# 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 105.83 7.08 14.55 22.87 120.45 -165.72 -103.65 134.24 99.88 0.12 0.00 99.85 0.06 0.02 0.00 0.00 0.00 0.06 0.01 1 S C C 55.52 8.41 13.25 22.78 117.85 -130.15 -85.87 146.32 92.99 6.81 0.20 91.81 0.68 0.92 0.04 0.10 0.00 5.59 0.85 2 R C C 109.62 9.88 15.05 25.77 116.31 -150.76 -101.57 130.71 76.13 23.59 0.27 53.82 20.25 1.96 0.05 0.28 0.00 21.92 1.71 3 V E B 65.87 8.72 18.64 28.28 123.52 -146.06 -113.40 139.00 11.01 88.87 0.12 8.83 0.78 0.02 0.13 0.02 0.00 20.03 70.19 4 C C C 10.22 19.85 10.95 31.37 111.20 -114.13 -71.17 131.87 88.64 11.30 0.05 90.35 0.48 0.08 0.02 0.02 0.00 6.90 2.15 5 D C T 98.79 3.99 19.20 24.25 92.54 -143.12 -68.64 -25.58 99.79 0.09 0.12 0.33 3.52 95.98 0.01 0.08 0.00 0.05 0.02 6 L C T 71.87 10.58 16.17 27.19 100.10 44.67 -83.55 -40.64 99.85 0.05 0.10 0.06 1.82 98.02 0.00 0.05 0.00 0.02 0.02 7 T C T 54.00 8.58 14.86 24.87 102.19 19.13 -107.38 -14.47 99.84 0.05 0.11 0.20 2.75 96.95 0.01 0.06 0.00 0.02 0.01 8 G C C 45.57 4.41 16.28 21.95 95.15 -120.52 79.93 6.92 99.18 0.72 0.10 81.64 14.65 2.85 0.03 0.08 0.00 0.39 0.36 9 K C C 89.03 7.52 13.93 23.28 119.56 136.75 -80.03 148.46 91.58 8.34 0.08 82.71 9.12 0.25 0.03 0.06 0.00 4.92 2.92 10 R E B 143.59 4.61 17.91 23.86 116.95 -120.33 -87.05 139.97 15.54 84.30 0.15 13.10 1.30 0.08 0.16 0.04 0.00 35.55 49.77 11 A C C 33.29 16.94 11.18 27.57 117.48 -120.33 -79.35 145.42 67.87 32.09 0.05 64.79 1.84 0.11 0.01 0.03 0.00 32.83 0.38 12 M E E 91.88 6.96 18.13 26.24 121.93 -151.41 -112.45 138.11 18.46 81.50 0.05 16.62 1.41 0.11 0.02 0.03 0.00 80.62 1.20 13 V E E 80.49 9.87 13.72 24.78 124.66 -161.20 -118.44 139.41 5.88 94.10 0.02 5.36 0.35 0.03 0.01 0.01 0.00 93.80 0.45 14 G E E 28.26 6.93 14.80 23.42 138.10 158.25 -150.72 171.41 6.21 93.75 0.03 5.36 0.57 0.05 0.01 0.01 0.00 93.74 0.24 15 N E E 97.07 5.16 13.43 20.48 123.75 -107.94 -117.81 142.48 9.71 90.23 0.05 8.50 0.91 0.10 0.01 0.03 0.00 90.11 0.33 16 N E E 80.28 7.67 11.20 20.48 123.02 -161.77 -116.13 138.97 16.62 83.21 0.18 13.63 2.60 0.42 0.04 0.11 0.00 82.67 0.53 17 V E E 94.25 3.78 11.02 16.74 117.57 -144.65 -104.92 129.98 22.33 77.25 0.42 19.23 2.81 0.59 0.16 0.26 0.00 75.28 1.68 18 S C E 47.77 6.11 8.06 16.03 124.12 -159.61 -98.85 165.73 50.44 48.57 0.99 45.31 3.22 1.09 0.31 0.64 0.00 47.76 1.67 19 H C T 168.96 0.86 9.19 10.34 95.19 -104.95 -69.95 -20.13 78.92 7.97 13.11 16.56 14.56 47.64 1.12 12.37 0.01 6.93 0.83 20 A C T 88.55 0.99 8.88 10.03 98.70 53.33 -89.03 4.17 86.85 1.28 11.88 18.51 14.09 53.45 1.12 11.59 0.00 0.88 0.35 21 M C T 145.64 1.96 9.15 12.48 97.33 -103.33 62.73 28.23 82.66 4.53 12.81 28.20 24.78 30.11 1.26 11.66 0.00 3.10 0.90 22 N C C 99.25 2.29 9.51 13.42 116.82 144.12 -89.64 140.32 69.85 28.97 1.18 44.97 9.23 14.36 0.21 0.96 0.00 29.25 1.03 23 K E E 135.34 4.40 9.22 15.88 117.65 -133.75 -97.10 134.99 23.77 76.02 0.20 21.02 2.24 0.49 0.07 0.14 0.00 74.27 1.77 24 T E E 67.19 4.73 11.69 18.45 126.85 -175.01 -125.89 148.93 15.75 84.21 0.05 13.89 1.12 0.12 0.01 0.03 0.00 84.47 0.36 25 K E E 134.92 4.48 11.83 18.53 116.85 -125.04 -92.47 133.91 11.30 88.69 0.02 9.84 0.69 0.06 0.00 0.01 0.00 89.28 0.12 26 R E E 101.03 7.75 12.50 22.12 127.95 -176.31 -129.46 145.51 4.26 95.73 0.01 3.90 0.19 0.01 0.00 0.00 0.00 95.80 0.09 27 K E E 123.18 5.54 14.55 22.04 118.53 -134.97 -100.05 132.50 2.00 97.99 0.00 1.89 0.07 0.00 0.00 0.00 0.00 97.88 0.15 28 F E E 56.55 13.12 12.58 26.68 126.96 -174.20 -124.14 145.70 7.97 92.01 0.02 7.40 0.49 0.04 0.01 0.01 0.00 90.65 1.41 29 S C C 63.75 5.55 18.86 25.22 113.17 -133.48 -94.38 126.90 60.30 39.60 0.09 51.92 6.88 0.37 0.01 0.09 0.00 40.20 0.53 30 V C C 37.42 16.61 13.97 30.20 113.06 -144.08 -87.82 136.93 76.23 22.67 1.10 44.51 23.68 6.97 0.07 1.32 0.00 22.91 0.53 31 N C C 64.52 8.39 19.05 28.37 101.44 -123.45 -84.53 61.02 61.66 37.04 1.30 40.97 12.19 7.36 0.07 1.57 0.00 37.23 0.62 32 L E E 45.09 15.64 14.05 29.89 118.57 129.91 -99.27 134.28 16.40 83.58 0.03 15.15 0.99 0.06 0.00 0.02 0.00 83.21 0.57 33 V E E 50.42 9.56 18.04 29.08 123.85 -166.94 -117.29 137.69 2.54 97.45 0.00 2.23 0.14 0.01 0.00 0.00 0.00 97.58 0.04 34 K E E 108.64 9.05 16.43 26.64 118.37 -138.76 -98.54 133.04 1.27 98.73 0.00 1.09 0.04 0.00 0.00 0.00 0.00 98.85 0.01 35 K E E 57.92 11.58 14.94 27.93 131.68 -175.66 -134.33 150.73 0.88 99.12 0.00 0.80 0.02 0.00 0.00 0.00 0.00 99.18 0.00 36 R E E 124.90 6.65 17.68 25.73 118.31 -131.62 -102.61 131.91 0.30 99.70 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.72 0.00 37 F E E 33.43 15.16 13.55 29.73 131.06 -177.61 -130.13 151.77 0.25 99.75 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.77 0.00 38 Y E E 109.12 5.24 17.60 24.16 115.40 -128.84 -96.15 129.15 0.66 99.34 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.38 0.02 39 L E E 24.41 12.70 10.24 24.98 110.14 -149.87 -101.65 112.24 16.13 83.86 0.02 15.15 0.48 0.03 0.00 0.01 0.00 84.08 0.25 40 P C T 82.21 4.18 12.81 18.88 93.77 -158.18 -64.49 -30.65 81.91 0.17 17.91 0.47 2.25 76.75 0.23 20.16 0.00 0.09 0.04 41 E C T 146.27 1.26 12.47 13.80 94.94 51.04 -72.60 -34.91 83.25 0.13 16.63 0.37 2.01 78.83 0.21 18.46 0.00 0.07 0.04 42 E C T 111.55 2.93 10.96 15.10 100.43 27.50 -102.31 -1.16 84.22 0.08 15.69 0.54 2.21 78.33 0.16 18.69 0.00 0.04 0.02 43 D C T 117.88 2.25 11.80 15.85 95.37 -128.58 54.12 41.24 99.71 0.08 0.21 4.53 2.38 92.86 0.03 0.14 0.00 0.05 0.01 44 R E E 119.22 3.48 13.74 19.00 129.61 125.16 -128.34 153.97 9.49 90.50 0.01 8.07 0.82 0.07 0.00 0.01 0.00 90.81 0.22 45 W E E 141.06 7.98 12.73 22.25 116.87 -117.57 -89.06 135.03 0.62 99.38 0.00 0.56 0.01 0.00 0.00 0.00 0.00 99.42 0.01 46 I E E 46.63 11.69 14.26 27.54 125.80 -170.72 -123.93 140.44 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 47 T E E 71.32 8.69 17.51 27.32 119.85 -142.82 -106.41 132.66 0.10 99.90 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 48 L E E 25.29 17.07 15.84 33.48 127.47 -172.91 -125.64 142.15 0.34 99.66 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.71 0.00 49 R E E 111.87 8.58 22.93 32.06 116.36 -139.00 -94.87 129.82 0.36 99.64 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.69 0.00 50 V E E 9.47 22.21 15.90 38.09 132.79 174.82 -131.99 152.87 1.10 98.90 0.00 1.03 0.02 0.00 0.00 0.00 0.00 98.90 0.05 51 Q E E 44.00 10.12 20.56 31.68 116.22 -106.20 -71.08 150.03 17.01 82.97 0.01 17.07 0.28 0.01 0.00 0.01 0.00 82.21 0.43 52 R H H 106.38 11.23 16.72 28.58 91.51 -116.51 -58.50 -37.35 6.14 0.05 93.81 0.46 0.63 4.61 81.21 13.01 0.02 0.03 0.01 53 S H H 66.96 2.52 22.34 24.06 91.46 56.30 -64.27 -38.70 3.16 0.01 96.83 0.14 0.17 2.63 83.32 13.72 0.00 0.01 0.00 54 T H H 20.95 15.39 16.82 32.82 92.28 49.71 -66.40 -39.30 2.11 0.01 97.88 0.14 0.12 1.62 84.12 13.98 0.00 0.01 0.00 55 I H H 17.71 22.45 13.98 35.82 91.86 53.46 -64.92 -37.64 6.17 0.48 93.36 1.36 0.69 3.93 82.12 11.42 0.05 0.30 0.12 56 K H H 132.24 4.02 20.25 25.20 91.05 58.01 -67.11 -25.57 45.23 0.28 54.49 2.01 2.22 40.51 48.41 6.45 0.08 0.14 0.17 57 T C T 82.76 4.05 20.13 24.40 95.90 50.58 -93.37 -7.18 64.97 0.36 34.67 4.12 3.20 56.83 30.51 4.94 0.02 0.19 0.19 58 I C C 25.46 21.83 9.20 29.73 114.43 106.87 -76.94 133.23 86.88 6.22 6.90 57.42 25.81 2.91 6.52 1.02 0.01 1.90 4.42 59 N C C 82.73 5.30 18.37 24.29 122.30 -165.85 -107.34 168.66 92.38 3.70 3.92 87.83 2.36 2.19 3.29 0.68 0.00 1.68 1.97 60 K C T 144.55 4.49 15.10 21.25 92.88 -92.49 -65.54 -28.56 80.87 0.72 18.41 8.40 18.32 53.45 15.00 4.00 0.03 0.31 0.50 61 N C T 107.06 3.10 17.62 20.98 96.60 53.87 -84.91 -8.67 79.46 0.78 19.77 8.60 17.93 52.31 16.49 3.78 0.04 0.30 0.54 62 G C C 15.42 11.76 17.74 30.40 120.83 -120.55 87.05 -162.78 70.07 2.36 27.57 52.43 11.23 5.64 25.84 2.67 0.01 0.86 1.32 63 I H H 22.48 21.57 15.99 36.82 93.12 -38.35 -63.64 -39.16 3.86 0.04 96.11 1.80 0.52 1.40 95.66 0.59 0.00 0.01 0.01 64 T H H 65.10 7.72 21.81 29.92 91.81 53.07 -63.11 -41.28 1.53 0.02 98.44 0.51 0.17 0.78 97.96 0.56 0.00 0.01 0.00 65 A H H 41.09 4.38 22.58 27.31 91.39 50.31 -64.08 -41.58 0.47 0.00 99.52 0.14 0.04 0.24 99.08 0.49 0.00 0.00 0.00 66 V H H 14.80 17.55 18.67 36.53 91.83 49.51 -64.16 -43.37 0.25 0.00 99.75 0.06 0.02 0.12 99.69 0.11 0.00 0.00 0.00 67 L H H 26.51 18.07 18.13 35.90 91.59 50.10 -63.63 -41.98 0.24 0.00 99.75 0.05 0.01 0.12 99.76 0.05 0.00 0.00 0.00 68 K H H 118.96 2.51 23.09 24.69 91.65 50.36 -63.72 -41.80 0.39 0.00 99.61 0.07 0.02 0.20 99.64 0.06 0.00 0.00 0.00 69 K H H 100.27 4.00 20.84 24.91 91.92 48.67 -65.74 -40.35 0.84 0.00 99.16 0.14 0.06 0.50 99.18 0.11 0.00 0.00 0.00 70 A H H 9.48 16.32 12.64 30.00 91.71 50.95 -64.29 -41.74 2.00 0.03 97.97 0.50 0.19 1.12 97.85 0.32 0.00 0.01 0.01 71 Q H H 96.14 6.84 14.90 23.00 92.06 51.17 -64.11 -40.15 4.30 0.05 95.65 0.85 0.36 2.83 95.01 0.90 0.01 0.02 0.01 72 S H H 92.34 0.82 15.56 15.01 91.32 52.37 -66.87 -29.68 10.94 0.05 89.01 0.81 0.66 9.06 88.58 0.83 0.02 0.02 0.02 73 A C T 67.94 3.88 12.27 17.57 93.92 52.35 -85.60 -6.07 66.45 0.11 33.43 1.43 2.97 59.86 34.43 1.17 0.01 0.04 0.08 74 G C T 54.25 2.33 13.93 17.11 97.35 -109.98 80.22 10.84 96.87 0.22 2.92 5.87 7.01 84.15 2.15 0.62 0.00 0.12 0.09 75 F C C 96.72 8.39 11.29 20.98 103.36 122.39 -89.84 3.80 93.36 3.61 3.03 61.32 22.37 9.73 1.46 1.52 0.00 2.00 1.59 76 I C C 70.13 11.96 9.80 22.05 117.48 82.97 -104.80 129.72 91.28 6.04 2.68 80.13 5.26 5.94 1.20 1.15 0.00 3.54 2.78 77 K C C 140.66 3.41 15.88 20.71 113.14 -151.25 -94.46 128.34 99.92 0.08 0.01 99.88 0.05 0.02 0.00 0.00 0.00 0.04 0.00