# 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 108.44 6.73 13.93 21.99 120.46 -164.77 -102.42 134.61 99.89 0.11 0.00 99.86 0.06 0.02 0.00 0.00 0.00 0.04 0.01 1 S C C 58.48 7.70 13.02 21.93 117.26 -123.93 -83.85 145.92 94.52 5.08 0.40 92.10 1.08 1.77 0.10 0.20 0.00 3.70 1.05 2 R C C 116.63 9.46 14.93 25.19 108.99 -150.68 -99.61 81.53 83.59 15.90 0.51 58.20 22.32 3.13 0.10 0.49 0.00 13.43 2.32 3 V E B 66.03 8.84 18.44 28.15 123.96 80.25 -114.28 139.42 26.47 73.27 0.25 21.75 2.22 0.07 0.22 0.04 0.00 13.86 61.84 4 C C C 12.01 19.58 11.45 31.56 110.94 -113.57 -71.24 131.40 87.20 12.72 0.08 88.21 0.80 0.11 0.04 0.03 0.00 7.12 3.71 5 Q C T 112.94 4.70 19.24 25.10 92.65 -142.79 -68.90 -26.97 99.60 0.21 0.20 0.48 5.18 94.01 0.02 0.12 0.00 0.12 0.07 6 V C T 66.85 10.21 16.89 27.50 100.33 43.34 -84.79 -41.28 99.78 0.08 0.14 0.08 2.37 97.42 0.01 0.07 0.00 0.03 0.03 7 T C T 54.51 8.82 15.71 25.76 101.47 19.20 -105.90 -14.71 99.74 0.08 0.18 0.28 3.34 96.21 0.01 0.10 0.00 0.04 0.03 8 G C C 41.81 5.59 16.60 23.57 95.78 -121.66 80.12 7.01 98.01 1.85 0.13 77.22 17.54 3.26 0.04 0.10 0.00 0.93 0.91 9 K C C 97.95 6.99 15.26 23.90 119.74 132.64 -85.27 147.35 83.62 16.26 0.12 74.23 8.08 0.23 0.06 0.07 0.00 4.81 12.52 10 G C C 32.15 7.92 16.60 25.53 131.82 -135.50 -114.85 167.55 74.23 25.68 0.09 66.08 8.18 0.22 0.04 0.06 0.00 17.09 8.32 11 P C C 66.97 11.16 14.09 25.79 115.33 -83.44 -70.24 147.70 78.44 21.51 0.04 71.56 5.87 0.22 0.01 0.04 0.00 21.51 0.80 12 V E E 76.88 8.54 15.08 24.90 122.06 -155.62 -116.06 136.80 16.86 83.08 0.06 15.17 1.40 0.11 0.03 0.04 0.00 80.31 2.94 13 T E E 85.63 6.36 13.40 21.89 124.78 -160.70 -118.73 141.53 7.99 91.97 0.04 7.41 0.48 0.05 0.02 0.02 0.00 91.17 0.84 14 G E E 32.07 6.35 13.12 21.28 137.31 158.61 -153.46 173.73 12.73 87.17 0.10 10.95 1.45 0.19 0.03 0.06 0.00 86.69 0.62 15 N E E 105.17 3.98 13.01 18.84 122.00 -94.71 -113.90 140.52 19.50 80.28 0.22 16.38 2.70 0.43 0.06 0.13 0.00 79.50 0.79 16 N E E 83.85 7.29 10.52 19.42 119.36 -162.71 -111.32 136.84 30.42 68.99 0.59 24.12 5.59 1.20 0.17 0.37 0.00 67.55 0.99 17 I E E 108.71 3.45 10.69 16.02 117.31 -146.20 -104.68 130.50 34.38 64.43 1.19 28.55 5.14 1.32 0.57 0.70 0.00 60.75 2.97 18 S C C 49.59 5.76 7.89 15.55 122.64 -162.35 -101.04 164.43 58.33 39.69 1.98 50.12 5.06 2.05 0.78 1.17 0.00 38.20 2.63 19 H C T 168.35 0.88 9.00 10.26 95.19 -102.07 -67.91 -23.69 80.75 7.88 11.37 20.18 18.42 42.92 1.76 9.07 0.01 6.57 1.06 20 A C T 88.08 1.10 8.64 10.07 99.25 54.07 -87.78 3.81 88.52 1.77 9.71 22.48 17.87 48.23 1.53 8.18 0.00 1.22 0.48 21 H C C 152.80 1.87 8.95 12.21 99.60 -103.34 58.10 34.59 82.79 8.08 9.13 32.94 24.72 26.12 1.41 7.60 0.01 5.75 1.45 22 N C C 101.67 2.42 9.04 13.16 116.71 146.39 -87.70 139.62 71.33 26.99 1.68 44.49 11.65 14.76 0.33 1.39 0.00 25.84 1.54 23 K E E 141.99 3.54 9.08 14.80 117.07 -139.78 -97.75 133.58 40.54 58.81 0.65 33.47 5.45 1.58 0.20 0.50 0.00 56.16 2.62 24 T E E 72.91 4.43 10.82 17.20 123.43 -169.39 -114.33 144.68 31.07 68.73 0.20 26.38 3.45 0.54 0.06 0.14 0.00 68.56 0.88 25 R E E 151.95 4.26 11.51 17.92 116.53 -128.81 -92.12 132.48 23.96 75.97 0.07 20.93 1.75 0.19 0.02 0.04 0.00 76.70 0.37 26 R E E 108.13 7.58 12.12 21.50 126.84 -175.69 -123.73 145.59 11.43 88.55 0.02 10.47 0.56 0.04 0.00 0.01 0.00 88.66 0.25 27 R E E 130.70 6.32 14.33 22.47 119.34 -142.93 -106.49 133.49 3.40 96.59 0.01 3.21 0.15 0.01 0.00 0.00 0.00 96.33 0.29 28 F E E 68.01 11.91 13.43 26.51 122.80 -167.29 -118.28 138.31 6.55 93.44 0.01 6.33 0.27 0.02 0.00 0.00 0.00 90.91 2.46 29 L C C 84.20 7.09 18.04 26.25 114.54 -143.47 -105.04 120.90 72.60 27.35 0.06 68.69 2.69 0.17 0.01 0.06 0.00 28.02 0.36 30 P C C 40.38 14.34 15.08 29.65 114.60 -128.10 -70.21 150.89 83.53 15.92 0.55 47.98 25.22 8.77 0.03 0.75 0.00 16.88 0.37 31 N C C 62.44 9.55 18.43 28.65 105.53 -125.24 -84.42 84.77 62.74 36.61 0.65 40.43 13.15 7.98 0.04 0.87 0.00 36.81 0.71 32 L E E 51.97 14.06 15.02 29.62 118.17 133.85 -97.13 133.21 17.22 82.75 0.02 16.12 0.92 0.05 0.00 0.02 0.00 82.33 0.56 33 Q E E 56.62 10.76 17.38 29.38 127.14 -172.15 -123.50 143.33 2.37 97.62 0.00 2.12 0.16 0.01 0.00 0.00 0.00 97.64 0.06 34 H E E 100.86 8.88 17.04 27.00 120.15 -139.93 -106.45 133.13 1.08 98.92 0.00 0.95 0.04 0.00 0.00 0.00 0.00 99.00 0.01 35 H E E 45.57 12.75 14.44 28.60 130.39 -175.07 -132.41 147.86 0.72 99.28 0.00 0.64 0.03 0.00 0.00 0.00 0.00 99.32 0.01 36 R E E 124.71 6.46 17.37 25.24 118.01 -135.30 -103.13 130.87 0.31 99.69 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 37 F E E 40.00 13.78 13.44 28.50 130.19 -173.84 -131.08 151.69 0.25 99.75 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.77 0.00 38 W E E 123.43 5.12 16.36 22.94 114.73 -127.27 -93.64 128.70 0.47 99.52 0.00 0.41 0.02 0.00 0.00 0.00 0.00 99.56 0.01 39 V E E 26.48 11.69 9.62 23.30 111.32 -154.39 -101.06 116.35 4.85 95.13 0.01 4.30 0.29 0.03 0.00 0.01 0.00 95.18 0.19 40 E C T 132.81 2.51 11.93 15.96 94.70 -156.50 -65.69 -33.93 84.93 0.43 14.65 0.63 2.79 80.23 0.26 15.75 0.00 0.26 0.08 41 S C T 93.19 0.81 11.75 12.05 93.93 50.41 -70.41 -33.30 84.94 0.16 14.90 0.50 2.36 80.51 0.25 16.24 0.00 0.09 0.05 42 E C T 109.11 3.24 10.22 14.90 99.33 32.84 -101.48 -1.13 85.35 0.09 14.56 0.67 2.56 79.38 0.21 17.09 0.00 0.05 0.03 43 K C T 162.74 1.74 11.89 15.04 94.75 -130.81 55.16 38.47 99.66 0.10 0.24 3.09 2.26 94.37 0.03 0.15 0.00 0.07 0.01 44 R E E 119.09 3.60 13.13 18.59 130.45 120.47 -128.41 153.43 7.25 92.73 0.01 5.96 0.76 0.07 0.00 0.01 0.00 93.03 0.17 45 F E E 114.00 7.94 12.67 22.12 116.67 -119.51 -90.92 135.12 0.60 99.40 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.45 0.01 46 V E E 42.04 11.60 14.25 27.48 125.45 -169.78 -122.15 139.63 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 47 R E E 126.04 8.25 17.67 27.21 118.71 -141.46 -102.90 130.85 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 48 L E E 23.90 17.55 16.28 34.21 128.85 -174.00 -126.66 146.09 0.47 99.53 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.60 0.00 49 R E E 98.99 10.05 23.71 34.02 116.13 -133.62 -92.99 130.10 0.42 99.58 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.64 0.00 50 V E E 7.65 22.77 17.46 40.18 133.74 176.58 -132.82 153.59 1.16 98.84 0.00 1.11 0.02 0.00 0.00 0.00 0.00 98.82 0.06 51 S E E 17.47 12.88 20.69 34.68 119.09 -107.54 -72.61 156.17 17.53 82.46 0.01 17.94 0.23 0.01 0.00 0.00 0.00 81.45 0.37 52 A H H 45.90 10.30 20.30 31.47 91.78 -111.68 -59.46 -37.20 2.52 0.01 97.47 0.17 0.24 2.06 96.68 0.84 0.01 0.00 0.00 53 K H H 112.40 3.82 25.01 28.93 91.69 54.13 -63.89 -39.94 1.09 0.00 98.91 0.05 0.06 0.97 98.18 0.74 0.00 0.00 0.00 54 G H H 4.22 20.06 18.15 38.63 91.51 50.68 -64.54 -41.76 0.63 0.00 99.37 0.06 0.04 0.47 98.49 0.95 0.00 0.00 0.00 55 M H H 28.35 18.77 19.06 37.26 91.45 51.75 -63.24 -41.99 0.55 0.00 99.45 0.07 0.03 0.34 99.19 0.36 0.00 0.00 0.00 56 R H H 121.84 3.10 24.41 26.75 91.71 50.68 -63.82 -41.44 2.41 0.01 97.58 0.21 0.11 1.98 97.42 0.27 0.00 0.01 0.00 57 I H H 38.15 8.78 19.35 29.85 91.69 49.68 -64.35 -42.59 2.96 0.05 96.99 0.42 0.27 2.12 96.84 0.31 0.01 0.02 0.01 58 I H H 12.15 21.11 13.43 34.47 91.63 49.92 -64.09 -42.50 2.64 0.06 97.30 0.67 0.40 1.35 97.25 0.28 0.00 0.02 0.02 59 D H H 83.90 7.30 17.21 25.46 92.47 48.48 -66.49 -38.50 4.35 0.04 95.62 0.82 0.43 2.83 95.41 0.48 0.01 0.02 0.01 60 K H H 151.83 1.06 18.19 17.66 97.02 41.49 -77.58 -37.95 7.01 0.03 92.96 0.44 0.62 5.67 92.79 0.44 0.01 0.01 0.01 61 R H H 129.12 4.32 15.76 20.93 100.76 25.94 -105.44 -11.34 13.36 0.11 86.52 1.30 3.15 8.66 86.41 0.36 0.03 0.03 0.06 62 G C C 19.45 5.90 18.83 26.61 125.64 -118.44 90.35 167.16 89.23 0.37 10.41 83.51 2.10 2.37 11.25 0.48 0.00 0.12 0.18 63 I H H 32.25 20.56 13.47 33.47 91.85 -86.45 -59.91 -38.87 1.97 0.01 98.02 0.58 0.27 0.86 97.98 0.30 0.00 0.00 0.00 64 E H H 122.59 3.70 21.24 25.74 91.39 53.41 -63.05 -40.36 0.77 0.00 99.23 0.17 0.06 0.43 99.09 0.26 0.00 0.00 0.00 65 A H H 45.48 4.36 21.22 25.95 91.68 49.65 -64.93 -40.65 0.28 0.00 99.71 0.06 0.02 0.15 99.58 0.19 0.00 0.00 0.00 66 V H H 10.97 18.60 16.86 36.04 91.70 49.75 -64.17 -43.79 0.15 0.00 99.85 0.03 0.01 0.07 99.85 0.04 0.00 0.00 0.00 67 L H H 33.92 14.96 18.90 34.08 91.63 49.40 -63.89 -42.43 0.14 0.00 99.86 0.02 0.00 0.08 99.87 0.02 0.00 0.00 0.00 68 A H H 51.59 2.86 21.79 24.01 91.20 50.40 -63.06 -42.15 0.24 0.00 99.76 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 69 D H H 58.27 5.75 19.25 26.02 91.83 49.53 -65.24 -40.70 0.74 0.00 99.26 0.09 0.04 0.47 99.32 0.08 0.00 0.00 0.00 70 L H H 18.26 15.29 12.90 29.32 91.81 50.91 -64.06 -41.80 1.40 0.02 98.58 0.27 0.12 0.85 98.44 0.31 0.00 0.00 0.00 71 R H H 134.98 4.24 15.16 20.76 91.70 50.83 -63.85 -40.11 2.65 0.02 97.32 0.43 0.19 1.78 96.89 0.69 0.00 0.01 0.00 72 A H H 83.58 1.49 14.01 15.59 91.17 53.10 -66.25 -29.42 10.92 0.04 89.04 0.64 0.54 9.49 88.55 0.73 0.01 0.02 0.02 73 R C T 138.52 3.66 11.81 16.93 93.81 50.28 -88.43 -0.14 73.88 0.07 26.05 0.92 1.92 68.94 27.22 0.91 0.00 0.02 0.05 74 G C T 61.49 1.03 13.45 14.24 96.90 -106.93 80.65 12.49 97.94 0.09 1.98 4.12 4.10 89.97 1.42 0.31 0.00 0.04 0.03 75 E C C 87.84 7.82 8.58 18.02 116.46 140.32 -88.16 139.15 97.54 0.95 1.50 86.09 8.29 3.32 0.73 0.62 0.00 0.50 0.44 76 K C C 155.02 1.94 13.94 16.91 113.08 -133.52 -91.45 127.37 95.86 2.74 1.40 89.98 3.15 3.01 0.62 0.53 0.00 1.58 1.14 77 F C C 88.46 13.26 11.21 24.15 117.55 -153.01 -102.76 133.56 99.84 0.15 0.01 99.80 0.08 0.02 0.00 0.00 0.00 0.08 0.01