# 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 S C C 79.01 3.61 12.22 17.49 119.14 -156.63 -104.37 141.94 99.86 0.13 0.01 99.78 0.10 0.03 0.01 0.00 0.00 0.06 0.01 1 K C C 142.48 3.66 9.66 15.21 114.20 -135.30 -94.21 130.15 87.19 8.41 4.40 81.95 1.90 3.73 2.32 1.51 0.00 5.19 3.40 2 K C C 150.77 2.48 9.62 13.83 113.04 -139.43 -89.99 134.15 84.53 8.74 6.73 51.92 16.78 16.38 2.54 3.91 0.01 5.80 2.66 3 G C C 50.70 4.11 10.00 15.64 110.69 -57.89 -76.55 145.26 86.17 6.99 6.85 50.39 19.71 16.66 2.46 4.18 0.00 4.28 2.31 4 V C C 105.08 4.09 9.96 15.74 111.53 -92.22 -91.11 119.25 79.29 8.38 12.33 41.53 19.40 19.20 5.77 6.14 0.03 4.92 3.02 5 G C C 50.11 3.83 11.62 16.91 111.01 15.08 87.77 -22.94 78.67 6.05 15.28 36.36 22.43 21.00 7.11 7.48 0.03 3.39 2.22 6 S C C 77.85 4.03 11.38 16.88 106.77 -51.97 -88.96 54.96 72.63 7.90 19.46 44.10 16.66 12.08 10.09 9.35 0.03 4.68 3.01 7 T C C 83.15 5.40 10.68 17.65 110.74 112.03 -91.92 117.06 69.06 9.97 20.98 41.70 15.72 11.87 11.99 9.03 0.05 6.16 3.48 8 K C C 138.34 3.92 11.91 17.39 105.70 -142.48 -88.18 26.68 69.73 8.80 21.46 34.86 17.74 18.13 12.44 8.40 0.08 5.17 3.18 9 N C C 100.14 5.23 12.48 18.97 105.41 62.72 -93.99 52.57 79.43 4.53 16.03 32.44 22.17 25.85 8.80 6.46 0.03 2.42 1.83 10 G C C 42.08 6.68 12.51 20.37 106.54 -105.58 78.73 5.06 83.90 3.49 12.60 39.40 24.16 21.04 6.10 5.99 0.01 1.79 1.51 11 R C C 130.88 6.12 12.92 20.48 114.87 118.51 -91.35 136.52 71.31 7.13 21.56 44.56 15.74 11.16 13.02 8.51 0.04 3.76 3.22 12 D C C 89.36 6.32 12.99 20.53 107.49 -130.24 -87.12 106.80 68.24 4.92 26.84 45.75 11.77 10.55 15.86 11.27 0.02 2.82 1.96 13 S C C 62.27 7.61 12.54 21.23 103.26 99.51 -84.40 8.41 57.32 3.47 39.21 32.79 12.10 12.93 20.21 18.69 0.04 1.91 1.33 14 E C C 124.95 4.66 15.53 21.03 100.48 72.61 -84.02 -3.48 53.19 3.96 42.86 26.24 12.97 15.14 21.01 20.88 0.11 2.19 1.45 15 A C C 46.32 11.60 12.92 25.15 110.82 88.92 -83.22 133.87 57.91 4.40 37.70 33.80 12.67 12.28 16.93 20.25 0.04 2.58 1.45 16 K C C 108.75 8.56 17.31 26.51 111.94 -135.78 -93.35 120.93 67.39 9.90 22.71 42.00 16.41 9.84 10.16 12.15 0.03 7.21 2.20 17 R C C 113.34 10.87 18.60 29.60 118.93 26.36 -95.45 134.36 61.55 29.97 8.48 45.80 10.52 5.03 4.22 4.51 0.03 24.92 4.97 18 L C E 47.24 17.18 17.73 34.35 119.37 -150.29 -103.32 139.53 51.55 46.76 1.69 42.78 6.20 1.63 0.84 0.88 0.00 44.49 3.19 19 G E E 18.83 13.42 21.81 34.94 138.63 115.35 -126.33 174.09 28.34 69.87 1.78 22.52 5.15 1.40 1.01 0.81 0.00 66.66 2.44 20 A E E 27.15 19.48 16.41 35.01 119.03 -84.69 -95.18 141.23 21.89 75.20 2.91 18.60 2.59 1.06 1.86 1.05 0.01 72.84 1.98 21 K E E 118.63 6.79 21.23 28.86 99.44 -159.14 -90.24 -23.94 27.18 69.17 3.65 18.47 7.90 2.43 2.30 1.25 0.01 65.54 2.09 22 R E E 94.69 10.60 18.10 29.20 130.87 18.79 -134.19 143.85 45.46 51.23 3.31 38.07 4.77 2.09 1.82 1.59 0.00 45.76 5.90 23 A C C 42.08 11.74 15.43 27.71 121.99 -147.76 -102.30 152.18 84.22 8.69 7.09 79.65 2.51 2.69 1.14 5.47 0.00 7.31 1.23 24 D C T 101.94 5.86 15.57 22.54 104.20 -48.48 -48.88 112.85 91.43 1.54 7.03 0.87 4.96 86.23 0.42 6.32 0.00 1.01 0.19 25 G C T 53.08 3.37 16.53 20.77 95.13 1.23 84.00 -2.81 93.05 0.77 6.17 1.39 6.04 85.57 0.18 6.12 0.00 0.62 0.08 26 Q C C 84.46 7.24 15.60 24.56 122.00 125.00 -90.14 148.21 86.34 13.61 0.05 77.44 8.11 0.18 0.00 0.05 0.00 13.77 0.44 27 F E E 117.67 7.52 20.02 28.46 115.87 -120.05 -86.28 135.59 6.08 93.91 0.00 6.22 0.14 0.00 0.00 0.00 0.00 91.95 1.68 28 V E E 10.81 23.19 12.51 35.61 125.01 -166.85 -117.43 141.76 1.51 98.49 0.00 1.67 0.01 0.00 0.00 0.00 0.00 96.72 1.59 29 T C C 74.36 4.34 24.46 28.95 125.03 -145.48 -101.53 153.25 57.26 42.73 0.01 57.77 0.46 0.03 0.00 0.00 0.00 40.71 1.02 30 G C T 33.14 13.46 15.80 29.18 109.26 -84.68 -59.35 135.78 99.01 0.84 0.15 0.13 2.32 96.96 0.00 0.09 0.00 0.44 0.06 31 G C T 39.71 6.36 21.11 28.26 96.71 24.26 88.89 -5.41 99.55 0.35 0.10 0.29 3.11 96.24 0.00 0.08 0.00 0.26 0.01 32 S C C 32.13 12.35 19.61 32.82 118.01 126.14 -75.19 146.16 88.60 11.35 0.05 84.67 3.55 0.12 0.01 0.05 0.00 11.05 0.55 33 I E E 49.52 15.59 22.18 37.44 111.36 -118.10 -81.79 125.75 4.45 95.53 0.01 4.40 0.15 0.01 0.01 0.01 0.00 93.75 1.67 34 L E E 8.80 23.62 21.56 44.85 101.49 176.97 -94.02 -33.10 3.82 96.17 0.01 2.63 1.10 0.09 0.00 0.01 0.00 96.10 0.07 35 Y E E 23.13 19.73 23.27 42.40 141.22 3.14 -151.63 151.18 4.48 95.45 0.07 3.44 0.88 0.18 0.02 0.06 0.00 95.26 0.16 36 R E E 82.49 14.06 22.01 35.51 122.79 -147.50 -114.51 133.21 15.42 84.38 0.20 13.29 1.71 0.33 0.05 0.13 0.00 84.00 0.49 37 Q C E 51.18 15.89 16.26 32.04 114.20 -138.79 -91.63 128.34 51.95 47.05 1.00 38.00 10.66 3.41 0.21 0.89 0.00 45.31 1.51 38 R C C 132.35 7.38 16.58 25.03 111.23 -146.65 -83.17 131.07 76.82 21.66 1.51 31.26 24.37 22.27 0.19 1.47 0.00 18.76 1.69 39 G C S 50.38 3.69 16.86 21.10 105.73 14.85 88.78 -7.08 90.21 8.93 0.86 32.20 35.09 23.04 0.08 1.00 0.00 7.81 0.78 40 T C C 59.23 11.78 12.17 24.55 118.85 116.70 -95.40 139.06 85.70 13.41 0.89 67.12 15.37 2.90 0.14 0.89 0.00 11.90 1.67 41 K C C 139.21 3.90 19.73 24.28 106.28 -135.18 -88.95 91.03 75.36 24.09 0.55 56.37 16.37 2.16 0.11 0.55 0.00 21.56 2.88 42 I C C 32.61 20.28 11.62 31.13 119.16 93.64 -107.51 132.76 54.46 45.19 0.35 45.82 7.27 0.70 0.15 0.24 0.00 29.89 15.92 43 Y C C 123.93 5.65 21.61 27.84 116.30 -151.65 -104.69 127.48 85.74 14.19 0.08 82.06 3.74 0.29 0.02 0.06 0.00 12.07 1.76 44 P C C 63.94 13.87 14.19 27.90 112.28 -112.59 -65.63 140.86 90.06 8.34 1.60 40.77 21.49 28.00 0.22 1.59 0.00 6.44 1.48 45 G C S 33.13 7.38 17.76 26.29 133.12 67.61 109.41 -171.32 91.37 6.24 2.39 25.05 33.98 32.50 0.25 2.54 0.00 3.62 2.06 46 E C T 141.47 2.59 20.07 22.77 98.96 -52.61 -72.95 -19.28 93.79 4.03 2.19 3.51 31.66 59.15 0.11 2.09 0.00 2.66 0.83 47 N C T 49.18 14.93 16.88 31.55 97.72 42.27 -94.80 3.28 91.05 8.18 0.77 8.37 24.74 57.89 0.04 0.92 0.00 7.61 0.45 48 V E E 18.25 21.93 14.05 35.54 125.92 85.68 -112.10 140.65 14.49 85.47 0.03 12.36 1.61 0.10 0.01 0.02 0.00 85.37 0.53 49 G E E 22.81 7.98 23.66 32.34 141.21 166.83 -152.65 175.01 0.89 99.10 0.00 0.79 0.04 0.00 0.00 0.00 0.00 99.11 0.05 50 R E E 123.63 10.42 16.86 28.13 122.49 -105.69 -110.56 139.05 1.58 98.41 0.00 1.57 0.05 0.00 0.00 0.00 0.00 97.97 0.40 51 G C C 21.85 11.88 11.75 24.46 125.13 -144.79 -88.43 176.55 82.59 17.34 0.07 80.53 1.18 0.19 0.01 0.05 0.00 17.53 0.51 52 G C T 63.38 0.98 15.57 15.71 94.80 -87.11 -63.45 -29.29 94.07 2.28 3.65 1.83 15.98 75.55 0.07 4.54 0.00 1.65 0.36 53 D C T 101.48 3.16 15.62 19.44 96.04 48.50 -90.36 9.02 96.52 0.20 3.27 0.79 11.90 82.86 0.04 4.23 0.00 0.12 0.05 54 D C S 63.08 11.74 15.64 27.84 94.13 -104.86 72.00 21.60 95.14 1.44 3.42 10.65 55.95 27.48 0.09 4.49 0.00 1.07 0.27 55 T C C 22.91 13.36 19.75 34.39 121.99 135.82 -92.15 145.13 55.21 44.77 0.02 54.08 1.10 0.08 0.00 0.01 0.00 43.97 0.75 56 L E E 4.51 24.61 19.46 44.90 115.88 -127.50 -89.96 132.76 0.27 99.73 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.69 0.03 57 F E E 44.42 12.74 26.88 40.11 128.19 -170.99 -124.25 143.53 0.08 99.92 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.01 58 A E E 5.00 23.97 15.09 39.82 112.17 -114.39 -76.89 133.09 6.71 93.28 0.00 6.96 0.08 0.00 0.00 0.00 0.00 92.64 0.31 59 K C S 103.45 6.37 23.44 30.60 95.64 -161.63 -86.13 -17.59 93.59 6.31 0.10 17.71 68.35 7.19 0.01 0.13 0.00 6.38 0.24 60 I C S 62.95 7.41 21.47 29.78 135.25 32.49 -135.56 159.25 93.32 6.56 0.12 2.43 84.11 6.88 0.00 0.11 0.00 6.17 0.30 61 D C C 84.26 6.92 21.83 29.29 113.00 -96.08 -67.70 139.14 93.70 6.18 0.11 52.92 36.52 3.80 0.01 0.16 0.00 6.35 0.25 62 G E E 10.27 10.79 20.92 33.81 143.22 92.41 165.52 -171.21 18.32 81.67 0.01 16.31 1.74 0.10 0.00 0.01 0.00 81.25 0.58 63 T E E 37.23 10.19 24.81 36.34 124.14 -67.66 -116.07 139.17 0.58 99.42 0.00 0.56 0.01 0.00 0.00 0.00 0.00 99.38 0.05 64 V E E 3.93 25.82 16.39 43.17 118.59 -149.03 -104.16 130.06 0.30 99.70 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.71 0.00 65 K E E 68.33 9.32 26.50 36.20 123.79 -168.91 -118.53 136.54 0.33 99.67 0.00 0.30 0.00 0.00 0.00 0.00 0.00 99.69 0.00 66 F E E 23.11 22.35 15.40 37.47 123.19 -157.01 -112.63 137.64 0.61 99.39 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.43 0.01 67 E E E 79.54 6.69 21.35 28.74 127.88 -175.70 -127.37 143.40 0.75 99.25 0.00 0.66 0.03 0.00 0.00 0.00 0.00 99.30 0.01 68 R E E 117.10 9.60 12.93 23.66 113.49 -125.34 -88.21 126.89 4.94 95.04 0.02 4.27 0.33 0.04 0.00 0.01 0.00 95.16 0.18 69 F E E 107.62 6.01 12.24 19.80 108.08 176.41 -106.25 14.16 35.71 64.02 0.27 25.77 6.93 2.15 0.03 0.29 0.00 64.44 0.40 70 G C T 44.29 2.11 13.14 15.74 127.72 -46.49 128.68 -172.79 63.36 34.66 1.98 9.70 24.78 31.19 0.11 2.06 0.00 30.98 1.18 71 R C T 194.34 0.87 11.29 11.98 100.96 -26.81 -61.99 -13.78 97.62 0.46 1.92 3.12 21.88 72.22 0.07 2.26 0.00 0.31 0.13 72 D C T 122.87 1.75 11.48 14.11 98.43 -5.42 -90.53 14.35 97.48 0.96 1.56 5.16 26.64 65.35 0.05 1.92 0.00 0.70 0.17 73 R E E 111.89 5.98 12.69 20.54 121.03 98.98 -112.11 138.82 36.29 63.54 0.16 28.71 5.83 1.41 0.02 0.16 0.00 63.16 0.71 74 K E E 72.21 12.77 12.99 26.52 125.40 -167.97 -118.71 141.97 12.29 87.71 0.01 11.45 0.35 0.03 0.00 0.00 0.00 88.06 0.11 75 K E E 76.19 9.49 20.82 31.09 126.04 -162.37 -120.67 142.12 1.35 98.65 0.00 1.20 0.05 0.00 0.00 0.00 0.00 98.72 0.02 76 V E E 19.57 20.67 16.66 37.31 123.90 -159.96 -118.15 134.44 0.46 99.54 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.55 0.00 77 S E E 26.18 10.28 24.50 35.72 130.78 -171.41 -127.05 150.79 0.53 99.47 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.51 0.00 78 V E E 23.45 20.72 16.37 37.06 121.05 -150.37 -114.22 130.70 1.69 98.31 0.00 1.52 0.05 0.00 0.00 0.00 0.00 98.37 0.05 79 Y E E 82.00 8.97 19.83 29.81 124.72 -173.30 -123.80 136.80 11.73 88.27 0.00 10.93 0.37 0.01 0.00 0.00 0.00 88.52 0.16 80 P E E 75.57 7.42 16.76 25.02 113.27 -106.12 -66.06 145.35 28.88 71.09 0.03 27.08 0.90 0.12 0.00 0.02 0.00 71.34 0.53 81 V C C 67.10 12.58 13.27 25.94 110.97 -124.70 -86.63 128.21 99.59 0.40 0.01 99.57 0.10 0.03 0.00 0.00 0.00 0.28 0.02