# 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 R C C 163.04 2.83 10.41 14.97 114.47 -152.01 -91.98 131.58 99.89 0.07 0.03 99.81 0.08 0.05 0.01 0.00 0.00 0.03 0.01 1 K C C 148.27 2.51 8.10 12.47 113.46 -133.90 -89.95 131.79 85.90 5.11 8.99 81.16 1.38 4.68 4.42 3.11 0.00 3.44 1.81 2 K C C 149.18 2.31 7.82 11.89 112.86 -146.70 -91.56 128.30 79.53 9.23 11.24 59.60 11.85 8.11 4.82 6.29 0.01 7.08 2.24 3 K C C 144.56 2.64 8.65 13.00 112.69 -150.32 -94.28 124.90 74.21 13.65 12.14 56.01 11.59 6.37 5.54 6.73 0.01 10.62 3.13 4 V C C 102.80 3.71 8.88 14.24 111.20 -159.65 -96.41 113.19 73.60 15.21 11.19 55.09 11.72 6.28 5.73 5.69 0.01 11.49 3.98 5 Y C C 143.31 4.88 8.26 14.74 110.53 65.52 -92.62 103.27 80.45 11.43 8.12 58.34 13.47 8.30 4.04 4.16 0.01 8.29 3.38 6 T C C 102.14 2.51 10.42 14.20 104.89 78.98 -97.60 14.36 87.56 7.82 4.62 57.23 23.99 6.60 2.35 2.27 0.00 5.03 2.53 7 T C C 85.41 3.86 9.33 15.04 118.17 105.72 -102.12 135.37 94.45 4.28 1.27 58.10 35.67 1.29 0.90 0.41 0.00 2.41 1.22 8 P C C 87.19 4.93 9.00 15.80 113.33 -107.53 -67.32 148.75 87.17 3.49 9.34 70.34 10.16 6.67 5.71 3.62 0.00 2.52 0.99 9 K C C 150.42 2.43 9.81 13.85 112.35 -125.79 -87.49 135.78 74.12 10.26 15.62 49.44 16.51 8.14 9.66 6.11 0.02 7.56 2.55 10 K C C 149.89 2.40 9.66 13.71 113.18 -121.28 -90.66 129.05 63.95 18.82 17.23 47.23 10.46 5.50 11.65 6.17 0.05 14.56 4.38 11 I C C 99.33 5.92 7.34 14.93 115.56 -153.27 -99.07 128.19 67.64 17.66 14.70 57.23 6.23 3.29 11.22 3.91 0.02 15.04 3.06 12 K C C 151.47 1.88 10.15 13.23 111.81 -158.02 -94.72 120.75 68.54 16.51 14.96 51.99 10.23 5.34 11.89 3.90 0.04 13.52 3.10 13 H C C 120.80 4.24 7.50 13.53 113.42 -158.27 -97.37 123.76 73.45 12.17 14.38 54.80 11.10 6.73 10.98 4.13 0.03 9.34 2.91 14 K C C 151.02 2.05 9.30 12.65 103.50 -155.25 -81.74 -5.13 75.30 6.15 18.55 39.28 16.61 19.74 12.50 6.03 0.03 4.27 1.54 15 H C C 137.44 2.59 8.27 12.37 107.18 50.07 -91.10 64.61 77.86 4.95 17.19 34.94 18.94 24.90 10.13 6.50 0.04 3.09 1.46 16 K C C 142.04 2.94 8.80 13.48 107.06 92.15 -88.66 72.27 78.97 6.28 14.75 42.28 19.10 18.10 8.47 6.11 0.02 4.23 1.69 17 K C C 155.52 1.90 10.51 13.54 106.63 55.96 -87.68 84.96 77.12 12.04 10.84 46.16 18.19 12.83 7.17 3.89 0.02 9.52 2.23 18 V C C 75.94 7.18 8.69 17.52 118.72 134.80 -104.39 136.25 70.49 20.16 9.35 52.20 13.40 4.41 7.07 2.67 0.01 17.16 3.07 19 K C C 144.97 2.76 13.92 18.00 113.19 -136.58 -90.82 128.25 66.59 24.07 9.34 53.31 8.19 3.94 6.87 2.62 0.01 22.30 2.75 20 L C C 72.75 11.99 10.70 23.08 119.95 -155.33 -101.14 137.20 60.90 27.94 11.16 51.43 5.76 2.74 7.88 3.18 0.01 25.69 3.32 21 A C C 52.52 7.12 16.15 24.47 114.47 -133.48 -88.99 136.77 55.75 32.46 11.79 46.74 5.57 2.84 7.85 3.84 0.01 28.62 4.53 22 V C C 63.08 12.75 13.46 26.41 114.42 -136.99 -90.72 128.78 40.41 27.97 31.62 31.87 5.55 4.57 11.90 18.60 0.03 24.67 2.82 23 L C G 86.74 8.00 16.40 25.10 101.21 -160.21 -87.04 -29.00 39.16 22.01 38.83 19.21 11.10 12.57 8.87 27.45 0.07 19.14 1.59 24 S C G 46.13 8.47 18.19 27.62 132.64 1.99 -140.61 149.63 42.02 23.41 34.57 20.62 10.73 13.50 5.80 26.41 0.02 21.92 1.00 25 Y C C 78.19 13.25 15.18 28.95 123.06 -163.48 -114.92 137.94 56.39 36.39 7.22 41.88 10.69 3.79 1.57 5.11 0.00 35.95 1.01 26 Y E E 60.75 12.87 14.17 28.10 129.45 -172.73 -121.46 151.50 11.73 88.19 0.09 10.90 0.78 0.09 0.03 0.05 0.00 87.55 0.59 27 K E E 111.50 5.20 17.95 24.45 124.69 -145.92 -114.75 145.35 1.50 98.50 0.01 1.45 0.08 0.01 0.00 0.00 0.00 98.40 0.05 28 V E E 63.56 11.16 9.79 21.91 117.56 -127.79 -99.95 132.48 2.12 97.88 0.01 2.11 0.07 0.00 0.00 0.00 0.00 95.75 2.05 29 D C C 59.21 4.43 10.82 17.30 124.50 -140.03 -86.33 175.65 96.99 2.99 0.02 97.34 0.22 0.05 0.00 0.01 0.00 2.04 0.34 30 A C T 105.71 0.48 9.24 9.58 89.67 -90.33 -63.27 -21.88 99.52 0.16 0.32 0.29 2.56 96.73 0.01 0.29 0.00 0.11 0.02 31 E C T 157.88 0.48 10.82 9.94 92.47 53.83 -88.14 0.54 99.63 0.05 0.32 0.13 2.39 97.16 0.00 0.28 0.00 0.02 0.01 32 G C S 40.31 6.11 9.72 17.68 95.91 -105.95 83.63 7.47 99.42 0.32 0.26 14.11 84.61 0.82 0.02 0.18 0.00 0.16 0.11 33 K C C 117.74 2.29 14.66 17.81 118.77 136.95 -84.99 143.42 96.35 3.63 0.02 95.47 1.54 0.05 0.00 0.01 0.00 2.31 0.62 34 V E E 58.29 14.21 9.42 23.62 115.25 -126.29 -92.70 129.63 1.22 98.78 0.00 1.28 0.03 0.00 0.00 0.00 0.00 97.84 0.85 35 T E E 69.34 4.62 17.56 23.37 125.24 -172.52 -122.46 144.00 0.97 99.03 0.00 0.96 0.05 0.00 0.00 0.00 0.00 98.94 0.05 36 K E E 105.88 10.55 13.07 24.40 111.73 -118.34 -78.85 126.68 6.54 93.44 0.03 6.13 0.45 0.06 0.00 0.02 0.00 92.75 0.58 37 L C C 72.83 8.51 15.36 25.19 102.00 -172.40 -92.35 -24.80 65.98 33.86 0.16 49.72 13.26 0.94 0.02 0.17 0.00 35.51 0.39 38 R C C 101.15 10.46 15.65 26.59 128.02 -0.40 -139.87 142.10 62.72 37.15 0.14 49.33 11.11 0.96 0.02 0.16 0.00 37.66 0.76 39 R E E 113.11 9.96 17.09 27.88 125.29 -164.07 -118.16 138.14 44.59 55.32 0.09 41.86 2.47 0.22 0.02 0.06 0.00 54.12 1.25 40 E E E 96.99 9.11 18.08 27.87 120.59 -142.31 -100.07 142.76 15.48 84.45 0.07 13.63 0.77 0.03 0.07 0.02 0.00 50.09 35.39 41 C C C 18.82 18.44 9.55 27.71 114.67 -115.77 -78.73 137.15 83.16 16.80 0.04 82.33 1.66 0.11 0.01 0.03 0.00 13.83 2.03 42 S C S 90.85 1.58 18.27 19.49 93.65 -141.69 -79.50 -12.60 98.42 1.56 0.03 42.57 55.34 0.81 0.00 0.03 0.00 0.97 0.29 43 N C S 63.61 7.72 11.24 20.90 119.08 87.52 -96.90 137.47 97.69 2.17 0.14 10.75 85.63 1.48 0.03 0.07 0.00 0.72 1.32 44 P C T 118.19 1.81 13.63 16.59 91.43 -135.77 -64.58 -21.71 98.10 0.33 1.57 1.07 17.17 79.67 0.05 1.72 0.00 0.21 0.11 45 T C T 102.44 2.31 16.38 19.13 94.25 58.46 -85.57 -12.29 96.89 0.96 2.15 1.91 15.84 79.00 0.12 2.20 0.00 0.66 0.28 46 C C C 23.82 18.07 10.05 27.23 112.00 69.78 -95.82 109.32 84.02 12.68 3.30 43.45 27.31 11.07 0.61 2.85 0.01 3.28 11.41 47 G C C 27.14 6.68 18.92 26.52 126.94 -145.80 69.84 -169.55 94.50 4.17 1.33 78.20 10.31 5.29 0.25 1.26 0.00 1.77 2.92 48 A C T 71.76 6.00 19.30 25.96 104.97 -50.82 -64.36 130.74 96.84 1.77 1.40 2.20 9.36 85.19 0.10 1.42 0.00 1.12 0.60 49 G C T 29.36 10.41 20.01 30.63 95.38 33.50 77.24 -2.49 97.61 1.20 1.19 4.12 10.12 82.94 0.04 1.60 0.00 1.04 0.14 50 V C C 23.00 17.52 17.32 35.37 118.64 118.88 -86.22 137.78 66.48 33.31 0.21 60.19 5.31 0.30 0.04 0.18 0.00 32.21 1.77 51 F E E 43.60 14.40 23.55 37.93 129.58 -166.44 -121.74 147.98 9.51 90.47 0.02 9.08 0.42 0.03 0.01 0.01 0.00 88.78 1.67 52 L E E 30.58 18.43 20.22 38.26 117.43 -122.78 -93.26 136.34 4.25 95.74 0.00 4.24 0.09 0.01 0.00 0.00 0.00 95.55 0.11 53 A E E 17.30 14.85 18.85 34.53 131.11 -175.05 -129.37 153.57 1.67 98.32 0.01 1.52 0.09 0.01 0.00 0.00 0.00 98.33 0.05 54 N E E 83.10 8.71 16.84 26.55 117.30 -127.42 -101.52 131.03 3.89 96.08 0.02 3.21 0.51 0.06 0.00 0.01 0.00 95.96 0.23 55 H E E 75.07 10.07 11.16 22.47 120.99 174.50 -131.21 124.57 38.00 61.88 0.12 33.74 3.33 0.42 0.02 0.10 0.00 61.70 0.70 56 K C T 171.03 0.89 14.03 14.23 98.95 -37.98 52.65 -35.29 98.64 1.09 0.27 1.88 37.22 59.60 0.01 0.30 0.00 0.89 0.10 57 D C T 125.55 1.66 13.05 15.36 96.78 -28.49 -73.11 10.62 99.05 0.75 0.20 1.91 35.55 61.62 0.00 0.22 0.00 0.63 0.06 58 R E E 97.30 7.78 13.39 22.90 129.32 88.13 -121.40 148.52 27.11 72.86 0.03 22.23 3.56 0.23 0.00 0.03 0.00 73.60 0.35 59 L E E 55.65 12.68 15.44 29.16 118.98 -146.39 -108.13 131.02 2.75 97.25 0.00 2.41 0.13 0.01 0.00 0.00 0.00 97.39 0.06 60 Y E E 60.08 11.54 20.18 32.81 130.54 -175.60 -130.71 147.30 1.16 98.84 0.00 0.98 0.05 0.00 0.00 0.00 0.00 98.86 0.10 61 C E E 22.67 17.04 16.55 34.04 125.71 -153.33 -119.75 139.92 18.39 81.56 0.04 15.48 1.96 0.18 0.01 0.03 0.00 82.02 0.32 62 G C T 25.92 9.75 20.24 30.06 124.78 26.37 87.34 -154.85 82.92 12.47 4.61 9.29 35.09 38.82 0.26 4.47 0.01 10.93 1.14 63 K C T 130.49 5.30 20.05 26.27 93.66 -34.46 -72.33 -20.94 91.05 4.24 4.72 4.79 32.71 53.66 0.27 4.61 0.00 3.09 0.87 64 C C T 38.38 14.62 15.84 30.60 98.68 52.38 -98.35 1.65 83.79 12.18 4.02 11.78 26.02 46.17 0.32 4.01 0.01 10.12 1.58 65 H C C 74.25 14.95 16.51 30.69 116.35 113.27 -98.58 129.52 58.12 40.05 1.83 40.02 12.82 5.98 0.44 1.60 0.01 35.61 3.53 66 S E E 45.65 9.69 19.17 29.49 117.97 -156.43 -97.43 136.39 44.44 54.87 0.69 37.69 4.66 1.35 0.19 0.52 0.00 54.07 1.53 67 V E E 70.05 12.98 14.83 27.95 122.83 -161.81 -116.36 136.21 24.38 75.25 0.37 20.99 2.42 0.52 0.13 0.24 0.00 74.53 1.17 68 Y E E 108.47 8.45 15.56 25.29 124.57 -169.45 -121.16 140.23 12.76 86.94 0.30 11.37 1.00 0.29 0.14 0.18 0.00 85.84 1.19 69 K E E 125.29 6.31 13.64 21.57 117.09 -147.13 -99.35 132.47 13.81 85.82 0.37 12.36 0.94 0.32 0.18 0.20 0.00 84.53 1.48 70 V E E 76.49 8.21 9.90 19.53 118.60 -162.77 -109.18 131.61 33.39 65.87 0.74 28.43 3.48 1.19 0.31 0.45 0.00 63.95 2.20 71 N C C 126.93 1.69 11.31 14.15 112.53 -132.43 -90.04 121.99 63.19 36.24 0.57 58.35 1.67 1.48 0.17 0.33 0.00 36.13 1.87 72 A C C 75.67 5.12 10.26 16.87 106.43 -138.71 -83.06 91.38 99.78 0.21 0.01 99.69 0.10 0.04 0.00 0.00 0.00 0.16 0.01