3.21 12 I C T 103.26 6.73 14.46 22.95 111.62 119.39 -69.75 130.84 88.00 3.49 8.51 18.25 16.84 52.94 1.47 6.87 0.01 1.93 1.68 13 G C T 64.52 0.86 16.92 16.21 95.85 16.80 81.96 0.14 94.59 0.83 4.58 16.81 21.41 56.13 0.58 4.25 0.00 0.46 0.36 14 R C S 65.09 15.59 7.87 22.68 121.89 121.50 -87.58 148.00 99.13 0.72 0.15 40.09 58.84 0.30 0.07 0.05 0.00 0.18 0.47 15 P C C 71.18 3.15 16.54 20.19 115.12 -101.87 -64.34 151.31 99.37 0.34 0.28 97.91 1.36 0.19 0.20 0.03 0.00 0.09 0.22 16 E H H 135.00 3.36 13.30 18.57 91.37 -110.16 -57.11 -38.88 2.76 0.00 97.23 0.49 0.40 1.56 96.69 0.86 0.00 0.00 0.00 17 T H H 86.50 2.58 17.59 20.37 91.66 53.68 -63.89 -39.44 2.23 0.01 97.77 0.30 0.18 1.51 96.88 1.11 0.00 0.00 0.00 18 Q H H 34.08 15.63 14.95 30.78 92.15 49.18 -66.33 -39.96 1.16 0.02 98.83 0.37 0.11 0.59 98.05 0.85 0.00 0.01 0.00 19 R H H 76.73 14.41 16.44 30.61 91.53 52.56 -62.33 -42.19 0.27 0.00 99.72 0.08 0.03 0.10 99.72 0.07 0.00 0.00 0.00 20 K H H 118.41 2.13 23.93 24.55 91.83 50.27 -64.32 -41.44 0.17 0.00 99.83 0.04 0.01 0.08 99.84 0.03 0.00 0.00 0.00 21 T H H 28.48 11.62 20.53 33.11 91.94 49.95 -64.09 -43.13 0.15 0.00 99.85 0.02 0.01 0.08 99.86 0.03 0.00 0.00 0.00 22 V H H 2.70 25.77 15.44 41.64 91.36 49.69 -63.40 -43.32 0.18 0.00 99.82 0.02 0.01 0.11 99.77 0.10 0.00 0.00 0.00 23 E H H 107.91 7.07 21.47 29.41 91.51 50.44 -62.88 -40.74 0.52 0.00 99.48 0.03 0.02 0.40 99.25 0.30 0.00 0.00 0.00 24 A H H 66.93 3.93 21.81 26.04 90.70 54.38 -64.64 -30.55 4.81 0.00 95.18 0.06 0.09 4.94 94.48 0.42 0.00 0.00 0.00 25 L C T 22.91 19.06 15.81 35.08 92.17 52.94 -83.56 -8.18 65.29 0.02 34.69 0.24 0.95 64.20 33.75 0.84 0.00 0.01 0.02 26 G C T 35.74 5.08 24.21 30.36 97.61 -110.93 85.79 16.79 99.62 0.01 0.37 2.26 1.19 96.29 0.21 0.05 0.00 0.00 0.00 27 L C C 10.67 24.14 9.36 32.81 110.68 155.03 -78.58 122.01 99.07 0.49 0.45 98.08 0.76 0.41 0.18 0.10 0.00 0.15 0.32 28 K C C 146.77 2.20 20.38 22.80 101.10 170.22 -102.61 -18.08 99.27 0.42 0.31 84.57 13.24 1.44 0.11 0.17 0.00 0.18 0.30 29 K C S 116.83 2.39 21.03 23.07 132.00 42.92 -129.34 158.95 89.68 9.55 0.77 14.97 71.35 2.15 0.24 0.35 0.00 1.32 9.61 30 T C T 74.97 9.75 14.79 25.45 111.76 -86.55 -63.14 138.31 98.67 0.68 0.65 0.62 8.26 89.87 0.02 0.62 0.00 0.37 0.24 31 N C T 101.29 6.01 17.86 25.21 93.18 13.99 68.63 21.42 99.37 0.40 0.22 1.46 7.46 90.41 0.01 0.29 0.00 0.32 0.05 32 S C C 41.25 8.45 17.85 27.73 121.94 132.44 -96.62 146.78 69.62 30.27 0.11 57.65 11.86 0.38 0.02 0.14 0.00 27.30 2.64 33 S E E 43.35 16.10 16.02 31.52 133.05 -160.86 -127.48 152.99 14.99 85.00 0.01 14.85 0.25 0.01 0.00 0.01 0.00 84.04 0.84 34 V E E 34.35 14.61 19.21 34.47 126.41 -159.84 -125.75 139.20 3.01 96.99 0.00 2.71 0.11 0.00 0.00 0.00 0.00 97.14 0.03 35 V E E 68.03 11.94 20.29 32.38 117.84 -150.32 -107.60 126.29 0.40 99.60 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.01 36 V E E 32.87 15.38 15.68 31.69 128.70 -175.31 -126.36 144.77 2.06 97.94 0.00 2.00 0.04 0.00 0.00 0.00 0.00 97.87 0.09 37 E E E 116.20 3.67 22.06 25.78 115.08 -105.51 -72.25 144.39 41.73 58.22 0.06 34.46 4.91 0.41 0.01 0.05 0.00 59.86 0.30 38 D C C 54.59 17.37 11.73 28.34 106.95 -109.30 -70.65 118.45 97.69 2.17 0.13 74.04 22.58 1.19 0.02 0.13 0.00 1.78 0.25 39 N C C 61.98 5.16 17.61 24.03 132.65 157.93 -132.87 166.86 99.54 0.19 0.27 90.20 9.19 0.15 0.26 0.03 0.00 0.05 0.13 40 P H H 109.00 1.77 15.73 17.74 91.03 -98.33 -59.86 -35.56 2.50 0.00 97.50 0.14 0.26 1.96 97.20 0.43 0.00 0.00 0.00 41 A H H 64.14 3.33 17.49 21.35 91.82 53.25 -64.48 -40.30 1.39 0.00 98.61 0.09 0.11 1.15 98.21 0.43 0.00 0.00 0.00 42 I H H 11.58 21.29 12.77 33.80 92.43 47.74 -66.63 -41.57 0.37 0.00 99.63 0.04 0.03 0.24 99.38 0.30 0.00 0.00 0.00 43 R H H 96.26 12.05 17.87 29.93 91.34 53.13 -61.86 -41.91 0.11 0.00 99.89 0.01 0.00 0.05 99.88 0.05 0.00 0.00 0.00 44 G H H 36.52 2.14 22.39 22.99 91.34 50.48 -63.06 -41.76 0.21 0.00 99.79 0.02 0.01 0.13 99.79 0.05 0.00 0.00 0.00 45 Q H H 42.23 12.91 19.46 32.83 91.98 50.27 -65.40 -40.62 0.22 0.00 99.78 0.01 0.00 0.15 99.74 0.10 0.00 0.00 0.00 46 I H H 5.78 24.98 14.40 39.42 91.40 51.71 -63.53 -41.64 0.29 0.00 99.71 0.02 0.01 0.22 99.45 0.31 0.00 0.00 0.00 47 N H H 96.86 4.52 20.99 26.35 91.16 53.88 -64.32 -34.61 3.04 0.00 96.96 0.05 0.05 3.19 95.63 1.07 0.00 0.00 0.00 48 K H H 118.33 4.23 20.32 24.93 91.73 52.56 -69.25 -27.70 12.74 0.00 87.26 0.08 0.21 13.72 84.91 1.07 0.00 0.00 0.00 49 V H H 9.26 21.95 12.79 35.16 99.45 41.43 -104.86 7.95 40.45 0.24 59.31 3.03 4.67 32.62 56.83 2.51 0.08 0.07 0.18 50 K H G 105.68 12.18 15.55 28.35 92.06 116.33 -58.26 -34.31 36.92 0.28 62.79 1.33 1.59 33.20 1.33 62.32 0.00 0.18 0.05 51 H H G 139.51 2.38 20.92 23.31 90.25 60.74 -72.67 -15.25 39.71 0.11 60.19 0.31 1.43 37.17 0.57 60.44 0.00 0.07 0.02 52 L H G 39.53 16.05 16.22 32.36 98.21 47.54 -100.23 -7.93 39.33 0.64 60.03 1.04 2.44 34.04 0.54 61.35 0.00 0.53 0.04 53 V E E 9.14 24.35 12.03 36.21 127.21 65.25 -119.28 142.36 6.33 93.60 0.06 4.98 1.38 0.11 0.02 0.04 0.00 93.09 0.39 54 T E E 66.36 5.49 24.89 30.57 120.32 -160.79 -112.22 133.26 1.15 98.84 0.01 1.02 0.05 0.01 0.00 0.00 0.00 98.89 0.03 55 V E E 38.86 20.33 12.22 31.61 122.40 -162.54 -117.06 132.13 1.83 98.17 0.01 1.66 0.08 0.01 0.00 0.00 0.00 98.17 0.08 56 E E E 102.95 4.40 17.90 23.50 124.17 -172.32 -120.60 140.65 9.47 90.49 0.03 8.52 0.58 0.06 0.01 0.02 0.00 90.63 0.18 57 E E E 119.12 7.05 11.36 20.17 114.18 -126.41 -86.11 133.09 28.18 71.75 0.07 27.38 0.52 0.10 0.02 0.04 0.00 71.26 0.68 58 K C C 132.76 4.49 13.76 19.75 114.58 -145.09 -94.47 126.14 99.75 0.25 0.00 99.76 0.05 0.01 0.00 0.00 0.00 0.17 0.01