# 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 59.00 10.17 17.49 28.27 113.67 -125.43 -71.34 142.92 99.95 0.05 0.00 99.85 0.11 0.01 0.00 0.00 0.00 0.02 0.00 1 R E E 109.91 9.54 19.02 28.91 122.82 -145.47 -110.51 140.14 29.19 70.80 0.02 28.60 0.47 0.04 0.00 0.01 0.00 70.27 0.61 2 L E E 13.85 21.98 14.91 36.79 123.74 -159.13 -114.20 136.97 2.48 97.52 0.00 2.29 0.08 0.00 0.00 0.00 0.00 97.58 0.04 3 K E E 70.75 9.41 26.03 35.86 119.80 -155.21 -108.17 133.08 0.47 99.53 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.57 0.00 4 V E E 3.55 26.25 16.85 44.11 121.41 -162.12 -116.52 130.17 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 5 K E E 69.95 8.76 26.67 36.02 121.88 -167.59 -117.07 131.28 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 6 L E E 27.88 20.82 15.44 36.16 110.64 -122.88 -76.66 126.37 2.45 97.55 0.00 2.30 0.09 0.01 0.00 0.00 0.00 97.54 0.06 7 V E E 66.18 7.82 20.97 29.63 101.09 177.69 -96.60 -28.79 48.06 51.80 0.14 26.04 20.98 1.18 0.02 0.12 0.00 51.19 0.47 8 K C S 95.86 5.58 21.34 27.56 137.22 6.64 -149.40 155.99 80.55 19.19 0.27 15.24 63.22 2.23 0.04 0.18 0.00 18.28 0.80 9 S C C 50.63 11.63 16.53 28.30 116.93 -101.52 -78.27 144.69 96.17 3.39 0.44 84.28 10.85 1.03 0.09 0.34 0.00 2.84 0.56 10 P C C 42.72 15.57 13.90 29.47 97.00 -132.72 -78.03 -6.91 89.47 2.24 8.29 70.05 7.70 9.85 0.89 9.14 0.00 1.12 1.26 11 I C T 102.36 6.98 14.46 23.09 110.16 117.87 -69.58 129.48 91.85 1.06 7.09 9.44 13.51 67.71 0.49 7.67 0.00 0.60 0.58 12 G C T 63.96 0.93 17.13 16.61 95.62 15.75 82.53 0.58 93.67 0.42 5.91 11.75 15.83 64.67 0.36 6.94 0.00 0.25 0.20 13 Y C S 60.42 15.89 7.47 22.47 121.93 120.74 -90.31 147.49 99.15 0.64 0.21 35.90 62.94 0.32 0.09 0.07 0.00 0.14 0.54 14 P C C 74.40 2.82 16.68 19.68 115.43 -101.53 -64.89 151.46 99.60 0.21 0.19 97.98 1.52 0.15 0.12 0.02 0.00 0.05 0.15 15 K H H 149.57 2.79 13.07 17.75 91.21 -109.20 -57.20 -38.58 2.25 0.00 97.74 0.31 0.28 1.35 97.49 0.56 0.00 0.00 0.00 16 D H H 103.13 2.03 17.45 19.56 91.63 53.54 -64.25 -38.65 1.85 0.00 98.15 0.22 0.13 1.26 97.62 0.76 0.00 0.00 0.00 17 Q H H 34.81 15.70 14.83 30.64 92.31 49.40 -66.51 -40.27 0.78 0.01 99.21 0.21 0.07 0.40 98.75 0.56 0.00 0.00 0.00 18 K H H 66.44 14.14 16.80 30.80 91.56 52.13 -62.46 -42.28 0.19 0.00 99.81 0.04 0.01 0.08 99.80 0.06 0.00 0.00 0.00 19 A H H 56.22 2.58 23.80 25.05 91.47 50.44 -63.43 -41.35 0.18 0.00 99.82 0.02 0.01 0.10 99.83 0.04 0.00 0.00 0.00 20 A H H 18.89 12.16 20.16 33.50 91.78 50.54 -63.91 -42.82 0.16 0.00 99.84 0.02 0.01 0.09 99.84 0.04 0.00 0.00 0.00 21 L H H 3.83 25.30 15.75 41.34 91.41 50.05 -63.41 -43.14 0.21 0.00 99.79 0.03 0.01 0.12 99.69 0.14 0.00 0.00 0.00 22 K H H 118.22 6.35 21.76 29.09 91.38 50.69 -62.65 -40.69 0.59 0.00 99.41 0.03 0.02 0.46 99.01 0.48 0.00 0.00 0.00 23 A H H 66.25 4.14 21.75 26.28 90.65 54.91 -64.90 -29.74 5.32 0.00 94.68 0.07 0.10 5.46 93.79 0.58 0.00 0.00 0.00 24 L C T 21.81 19.28 15.64 35.15 92.04 53.81 -83.00 -9.07 70.38 0.02 29.60 0.24 0.84 69.61 28.41 0.87 0.00 0.01 0.02 25 G C T 36.64 4.89 24.10 29.97 97.78 -110.51 86.39 16.77 99.47 0.01 0.52 1.49 0.96 97.18 0.31 0.05 0.00 0.00 0.00 26 L C C 12.08 23.54 9.62 32.48 110.43 152.47 -80.38 119.33 98.92 0.45 0.64 97.86 0.78 0.50 0.29 0.14 0.00 0.13 0.31 27 R C C 162.49 2.46 19.89 22.73 101.68 168.04 -104.82 -15.16 98.99 0.46 0.56 88.22 9.17 1.62 0.21 0.26 0.00 0.19 0.33 28 R C S 133.81 2.46 20.12 22.48 129.78 45.24 -124.28 157.12 88.61 9.67 1.71 32.71 50.67 3.33 0.39 1.12 0.00 1.23 10.54 29 L C T 89.55 9.49 13.88 24.41 111.73 -86.92 -63.44 138.92 98.23 0.62 1.16 0.93 7.09 90.12 0.04 1.24 0.00 0.31 0.27 30 Q C T 118.56 4.97 17.06 23.50 92.43 13.76 67.74 20.56 99.08 0.38 0.54 1.97 5.75 91.16 0.01 0.78 0.00 0.28 0.06 31 Q C C 77.72 7.10 17.31 25.84 120.37 133.79 -89.77 143.32 80.58 19.22 0.20 66.35 13.90 0.49 0.03 0.22 0.00 17.12 1.89 32 E E E 89.16 13.93 14.63 28.55 125.38 -153.90 -116.61 142.95 15.09 84.88 0.03 14.98 0.30 0.02 0.01 0.02 0.00 84.06 0.61 33 R E E 78.30 11.64 18.17 30.64 129.48 -170.87 -130.72 144.62 3.80 96.19 0.01 3.42 0.19 0.01 0.00 0.00 0.00 96.31 0.06 34 V E E 75.81 10.86 18.17 29.67 118.46 -146.36 -107.82 127.21 1.47 98.53 0.00 1.34 0.04 0.00 0.00 0.00 0.00 98.55 0.05 35 L E E 40.55 13.94 14.68 29.57 128.05 -174.89 -125.88 145.75 7.21 92.78 0.01 7.04 0.15 0.01 0.00 0.00 0.00 92.55 0.25 36 E C C 123.35 2.92 21.48 24.28 114.70 -103.64 -70.70 144.86 61.19 38.72 0.09 51.18 6.41 0.61 0.01 0.08 0.00 41.35 0.36 37 D C C 51.55 17.76 10.84 27.77 107.52 -108.56 -71.05 120.94 98.70 1.14 0.16 76.64 20.86 1.32 0.04 0.14 0.00 0.78 0.23 38 T C C 54.85 4.72 17.56 23.45 132.33 162.31 -130.62 163.70 99.51 0.18 0.31 86.91 12.41 0.17 0.30 0.03 0.00 0.04 0.14 39 P H H 108.13 1.91 15.26 17.69 90.73 -101.03 -59.46 -35.81 2.49 0.00 97.51 0.19 0.32 1.86 97.20 0.43 0.00 0.00 0.00 40 A H H 67.22 2.96 17.44 20.82 91.89 53.42 -64.50 -39.72 1.30 0.00 98.70 0.12 0.13 1.01 98.33 0.40 0.01 0.00 0.00 41 I H H 15.04 20.20 13.10 33.03 92.51 47.48 -66.07 -41.49 0.37 0.00 99.63 0.06 0.04 0.23 99.40 0.27 0.00 0.00 0.00 42 R H H 91.21 12.53 17.68 30.17 91.41 52.85 -62.00 -41.97 0.12 0.00 99.88 0.02 0.01 0.07 99.86 0.05 0.00 0.00 0.00 43 G H H 35.20 2.39 22.26 23.44 91.23 50.61 -62.80 -41.76 0.25 0.00 99.75 0.02 0.01 0.15 99.77 0.04 0.00 0.00 0.00 44 N H H 36.76 12.79 19.67 32.98 91.93 50.54 -65.09 -41.30 0.28 0.00 99.72 0.02 0.01 0.18 99.71 0.07 0.00 0.00 0.00 45 V H H 5.91 24.54 14.77 39.29 91.38 51.73 -63.72 -41.42 0.39 0.00 99.61 0.03 0.02 0.28 99.47 0.21 0.00 0.00 0.00 46 E H H 117.92 4.44 21.46 26.77 91.27 52.64 -64.17 -36.81 2.57 0.00 97.43 0.10 0.09 2.28 96.74 0.78 0.00 0.00 0.00 47 K H H 114.78 4.52 20.60 25.56 91.70 52.90 -68.58 -30.39 9.81 0.00 90.18 0.11 0.20 10.19 88.65 0.84 0.00 0.00 0.00 48 V H H 9.19 22.02 13.51 36.00 99.50 41.34 -104.65 8.03 35.47 0.19 64.35 2.04 3.23 29.67 62.61 2.17 0.08 0.06 0.14 49 A H G 50.03 14.17 15.41 29.64 91.98 113.66 -58.16 -33.81 36.10 0.23 63.67 1.29 1.38 33.01 1.79 62.33 0.00 0.14 0.06 50 H H G 138.28 2.45 21.28 23.73 90.39 61.74 -71.63 -16.07 41.39 0.08 58.53 0.29 1.29 39.40 0.65 58.30 0.00 0.04 0.02 51 L H G 39.31 16.08 16.52 32.68 97.47 49.21 -99.73 -6.79 40.81 0.48 58.70 0.93 2.40 35.61 0.55 60.10 0.00 0.37 0.04 52 V E E 9.19 24.56 11.65 35.94 128.66 70.18 -120.81 146.02 10.66 89.28 0.06 7.59 3.40 0.14 0.01 0.04 0.00 88.48 0.34 53 R E E 125.18 4.49 25.07 29.92 119.05 -152.42 -106.84 133.29 1.13 98.86 0.01 0.98 0.05 0.00 0.00 0.00 0.00 98.94 0.02 54 V E E 40.03 21.65 12.28 32.65 123.14 -159.70 -117.91 134.07 0.89 99.11 0.00 0.80 0.03 0.00 0.00 0.00 0.00 99.15 0.02 55 E E E 92.36 4.53 20.30 25.73 128.16 -176.23 -130.66 145.64 1.29 98.71 0.00 1.18 0.04 0.00 0.00 0.00 0.00 98.76 0.02 56 V E E 89.45 7.70 13.68 22.88 114.41 -117.53 -80.90 132.72 5.03 94.96 0.01 4.90 0.13 0.01 0.00 0.00 0.00 94.75 0.21 57 V C C 61.51 10.45 9.00 20.45 119.25 -158.52 -106.96 137.04 74.74 25.19 0.07 74.27 0.36 0.08 0.01 0.03 0.00 24.89 0.36 58 E C C 153.73 1.42 14.56 16.27 109.62 -127.99 -86.78 125.16 99.71 0.28 0.00 99.73 0.05 0.01 0.00 0.00 0.00 0.20 0.01