# 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 K C C 115.18 7.42 18.34 26.21 113.74 -141.76 -86.17 135.98 99.87 0.13 0.00 99.79 0.11 0.01 0.00 0.00 0.00 0.09 0.00 1 T E E 53.09 10.90 17.51 29.17 123.19 -142.70 -113.37 137.31 25.15 74.84 0.01 24.60 0.40 0.03 0.00 0.01 0.00 74.57 0.39 2 I E E 15.47 20.32 15.07 35.76 122.27 -161.55 -114.20 133.06 1.52 98.48 0.00 1.40 0.04 0.00 0.00 0.00 0.00 98.52 0.03 3 K E E 80.88 8.72 25.25 34.34 118.20 -151.75 -105.73 130.12 0.41 99.59 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.63 0.00 4 I E E 5.91 25.21 16.48 42.40 120.94 -165.46 -115.60 130.14 0.29 99.71 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.74 0.00 5 T E E 40.95 9.15 25.63 35.49 121.58 -166.00 -114.88 133.25 0.59 99.41 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.44 0.01 6 Q E E 31.25 20.21 15.52 35.49 110.95 -131.08 -83.14 126.10 7.37 92.60 0.03 6.63 0.52 0.04 0.01 0.01 0.00 92.67 0.12 7 T E E 65.72 7.73 21.02 29.29 102.34 176.47 -98.73 -20.42 48.63 50.47 0.90 35.17 12.03 1.39 0.32 0.48 0.00 49.80 0.82 8 R C C 110.82 6.87 18.77 26.52 132.52 29.91 -134.73 149.85 69.06 27.16 3.78 40.68 25.56 3.93 1.54 2.01 0.00 24.61 1.67 9 S C C 52.42 10.46 15.47 26.50 116.80 -112.07 -79.65 148.11 84.12 10.17 5.71 72.19 8.01 3.78 2.01 3.53 0.00 9.02 1.46 10 A C C 50.17 12.35 13.75 26.49 96.76 -139.74 -80.73 -9.64 73.57 4.57 21.86 45.80 14.47 13.45 3.87 17.95 0.00 2.58 1.87 11 I C T 107.77 5.35 14.49 21.58 109.66 97.12 -76.70 121.98 75.70 2.64 21.66 16.72 18.07 41.58 3.41 17.44 0.02 1.44 1.33 12 G C T 54.41 3.18 16.55 20.35 98.09 20.41 81.45 1.38 81.54 1.62 16.84 25.09 18.72 37.99 2.17 14.45 0.00 0.85 0.73 13 R C C 74.87 15.51 9.27 24.09 120.55 117.98 -86.00 146.46 94.05 3.03 2.92 58.30 32.91 2.17 1.43 1.24 0.00 0.77 3.18 14 L C C 79.47 5.28 15.13 21.77 114.34 -102.42 -68.18 146.86 99.39 0.17 0.44 94.15 5.04 0.18 0.41 0.04 0.00 0.04 0.14 15 P H H 102.76 2.47 14.40 18.06 91.45 -112.99 -56.53 -39.58 2.48 0.00 97.52 0.28 0.23 1.67 97.01 0.80 0.00 0.00 0.00 16 K H H 133.63 2.35 17.32 20.02 91.22 52.43 -64.34 -38.30 1.69 0.00 98.30 0.16 0.11 1.24 97.60 0.89 0.00 0.00 0.00 17 H H H 31.29 17.40 14.35 31.60 92.38 48.22 -66.29 -40.59 0.80 0.01 99.20 0.19 0.07 0.44 98.55 0.74 0.00 0.01 0.00 18 K H H 74.14 13.86 17.02 30.62 91.38 52.40 -61.70 -42.36 0.36 0.00 99.64 0.08 0.03 0.17 99.55 0.16 0.00 0.00 0.00 19 A H H 58.34 2.35 23.35 24.13 91.43 50.37 -63.74 -41.38 0.70 0.00 99.30 0.07 0.03 0.49 99.22 0.18 0.00 0.00 0.00 20 T H H 30.44 11.79 20.30 32.88 91.97 49.93 -64.68 -42.98 0.89 0.01 99.10 0.11 0.06 0.62 98.92 0.28 0.00 0.00 0.00 21 L H H 3.63 25.52 15.43 41.22 91.51 49.71 -63.73 -43.34 0.83 0.01 99.16 0.14 0.07 0.52 98.35 0.91 0.00 0.01 0.00 22 L H H 93.07 7.63 20.91 29.23 91.48 50.92 -63.33 -40.62 1.60 0.01 98.39 0.11 0.07 1.28 96.42 2.10 0.00 0.00 0.00 23 G H H 47.11 3.31 21.36 24.88 90.53 55.75 -65.31 -28.23 9.30 0.01 90.70 0.18 0.25 9.24 88.60 1.72 0.01 0.00 0.00 24 L C T 28.41 17.91 15.65 33.84 92.35 54.77 -84.03 -6.87 71.41 0.05 28.54 0.47 1.60 69.41 26.73 1.72 0.01 0.01 0.05 25 G C T 37.88 4.80 24.03 29.71 97.63 -110.07 85.06 16.12 99.37 0.02 0.61 2.59 1.53 95.44 0.34 0.09 0.00 0.01 0.01 26 L C C 11.62 23.76 9.80 32.99 110.35 153.63 -80.46 120.03 99.14 0.41 0.45 98.38 0.61 0.34 0.19 0.09 0.00 0.12 0.27 27 R C C 158.46 2.81 20.25 23.67 101.49 166.05 -104.15 -14.07 99.42 0.30 0.28 91.24 7.27 0.91 0.10 0.12 0.00 0.10 0.25 28 R C S 132.93 2.51 21.01 23.48 131.58 45.65 -126.24 158.03 91.53 7.94 0.53 24.23 64.71 1.17 0.20 0.23 0.00 0.96 8.50 29 I C T 96.29 9.84 14.04 24.88 111.24 -88.28 -61.74 135.34 98.58 0.94 0.48 0.53 4.56 93.65 0.02 0.43 0.00 0.44 0.36 30 G C T 46.62 4.53 17.68 23.43 94.25 21.86 83.01 -2.51 99.65 0.21 0.13 0.86 3.73 95.05 0.00 0.18 0.00 0.16 0.02 31 H C C 79.54 7.95 16.90 26.35 117.55 130.64 -84.16 142.38 86.10 13.79 0.11 78.70 6.97 0.23 0.01 0.12 0.00 12.86 1.10 32 T E E 62.64 13.77 15.37 29.22 125.37 -152.62 -115.46 140.64 12.74 87.25 0.01 12.78 0.19 0.01 0.00 0.01 0.00 86.12 0.88 33 V E E 40.11 13.20 17.42 31.64 128.11 -171.65 -127.48 142.22 2.35 97.65 0.00 2.16 0.06 0.00 0.00 0.00 0.00 97.73 0.04 34 E E E 102.20 9.93 18.19 29.05 120.15 -148.80 -109.09 130.55 0.71 99.29 0.00 0.66 0.02 0.00 0.00 0.00 0.00 99.30 0.03 35 R E E 73.93 12.92 15.15 28.78 130.02 171.73 -131.31 147.46 5.40 94.59 0.01 5.31 0.10 0.01 0.00 0.00 0.00 94.32 0.25 36 E C C 116.63 3.83 19.90 24.16 115.17 -104.45 -72.42 144.46 63.21 36.63 0.16 48.28 10.82 1.48 0.01 0.16 0.00 38.92 0.34 37 D C C 63.54 15.16 11.48 26.24 106.86 -106.37 -70.44 118.77 98.06 1.74 0.20 66.32 29.52 2.40 0.04 0.21 0.00 1.29 0.23 38 T C C 54.21 5.23 15.43 22.33 129.63 161.64 -128.70 160.29 99.44 0.20 0.35 87.54 11.71 0.18 0.33 0.04 0.00 0.05 0.14 39 P H H 110.54 1.47 14.87 16.40 91.13 -104.72 -59.41 -36.14 3.34 0.00 96.66 0.29 0.46 2.38 96.33 0.53 0.00 0.00 0.00 40 A H H 65.99 2.85 16.41 19.75 91.88 53.38 -64.48 -39.63 1.77 0.00 98.22 0.16 0.16 1.35 97.77 0.55 0.00 0.00 0.00 41 I H H 18.02 19.03 12.30 31.11 92.40 47.91 -66.08 -41.35 0.42 0.00 99.58 0.06 0.03 0.26 99.31 0.33 0.00 0.00 0.00 42 R H H 104.08 10.12 17.27 27.92 91.39 52.80 -62.16 -41.69 0.12 0.00 99.88 0.02 0.01 0.06 99.86 0.06 0.00 0.00 0.00 43 G H H 37.77 2.11 21.42 22.12 91.44 50.36 -63.29 -41.60 0.17 0.00 99.83 0.02 0.01 0.10 99.84 0.04 0.00 0.00 0.00 44 M H H 51.44 12.47 19.14 31.98 91.99 50.00 -65.15 -41.00 0.14 0.00 99.86 0.01 0.00 0.09 99.85 0.05 0.00 0.00 0.00 45 I H H 14.18 22.48 15.64 37.68 91.47 51.33 -63.14 -42.31 0.18 0.00 99.82 0.02 0.01 0.12 99.75 0.11 0.00 0.00 0.00 46 N H H 94.82 4.02 22.00 26.41 91.31 51.46 -63.76 -37.58 1.34 0.00 98.66 0.05 0.03 1.21 98.33 0.37 0.00 0.00 0.00 47 A H H 52.35 5.61 20.54 26.64 91.93 51.52 -66.80 -35.30 5.24 0.00 94.76 0.09 0.13 5.30 93.73 0.73 0.01 0.00 0.00 48 V H H 8.95 22.69 14.57 37.22 95.36 47.69 -85.53 -22.83 10.81 0.07 89.13 0.85 0.89 9.04 84.71 4.42 0.03 0.04 0.02 49 S H G 47.52 14.00 16.18 30.10 91.70 81.34 -60.34 -31.29 14.77 0.12 85.12 0.96 0.79 12.18 23.15 62.80 0.01 0.08 0.03 50 F H G 148.89 2.29 20.98 22.79 90.89 59.49 -72.18 -16.55 27.97 0.10 71.93 0.55 1.19 27.01 10.87 60.25 0.01 0.06 0.05 51 M H G 57.04 13.69 16.35 30.39 98.22 48.76 -99.40 -7.83 33.22 0.85 65.93 1.36 2.41 30.13 8.23 56.90 0.02 0.78 0.17 52 V E E 15.81 23.17 11.09 33.47 121.48 85.91 -105.41 138.03 9.05 90.78 0.17 7.62 1.64 0.15 0.08 0.09 0.00 89.28 1.15 53 K E E 117.53 4.37 21.58 26.83 120.96 -164.87 -114.80 133.82 2.47 97.52 0.02 2.26 0.11 0.02 0.01 0.01 0.00 97.42 0.18 54 V E E 56.27 16.57 11.10 26.99 119.28 -154.80 -108.93 127.74 9.39 90.59 0.02 9.62 0.12 0.03 0.01 0.01 0.00 89.57 0.65 55 E C C 121.65 3.88 17.01 22.06 114.99 -161.36 -103.18 127.14 98.18 1.81 0.00 98.30 0.04 0.00 0.00 0.00 0.00 1.64 0.01