# 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 96.47 8.77 9.54 19.35 115.67 -149.18 -87.48 140.06 99.90 0.09 0.01 99.84 0.08 0.02 0.01 0.00 0.00 0.03 0.02 1 R C C 146.56 2.74 10.78 14.91 114.44 -123.53 -84.94 135.02 95.28 2.27 2.45 94.52 0.64 1.04 0.94 0.70 0.00 0.70 1.45 2 A C T 85.72 2.93 8.99 13.79 96.29 -124.69 -61.22 -28.92 67.88 1.65 30.47 10.62 10.22 45.41 1.80 30.28 0.00 0.92 0.76 3 D C T 123.47 1.08 11.13 12.51 96.01 52.58 -77.49 -3.31 69.53 1.12 29.35 8.31 10.81 48.20 1.56 30.00 0.00 0.67 0.46 4 I C G 91.20 5.90 9.79 17.30 100.46 71.96 -90.04 -6.16 61.41 6.59 32.00 26.34 18.10 17.78 2.62 28.84 0.03 3.06 3.22 5 H C C 93.37 8.25 9.74 19.50 117.64 94.61 -97.78 132.94 94.36 5.06 0.58 50.22 43.31 1.40 0.19 0.36 0.00 2.55 1.97 6 P C C 67.91 6.78 12.33 20.84 115.65 -102.31 -69.20 151.76 97.03 2.41 0.56 74.05 14.51 8.25 0.08 0.64 0.00 2.08 0.39 7 K C C 142.56 2.98 15.84 20.00 112.59 -107.68 -79.71 133.95 81.29 17.81 0.90 61.27 12.38 6.89 0.11 1.12 0.00 16.79 1.44 8 Y E E 94.33 14.08 9.54 23.17 127.52 -165.59 -119.19 146.46 41.22 58.65 0.13 37.07 3.29 0.28 0.04 0.11 0.00 56.30 2.91 9 E E E 100.59 4.83 17.12 23.07 123.90 -158.99 -117.28 145.25 18.33 81.61 0.06 15.46 2.22 0.20 0.01 0.04 0.00 81.59 0.48 10 K E E 129.49 5.51 16.03 23.28 114.01 -112.58 -77.82 135.35 12.35 87.63 0.02 11.29 0.59 0.04 0.00 0.01 0.00 87.95 0.11 11 L E E 28.05 15.42 12.22 28.49 132.08 -177.27 -133.73 153.94 4.36 95.64 0.00 4.03 0.15 0.01 0.00 0.00 0.00 95.77 0.05 12 V E E 70.96 6.21 20.47 27.66 118.37 -132.55 -106.62 130.31 0.59 99.41 0.00 0.52 0.01 0.00 0.00 0.00 0.00 99.46 0.00 13 A E E 12.91 18.63 13.37 32.42 127.53 -173.81 -123.06 144.77 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 14 T E E 62.18 5.69 20.47 27.06 116.24 -141.39 -106.64 125.40 0.73 99.27 0.00 0.65 0.02 0.00 0.00 0.00 0.00 99.27 0.06 15 C C C 19.10 16.99 10.28 27.28 123.89 -155.81 -90.75 165.40 58.38 41.57 0.05 57.12 0.99 0.10 0.01 0.03 0.00 40.58 1.17 16 S C T 79.36 4.08 14.95 20.20 91.81 -102.96 -64.81 -22.63 99.10 0.41 0.49 0.39 5.62 93.19 0.01 0.45 0.00 0.28 0.06 17 C C T 79.41 4.10 13.46 18.88 92.81 57.26 -88.18 -0.18 99.45 0.16 0.39 0.27 5.88 93.38 0.01 0.35 0.00 0.09 0.03 18 G C S 51.60 2.40 14.77 17.79 97.52 -101.76 88.62 4.71 98.59 1.06 0.35 15.80 81.81 1.22 0.03 0.24 0.00 0.58 0.31 19 N C C 66.79 7.08 11.94 21.16 117.99 135.51 -77.27 145.08 95.13 4.83 0.03 94.26 1.21 0.10 0.01 0.02 0.00 4.04 0.35 20 V E E 86.39 7.31 14.15 23.50 123.52 -157.49 -122.22 135.67 0.99 99.01 0.00 0.96 0.03 0.00 0.00 0.00 0.00 98.89 0.12 21 I E E 51.48 12.61 13.75 27.61 125.22 -172.27 -124.31 136.81 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 22 E E E 112.99 5.53 18.16 25.12 117.33 -148.97 -101.82 130.58 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 23 T E E 35.23 15.73 12.52 28.47 131.95 -175.47 -132.97 151.45 1.34 98.66 0.00 1.21 0.04 0.00 0.00 0.00 0.00 98.73 0.02 24 R E E 137.19 4.49 19.69 25.53 122.16 -152.72 -117.66 139.17 5.35 94.64 0.02 4.69 0.35 0.03 0.00 0.01 0.00 94.81 0.11 25 S E E 29.85 16.58 11.35 27.54 126.20 -147.02 -107.31 149.97 23.54 76.32 0.14 22.08 1.10 0.18 0.04 0.09 0.00 75.35 1.17 26 A C S 64.93 5.57 16.72 23.40 98.18 -147.00 -89.20 -5.44 82.12 17.26 0.62 28.25 47.95 5.84 0.08 0.57 0.00 16.34 0.97 27 L C S 85.77 7.76 12.54 21.50 112.10 82.65 -88.50 128.93 84.71 13.99 1.30 16.85 53.79 14.74 0.17 1.19 0.00 10.93 2.33 28 G C C 57.37 2.60 14.64 18.25 101.10 -131.83 75.81 5.99 95.73 3.36 0.91 47.68 34.34 13.73 0.09 1.07 0.00 2.30 0.79 29 K C C 116.88 4.23 12.92 18.91 125.73 95.73 -109.62 152.21 95.93 2.90 1.16 46.78 40.56 8.58 0.13 1.29 0.00 1.77 0.89 30 E C S 137.21 3.92 14.23 19.60 96.15 -127.00 -75.02 -24.30 95.59 3.48 0.94 27.83 60.13 7.56 0.08 0.99 0.00 3.00 0.42 31 T C C 75.68 5.45 15.58 22.39 128.39 26.71 -135.18 142.10 57.05 42.22 0.73 45.79 7.88 2.24 0.08 0.75 0.00 42.40 0.87 32 I E E 47.36 15.59 11.77 27.67 122.03 -167.46 -119.83 132.44 12.72 87.20 0.08 11.69 0.88 0.09 0.02 0.04 0.00 86.46 0.81 33 Y E E 139.61 4.48 19.64 25.13 116.48 -154.10 -106.45 125.88 4.72 95.25 0.04 4.49 0.21 0.02 0.03 0.01 0.00 93.87 1.36 34 L E E 40.86 17.26 11.16 28.11 122.19 -167.88 -113.01 135.69 29.82 70.08 0.10 28.75 0.90 0.10 0.03 0.05 0.00 69.35 0.82 35 D C S 94.50 3.99 19.89 24.19 99.86 -155.90 -90.83 -8.97 79.10 20.75 0.15 35.12 42.18 1.36 0.02 0.14 0.00 20.54 0.64 36 V C C 54.62 10.18 15.14 26.53 127.27 43.85 -124.93 141.61 75.01 24.44 0.54 50.11 25.13 0.98 0.23 0.38 0.00 12.51 10.65 37 C C C 35.09 10.37 15.85 27.74 123.25 -147.38 -104.32 154.14 94.76 4.98 0.25 93.59 1.61 0.18 0.09 0.11 0.00 2.31 2.11 38 S C T 57.40 9.17 14.65 25.08 91.47 -117.59 -62.82 -27.91 55.87 0.34 43.80 1.72 3.86 47.20 1.35 45.57 0.00 0.19 0.12 39 A C T 75.40 3.41 17.49 21.61 91.57 63.05 -70.63 -22.57 58.05 0.14 41.82 0.49 2.35 54.07 0.99 41.99 0.00 0.07 0.04 40 C C T 53.59 8.83 14.16 24.41 99.25 43.23 -101.07 -5.49 58.48 0.49 41.03 2.01 5.92 48.20 1.36 42.04 0.00 0.25 0.21 41 H C C 44.19 12.79 9.93 23.85 114.75 100.42 -84.90 131.48 97.65 1.94 0.41 67.76 28.85 0.39 0.27 0.11 0.00 0.35 2.27 42 P C T 80.83 4.44 14.54 20.53 92.89 -137.79 -62.40 -28.86 58.38 0.26 41.36 1.87 3.69 51.80 20.70 21.49 0.04 0.12 0.29 43 F C T 124.42 4.50 13.27 18.92 94.45 55.32 -74.03 -29.29 58.37 0.25 41.37 1.30 3.50 52.73 20.58 21.41 0.08 0.12 0.28 44 Y C T 117.18 6.44 11.23 19.01 101.20 38.92 -92.20 -19.40 55.95 1.19 42.86 3.84 7.03 42.92 21.19 23.10 0.32 0.61 0.98 45 T C T 79.10 3.92 11.53 16.76 101.35 39.14 -97.69 -7.95 60.69 4.18 35.12 12.04 15.02 33.96 22.88 10.47 0.55 1.72 3.35 46 G C T 52.64 3.08 10.78 15.55 99.49 -113.24 76.99 1.70 89.71 2.44 7.85 29.83 26.59 33.71 2.75 4.65 0.01 1.13 1.32 47 K C C 158.29 1.17 11.96 13.30 101.41 95.83 -90.59 -6.70 90.51 3.23 6.25 43.64 27.59 19.24 1.86 4.53 0.00 1.68 1.45 48 Q C C 109.22 5.36 8.67 15.90 114.75 87.57 -92.89 132.63 88.38 6.80 4.81 63.67 17.86 6.56 1.66 3.34 0.00 4.52 2.40 49 K C C 152.62 2.26 10.75 14.56 110.66 -162.07 -99.13 94.80 84.82 11.34 3.83 65.34 15.02 4.00 1.80 2.19 0.00 8.31 3.33 50 N C C 114.44 3.02 10.29 15.08 112.66 23.08 -93.93 123.13 77.79 17.81 4.39 61.27 12.17 3.73 2.51 2.25 0.01 12.80 5.26 51 V C C 92.25 6.09 9.40 17.04 112.54 -161.92 -98.64 122.38 76.38 17.42 6.20 60.78 11.11 3.51 4.48 2.26 0.01 12.22 5.63 52 D C C 94.21 4.67 10.69 17.03 110.01 -135.16 -91.74 107.52 85.23 8.64 6.14 71.74 8.80 4.12 4.43 2.02 0.00 6.45 2.45 53 T C C 92.06 4.12 10.78 16.51 101.30 168.63 -93.16 1.96 74.78 3.14 22.08 34.74 20.16 20.01 18.28 3.94 0.04 1.62 1.22 54 G C T 49.44 3.15 12.53 16.64 100.44 -96.02 66.32 2.07 66.15 0.98 32.87 12.42 23.14 30.54 28.87 3.98 0.07 0.38 0.58 55 G C H 41.27 3.80 13.63 18.45 102.32 -22.00 48.12 -43.34 52.95 1.23 45.82 16.88 20.21 16.83 41.67 3.20 0.09 0.46 0.66 56 R H H 121.32 5.30 14.21 20.43 94.69 53.54 -68.14 -38.15 12.21 0.62 87.17 6.07 2.72 4.62 84.43 1.59 0.05 0.32 0.20 57 I H H 62.12 8.93 12.67 22.78 92.57 51.76 -65.50 -41.59 4.38 0.32 95.29 1.95 0.79 2.03 93.85 1.05 0.05 0.20 0.06 58 D H H 79.86 2.34 16.24 18.56 92.10 50.77 -64.42 -40.42 2.71 0.21 97.08 1.30 0.41 1.24 95.91 0.94 0.02 0.15 0.03 59 K H H 109.82 2.25 16.30 18.38 92.15 50.17 -65.17 -40.44 2.19 0.13 97.68 0.83 0.30 1.13 96.78 0.83 0.01 0.09 0.02 60 F H H 65.48 8.37 12.94 22.92 92.21 50.62 -64.80 -41.62 1.91 0.08 98.02 0.62 0.23 1.05 97.30 0.74 0.00 0.05 0.01 61 K H H 107.10 5.60 13.99 20.94 91.93 51.71 -64.03 -39.62 2.32 0.05 97.63 0.65 0.23 1.36 96.86 0.85 0.01 0.03 0.01 62 Q H H 124.75 1.26 15.62 15.96 92.40 50.63 -66.06 -39.00 4.79 0.05 95.15 0.78 0.41 3.51 93.85 1.39 0.01 0.03 0.02 63 R H H 142.03 2.72 14.29 17.59 93.62 47.58 -70.15 -36.86 8.91 0.07 91.02 1.00 0.78 6.95 89.92 1.26 0.03 0.03 0.03 64 F H H 88.94 8.40 10.76 20.36 99.53 38.21 -95.14 -12.56 27.87 0.60 71.53 5.65 4.92 18.34 68.33 2.05 0.12 0.23 0.36 65 A C H 67.05 4.52 11.17 17.39 100.77 93.52 -65.16 -0.62 52.32 1.10 46.59 13.39 6.36 32.50 37.31 9.19 0.06 0.59 0.60 66 G C T 57.66 1.55 13.42 15.00 98.71 29.21 45.23 -3.01 56.73 0.89 42.37 12.92 8.81 34.86 29.85 12.51 0.06 0.46 0.53 67 M C H 108.14 4.91 10.44 16.90 103.85 83.84 -86.01 14.12 54.12 1.61 44.27 23.48 12.56 18.95 30.23 13.10 0.06 0.76 0.86 68 S C C 65.76 5.53 9.87 16.91 113.31 91.02 -91.45 135.81 59.34 2.24 38.42 32.01 11.29 16.78 26.83 10.87 0.03 1.09 1.10 69 R C C 167.34 2.55 10.48 14.46 108.38 -144.04 -89.03 98.50 60.29 2.32 37.39 27.68 15.72 17.95 24.62 11.72 0.05 1.12 1.13 70 S C C 77.42 2.93 9.32 13.90 114.16 67.10 -91.05 133.75 63.74 3.17 33.09 30.39 15.42 18.72 19.79 12.61 0.05 1.67 1.35 71 I C C 125.64 2.96 7.29 12.05 110.65 -141.72 -88.12 120.47 65.86 6.60 27.53 37.01 14.27 15.30 16.42 10.69 0.07 3.76 2.48 72 K C C 153.36 1.91 7.58 11.20 113.59 -139.94 -92.69 128.35 80.64 4.65 14.71 70.04 1.87 9.63 9.79 3.78 0.00 2.92 1.95 73 R C C 171.78 2.34 9.70 13.85 111.52 -142.44 -89.53 129.22 99.85 0.11 0.03 99.77 0.09 0.05 0.02 0.00 0.00 0.06 0.01