# 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 120.93 4.46 11.79 17.72 111.78 -151.83 -88.61 129.55 99.87 0.10 0.03 99.80 0.09 0.04 0.01 0.00 0.00 0.04 0.01 1 A C C 68.78 5.05 9.46 16.20 113.80 -149.30 -91.28 138.37 91.46 3.43 5.11 87.72 1.44 3.30 2.52 1.63 0.00 2.02 1.38 2 D C C 97.05 3.46 10.59 15.61 110.47 -139.59 -90.53 116.15 85.59 4.73 9.68 67.68 10.38 7.45 3.55 6.08 0.00 2.98 1.87 3 R C C 142.91 6.17 9.47 17.00 102.11 -163.50 -79.86 -7.13 67.81 3.56 28.63 36.37 12.66 19.35 5.35 22.93 0.01 2.09 1.25 4 N C T 112.75 3.16 12.03 16.45 99.63 64.65 -82.25 1.40 68.00 2.34 29.66 25.76 15.94 27.17 5.07 23.80 0.02 1.28 0.95 5 Q C C 108.59 4.91 12.41 18.78 105.92 77.36 -90.39 64.24 69.27 3.63 27.09 36.69 16.05 16.86 4.64 22.41 0.01 2.22 1.11 6 R C C 111.19 10.30 11.45 22.45 116.66 150.25 -92.15 136.90 83.01 10.22 6.77 58.35 18.84 6.20 2.16 4.49 0.00 8.58 1.38 7 K C C 103.02 7.59 16.77 25.34 117.59 -140.70 -95.17 136.72 66.10 31.05 2.86 53.23 8.93 3.17 0.86 1.86 0.00 30.62 1.34 8 V E E 66.68 12.00 16.64 29.06 120.85 -147.05 -106.95 133.41 38.29 61.26 0.45 33.81 3.42 0.53 0.14 0.26 0.00 60.91 0.93 9 Y E E 40.92 16.58 16.64 33.64 126.20 -170.60 -121.45 142.49 15.48 84.44 0.07 13.94 1.10 0.14 0.02 0.05 0.00 84.08 0.67 10 T E E 64.25 9.22 22.87 32.60 123.67 -156.56 -116.19 137.53 9.84 90.13 0.03 8.71 0.59 0.06 0.01 0.01 0.00 90.37 0.25 11 G E E 9.14 18.65 17.29 35.85 142.14 151.05 -156.08 168.11 5.37 94.61 0.02 4.14 0.79 0.07 0.00 0.01 0.00 94.93 0.06 12 R E E 113.91 6.03 24.62 31.53 125.22 -97.42 -118.19 141.80 1.90 98.09 0.01 1.60 0.12 0.01 0.00 0.00 0.00 98.20 0.05 13 V E E 27.32 21.09 13.37 34.39 110.15 -115.56 -76.07 126.47 2.14 97.85 0.02 1.95 0.08 0.01 0.01 0.01 0.00 97.85 0.10 14 V E E 69.93 6.62 20.57 28.05 102.40 176.22 -101.19 -24.33 7.33 92.57 0.10 5.82 1.23 0.17 0.02 0.07 0.00 92.47 0.21 15 S E E 52.30 6.83 18.92 26.69 136.36 2.20 -148.67 152.41 23.98 75.71 0.31 16.88 6.24 0.98 0.06 0.22 0.00 75.21 0.40 16 D C C 69.83 12.32 12.45 24.92 117.35 -167.27 -123.50 119.66 57.60 41.57 0.83 43.71 9.98 2.43 0.15 0.68 0.00 42.41 0.63 17 K C S 139.36 3.55 15.07 19.67 101.91 144.74 -93.92 1.19 67.85 30.23 1.92 25.45 30.60 12.84 0.25 1.72 0.01 27.79 1.33 18 M C S 93.12 6.28 11.84 19.60 119.77 89.86 -107.83 146.95 67.30 29.35 3.35 24.73 26.47 18.15 0.61 2.81 0.04 21.60 5.61 19 D C T 117.22 2.20 15.64 18.29 97.54 -76.98 -63.17 -15.13 98.36 0.55 1.08 4.28 35.53 58.64 0.09 0.96 0.00 0.35 0.16 20 K C T 109.44 9.16 14.96 24.48 99.37 6.17 -104.87 9.90 98.49 0.86 0.65 2.81 36.14 59.67 0.03 0.58 0.00 0.66 0.11 21 T E E 32.17 11.50 17.49 30.55 130.39 76.63 -129.58 147.79 17.87 82.05 0.07 12.43 5.08 0.55 0.02 0.06 0.00 81.00 0.86 22 I E E 11.57 19.87 17.07 37.79 122.47 -153.34 -116.14 134.17 4.13 95.87 0.00 3.70 0.13 0.01 0.00 0.00 0.00 96.11 0.05 23 T E E 26.04 10.84 24.50 36.76 118.96 -153.30 -109.80 130.34 0.55 99.45 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.51 0.00 24 V E E 5.34 23.35 17.72 41.76 119.87 -164.44 -114.23 129.72 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 25 V E E 33.60 9.71 24.44 35.55 116.78 -154.10 -104.47 127.65 0.11 99.89 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.00 26 V E E 11.09 20.47 16.28 37.24 123.33 -169.77 -119.30 134.01 0.30 99.70 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 27 E E E 74.00 8.58 21.40 30.67 118.67 -150.41 -102.36 132.00 1.30 98.70 0.00 1.13 0.04 0.00 0.00 0.00 0.00 98.81 0.01 28 T E E 26.33 14.26 15.22 30.57 130.79 175.65 -130.03 152.94 2.28 97.72 0.01 2.01 0.09 0.01 0.00 0.00 0.00 97.87 0.02 29 Y E E 106.41 8.40 16.47 26.12 120.50 -137.26 -109.70 133.31 1.93 98.07 0.01 1.65 0.11 0.01 0.00 0.00 0.00 98.19 0.04 30 K E E 87.70 7.95 15.28 24.70 127.78 -174.01 -126.53 144.58 2.23 97.76 0.01 1.88 0.15 0.02 0.00 0.01 0.00 97.90 0.03 31 K E E 123.62 4.64 13.15 19.57 114.79 -119.67 -86.94 131.62 4.09 95.88 0.04 3.67 0.30 0.04 0.01 0.02 0.00 95.39 0.57 32 H C C 59.30 9.71 7.90 19.22 110.42 -141.18 -90.69 119.36 54.61 45.24 0.16 52.49 1.30 0.32 0.04 0.09 0.00 44.68 1.06 33 G C T 60.85 0.99 11.36 12.45 95.72 -144.45 -66.55 -29.82 98.21 0.34 1.45 0.53 3.88 93.90 0.07 1.30 0.00 0.24 0.08 34 L C T 132.76 1.10 10.45 11.86 98.09 46.25 -77.14 -37.90 98.52 0.16 1.32 0.24 3.16 95.30 0.05 1.10 0.00 0.09 0.06 35 Y C T 138.17 2.86 9.73 13.94 101.96 22.70 -105.52 -10.04 98.70 0.25 1.05 0.48 3.27 95.13 0.05 0.87 0.00 0.14 0.06 36 G C C 53.75 2.24 10.95 14.60 96.58 -125.58 74.91 9.94 98.53 1.15 0.31 58.08 7.00 33.40 0.06 0.22 0.00 1.08 0.16 37 K C C 112.90 2.96 11.70 16.42 123.96 127.76 -105.06 150.61 74.59 25.37 0.04 70.55 2.38 0.19 0.01 0.03 0.00 26.47 0.36 38 R E E 140.64 5.94 11.44 19.39 117.24 -122.22 -94.70 134.87 1.73 98.27 0.00 1.56 0.07 0.00 0.00 0.00 0.00 98.22 0.14 39 V E E 50.90 9.24 12.46 23.73 124.95 -170.34 -121.77 141.39 0.52 99.48 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.53 0.00 40 K E E 123.05 6.26 14.27 22.56 119.46 -143.29 -103.46 134.12 0.32 99.68 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 41 Y E E 78.31 10.06 13.64 25.36 129.61 -177.13 -133.12 148.23 0.42 99.58 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.62 0.00 42 S E E 60.75 8.61 14.74 24.81 125.43 -154.54 -119.58 143.27 1.74 98.26 0.00 1.52 0.05 0.00 0.00 0.00 0.00 98.42 0.01 43 K E E 77.67 10.46 15.59 27.17 130.80 -172.55 -135.46 147.06 2.09 97.91 0.00 1.89 0.10 0.01 0.00 0.00 0.00 97.97 0.03 44 K E E 114.25 7.42 18.38 27.13 119.01 -136.92 -103.40 133.42 4.04 95.96 0.00 3.70 0.27 0.01 0.00 0.00 0.00 95.94 0.07 45 F E E 26.82 18.80 15.52 34.57 129.31 -173.43 -126.96 145.90 5.58 94.42 0.00 5.34 0.20 0.01 0.00 0.00 0.00 94.27 0.17 46 K E E 89.16 9.16 24.14 33.77 121.02 -145.52 -103.75 138.91 7.86 92.13 0.00 7.62 0.28 0.02 0.00 0.00 0.00 91.63 0.45 47 A E E 6.00 23.83 16.50 40.44 128.43 -172.86 -123.94 144.89 21.96 78.01 0.03 21.25 0.70 0.05 0.01 0.02 0.00 76.90 1.06 48 H E E 67.97 9.66 23.85 34.03 122.08 -154.45 -115.26 132.98 28.79 71.11 0.10 26.07 2.06 0.19 0.04 0.07 0.00 65.49 6.07 49 D C C 21.26 19.11 13.54 32.37 110.97 -164.66 -115.02 100.07 86.48 13.28 0.24 83.76 2.33 0.51 0.06 0.17 0.00 11.80 1.38 50 E C T 125.28 4.28 17.12 22.83 94.40 -167.71 -68.48 -26.32 96.07 1.57 2.36 20.10 18.28 57.08 0.16 2.86 0.00 1.10 0.42 51 N C T 109.64 2.26 17.76 19.82 95.83 41.25 -93.69 4.87 96.92 0.72 2.36 4.15 29.54 62.98 0.11 2.54 0.00 0.44 0.24 52 N C S 81.67 11.73 13.54 25.92 93.63 -119.52 62.82 34.00 95.40 2.89 1.71 29.99 56.97 8.22 0.16 1.89 0.00 1.73 1.04 53 I C C 91.19 5.54 21.95 27.98 100.28 128.72 -98.79 4.27 92.00 7.66 0.34 86.14 4.58 1.11 0.11 0.24 0.00 3.40 4.43 54 A C C 6.76 24.81 10.82 35.03 123.60 110.33 -101.33 143.35 92.57 7.29 0.14 91.36 2.23 0.26 0.05 0.08 0.00 3.08 2.94 55 K C C 113.46 3.17 25.15 28.62 131.21 -167.16 -127.22 155.90 95.52 4.40 0.08 94.71 1.47 0.19 0.03 0.04 0.00 1.53 2.03 56 T C T 73.99 11.74 16.28 28.33 110.54 -81.00 -59.41 135.30 99.60 0.28 0.11 0.17 1.53 98.04 0.00 0.06 0.00 0.12 0.06 57 G C T 36.95 5.55 20.58 27.29 96.76 26.48 89.51 -7.36 99.90 0.05 0.04 0.25 1.61 98.07 0.00 0.03 0.00 0.03 0.00 58 D C C 27.15 14.99 17.57 33.75 117.94 132.22 -71.51 146.00 96.94 3.06 0.00 95.64 1.48 0.02 0.00 0.00 0.00 2.79 0.07 59 V E E 46.02 11.00 24.38 36.18 116.35 -129.80 -96.66 131.35 0.61 99.39 0.00 0.63 0.01 0.00 0.00 0.00 0.00 99.26 0.11 60 V E E 3.43 25.82 17.09 43.64 130.45 -174.06 -126.74 149.72 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 61 R E E 78.06 9.63 27.11 37.71 118.48 -133.10 -100.17 132.26 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 62 I E E 7.32 24.96 17.12 42.44 120.34 -158.11 -109.28 132.02 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 63 S E E 28.57 10.14 24.23 35.00 135.16 168.89 -133.77 156.46 0.83 99.17 0.00 0.73 0.02 0.00 0.00 0.00 0.00 99.23 0.01 64 E E E 84.60 12.36 18.91 31.10 115.65 -111.67 -81.63 138.00 4.01 95.98 0.01 3.67 0.22 0.02 0.00 0.00 0.00 95.99 0.11 65 T E E 33.52 14.22 13.63 28.43 130.73 -174.72 -127.38 155.73 40.79 59.15 0.06 36.92 2.62 0.16 0.01 0.04 0.00 59.56 0.69 66 R C C 162.11 2.35 17.04 19.91 114.55 -106.87 -90.37 134.71 71.87 27.96 0.17 52.80 17.19 0.97 0.03 0.16 0.00 28.03 0.82 67 P C C 65.88 10.91 8.98 20.40 112.80 -108.12 -68.34 142.46 82.94 16.22 0.84 65.87 12.77 3.80 0.18 0.73 0.00 15.02 1.62 68 L C S 129.56 1.83 11.97 14.64 98.23 -159.46 -81.74 -27.19 90.03 8.92 1.05 29.48 50.22 10.79 0.18 0.98 0.00 6.27 2.08 69 S C S 59.92 2.41 12.81 15.92 134.14 6.82 -143.02 166.28 89.62 9.02 1.36 26.53 51.92 11.50 0.23 1.22 0.00 5.21 3.39 70 A C S 93.42 2.07 11.05 14.49 92.63 -99.97 -66.73 -21.53 97.29 0.73 1.98 4.31 60.06 33.29 0.19 1.50 0.00 0.41 0.25 71 T C S 95.66 2.53 14.25 17.33 101.06 54.66 -91.46 -8.66 95.41 3.03 1.56 6.16 59.13 30.54 0.13 1.27 0.00 2.30 0.47 72 K C C 73.03 11.14 13.82 25.87 116.85 44.09 -106.75 126.82 64.63 34.57 0.80 51.25 9.80 2.87 0.15 0.71 0.00 33.26 1.95 73 H E E 47.99 12.58 18.33 31.97 128.42 -172.55 -124.85 146.38 32.57 67.32 0.10 28.93 2.66 0.27 0.03 0.07 0.00 67.22 0.82 74 F E E 18.69 20.96 17.17 38.27 125.02 -150.72 -115.36 140.81 6.89 93.06 0.05 6.14 0.39 0.03 0.02 0.01 0.00 93.28 0.12 75 R E E 79.62 9.83 25.30 35.60 124.73 -159.99 -120.33 137.70 0.65 99.31 0.04 0.60 0.02 0.00 0.03 0.00 0.00 99.31 0.02 76 L E E 20.45 21.46 15.26 37.05 109.74 -117.63 -74.78 125.67 0.46 99.51 0.03 0.46 0.01 0.00 0.02 0.00 0.00 99.49 0.02 77 L E E 68.46 8.11 20.85 29.90 101.15 176.19 -96.15 -33.98 1.58 98.24 0.19 1.15 0.23 0.04 0.06 0.04 0.00 98.46 0.02 78 E E E 92.32 4.06 23.75 28.16 137.80 -2.13 -151.20 149.97 0.98 98.86 0.15 0.77 0.09 0.02 0.04 0.04 0.00 99.03 0.01 79 V E E 50.22 17.73 12.96 30.08 111.22 -128.09 -88.84 120.94 1.87 97.94 0.19 1.83 0.06 0.02 0.10 0.04 0.00 97.91 0.05 80 V E E 66.21 7.20 17.43 25.99 102.01 177.16 -94.50 -32.19 13.14 86.05 0.81 10.39 2.27 0.38 0.38 0.29 0.00 86.02 0.27 81 E E E 98.94 5.00 18.42 24.52 136.49 -0.82 -149.23 150.22 21.86 76.82 1.32 17.20 4.11 1.15 0.49 0.67 0.00 75.85 0.52 82 E C E 109.83 9.30 13.67 24.09 119.08 -142.35 -99.32 135.74 51.57 45.62 2.82 42.26 5.95 2.45 0.80 1.58 0.00 46.27 0.69 83 A C C 46.00 10.97 11.01 22.76 117.00 -134.72 -91.66 141.79 70.67 26.58 2.76 53.03 11.88 4.27 0.64 1.92 0.00 27.31 0.94 84 V C C 96.73 4.45 11.63 17.91 117.40 -143.59 -103.85 129.50 66.68 31.27 2.05 54.10 8.42 2.75 0.58 1.35 0.00 31.40 1.40 85 I C C 112.03 4.90 9.50 16.33 114.76 -146.21 -97.14 124.83 70.36 28.98 0.67 67.75 1.17 0.83 0.25 0.30 0.00 27.66 2.03 86 I C C 105.70 5.56 10.99 18.31 113.01 -159.10 -96.69 122.54 99.47 0.53 0.00 99.52 0.05 0.01 0.00 0.00 0.00 0.40 0.01