# 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 112.60 6.09 15.99 23.03 110.66 -144.80 -90.13 119.83 99.93 0.07 0.00 99.86 0.09 0.01 0.00 0.00 0.00 0.04 0.00 1 S C C 40.40 11.34 14.15 26.30 117.40 -132.62 -87.59 144.69 79.56 20.40 0.03 78.37 0.65 0.16 0.00 0.02 0.00 20.39 0.41 2 K E E 93.22 9.50 19.23 29.22 125.30 -156.45 -117.25 140.76 14.58 85.40 0.02 12.55 1.45 0.08 0.00 0.01 0.00 85.65 0.25 3 L E E 11.90 22.31 15.78 38.14 124.04 -161.05 -117.85 136.75 0.92 99.08 0.00 0.85 0.02 0.00 0.00 0.00 0.00 99.11 0.01 4 K E E 70.39 9.51 26.22 36.19 119.82 -153.59 -108.28 132.27 0.28 99.72 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.74 0.00 5 I E E 4.19 25.97 17.01 43.87 121.97 -165.79 -117.53 131.53 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 6 T E E 41.17 9.17 26.25 36.14 124.08 -170.12 -120.31 137.18 0.28 99.72 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 7 Q E E 34.81 20.03 15.37 35.07 111.50 -124.49 -79.46 126.43 4.05 95.93 0.02 3.81 0.16 0.02 0.01 0.01 0.00 95.91 0.09 8 I C E 79.70 7.63 20.47 28.82 101.81 -177.79 -95.08 -28.01 53.61 44.93 1.46 36.08 15.41 2.23 0.40 0.87 0.00 44.24 0.77 9 K C S 103.08 5.82 19.68 26.33 132.28 6.31 -141.85 148.96 72.10 23.42 4.48 32.80 33.35 7.07 1.08 2.90 0.01 21.34 1.47 10 S C C 58.96 11.31 14.41 25.99 117.64 -140.35 -97.29 143.78 84.77 9.69 5.53 65.57 12.72 6.18 1.29 4.33 0.00 8.49 1.42 11 G C C 36.14 10.76 14.53 25.58 104.87 -150.96 -94.14 13.19 84.32 6.77 8.91 63.59 11.95 8.32 2.04 7.33 0.00 4.35 2.42 12 I C C 99.72 6.92 13.60 21.87 113.68 114.29 -89.78 133.66 87.29 5.40 7.31 36.15 22.83 29.23 1.42 5.56 0.01 2.86 1.93 13 A C C 87.75 2.51 16.13 19.24 98.53 11.43 41.60 29.08 92.99 2.00 5.00 33.99 27.41 31.76 0.84 4.17 0.00 1.04 0.79 14 T C C 42.36 15.78 7.91 22.59 121.91 133.99 -93.37 149.89 97.04 1.59 1.37 53.68 41.61 1.73 0.63 0.59 0.00 0.45 1.32 15 K C C 114.13 3.00 16.07 19.47 115.24 -101.50 -69.58 148.56 99.34 0.19 0.48 94.03 5.04 0.26 0.43 0.05 0.00 0.05 0.14 16 P H H 102.32 2.73 13.05 17.32 91.43 -111.72 -56.17 -39.11 5.40 0.01 94.59 0.66 0.54 3.80 93.76 1.24 0.00 0.00 0.00 17 N H H 103.64 2.24 16.35 18.83 91.56 52.28 -65.15 -36.99 4.93 0.01 95.05 0.57 0.38 3.66 93.87 1.50 0.01 0.01 0.00 18 H H H 40.44 15.47 14.31 29.84 92.65 48.99 -67.11 -40.14 1.88 0.04 98.09 0.65 0.23 0.97 96.97 1.14 0.00 0.02 0.01 19 R H H 78.71 14.00 16.04 29.91 91.52 53.24 -61.90 -42.39 0.46 0.01 99.53 0.16 0.05 0.19 99.45 0.15 0.00 0.00 0.00 20 E H H 107.45 2.03 23.32 23.55 91.64 49.81 -64.08 -41.53 0.43 0.00 99.57 0.09 0.03 0.23 99.53 0.11 0.00 0.00 0.00 21 T H H 30.43 10.75 19.90 31.85 91.89 49.79 -64.40 -43.04 0.47 0.01 99.52 0.09 0.04 0.28 99.45 0.14 0.00 0.00 0.00 22 L H H 3.61 25.48 14.76 40.53 91.58 50.09 -63.60 -43.06 0.59 0.01 99.40 0.10 0.04 0.36 98.78 0.71 0.00 0.00 0.00 23 R H H 130.08 7.17 20.43 28.57 91.50 50.85 -63.03 -40.31 1.43 0.01 98.57 0.12 0.07 1.09 96.92 1.80 0.00 0.00 0.00 24 S H H 74.21 2.89 21.45 24.37 90.65 54.57 -65.48 -28.69 7.72 0.01 92.27 0.15 0.19 7.68 90.52 1.44 0.01 0.00 0.00 25 L C T 26.37 18.19 15.47 33.89 92.32 54.67 -83.29 -7.55 68.94 0.04 31.03 0.34 1.30 67.43 29.46 1.41 0.01 0.01 0.04 26 G C T 36.14 4.87 23.96 29.82 97.51 -111.50 85.78 16.93 99.68 0.01 0.30 2.40 1.55 95.84 0.15 0.05 0.00 0.01 0.00 27 L C C 10.17 24.08 9.75 33.31 110.30 151.16 -82.38 118.81 99.33 0.40 0.27 98.66 0.57 0.21 0.11 0.05 0.00 0.10 0.29 28 K C C 140.75 2.74 20.47 23.80 101.09 166.29 -103.68 -16.03 99.69 0.18 0.13 88.78 10.26 0.63 0.04 0.06 0.00 0.05 0.17 29 R C S 133.69 2.31 21.55 23.58 132.69 41.94 -131.31 158.53 94.35 5.37 0.27 15.90 76.32 0.86 0.10 0.10 0.00 0.60 6.12 30 I C T 96.81 9.83 14.55 25.39 110.84 -86.94 -61.00 135.16 99.07 0.58 0.35 0.28 3.72 95.21 0.01 0.31 0.00 0.24 0.23 31 G C T 43.77 5.28 18.30 24.79 94.45 22.39 84.62 -3.56 99.80 0.10 0.10 0.54 3.11 96.13 0.00 0.13 0.00 0.07 0.01 32 D C C 52.91 9.09 17.18 27.81 117.24 131.27 -77.78 144.84 90.97 8.94 0.09 83.91 7.16 0.17 0.01 0.10 0.00 7.80 0.84 33 T E E 53.47 15.60 16.72 31.93 127.24 -155.21 -118.63 143.60 10.53 89.46 0.01 10.66 0.17 0.01 0.00 0.01 0.00 88.07 1.07 34 V E E 31.83 14.84 19.45 34.89 127.72 -166.42 -128.04 140.72 2.27 97.72 0.00 2.09 0.07 0.00 0.00 0.00 0.00 97.81 0.02 35 I E E 66.92 13.71 19.89 33.52 119.25 -151.84 -110.37 127.77 0.40 99.60 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.60 0.01 36 K E E 58.21 13.60 17.34 31.46 131.70 174.88 -132.84 148.41 2.81 97.18 0.01 2.70 0.07 0.00 0.00 0.00 0.00 97.05 0.17 37 E E E 102.31 5.57 21.27 27.12 115.44 -104.14 -72.24 145.14 40.77 59.00 0.22 32.32 6.32 1.20 0.03 0.20 0.00 59.48 0.44 38 D C C 57.98 16.26 12.42 28.17 106.97 -107.36 -69.58 121.43 96.76 2.88 0.36 69.29 24.99 2.58 0.06 0.36 0.00 2.31 0.41 39 R C C 95.70 6.14 15.76 23.45 125.10 167.70 -123.45 146.48 99.24 0.17 0.59 88.60 10.29 0.36 0.47 0.10 0.00 0.05 0.12 40 P H H 106.50 2.00 14.48 17.18 91.38 -116.06 -58.27 -35.86 19.15 0.03 80.82 0.93 1.30 15.99 57.30 24.43 0.01 0.02 0.02 41 E H H 127.53 2.34 16.44 19.21 91.14 56.27 -65.87 -32.56 16.03 0.03 83.94 0.58 0.80 13.92 59.11 25.55 0.02 0.02 0.01 42 F H H 20.77 19.73 11.79 31.11 95.12 45.19 -80.83 -31.50 8.89 0.06 91.05 0.98 0.75 6.35 66.09 25.75 0.02 0.04 0.02 43 R H H 96.51 12.73 15.93 28.66 91.83 65.70 -60.43 -42.67 2.64 0.01 97.35 0.50 0.23 1.62 95.40 2.23 0.00 0.01 0.00 44 G H H 37.58 2.20 21.37 22.36 91.32 50.51 -62.70 -40.72 2.81 0.01 97.18 0.29 0.16 2.14 94.29 3.11 0.00 0.01 0.00 45 M H H 47.09 12.33 18.95 31.85 92.04 51.18 -65.84 -40.14 1.15 0.01 98.84 0.19 0.08 0.75 95.67 3.30 0.00 0.00 0.00 46 V H H 6.73 24.27 13.87 37.98 91.53 52.80 -64.40 -41.04 1.07 0.01 98.92 0.13 0.07 0.75 95.43 3.61 0.00 0.01 0.00 47 R H H 145.06 4.04 20.81 25.79 91.19 53.48 -64.41 -35.31 8.22 0.01 91.77 0.22 0.23 7.77 86.64 5.12 0.01 0.01 0.00 48 T H H 74.16 4.93 19.68 25.07 91.88 53.06 -71.26 -28.12 20.57 0.02 79.42 0.24 0.62 20.61 75.41 3.08 0.02 0.01 0.01 49 V C H 12.04 21.26 12.79 34.29 100.63 42.37 -104.08 12.63 61.52 1.33 37.15 18.74 16.99 26.43 32.66 3.72 0.11 0.51 0.84 50 R H G 123.65 11.22 15.40 27.58 92.07 123.33 -58.50 -33.47 46.17 0.66 53.18 2.22 2.68 39.91 1.67 52.90 0.00 0.47 0.15 51 H H G 139.06 2.41 20.83 23.25 90.62 60.82 -72.68 -16.01 49.73 0.38 49.89 0.48 2.74 45.55 0.84 50.07 0.00 0.23 0.09 52 L H G 39.20 15.91 16.16 32.23 98.71 46.72 -101.14 -8.05 47.08 2.53 50.39 1.84 3.83 40.31 0.86 50.76 0.00 2.27 0.13 53 V E E 9.66 24.19 11.97 35.94 128.43 66.44 -121.42 144.18 8.11 91.82 0.07 6.20 1.89 0.10 0.02 0.03 0.00 91.49 0.28 54 T E E 62.34 5.80 24.95 30.94 122.51 -162.45 -115.27 137.46 0.74 99.25 0.01 0.63 0.03 0.00 0.00 0.00 0.00 99.32 0.01 55 M E E 57.85 20.31 12.79 31.80 124.13 -160.74 -120.24 134.34 0.50 99.50 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.53 0.01 56 E E E 97.21 4.40 19.58 25.10 128.48 -176.71 -131.51 146.54 1.29 98.70 0.00 1.16 0.05 0.00 0.00 0.00 0.00 98.77 0.02 57 E E E 117.62 6.75 13.63 22.23 114.44 -117.67 -80.65 133.19 6.77 93.22 0.02 6.40 0.25 0.03 0.00 0.01 0.00 93.08 0.24 58 V C C 60.87 10.54 9.05 20.57 119.14 -160.52 -109.59 137.79 79.06 20.84 0.10 77.87 0.54 0.16 0.02 0.05 0.00 21.00 0.37 59 D C C 123.67 1.23 14.76 15.85 106.61 -124.31 -83.28 110.28 99.71 0.29 0.01 99.64 0.11 0.03 0.00 0.00 0.00 0.21 0.01