# 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 125.96 4.07 11.32 17.12 114.58 -163.01 -98.92 132.37 99.71 0.26 0.03 99.69 0.09 0.04 0.01 0.00 0.00 0.13 0.03 1 A C C 78.22 3.80 8.58 14.40 114.46 -145.49 -91.20 135.57 87.63 8.83 3.54 82.70 1.55 3.73 1.54 1.31 0.00 7.06 2.11 2 H C C 145.36 2.46 8.47 12.87 116.36 -155.32 -101.20 133.76 77.89 17.58 4.52 52.56 17.72 7.49 1.79 2.85 0.01 13.59 4.00 3 K C C 144.88 2.95 8.85 13.85 115.78 -145.92 -96.25 132.62 75.53 20.40 4.08 55.71 13.98 5.13 1.70 2.57 0.01 15.40 5.52 4 K C C 148.35 2.82 9.86 14.68 114.28 -140.70 -90.24 134.35 80.73 15.22 4.04 52.40 16.23 12.14 1.36 2.70 0.01 12.20 2.96 5 G C C 50.65 4.07 9.70 15.50 116.80 -128.75 -96.79 157.07 86.58 10.29 3.13 48.75 23.06 15.11 0.81 2.37 0.00 7.74 2.15 6 V C C 110.46 3.27 9.79 14.88 113.46 -111.51 -95.51 124.02 83.74 11.09 5.17 47.63 22.24 14.13 1.72 3.46 0.01 7.17 3.64 7 G C C 49.79 3.64 11.31 16.44 115.60 -74.80 85.55 175.70 83.43 8.00 8.57 40.84 25.60 17.76 2.70 5.65 0.01 4.98 2.47 8 S C C 79.04 3.82 11.34 16.65 110.66 -63.66 -88.36 105.76 75.62 9.19 15.19 44.28 18.08 13.50 5.38 9.69 0.02 5.83 3.20 9 S C C 66.80 5.64 10.06 17.23 110.54 -138.77 -90.54 122.14 70.90 9.15 19.95 41.36 15.47 14.52 7.31 12.43 0.03 5.83 3.05 10 K C C 148.53 2.81 11.62 15.87 102.39 -131.36 -85.65 7.47 70.07 8.14 21.78 30.40 18.06 23.04 7.97 12.60 0.07 5.03 2.82 11 N C T 104.49 4.33 12.01 17.61 103.77 62.98 -90.44 21.73 78.81 4.48 16.71 25.87 22.13 32.11 5.87 9.62 0.04 2.60 1.77 12 G C C 45.51 5.85 12.11 19.21 102.03 -99.96 79.53 5.88 84.14 4.46 11.40 35.29 25.04 24.85 3.68 6.97 0.01 2.52 1.65 13 R C C 128.15 5.78 12.33 19.71 117.13 125.24 -91.42 140.64 72.11 11.07 16.82 47.79 14.47 9.37 8.57 8.60 0.04 6.43 4.74 14 E C C 123.06 5.28 13.09 19.73 111.96 -123.29 -82.75 132.24 68.38 9.53 22.09 46.05 12.25 9.64 11.19 11.34 0.03 6.48 3.03 15 S C C 56.85 8.83 11.31 21.08 114.63 -137.30 -92.70 136.51 67.00 6.11 26.89 44.45 12.47 10.18 12.19 14.82 0.02 3.87 2.00 16 E C C 131.16 4.24 15.08 20.20 103.26 -140.26 -84.41 10.42 65.26 4.97 29.78 35.63 15.62 14.86 12.06 17.11 0.06 2.89 1.78 17 S C C 53.04 9.72 12.98 23.57 115.37 106.55 -87.97 139.44 68.95 4.57 26.48 38.23 15.69 15.88 8.77 17.13 0.02 2.72 1.56 18 K C C 114.02 8.01 16.27 25.09 106.49 -142.79 -94.14 44.08 75.27 9.24 15.49 44.72 20.51 10.84 4.80 10.30 0.01 6.89 1.94 19 R C C 106.71 11.14 17.65 28.95 121.10 95.12 -105.14 137.65 64.76 30.04 5.20 47.02 12.79 5.10 1.71 3.53 0.01 26.57 3.27 20 L E E 52.34 15.60 17.58 32.89 121.77 -150.69 -106.24 139.73 45.08 54.35 0.57 37.90 5.42 0.99 0.17 0.38 0.00 53.57 1.57 21 G E E 15.93 13.40 21.81 35.17 143.14 156.48 -145.55 171.16 14.01 85.84 0.15 11.37 2.29 0.38 0.04 0.10 0.00 85.34 0.48 22 V E E 31.69 19.47 18.08 36.93 122.83 -93.50 -111.01 136.52 4.41 95.45 0.13 3.88 0.41 0.14 0.06 0.07 0.00 95.21 0.23 23 K E E 93.37 9.73 22.91 32.66 106.41 -157.06 -95.58 14.90 5.10 94.65 0.25 3.59 1.36 0.39 0.10 0.14 0.00 94.26 0.15 24 I E E 38.90 16.62 16.51 33.09 123.79 -19.30 -119.22 132.63 8.89 90.78 0.34 8.08 0.60 0.18 0.18 0.16 0.00 89.98 0.82 25 Y C E 103.87 9.21 17.79 27.79 124.90 -172.54 -123.06 139.10 49.33 45.09 5.58 43.40 3.38 1.75 0.38 5.20 0.00 44.39 1.50 26 G C T 50.15 4.93 16.80 22.71 98.31 -8.69 58.94 50.07 88.67 3.94 7.40 0.98 6.47 82.00 0.06 7.22 0.00 3.00 0.26 27 G C T 50.80 5.24 16.37 22.50 96.72 -27.57 82.24 0.61 91.89 1.69 6.42 1.64 8.06 81.94 0.04 6.71 0.00 1.49 0.12 28 Q C C 85.26 7.60 17.03 26.08 121.13 128.35 -88.83 146.16 87.32 12.62 0.06 71.26 15.13 0.35 0.01 0.08 0.00 12.65 0.52 29 A E E 57.99 9.05 21.13 30.44 118.76 -120.69 -87.16 143.37 15.53 84.47 0.00 15.55 0.33 0.01 0.00 0.00 0.00 80.01 4.10 30 A E E 8.00 23.22 13.25 36.35 126.98 -162.76 -119.52 146.90 3.15 96.85 0.00 3.40 0.02 0.00 0.00 0.00 0.00 93.88 2.69 31 I E E 87.92 4.96 24.25 29.26 122.41 -134.09 -99.11 148.18 42.16 57.83 0.01 43.51 0.39 0.02 0.00 0.01 0.00 53.56 2.51 32 A C T 56.03 11.89 15.60 27.94 109.27 -85.00 -58.42 134.23 99.10 0.79 0.12 0.06 1.12 98.36 0.00 0.07 0.00 0.35 0.04 33 G C T 42.76 5.15 20.68 26.77 95.20 23.28 89.01 -6.02 99.68 0.24 0.08 0.12 1.65 98.00 0.00 0.08 0.00 0.15 0.01 34 N C C 53.92 11.78 20.05 32.28 118.42 122.67 -80.36 143.18 87.86 12.05 0.09 83.90 3.41 0.13 0.01 0.10 0.00 11.99 0.46 35 I E E 43.58 16.99 21.40 37.93 110.57 -118.72 -79.96 123.12 1.50 98.50 0.00 1.56 0.03 0.00 0.00 0.00 0.00 98.02 0.39 36 I E E 9.98 22.82 22.35 44.94 100.66 176.03 -95.11 -33.24 0.57 99.43 0.00 0.42 0.06 0.00 0.00 0.00 0.00 99.51 0.01 37 V E E 6.84 22.80 22.79 45.48 137.29 4.46 -150.96 146.75 0.33 99.67 0.00 0.27 0.02 0.00 0.00 0.00 0.00 99.70 0.01 38 R E E 83.09 13.39 24.74 37.54 122.81 -157.55 -116.33 131.19 3.35 96.64 0.01 2.92 0.23 0.03 0.00 0.01 0.00 96.69 0.12 39 Q E E 34.58 19.66 16.37 35.49 113.06 -140.64 -93.28 125.63 33.44 66.34 0.22 28.30 3.87 0.72 0.04 0.19 0.00 66.06 0.81 40 R C C 125.61 7.39 18.77 26.95 113.50 -164.83 -101.74 119.41 78.16 21.10 0.73 46.45 21.09 10.54 0.09 0.82 0.00 19.64 1.37 41 G C S 42.38 5.54 17.41 23.74 117.83 -1.81 97.76 -165.81 91.40 8.00 0.60 37.04 39.27 15.37 0.06 0.75 0.00 6.49 1.02 42 S C C 54.61 11.17 12.90 24.41 115.57 -64.30 -99.11 147.16 89.94 9.15 0.90 68.93 16.35 4.31 0.14 1.06 0.00 6.79 2.42 43 K C S 146.17 3.36 18.08 22.38 98.03 -147.44 -85.17 -12.17 92.07 7.46 0.47 36.51 51.04 4.85 0.05 0.52 0.00 5.92 1.11 44 H C C 64.93 14.66 14.09 28.65 119.13 72.20 -103.41 131.49 69.72 29.67 0.61 36.90 30.91 2.89 0.16 0.56 0.00 19.04 9.53 45 N C C 86.20 7.40 21.79 29.65 112.66 -151.74 -112.37 110.33 77.08 22.86 0.06 70.56 6.25 0.21 0.02 0.05 0.00 19.35 3.57 46 P C C 36.51 19.69 13.60 32.26 115.40 -137.49 -69.47 148.33 83.99 15.68 0.33 78.41 4.51 1.10 0.10 0.25 0.00 11.12 4.52 47 G C C 22.81 10.06 17.63 28.54 126.04 -122.34 -82.04 173.27 95.21 4.28 0.51 83.23 8.70 3.16 0.10 0.51 0.00 1.98 2.32 48 E C T 151.66 1.79 20.16 21.76 100.74 -72.51 -67.02 7.61 97.41 2.10 0.49 0.94 19.62 77.17 0.02 0.50 0.00 1.45 0.30 49 N C T 60.29 12.56 17.04 29.89 95.13 38.57 -65.26 9.04 97.69 2.12 0.19 1.95 16.85 78.81 0.00 0.25 0.00 2.03 0.10 50 V E E 15.41 22.36 12.91 34.99 124.80 92.65 -109.59 138.85 11.66 88.34 0.01 10.05 1.00 0.03 0.00 0.00 0.00 88.58 0.34 51 Y E E 97.39 6.64 24.93 31.93 134.65 -177.02 -133.21 157.45 0.30 99.70 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.70 0.01 52 I E E 68.24 15.22 15.34 30.35 119.46 -130.28 -107.67 130.79 0.61 99.39 0.00 0.64 0.01 0.00 0.00 0.00 0.00 99.24 0.10 53 S C C 31.88 10.04 12.50 24.17 124.89 -141.14 -85.00 172.86 86.42 13.55 0.02 86.29 0.35 0.06 0.00 0.01 0.00 12.88 0.39 54 K C T 176.61 0.79 14.42 14.65 90.03 -94.06 -62.67 -25.60 98.61 0.46 0.93 0.40 5.67 92.35 0.01 1.19 0.00 0.29 0.10 55 D C T 95.45 3.00 15.75 19.41 93.19 53.87 -89.06 4.87 99.04 0.06 0.90 0.28 4.98 93.53 0.01 1.17 0.00 0.03 0.02 56 H C S 64.37 13.11 14.95 28.72 93.96 -110.58 72.45 21.63 97.05 1.87 1.09 19.95 62.44 14.19 0.05 1.42 0.00 1.66 0.29 57 T C C 21.99 12.77 21.03 35.18 119.73 142.19 -86.07 146.23 50.48 49.51 0.01 51.35 0.45 0.02 0.00 0.00 0.00 47.18 0.99 58 L E E 3.27 25.48 19.18 45.81 115.30 -126.61 -88.79 130.91 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.88 0.02 59 H E E 46.85 12.46 27.07 39.90 128.51 -171.27 -124.36 144.93 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.93 0.00 60 A E E 6.00 23.75 14.71 39.04 113.36 -118.48 -77.62 133.78 8.00 92.00 0.01 8.10 0.10 0.00 0.00 0.00 0.00 91.52 0.27 61 R C S 120.52 6.01 23.22 29.95 95.70 -161.12 -86.12 -20.32 91.47 8.40 0.13 16.39 69.63 5.16 0.01 0.15 0.00 8.38 0.29 62 V C S 57.33 7.03 21.68 29.60 135.53 29.94 -135.31 156.88 91.08 8.80 0.12 2.57 82.94 5.91 0.01 0.11 0.00 8.08 0.38 63 A C C 58.58 7.68 21.41 29.54 113.47 -96.18 -66.90 140.65 92.68 7.20 0.12 55.09 32.28 4.69 0.01 0.16 0.00 7.51 0.27 64 G E E 10.30 10.90 20.90 33.93 143.17 95.04 166.09 -171.90 17.16 82.82 0.01 15.12 1.87 0.10 0.00 0.01 0.00 82.34 0.56 65 V E E 42.91 9.98 24.34 35.66 123.30 -66.58 -116.54 137.74 0.58 99.42 0.00 0.55 0.01 0.00 0.00 0.00 0.00 99.38 0.06 66 V E E 6.71 24.81 15.81 41.30 117.12 -145.23 -100.98 129.53 0.41 99.59 0.00 0.39 0.00 0.00 0.00 0.00 0.00 99.60 0.00 67 K E E 75.35 8.52 25.35 34.22 123.34 -169.44 -117.60 136.64 0.65 99.34 0.00 0.60 0.01 0.00 0.00 0.00 0.00 99.39 0.01 68 F E E 36.26 20.12 14.66 34.35 121.68 -154.85 -108.90 136.53 1.27 98.73 0.00 1.14 0.03 0.00 0.00 0.00 0.00 98.78 0.05 69 Q E E 82.15 6.27 19.70 26.87 127.59 -174.38 -127.51 146.69 1.61 98.38 0.01 1.44 0.07 0.01 0.00 0.00 0.00 98.43 0.06 70 K E E 108.12 8.57 12.69 22.52 116.91 -136.72 -100.27 129.42 9.57 90.36 0.07 8.33 0.83 0.11 0.01 0.04 0.00 90.36 0.31 71 K C C 104.48 6.30 10.79 18.75 117.05 -164.43 -97.59 150.53 56.29 43.12 0.59 49.01 4.19 1.13 0.09 0.48 0.00 44.51 0.59 72 R C T 170.34 1.79 10.56 13.38 113.95 -75.24 -97.45 133.97 62.34 31.35 6.31 10.70 16.24 37.97 0.44 6.15 0.03 26.52 1.96 73 D C T 128.56 0.82 11.93 12.23 97.51 0.90 38.62 33.17 93.69 0.67 5.64 4.72 14.11 73.69 0.23 6.57 0.00 0.46 0.20 74 N C T 121.41 3.03 11.66 16.17 96.28 -57.09 65.25 21.50 93.61 1.15 5.24 10.32 32.51 50.19 0.23 5.70 0.00 0.75 0.30 75 K C E 90.67 6.76 13.23 21.78 121.40 122.89 -105.07 142.28 53.76 46.00 0.25 43.39 7.08 1.68 0.04 0.24 0.00 46.75 0.83 76 S E E 27.84 13.59 14.06 28.84 122.48 -144.19 -107.08 141.89 14.05 85.93 0.02 12.71 0.74 0.07 0.00 0.01 0.00 86.26 0.21 77 Y E E 55.83 11.78 20.59 33.47 128.93 -168.27 -127.32 146.08 1.98 98.02 0.00 1.73 0.11 0.01 0.00 0.00 0.00 98.09 0.05 78 V E E 16.45 20.72 17.80 38.64 122.40 -154.90 -115.89 132.86 0.72 99.28 0.00 0.65 0.03 0.00 0.00 0.00 0.00 99.31 0.01 79 S E E 24.63 10.88 24.33 36.15 126.03 -166.22 -117.47 143.16 1.27 98.73 0.00 1.11 0.05 0.00 0.00 0.00 0.00 98.82 0.02 80 I E E 22.13 21.34 16.69 38.06 120.57 -153.55 -113.40 128.33 2.80 97.20 0.00 2.55 0.12 0.01 0.00 0.00 0.00 97.24 0.08 81 I E E 59.62 8.68 21.63 31.26 119.99 -166.64 -118.35 128.58 7.93 92.06 0.01 7.20 0.42 0.02 0.00 0.00 0.00 92.17 0.19 82 P E E 64.71 9.89 16.53 27.16 114.25 -115.23 -67.30 143.98 19.57 80.22 0.21 16.35 2.51 0.62 0.04 0.18 0.00 79.66 0.65 83 F C C 83.73 12.84 10.73 23.76 112.64 -131.42 -90.32 131.85 82.62 15.62 1.77 65.52 11.41 4.87 0.34 1.67 0.00 14.61 1.59 84 E C C 145.11 1.98 13.48 16.48 114.58 -131.79 -92.69 132.79 91.72 7.07 1.21 87.71 1.27 3.35 0.29 0.74 0.00 5.28 1.37 85 A C C 71.88 6.30 11.35 19.16 111.93 -110.31 -72.88 137.31 99.91 0.07 0.01 99.85 0.06 0.04 0.00 0.00 0.00 0.04 0.01