# 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 I C C 59.84 15.22 11.52 26.35 111.44 -159.61 -90.46 119.87 99.68 0.18 0.14 99.50 0.16 0.15 0.04 0.03 0.00 0.07 0.05 1 K C C 140.19 3.20 13.67 18.29 110.16 -154.27 -86.82 127.41 93.24 1.20 5.55 64.06 3.97 25.40 0.97 4.35 0.00 0.77 0.48 2 N C C 125.49 2.01 14.00 16.75 101.28 4.99 -78.12 43.39 91.64 2.17 6.18 35.56 20.40 35.08 0.63 6.37 0.00 1.28 0.68 3 Y C C 88.03 13.61 9.02 22.41 116.58 157.92 -94.75 131.11 88.30 6.60 5.11 72.01 10.60 4.94 0.96 4.82 0.00 4.46 2.22 4 Q C C 118.95 3.85 17.34 22.55 121.04 -165.84 -111.47 136.44 85.07 13.41 1.52 74.81 7.62 1.89 0.58 1.02 0.00 8.69 5.40 5 T C C 59.48 13.85 12.43 26.16 122.55 -147.48 -102.12 145.12 84.36 14.79 0.85 72.28 9.94 1.16 0.38 0.51 0.00 7.36 8.38 6 A C C 36.29 11.69 13.20 26.00 117.11 -106.12 -71.76 153.23 95.60 2.75 1.65 79.20 13.07 3.06 0.34 1.46 0.00 1.64 1.23 7 P C C 86.70 4.36 17.10 22.20 110.34 -98.62 -66.29 148.67 94.74 1.16 4.10 48.31 23.09 22.78 0.49 4.20 0.00 0.60 0.53 8 F C C 125.67 8.34 11.54 20.90 111.25 -106.20 -78.38 129.68 91.38 4.34 4.27 57.90 16.71 15.73 0.64 4.22 0.00 1.58 3.22 9 D C C 57.76 8.64 10.50 20.76 114.67 126.71 -112.26 118.68 94.65 4.27 1.08 82.21 9.59 2.11 0.33 0.74 0.00 1.45 3.57 10 S C T 91.38 1.82 12.25 15.27 92.95 -153.12 -66.94 -21.37 98.57 0.32 1.12 4.42 22.00 72.17 0.13 0.95 0.00 0.17 0.17 11 R C T 167.06 1.77 12.64 14.98 94.37 61.35 -77.87 -20.93 98.40 0.39 1.21 3.15 27.22 68.17 0.13 0.94 0.00 0.20 0.19 12 F C S 67.96 10.69 8.36 19.84 109.82 36.85 -122.36 78.76 94.91 3.65 1.45 45.18 46.62 2.66 0.56 0.77 0.00 1.11 3.11 13 P C T 87.09 4.03 12.25 18.14 96.04 147.88 -64.58 -25.78 92.19 0.86 6.94 23.67 12.73 56.16 2.53 3.97 0.00 0.42 0.52 14 N C T 101.79 4.32 13.05 18.56 101.74 49.34 -91.85 23.09 85.45 1.25 13.30 16.79 16.12 52.77 6.27 6.56 0.02 0.51 0.97 15 Q C T 106.80 5.46 14.45 21.18 99.19 123.75 -72.87 -26.42 77.57 1.04 21.39 11.92 21.72 44.46 14.12 6.44 0.04 0.39 0.91 16 N C T 75.32 8.05 16.06 25.00 97.66 49.00 -83.69 8.98 74.56 1.04 24.40 23.45 11.35 40.61 18.39 5.02 0.02 0.39 0.77 17 Q H H 45.49 14.89 15.98 31.17 94.51 116.67 -65.68 -38.21 28.97 0.48 70.55 15.57 5.01 9.79 66.26 2.89 0.03 0.18 0.27 18 T H H 44.85 13.54 18.62 31.97 92.57 54.65 -64.86 -41.28 17.06 0.20 82.74 6.32 2.85 8.51 79.79 2.31 0.02 0.09 0.10 19 R H H 124.33 4.57 23.77 28.41 91.88 50.14 -65.73 -40.47 6.28 0.06 93.66 1.80 1.00 3.55 92.07 1.52 0.02 0.03 0.02 20 N H H 46.45 10.67 21.79 32.95 92.14 50.41 -65.28 -40.97 2.69 0.02 97.29 0.71 0.37 1.48 96.73 0.69 0.00 0.01 0.00 21 C H H 12.32 19.88 19.11 38.92 92.00 51.18 -64.36 -42.17 1.71 0.01 98.28 0.32 0.16 1.07 98.03 0.42 0.00 0.00 0.00 22 W H H 86.94 11.52 23.40 34.79 91.63 50.24 -64.08 -41.65 0.64 0.00 99.36 0.10 0.05 0.39 99.28 0.18 0.00 0.00 0.00 23 Q H H 80.66 6.40 25.61 32.30 91.65 50.31 -64.04 -42.23 0.25 0.00 99.75 0.03 0.01 0.16 99.73 0.08 0.00 0.00 0.00 24 N H H 20.37 17.25 21.56 38.72 91.84 50.33 -64.41 -41.98 0.24 0.00 99.76 0.02 0.01 0.16 99.74 0.07 0.00 0.00 0.00 25 Y H H 39.20 17.44 22.28 39.15 91.42 50.47 -63.89 -42.82 0.17 0.00 99.83 0.01 0.01 0.12 99.81 0.05 0.00 0.00 0.00 26 L H H 61.58 7.06 24.89 32.54 91.52 49.70 -64.03 -42.19 0.11 0.00 99.89 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 27 D H H 41.16 10.52 23.55 34.58 91.70 50.14 -64.18 -42.20 0.16 0.00 99.84 0.01 0.00 0.12 99.83 0.03 0.00 0.00 0.00 28 F H H 19.47 19.24 20.07 39.21 91.95 50.00 -63.82 -42.70 0.14 0.00 99.86 0.01 0.00 0.11 99.86 0.03 0.00 0.00 0.00 29 H H H 65.75 9.28 23.33 33.08 91.71 50.45 -63.94 -41.43 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 30 R H H 109.00 4.52 24.56 29.01 91.82 49.87 -64.33 -41.83 0.10 0.00 99.90 0.00 0.00 0.07 99.89 0.02 0.00 0.00 0.00 31 C H H 14.63 15.95 18.37 35.15 91.79 50.28 -64.41 -42.04 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 32 E H H 62.17 12.52 19.20 31.85 91.84 51.42 -63.47 -41.80 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 33 K H H 116.66 2.10 22.76 23.46 91.78 49.64 -64.38 -41.54 0.41 0.00 99.59 0.02 0.02 0.27 99.64 0.05 0.00 0.00 0.00 34 A H H 35.49 5.80 17.84 25.13 91.63 50.01 -64.52 -41.53 1.33 0.00 98.67 0.08 0.09 0.98 98.73 0.12 0.00 0.00 0.00 35 M H H 29.19 12.60 11.93 26.01 92.01 49.81 -64.99 -41.48 3.55 0.03 96.41 0.55 0.47 2.37 96.20 0.36 0.02 0.01 0.02 36 T H H 91.07 2.63 14.71 18.26 92.32 49.59 -64.78 -39.78 4.95 0.03 95.02 0.86 0.48 3.40 93.93 1.29 0.01 0.01 0.01 37 A H H 91.67 0.89 13.63 13.83 91.45 52.85 -66.94 -28.60 12.81 0.05 87.15 0.80 1.05 11.04 85.49 1.55 0.03 0.02 0.03 38 K C T 134.90 2.55 11.39 15.10 95.08 46.21 -92.98 2.07 69.18 0.05 30.77 0.85 2.90 64.82 29.43 1.92 0.01 0.02 0.06 39 G C T 64.98 0.57 14.51 13.32 95.20 -108.20 78.83 15.06 99.57 0.01 0.41 4.83 2.86 92.01 0.19 0.09 0.00 0.01 0.01 40 G C C 30.01 8.40 9.18 19.13 125.71 132.18 -91.72 167.57 99.48 0.36 0.17 92.47 6.34 0.65 0.06 0.08 0.00 0.13 0.26 41 D C C 104.67 2.52 18.23 20.96 108.55 -104.88 -86.30 118.27 99.26 0.57 0.17 96.45 2.47 0.41 0.06 0.05 0.00 0.21 0.34 42 V C C 44.65 16.75 10.58 27.06 99.65 -176.74 -95.84 1.34 93.92 0.84 5.24 90.77 2.38 0.74 4.88 0.35 0.00 0.22 0.65 43 S H H 67.48 2.58 19.87 22.47 92.02 103.62 -61.41 -41.47 6.97 0.02 93.01 3.27 1.17 2.32 92.38 0.85 0.00 0.01 0.01 44 V H H 55.82 8.21 19.31 28.46 92.01 49.79 -65.14 -39.86 1.74 0.01 98.25 0.41 0.16 0.96 97.60 0.86 0.00 0.00 0.00 45 C H H 7.71 20.75 14.27 35.35 91.65 50.91 -64.72 -41.06 0.40 0.00 99.60 0.07 0.03 0.23 98.89 0.78 0.00 0.00 0.00 46 E H H 89.85 6.70 22.17 29.34 91.49 52.28 -63.21 -40.93 0.23 0.00 99.77 0.03 0.01 0.14 99.50 0.31 0.00 0.00 0.00 47 W H H 108.00 5.72 22.81 28.59 91.58 51.18 -63.64 -42.75 0.47 0.00 99.53 0.02 0.02 0.39 99.41 0.16 0.00 0.00 0.00 48 Y H H 25.38 19.23 19.16 38.25 91.88 49.78 -63.94 -42.51 0.80 0.00 99.20 0.04 0.03 0.63 99.23 0.07 0.00 0.00 0.00 49 R H H 66.52 16.50 20.11 35.57 91.43 51.80 -62.46 -41.91 0.17 0.00 99.83 0.01 0.00 0.12 99.83 0.03 0.00 0.00 0.00 50 R H H 121.23 4.11 24.45 28.40 91.67 50.89 -64.15 -41.69 0.09 0.00 99.91 0.00 0.00 0.06 99.90 0.03 0.00 0.00 0.00 51 V H H 30.21 12.57 21.11 34.26 92.08 49.21 -64.25 -43.26 0.16 0.00 99.84 0.01 0.01 0.12 99.80 0.07 0.00 0.00 0.00 52 Y H H 13.55 22.89 17.30 40.07 92.05 48.66 -65.83 -41.03 0.37 0.00 99.63 0.02 0.01 0.31 99.34 0.33 0.00 0.00 0.00 53 K H H 93.72 11.30 19.90 31.09 91.38 54.06 -65.55 -32.84 2.23 0.00 97.76 0.07 0.08 2.14 95.08 2.62 0.00 0.00 0.00 54 S H H 64.68 5.34 21.93 27.23 92.36 55.55 -73.25 -22.96 13.03 0.00 86.97 0.13 0.27 13.85 83.51 2.22 0.01 0.00 0.00 55 L H H 45.74 15.14 17.81 32.98 100.66 37.62 -100.34 -19.43 27.62 0.02 72.36 0.35 1.47 26.28 70.38 1.47 0.02 0.00 0.02 56 C C S 12.90 21.22 12.40 33.44 128.51 55.47 -121.42 146.69 99.51 0.42 0.08 7.52 91.96 0.19 0.04 0.01 0.00 0.09 0.18 57 P C C 56.56 6.00 18.51 25.68 112.78 -101.05 -64.17 143.79 98.24 1.48 0.28 97.87 0.49 0.14 0.19 0.02 0.00 0.34 0.94 58 I H H 111.74 5.86 13.68 21.40 92.14 -118.06 -57.82 -36.74 3.17 0.00 96.82 0.41 0.39 2.21 95.09 1.89 0.00 0.00 0.00 59 S H H 76.74 1.57 18.91 19.38 91.22 56.71 -63.86 -37.38 1.58 0.00 98.42 0.07 0.09 1.38 95.91 2.54 0.00 0.00 0.00 60 W H H 56.63 13.08 15.84 29.68 92.47 48.67 -67.53 -40.01 0.75 0.00 99.25 0.07 0.04 0.58 96.66 2.65 0.00 0.00 0.00 61 V H H 20.57 16.95 14.12 31.56 91.56 51.88 -63.38 -43.04 0.55 0.00 99.45 0.05 0.04 0.40 98.70 0.81 0.00 0.00 0.00 62 S H H 62.58 2.19 21.48 22.37 91.54 50.97 -63.33 -41.40 1.65 0.00 98.35 0.07 0.06 1.51 97.85 0.51 0.00 0.00 0.00 63 T H H 62.84 4.29 20.22 24.80 91.75 49.47 -64.59 -41.77 1.95 0.00 98.05 0.08 0.10 1.75 97.66 0.41 0.00 0.00 0.00 64 W H H 22.10 18.57 14.41 33.43 91.99 50.63 -64.02 -42.75 0.80 0.00 99.20 0.09 0.06 0.55 99.00 0.30 0.00 0.00 0.00 65 D H H 64.40 6.69 18.55 26.26 91.69 51.02 -63.57 -41.13 0.37 0.00 99.63 0.05 0.02 0.22 99.61 0.10 0.00 0.00 0.00 66 D H H 85.96 1.47 19.72 19.15 91.96 49.70 -64.65 -40.80 0.26 0.00 99.74 0.02 0.01 0.17 99.71 0.08 0.00 0.00 0.00 67 R H H 69.97 8.64 14.25 24.57 92.46 49.81 -65.41 -40.80 0.25 0.00 99.75 0.02 0.01 0.16 99.70 0.11 0.00 0.00 0.00 68 R H H 87.25 11.72 12.12 24.34 91.87 51.33 -63.56 -41.38 0.39 0.00 99.61 0.03 0.02 0.28 99.41 0.27 0.00 0.00 0.00 69 A H H 89.47 1.10 15.22 15.73 91.10 52.14 -65.39 -31.95 2.79 0.00 97.21 0.05 0.07 2.70 96.86 0.32 0.00 0.00 0.00 70 E C T 129.66 1.76 13.88 15.70 93.14 50.68 -85.43 -5.54 53.62 0.02 46.37 0.22 0.78 53.07 45.26 0.64 0.01 0.00 0.01 71 G C T 49.48 4.33 13.38 19.31 94.80 -112.48 77.88 14.07 99.74 0.02 0.24 1.67 3.94 94.22 0.10 0.05 0.00 0.01 0.01 72 T C C 62.17 7.34 15.04 23.87 99.20 125.49 -93.89 -4.45 98.41 1.29 0.29 64.53 31.88 1.96 0.10 0.17 0.00 0.44 0.91 73 F C C 44.99 17.56 10.67 27.74 115.01 94.81 -102.93 128.42 97.39 2.16 0.45 58.64 36.77 1.91 0.13 0.30 0.00 0.78 1.47 74 P C T 70.90 7.23 16.96 25.24 105.34 -129.57 -69.99 125.50 96.03 1.29 2.69 32.67 21.97 41.04 0.28 2.83 0.00 0.71 0.50 75 G C T 40.92 6.83 14.32 22.18 115.20 -8.78 109.50 67.46 94.20 2.35 3.44 25.54 26.97 41.44 0.31 3.57 0.00 1.36 0.81 76 K C C 141.83 3.74 14.36 19.74 113.84 -81.66 -90.94 125.99 95.91 2.55 1.53 88.12 3.48 4.30 0.26 1.24 0.00 1.36 1.24 77 I C C 76.46 13.07 11.73 24.76 111.08 -157.21 -96.25 113.96 99.85 0.14 0.01 99.80 0.09 0.02 0.00 0.00 0.00 0.06 0.02