# 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 118.55 4.91 12.24 18.67 116.36 -157.76 -97.70 134.23 99.94 0.05 0.01 99.90 0.05 0.02 0.00 0.00 0.00 0.02 0.00 1 A C C 67.87 5.75 9.32 16.73 113.97 -134.51 -82.28 142.95 88.77 1.66 9.56 84.55 1.10 4.97 3.43 4.35 0.00 0.96 0.66 2 K C C 140.85 3.10 10.71 15.53 112.01 -140.17 -90.13 133.93 80.78 3.39 15.83 55.82 13.39 11.31 4.25 11.86 0.00 1.99 1.37 3 E C C 122.32 5.41 9.89 16.96 109.70 -131.46 -85.73 119.25 74.00 3.73 22.27 53.31 10.95 9.43 4.48 18.33 0.00 2.34 1.16 4 K C C 137.29 3.82 12.34 17.71 109.63 67.32 -92.74 115.63 74.92 3.90 21.17 41.70 15.88 18.08 4.32 16.42 0.01 2.38 1.22 5 D C C 89.34 5.90 13.60 20.65 106.68 42.28 -89.65 72.63 80.81 5.44 13.75 43.89 17.59 19.96 2.21 11.37 0.01 4.00 0.98 6 T C C 60.02 11.79 12.79 25.03 118.49 133.46 -98.87 139.75 79.43 18.17 2.39 59.84 15.36 3.83 0.57 1.82 0.00 17.22 1.35 7 I E E 48.44 13.38 15.44 29.71 120.41 -148.96 -107.06 132.31 44.76 54.81 0.43 39.31 4.17 0.70 0.13 0.30 0.00 54.14 1.26 8 R E E 125.18 8.58 19.71 29.31 120.51 -157.37 -111.83 131.55 20.12 79.78 0.10 17.81 1.75 0.18 0.03 0.06 0.00 79.60 0.56 9 T E E 20.43 18.42 16.01 34.51 131.28 176.50 -132.19 148.18 10.07 89.89 0.04 8.92 0.67 0.07 0.01 0.02 0.00 90.17 0.14 10 E E E 95.40 7.65 24.21 32.35 120.27 -136.85 -102.15 137.36 4.92 95.05 0.04 4.09 0.49 0.07 0.01 0.02 0.00 95.26 0.07 11 G E E 5.92 18.90 18.78 37.87 144.12 144.87 -163.92 176.18 2.25 97.74 0.01 1.79 0.23 0.02 0.00 0.00 0.00 97.93 0.02 12 V E E 54.54 7.88 26.08 35.26 125.25 -97.02 -120.17 139.50 0.51 99.49 0.00 0.43 0.02 0.00 0.00 0.00 0.00 99.53 0.02 13 V E E 10.67 23.50 14.25 38.42 109.10 -116.24 -75.36 124.55 0.40 99.60 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.01 14 T E E 61.76 6.83 21.72 29.43 101.33 175.44 -98.13 -30.58 1.60 98.39 0.01 1.12 0.29 0.01 0.00 0.00 0.00 98.56 0.01 15 E E E 99.14 4.09 23.57 28.09 134.86 3.43 -148.37 145.27 1.86 98.13 0.01 1.21 0.45 0.03 0.00 0.00 0.00 98.29 0.02 16 A E E 51.61 15.05 13.97 28.43 115.64 -132.31 -89.84 130.55 8.52 91.44 0.04 7.77 0.53 0.06 0.01 0.02 0.00 91.39 0.22 17 L C C 50.20 11.81 12.47 25.38 121.26 -145.11 -91.97 155.29 63.55 36.17 0.27 59.13 2.72 0.44 0.04 0.23 0.00 36.41 1.02 18 P C T 101.90 2.28 16.74 19.13 108.94 -88.13 -63.46 139.86 79.63 7.46 12.90 2.34 8.50 67.77 0.24 14.52 0.00 5.87 0.77 19 N C T 112.66 3.66 16.73 21.41 95.24 6.51 56.20 24.10 89.47 0.30 10.24 0.92 5.67 80.83 0.14 12.18 0.00 0.17 0.09 20 A C T 36.76 13.88 15.01 28.94 96.00 -68.17 75.65 13.99 91.39 1.05 7.56 4.13 26.12 59.23 0.13 9.43 0.00 0.74 0.22 21 T E E 32.02 11.35 20.08 32.83 124.72 121.05 -111.11 144.34 14.19 85.79 0.02 12.38 1.39 0.10 0.00 0.01 0.00 85.66 0.46 22 F E E 9.84 22.37 17.20 39.99 129.22 -167.43 -125.31 146.84 0.44 99.56 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.01 23 R E E 69.24 9.96 25.85 36.61 117.71 -139.54 -103.74 129.64 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 24 V E E 4.14 24.72 16.26 41.75 126.87 -172.19 -124.34 140.84 0.03 99.97 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.97 0.00 25 K E E 89.79 6.73 24.16 31.35 115.11 -143.25 -101.75 124.11 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.01 26 L E E 13.75 20.26 11.12 31.28 123.33 -150.78 -89.18 163.43 39.82 60.14 0.04 39.42 0.41 0.05 0.01 0.02 0.00 59.43 0.66 27 D C T 107.65 3.83 15.22 20.66 91.00 -101.42 -63.07 -24.87 99.17 0.45 0.38 0.47 4.09 94.71 0.01 0.34 0.00 0.33 0.05 28 S C T 76.10 3.08 14.34 18.50 93.57 56.52 -87.11 0.66 99.50 0.14 0.35 0.27 4.37 94.91 0.01 0.33 0.00 0.09 0.03 29 G C S 45.63 3.81 15.51 20.37 99.73 -100.16 90.72 3.86 99.05 0.73 0.22 10.62 88.06 0.64 0.02 0.12 0.00 0.33 0.21 30 P C C 43.20 10.18 13.61 25.70 117.75 138.79 -74.01 145.54 97.94 2.03 0.02 96.62 1.55 0.07 0.00 0.01 0.00 1.59 0.15 31 E E E 92.73 9.51 20.05 30.20 120.24 -142.14 -106.99 133.94 4.42 95.57 0.01 4.28 0.17 0.01 0.00 0.00 0.00 95.19 0.34 32 I E E 10.15 22.45 17.21 39.84 126.24 -171.07 -122.84 139.28 0.39 99.61 0.00 0.35 0.02 0.00 0.00 0.00 0.00 99.62 0.01 33 L E E 45.67 10.80 26.02 37.66 116.27 -138.57 -98.32 130.37 0.22 99.78 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.78 0.01 34 A E E 2.63 25.59 17.69 43.84 129.34 -173.47 -124.38 146.74 0.94 99.06 0.00 0.88 0.03 0.00 0.00 0.00 0.00 99.06 0.02 35 Y E E 80.29 10.19 26.98 37.69 121.49 -154.71 -116.62 133.46 5.32 94.66 0.02 4.78 0.38 0.03 0.01 0.01 0.00 94.54 0.26 36 I E E 14.21 22.87 15.84 38.69 116.23 -146.20 -100.33 128.30 44.72 55.11 0.16 42.79 1.10 0.10 0.07 0.07 0.00 54.75 1.12 37 S C C 35.47 8.94 18.42 28.58 118.86 -132.07 -78.37 159.30 88.82 10.11 1.07 86.65 2.01 0.42 0.77 0.24 0.00 9.10 0.82 38 G H H 44.67 4.08 17.13 22.00 94.74 -96.35 -56.72 -41.84 20.94 0.48 78.58 3.96 4.57 12.00 59.41 19.45 0.15 0.27 0.19 39 K H H 123.28 2.98 17.02 20.47 92.33 51.60 -65.47 -35.81 13.97 0.36 85.68 2.35 1.99 8.63 64.10 22.49 0.10 0.23 0.11 40 M H H 29.08 17.22 10.67 27.65 92.94 52.60 -70.22 -33.93 9.69 0.52 89.79 2.66 1.62 4.99 65.02 25.17 0.05 0.37 0.11 41 R H H 115.64 9.74 13.32 23.78 92.93 61.08 -65.28 -36.25 17.94 1.15 80.90 5.62 3.10 9.71 64.61 15.62 0.20 0.76 0.39 42 M H H 138.91 1.23 15.75 16.16 93.61 52.79 -72.33 -27.76 43.49 0.93 55.58 4.43 5.51 32.96 45.43 10.33 0.32 0.50 0.52 43 H C T 113.52 4.43 14.23 19.71 101.19 38.29 -98.32 -5.12 69.06 0.72 30.22 5.49 10.59 51.57 25.52 5.91 0.07 0.34 0.50 44 Y C T 139.40 6.42 15.89 23.34 102.49 -102.11 60.91 41.02 85.27 8.09 6.64 32.62 14.65 39.23 3.83 2.28 0.02 5.62 1.76 45 I C C 38.87 17.44 13.23 30.44 117.95 152.91 -102.18 130.11 85.70 13.95 0.34 77.09 7.36 0.89 0.11 0.23 0.00 12.92 1.40 46 R C C 127.66 6.32 24.49 31.51 117.91 -148.60 -100.91 130.51 81.95 17.90 0.15 80.35 1.94 0.38 0.03 0.12 0.00 14.85 2.32 47 I C C 7.93 25.50 13.22 39.12 118.32 -158.43 -106.17 129.23 79.90 20.06 0.04 81.48 0.82 0.03 0.02 0.01 0.00 10.03 7.60 48 L C C 71.07 6.39 24.33 30.72 127.37 -162.42 -108.74 155.69 99.56 0.44 0.00 99.24 0.48 0.01 0.00 0.00 0.00 0.16 0.11 49 P C T 70.26 11.10 15.94 27.53 110.08 -85.26 -59.52 137.28 99.55 0.19 0.26 0.17 1.52 98.02 0.01 0.15 0.00 0.10 0.03 50 G C T 43.42 4.16 20.22 25.15 96.32 25.45 89.73 -7.25 99.79 0.07 0.15 0.24 1.48 98.12 0.00 0.10 0.00 0.04 0.00 51 D C C 28.79 15.48 15.40 31.80 118.16 131.40 -72.00 146.06 95.84 4.13 0.03 93.49 2.32 0.08 0.00 0.02 0.00 3.90 0.17 52 R E E 106.91 8.58 24.43 33.39 117.54 -130.87 -98.21 132.64 3.60 96.39 0.00 3.56 0.10 0.00 0.00 0.00 0.00 96.02 0.32 53 V E E 2.90 26.06 16.40 43.30 129.88 -175.02 -127.55 148.26 0.40 99.60 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.61 0.00 54 V E E 32.78 10.55 27.07 39.06 119.33 -141.37 -109.90 130.50 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 55 V E E 3.05 26.17 18.07 45.18 121.83 -163.91 -116.00 133.11 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 56 E E E 66.49 9.37 26.67 36.54 121.33 -163.72 -114.93 132.27 0.62 99.38 0.00 0.55 0.01 0.00 0.00 0.00 0.00 99.43 0.00 57 I E E 25.88 20.39 15.58 35.72 119.97 -154.27 -102.58 140.49 11.73 88.26 0.00 10.82 0.38 0.01 0.00 0.00 0.00 88.58 0.20 58 T C C 32.81 9.35 16.82 28.08 115.87 -119.89 -79.71 144.66 71.91 28.05 0.04 68.79 2.13 0.16 0.01 0.04 0.00 28.03 0.85 59 P C T 86.18 6.85 15.04 23.36 91.78 -119.93 -62.71 -24.97 98.93 0.60 0.47 1.21 38.26 59.60 0.02 0.41 0.00 0.40 0.09 60 Y C T 165.05 2.17 16.03 18.26 97.55 45.34 -85.87 -23.04 98.84 0.69 0.48 1.22 39.01 58.77 0.02 0.43 0.00 0.44 0.13 61 D C C 61.62 7.10 13.68 22.51 113.12 27.44 -132.82 92.15 68.37 31.34 0.29 49.69 17.95 1.61 0.06 0.34 0.00 26.00 4.35 62 P C T 57.33 14.85 11.66 26.91 92.82 -175.79 -68.28 -15.82 74.02 22.39 3.59 7.14 11.75 56.00 0.15 4.13 0.00 19.82 1.02 63 T C T 91.29 4.54 19.24 24.47 93.95 62.14 -84.49 -11.40 72.14 24.39 3.47 4.67 14.51 53.54 0.09 3.94 0.00 22.71 0.53 64 R C E 105.38 7.49 20.89 29.07 120.63 64.52 -112.78 131.08 56.63 40.02 3.35 26.10 20.03 10.87 0.21 3.68 0.00 38.09 1.02 65 G E E 6.12 22.85 13.70 36.02 131.56 -155.75 -115.59 161.77 35.78 64.16 0.06 29.87 4.07 0.47 0.01 0.06 0.00 65.09 0.43 66 R E E 88.09 8.64 26.56 36.10 126.59 -149.67 -125.34 141.61 1.41 98.59 0.00 1.20 0.10 0.01 0.00 0.00 0.00 98.62 0.07 67 I E E 20.54 22.35 16.13 38.79 109.74 -115.65 -78.06 124.23 0.21 99.79 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 68 V E E 51.58 9.44 21.51 32.07 101.45 175.33 -100.26 -28.82 0.52 99.48 0.00 0.36 0.05 0.00 0.00 0.00 0.00 99.59 0.00 69 Y E E 83.53 9.37 21.12 31.26 139.82 3.79 -153.60 149.26 0.45 99.55 0.00 0.35 0.03 0.00 0.00 0.00 0.00 99.62 0.00 70 R E E 99.46 14.79 13.95 28.43 123.66 -165.71 -129.38 133.27 6.38 93.62 0.01 6.34 0.09 0.01 0.00 0.00 0.00 93.39 0.17 71 K C C 113.52 6.70 17.95 25.47 112.27 -153.20 -93.53 124.80 98.52 1.48 0.00 98.52 0.07 0.01 0.00 0.00 0.00 1.39 0.01