# 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 116.74 6.27 11.84 19.45 114.29 -170.63 -96.94 129.16 99.92 0.08 0.01 99.89 0.05 0.02 0.00 0.00 0.00 0.03 0.01 1 G C C 47.35 3.76 11.61 16.91 121.61 -146.68 -116.10 174.38 93.58 3.96 2.46 88.54 1.20 4.41 1.20 0.77 0.00 2.53 1.34 2 F C C 154.84 3.00 9.84 14.39 115.24 -101.81 -95.73 133.91 81.62 11.64 6.74 53.66 17.18 10.27 3.95 3.03 0.01 7.14 4.75 3 F C C 121.01 6.80 8.75 16.83 115.10 -146.05 -94.33 129.79 79.36 11.53 9.11 58.42 14.14 5.93 6.23 3.39 0.01 7.09 4.79 4 D C C 84.48 4.90 11.66 18.02 112.10 -146.50 -89.23 124.95 83.16 4.95 11.90 73.59 5.89 3.42 9.52 2.68 0.00 2.84 2.06 5 A H H 68.10 5.82 11.01 18.34 96.10 -130.56 -67.12 -29.47 28.13 1.16 70.71 9.58 5.31 12.51 43.78 27.60 0.11 0.68 0.43 6 D H H 99.26 3.70 12.89 17.99 95.59 61.35 -74.34 -17.81 23.84 0.87 75.29 6.52 3.55 12.06 45.15 31.82 0.07 0.55 0.28 7 L H H 90.42 6.71 12.27 20.22 97.35 56.57 -80.15 -16.40 24.46 1.03 74.51 5.76 3.99 13.00 44.58 31.56 0.12 0.63 0.35 8 S H H 56.39 8.20 13.29 22.42 100.10 55.64 -89.88 -9.04 44.20 2.69 53.11 10.52 12.78 22.44 35.08 15.67 0.64 1.20 1.66 9 Y C S 115.78 7.40 13.16 21.98 113.65 69.89 -109.25 111.31 98.21 1.49 0.30 28.97 68.98 0.58 0.18 0.08 0.00 0.49 0.72 10 P C C 49.62 9.99 10.79 22.21 117.23 -131.78 -71.21 152.62 97.66 2.03 0.31 91.56 5.69 0.34 0.22 0.08 0.00 0.68 1.44 11 T C C 72.36 2.86 15.42 18.63 116.13 -105.67 -71.71 156.07 98.42 0.95 0.63 97.03 1.31 0.16 0.54 0.05 0.00 0.24 0.65 12 V H H 96.62 4.36 11.28 17.40 92.45 -109.02 -58.44 -38.31 3.95 0.04 96.01 1.40 0.76 1.80 95.35 0.67 0.00 0.01 0.02 13 R H H 159.61 1.13 13.93 14.43 92.12 52.55 -65.11 -39.99 2.61 0.06 97.33 0.85 0.35 1.45 96.43 0.88 0.00 0.03 0.01 14 T H H 67.79 2.70 13.54 17.09 92.48 48.56 -66.17 -40.34 1.71 0.07 98.22 0.69 0.23 0.85 97.13 1.03 0.00 0.06 0.01 15 E H H 72.22 6.35 11.99 20.23 92.43 51.33 -64.55 -41.12 1.49 0.06 98.45 0.60 0.19 0.72 97.85 0.59 0.00 0.04 0.01 16 R H H 125.16 3.10 14.67 18.61 92.12 50.95 -64.72 -40.56 2.65 0.07 97.28 0.83 0.27 1.46 96.79 0.58 0.00 0.04 0.01 17 M H H 102.11 1.98 15.49 17.28 92.24 49.95 -65.47 -40.71 4.85 0.08 95.08 1.11 0.47 3.04 94.57 0.75 0.01 0.04 0.02 18 K H H 103.48 3.77 15.24 19.91 92.80 50.30 -66.64 -39.28 12.10 0.15 87.75 2.82 1.40 7.57 86.99 1.07 0.02 0.06 0.06 19 H H H 75.40 7.27 12.84 21.71 93.69 51.60 -67.91 -37.28 28.91 0.54 70.55 11.76 3.96 13.07 68.66 2.04 0.02 0.24 0.24 20 K H H 119.18 3.64 15.19 19.78 93.42 55.42 -66.07 -37.70 34.89 1.15 63.96 19.34 4.51 11.67 59.76 3.66 0.02 0.57 0.46 21 R H H 141.77 3.27 15.04 19.16 93.91 52.62 -68.63 -33.53 34.44 1.47 64.09 16.83 5.67 13.07 56.85 6.17 0.04 0.82 0.53 22 R H H 123.09 6.58 14.16 21.76 95.91 54.70 -74.78 -24.07 39.89 2.23 57.88 20.05 6.87 14.09 49.32 7.49 0.07 1.33 0.77 23 R H H 126.21 6.73 14.85 22.55 101.00 71.35 -78.09 -14.00 47.76 3.96 48.27 24.92 8.59 15.35 40.18 7.13 0.09 2.48 1.25 24 L C H 82.98 8.29 14.24 23.39 101.89 69.88 -80.43 -9.33 54.00 8.21 37.79 30.34 11.73 13.53 30.42 6.23 0.15 4.57 3.03 25 V C C 71.78 8.99 12.39 22.40 107.76 69.59 -88.74 64.43 69.12 5.74 25.14 38.76 14.45 15.85 21.17 4.40 0.06 3.15 2.16 26 Q C C 122.28 4.01 13.95 19.21 104.04 55.61 -88.17 17.13 83.87 3.25 12.88 42.37 21.47 20.25 8.63 4.12 0.01 1.76 1.38 27 G C C 30.80 6.68 13.32 21.37 128.39 39.82 -134.61 168.35 95.80 2.56 1.64 50.76 41.55 3.53 0.65 0.84 0.00 1.04 1.64 28 P C T 99.06 3.81 13.76 18.74 99.93 -71.34 -68.88 -16.61 95.58 0.49 3.93 8.55 12.64 73.92 0.39 3.98 0.00 0.29 0.23 29 N C T 104.82 4.83 14.96 20.99 101.02 40.92 -89.17 27.92 96.00 1.23 2.78 10.95 12.16 72.54 0.29 2.85 0.00 0.88 0.33 30 S C C 33.53 13.51 12.76 26.93 118.74 123.21 -96.28 140.94 82.43 14.69 2.88 61.56 14.56 6.11 0.47 2.84 0.00 12.25 2.20 31 Y C C 92.07 10.36 18.72 29.56 120.89 -168.27 -117.90 142.62 66.97 32.37 0.65 46.60 17.55 2.73 0.12 0.63 0.00 30.98 1.39 32 F E E 72.64 14.79 17.19 31.71 124.23 -147.06 -113.52 139.16 19.79 80.09 0.12 17.08 1.98 0.27 0.02 0.10 0.00 79.81 0.73 33 M E E 44.80 13.85 18.16 32.63 126.62 -170.96 -124.91 146.28 3.86 96.13 0.01 3.44 0.26 0.01 0.00 0.01 0.00 96.13 0.15 34 D E E 79.26 8.35 21.38 30.00 113.64 -126.30 -87.94 124.49 1.36 98.64 0.00 1.16 0.10 0.00 0.00 0.00 0.00 98.72 0.01 35 V E E 18.10 19.18 15.26 34.60 127.35 -175.56 -126.95 139.86 1.72 98.27 0.00 1.55 0.06 0.00 0.00 0.00 0.00 98.35 0.04 36 S E E 56.94 5.72 22.66 28.59 116.81 -134.28 -93.72 133.19 6.35 93.65 0.01 5.86 0.32 0.01 0.00 0.00 0.00 93.16 0.64 37 C C C 9.40 20.58 10.54 31.43 108.88 -125.35 -81.72 117.50 84.27 15.70 0.03 83.56 0.96 0.09 0.00 0.02 0.00 14.84 0.52 38 P C T 81.05 4.66 17.85 23.63 93.80 -148.84 -65.40 -27.99 96.39 0.29 3.31 0.92 6.87 87.89 0.06 4.01 0.00 0.19 0.08 39 R C T 144.58 3.94 16.16 20.95 98.56 42.76 -81.08 -37.71 96.41 0.13 3.46 0.27 4.52 91.29 0.04 3.78 0.00 0.07 0.04 40 C C T 54.01 7.71 13.10 22.35 104.42 20.63 -109.73 -9.37 96.45 0.59 2.96 1.81 9.26 84.68 0.07 3.65 0.00 0.40 0.14 41 R C C 154.94 4.48 15.03 21.15 95.00 -126.25 64.92 17.11 94.81 4.47 0.72 53.35 16.55 24.86 0.12 0.70 0.00 3.74 0.69 42 Q C C 84.81 6.37 16.44 24.10 120.87 128.37 -91.57 146.71 60.97 38.90 0.13 50.09 8.95 0.87 0.02 0.13 0.00 38.82 1.12 43 V E E 60.59 12.45 16.16 29.22 117.08 -129.61 -98.88 129.63 5.55 94.45 0.00 5.21 0.22 0.01 0.00 0.00 0.00 94.37 0.18 44 T E E 33.18 14.00 18.09 32.71 127.65 -175.61 -122.56 147.98 0.77 99.23 0.00 0.65 0.02 0.00 0.00 0.00 0.00 99.31 0.01 45 V E E 51.18 12.47 21.19 34.14 119.24 -133.58 -104.22 131.46 0.24 99.76 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 46 V E E 21.11 18.60 18.60 37.35 120.37 -165.07 -111.95 130.31 1.24 98.76 0.00 1.08 0.04 0.00 0.00 0.00 0.00 98.86 0.02 47 Y E E 62.93 13.06 20.22 33.74 121.29 -161.91 -112.57 133.29 9.20 90.75 0.05 7.89 0.72 0.12 0.01 0.03 0.00 90.96 0.27 48 S C E 38.16 13.40 17.01 30.54 116.44 -167.72 -110.40 144.04 52.37 46.25 1.38 26.09 17.05 10.00 0.15 1.23 0.00 44.74 0.74 49 H C S 115.98 6.48 19.51 26.19 100.94 -13.08 -84.97 31.46 82.38 15.40 2.22 26.99 33.13 22.61 0.22 2.16 0.00 13.62 1.27 50 A C C 34.12 14.35 13.07 27.58 119.76 115.89 -97.49 146.04 89.80 7.15 3.05 38.97 31.20 19.95 0.36 3.02 0.00 5.39 1.12 51 T C S 83.99 6.98 18.53 26.05 102.80 -150.59 -93.51 -1.60 87.14 11.33 1.54 28.33 41.98 16.70 0.17 1.48 0.00 10.52 0.82 52 T E E 55.50 10.50 19.54 30.37 124.47 61.71 -115.88 140.30 49.04 50.20 0.77 26.29 18.94 4.13 0.10 0.72 0.00 48.94 0.88 53 A E E 28.52 14.58 20.32 35.05 118.49 -117.17 -95.52 137.90 14.75 85.15 0.10 13.42 0.84 0.11 0.02 0.05 0.00 85.14 0.41 54 V E E 11.83 20.65 19.39 40.20 120.70 -157.80 -112.79 130.58 3.13 96.84 0.04 2.76 0.24 0.04 0.01 0.02 0.00 96.73 0.20 55 E E E 65.06 10.88 24.46 35.57 121.03 -155.23 -108.00 134.47 4.32 95.63 0.05 3.96 0.29 0.04 0.02 0.02 0.00 94.84 0.82 56 C C C 9.74 20.96 13.48 34.91 113.20 -117.75 -72.95 135.98 51.00 48.85 0.15 48.73 1.42 0.24 0.03 0.10 0.00 47.84 1.63 57 K C T 107.19 8.83 18.39 27.67 106.51 -114.13 -65.56 128.03 97.49 1.21 1.30 1.19 9.96 86.31 0.05 1.35 0.00 0.92 0.21 58 G C T 54.65 2.84 18.00 21.14 98.60 21.87 81.69 -4.38 98.29 0.54 1.17 0.82 9.69 87.71 0.03 1.26 0.00 0.36 0.13 59 C C T 46.83 11.84 11.93 24.14 123.79 47.93 -125.34 153.79 94.47 3.79 1.73 13.36 26.94 54.04 0.11 2.09 0.00 2.62 0.83 60 S C C 86.11 3.15 17.48 21.63 94.82 -139.22 -82.13 1.94 95.68 3.81 0.51 53.73 29.92 11.87 0.08 0.56 0.00 3.17 0.67 61 K C C 97.68 6.78 17.87 26.04 118.35 117.06 -83.70 143.06 77.90 21.81 0.29 48.90 26.76 2.34 0.04 0.30 0.00 19.98 1.67 62 K E E 85.43 12.79 18.94 31.77 111.06 -114.98 -76.86 127.15 6.25 93.72 0.04 5.93 0.36 0.05 0.01 0.02 0.00 91.21 2.41 63 L E E 13.30 21.03 19.14 40.32 99.04 176.55 -90.63 -27.69 10.27 89.72 0.01 5.08 4.83 0.21 0.00 0.01 0.00 89.78 0.07 64 C E E 6.82 22.23 17.15 39.77 138.60 8.53 -147.06 152.35 0.96 99.03 0.00 0.76 0.10 0.01 0.00 0.00 0.00 99.11 0.02 65 R E E 115.71 6.15 24.14 31.08 126.11 -162.43 -126.97 139.27 0.77 99.23 0.00 0.70 0.02 0.00 0.00 0.00 0.00 99.27 0.01 66 P E E 52.37 16.16 12.23 27.90 113.28 -110.52 -69.49 139.23 3.60 96.40 0.00 3.26 0.10 0.01 0.00 0.00 0.00 96.56 0.06 67 T E E 74.72 5.23 13.87 21.04 121.75 176.45 -135.84 124.32 13.35 86.46 0.19 9.82 3.17 0.81 0.05 0.18 0.00 83.82 2.15 68 G C T 68.00 0.52 14.43 13.05 94.41 -18.36 57.51 32.19 99.18 0.36 0.46 0.46 10.61 88.09 0.01 0.55 0.00 0.24 0.05 69 G C T 51.19 5.30 13.13 19.52 94.92 -48.04 82.29 2.22 99.40 0.15 0.45 0.62 11.25 87.47 0.01 0.53 0.00 0.10 0.02 70 K E E 110.51 4.12 18.27 23.73 128.59 94.21 -120.47 146.83 10.90 89.05 0.05 7.31 3.56 0.45 0.01 0.04 0.00 87.67 0.95 71 A E E 17.63 20.93 12.12 32.77 115.19 -122.34 -82.05 134.80 4.87 95.13 0.01 4.42 0.17 0.01 0.00 0.00 0.00 95.32 0.08 72 L E E 71.89 6.88 23.37 30.65 124.59 -169.55 -120.88 140.20 2.90 97.09 0.01 2.64 0.11 0.01 0.00 0.00 0.00 97.14 0.09 73 L E E 58.20 17.00 14.34 30.79 113.01 -114.63 -77.17 132.56 7.59 92.38 0.04 7.36 0.26 0.03 0.02 0.02 0.00 90.84 1.47 74 V C C 53.28 10.98 14.99 27.05 118.04 -150.83 -95.16 146.71 68.17 30.60 1.24 60.82 4.65 1.69 0.21 1.09 0.00 30.31 1.24 75 E C T 151.40 2.01 16.52 19.09 110.85 -86.08 -65.73 136.30 76.79 20.62 2.59 8.00 15.76 54.20 0.23 2.62 0.00 17.86 1.32 76 G C T 56.90 2.09 17.06 19.37 96.48 21.03 83.50 -0.89 85.96 11.78 2.26 13.79 17.75 54.43 0.18 2.42 0.00 10.75 0.68 77 C C C 30.16 18.36 10.10 27.50 115.26 134.84 -83.47 138.80 83.50 14.57 1.93 68.62 10.81 3.43 0.35 1.90 0.00 12.49 2.39 78 G C C 34.25 8.37 18.98 27.77 125.73 -159.76 -119.21 153.94 71.96 26.74 1.30 53.75 13.84 3.89 0.33 1.24 0.00 22.21 4.75 79 Y C C 87.77 15.85 13.70 28.91 126.44 -161.29 -123.73 142.37 63.55 35.40 1.05 47.96 12.45 3.01 0.22 1.03 0.00 32.01 3.33 80 R C C 124.16 6.74 17.00 25.10 125.17 -164.51 -120.74 141.67 51.19 48.18 0.63 44.22 4.48 1.06 0.22 0.52 0.00 40.90 8.61 81 R C C 129.88 8.57 12.50 22.30 117.88 -128.54 -89.85 137.65 60.28 38.98 0.73 53.12 5.01 0.84 0.37 0.47 0.00 27.84 12.35 82 K C C 102.95 7.15 9.71 18.46 115.82 -117.46 -81.34 142.18 92.92 4.19 2.89 79.41 10.50 2.87 0.60 2.47 0.00 3.31 0.83 83 P C C 107.96 2.24 9.99 13.67 104.94 -106.47 -65.75 129.40 90.94 1.28 7.78 39.12 15.47 35.40 0.82 8.03 0.00 0.78 0.37 84 D C C 117.46 1.90 8.92 12.17 103.55 22.04 -88.73 39.92 92.56 0.82 6.62 60.94 3.83 28.10 0.96 5.36 0.00 0.53 0.28 85 H C C 127.60 4.49 9.30 15.54 105.68 115.52 -90.58 52.90 99.76 0.10 0.14 99.35 0.28 0.23 0.04 0.03 0.00 0.05 0.02