# 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 S C C 69.95 5.66 12.35 19.44 115.44 -160.19 -100.18 135.74 99.21 0.54 0.25 98.95 0.25 0.18 0.16 0.03 0.00 0.29 0.13 1 A C C 74.58 4.38 9.73 15.66 110.14 -136.28 -88.45 119.04 76.56 4.31 19.13 67.56 2.31 6.35 16.05 3.35 0.00 2.46 1.92 2 E C C 138.90 2.34 9.51 13.29 107.45 63.58 -85.06 84.21 67.48 6.28 26.23 45.09 11.25 10.99 20.79 5.79 0.04 3.77 2.28 3 S C C 78.15 3.13 9.45 14.14 110.78 67.37 -88.05 123.31 64.08 5.44 30.48 38.44 12.29 13.80 23.37 6.88 0.07 3.31 1.84 4 G C C 46.68 3.91 10.35 15.72 105.63 28.68 37.68 -14.05 61.70 4.88 33.42 33.40 15.18 14.57 24.98 7.26 0.11 2.73 1.77 5 K C C 131.70 3.35 10.22 15.00 105.25 79.18 -82.72 30.00 55.09 6.26 38.65 34.45 12.50 9.73 30.33 6.98 0.12 3.36 2.54 6 N C C 98.88 3.64 10.00 15.08 106.01 60.70 -84.46 72.19 56.10 4.69 39.21 38.60 8.65 9.52 29.36 9.22 0.04 2.77 1.83 7 E C H 138.25 2.67 9.40 13.56 99.17 56.62 -74.79 -12.65 54.96 3.55 41.49 26.05 10.36 20.00 29.03 10.89 0.13 1.94 1.61 8 K C T 151.26 1.73 10.33 12.92 100.30 62.28 -84.82 4.02 70.56 1.68 27.76 18.10 13.01 39.19 18.89 8.93 0.06 0.90 0.92 9 G C C 57.04 2.01 11.06 14.15 102.40 -95.65 82.40 8.62 90.96 1.94 7.10 34.44 22.95 33.94 3.23 3.53 0.00 1.01 0.91 10 L C C 98.12 4.40 8.43 14.84 118.22 125.72 -91.36 137.75 96.73 3.01 0.26 61.15 35.23 0.52 0.11 0.11 0.00 1.06 1.80 11 P C C 92.89 2.65 11.34 15.43 115.35 -105.86 -67.74 150.33 98.86 1.01 0.13 94.93 3.64 0.34 0.04 0.06 0.00 0.48 0.50 12 P C C 99.69 3.56 9.80 15.37 112.16 -101.11 -65.93 147.74 98.15 1.37 0.48 86.10 9.84 1.88 0.15 0.31 0.00 0.45 1.28 13 N C C 106.15 3.69 9.16 14.67 111.31 -109.85 -86.93 123.89 98.20 1.02 0.78 84.54 11.87 1.63 0.29 0.46 0.00 0.41 0.79 14 P C C 99.90 3.08 8.77 13.76 108.85 -130.29 -68.20 143.18 82.57 1.62 15.81 60.51 8.63 11.93 2.48 14.77 0.00 0.83 0.83 15 K C C 158.44 1.57 8.90 11.56 108.04 -101.93 -81.05 113.28 80.54 2.67 16.80 51.43 14.18 14.42 2.68 14.61 0.00 1.34 1.32 16 K C C 151.92 2.12 8.44 12.24 109.59 -128.70 -89.64 113.30 80.65 4.40 14.96 57.85 13.75 8.55 2.85 12.48 0.00 2.25 2.27 17 Q C C 131.03 2.66 7.69 12.33 113.38 -146.60 -91.42 130.76 92.07 4.04 3.89 74.63 13.77 3.05 1.74 2.10 0.00 1.63 3.09 18 S C C 85.73 1.95 8.37 12.06 117.00 -127.44 -95.56 139.24 98.14 1.41 0.45 83.72 13.91 0.50 0.25 0.16 0.00 0.56 0.90 19 P C C 105.90 2.02 8.46 12.24 115.60 -104.24 -70.79 148.82 98.77 0.49 0.75 93.32 4.53 0.98 0.39 0.29 0.00 0.23 0.26 20 P C C 107.06 2.34 7.62 11.98 113.36 -102.24 -67.93 145.63 96.84 0.93 2.23 89.08 4.65 3.11 0.85 1.27 0.00 0.40 0.65 21 K C C 165.20 1.21 8.36 10.81 112.32 -119.45 -85.58 133.51 95.10 2.40 2.50 77.06 15.13 2.40 1.14 1.31 0.00 0.80 2.15 22 K C C 160.10 1.41 8.18 11.12 116.16 -115.62 -87.62 135.97 97.83 1.27 0.90 80.32 16.91 0.68 0.57 0.32 0.00 0.57 0.64 23 P C C 103.02 2.59 6.89 11.61 113.88 -108.43 -68.03 147.04 96.29 1.75 1.95 92.94 2.25 1.32 0.86 0.86 0.00 0.75 1.03 24 V C C 127.29 1.17 7.44 9.88 112.21 -118.18 -84.38 136.77 95.41 2.11 2.48 89.20 4.22 1.87 1.20 1.15 0.00 0.91 1.45 25 S C C 93.90 1.22 7.56 10.13 114.13 -108.30 -87.94 138.20 96.78 1.56 1.67 86.73 7.47 2.45 0.68 0.91 0.00 0.74 1.01 26 A C C 90.58 1.51 7.48 10.57 114.62 -110.24 -79.62 145.81 97.20 1.73 1.08 87.73 7.76 1.49 0.44 0.59 0.00 0.71 1.28 27 A C C 88.06 1.69 7.61 11.08 116.10 -105.81 -76.74 145.20 98.72 1.01 0.27 91.37 6.95 0.39 0.12 0.12 0.00 0.44 0.61 28 P C C 107.74 1.91 7.94 11.66 114.43 -102.50 -67.20 147.52 98.73 0.87 0.39 95.20 2.83 0.76 0.14 0.18 0.00 0.36 0.52 29 T C C 115.67 1.29 8.02 10.73 110.89 -113.07 -80.08 141.35 97.98 1.55 0.47 87.73 9.05 0.94 0.19 0.26 0.00 0.56 1.28 30 E C C 143.68 1.87 7.92 11.55 115.66 -106.82 -88.33 137.85 98.56 1.09 0.35 88.06 10.08 0.45 0.19 0.15 0.00 0.48 0.59 31 P C C 108.76 1.88 8.84 12.30 111.58 -110.81 -69.02 145.89 96.56 1.76 1.68 89.16 4.34 3.03 0.57 1.01 0.00 0.82 1.07 32 F C C 133.87 4.97 6.65 13.31 113.76 -114.37 -91.63 133.63 92.76 4.56 2.68 79.16 7.95 4.62 1.03 1.62 0.00 1.73 3.88 33 D C C 115.03 1.78 9.85 12.80 110.31 -151.99 -98.65 111.47 92.71 3.81 3.47 70.95 15.37 5.89 1.40 2.08 0.00 1.67 2.64 34 N C C 108.00 3.85 7.79 13.42 108.07 -163.93 -97.74 80.91 87.72 2.93 9.36 57.18 19.09 11.34 4.19 5.00 0.00 1.38 1.81 35 T C C 110.34 1.51 9.49 11.93 100.31 115.68 -90.21 -2.87 79.95 2.42 17.62 34.47 22.06 24.19 8.37 8.46 0.01 1.22 1.22 36 T C C 101.61 1.90 9.75 12.83 107.48 87.55 -96.57 24.69 74.17 5.30 20.53 33.16 20.26 21.84 10.56 9.00 0.07 2.77 2.35 37 Y C C 132.42 5.64 6.92 14.11 113.79 111.77 -91.66 129.79 69.19 7.86 22.95 49.20 11.05 8.51 13.54 9.53 0.03 4.38 3.77 38 K C C 147.56 2.02 10.77 14.11 113.53 -163.38 -98.07 130.13 64.01 8.47 27.52 39.76 13.38 11.14 16.62 10.61 0.08 4.79 3.61 39 N C C 96.22 3.94 9.89 15.33 108.02 -66.60 -89.75 91.61 64.56 8.04 27.39 40.31 13.30 11.47 13.79 13.10 0.07 4.24 3.72 40 L H G 101.57 4.92 9.09 15.75 96.59 -170.64 -74.21 -15.11 46.75 3.78 49.47 24.88 8.33 14.82 13.30 35.11 0.01 2.50 1.04 41 Q C G 127.49 2.43 10.24 14.07 96.82 74.13 -75.71 -12.89 49.35 3.24 47.41 15.16 9.61 25.84 11.54 34.70 0.05 2.12 0.97 42 H C G 139.41 2.31 10.60 13.99 102.27 56.37 -96.37 13.39 53.35 5.01 41.64 22.79 11.66 21.42 7.82 31.57 0.04 3.09 1.62 43 H C C 101.33 6.09 8.39 16.31 117.94 115.28 -97.13 136.09 80.67 11.67 7.66 55.41 18.95 5.68 3.78 4.00 0.05 5.72 6.40 44 D C C 108.37 2.35 11.17 14.90 110.85 -142.76 -96.54 113.87 82.89 13.70 3.41 69.81 7.41 4.51 1.70 1.76 0.00 6.94 7.86 45 Y C C 134.19 5.79 8.25 15.68 103.47 173.43 -100.50 16.13 83.66 9.17 7.17 58.48 13.29 11.21 4.13 3.10 0.02 4.64 5.13 46 S C T 82.85 2.22 10.11 13.57 105.65 107.72 -82.88 -18.22 87.96 1.92 10.12 18.87 34.55 35.10 5.91 3.66 0.01 1.05 0.85 47 T C S 110.03 1.25 11.87 13.06 100.27 34.25 -91.53 -13.61 83.27 3.05 13.68 13.42 37.69 33.13 8.51 4.18 0.05 1.65 1.36 48 Y C C 109.81 5.88 9.33 17.05 121.50 61.21 -114.22 137.89 69.64 18.31 12.05 35.80 25.15 8.40 8.57 3.74 0.12 8.32 9.89 49 T C C 62.37 4.19 12.38 18.15 121.73 -143.22 -91.54 159.86 73.73 13.83 12.44 65.86 5.51 1.89 11.76 1.35 0.00 7.33 6.29 50 F H H 124.50 5.21 11.68 18.60 92.35 -111.08 -60.15 -36.74 15.79 1.56 82.65 7.26 3.32 7.16 74.92 5.64 0.18 1.07 0.45 51 L H H 103.94 2.20 13.81 16.39 92.24 53.99 -64.82 -39.13 11.64 1.01 87.35 4.19 1.95 6.23 78.73 7.69 0.19 0.75 0.25 52 D H H 72.82 3.83 13.42 18.52 92.32 50.50 -67.10 -37.72 9.63 1.05 89.32 3.69 1.65 4.92 77.98 10.62 0.11 0.83 0.20 53 L H H 69.30 6.87 11.53 20.01 92.51 52.12 -66.32 -38.31 14.26 1.48 84.26 5.63 2.64 6.95 74.57 8.67 0.15 0.93 0.46 54 N H H 90.88 3.49 13.72 18.26 93.00 52.19 -69.19 -32.97 29.01 1.88 69.11 13.87 4.65 11.52 62.21 5.74 0.08 1.17 0.75 55 L H H 93.57 2.71 13.24 16.58 94.72 57.57 -68.85 -37.71 27.77 2.09 70.14 13.83 5.07 10.03 59.71 9.12 0.10 1.22 0.91 56 D H H 81.90 3.56 13.74 18.21 94.77 52.65 -70.23 -33.23 28.75 2.33 68.91 14.17 4.44 11.18 56.85 10.91 0.08 1.48 0.88 57 L H H 78.42 7.22 10.50 19.10 93.51 59.20 -70.65 -28.03 24.84 1.68 73.48 10.69 4.34 10.37 54.01 18.84 0.11 0.99 0.65 58 S H H 74.05 3.07 12.05 16.58 92.22 65.53 -67.69 -24.31 31.32 1.45 67.23 10.00 4.36 15.86 42.52 25.73 0.12 0.89 0.53 59 K H T 152.53 1.44 13.55 14.88 94.53 57.91 -78.47 -13.80 49.23 1.22 49.55 8.56 6.43 32.06 28.68 22.81 0.12 0.71 0.63 60 F C T 109.40 6.77 10.11 18.29 106.12 56.61 -101.26 39.32 62.71 3.51 33.78 21.51 12.59 29.10 16.66 16.58 0.09 2.02 1.44 61 R C C 151.26 3.81 12.29 17.96 117.61 125.66 -89.94 138.41 79.41 18.29 2.30 64.88 10.89 2.21 1.51 0.91 0.00 9.54 10.05 62 M C C 103.65 6.81 10.60 19.02 117.03 -138.82 -96.11 136.55 82.20 17.44 0.37 72.98 8.51 0.55 0.19 0.19 0.00 13.84 3.73 63 P C C 83.33 4.62 12.04 18.31 114.20 -108.08 -66.80 148.26 72.78 26.62 0.60 64.12 7.00 0.77 0.32 0.32 0.00 15.64 11.84 64 Q C C 105.34 5.19 9.58 16.68 115.59 -123.04 -90.80 135.57 88.90 10.46 0.64 79.94 7.59 0.69 0.30 0.32 0.00 4.85 6.31 65 P C T 92.48 3.78 9.28 14.84 105.67 -111.85 -65.47 150.74 72.30 2.27 25.43 21.19 10.86 37.49 1.64 26.76 0.00 1.39 0.67 66 S C T 95.42 1.27 9.06 11.12 99.22 -25.95 -78.49 -6.69 70.56 2.50 26.94 11.89 12.69 43.77 1.56 27.76 0.01 1.45 0.88 67 S C T 83.79 1.89 9.15 12.05 100.54 56.79 -87.62 0.05 69.59 2.17 28.24 12.85 16.93 37.60 1.43 29.13 0.01 1.19 0.87 68 G C C 58.65 1.86 9.43 12.73 100.62 -109.72 79.98 7.11 91.13 3.42 5.46 32.98 27.40 30.63 0.77 5.03 0.00 1.88 1.31 69 R C C 148.42 2.44 9.13 13.48 118.07 131.31 -90.29 143.22 85.25 12.44 2.31 61.64 18.67 4.33 0.71 1.78 0.00 7.26 5.61 70 E C C 144.04 2.05 11.21 14.72 113.24 -108.24 -75.33 142.46 77.05 20.82 2.13 60.25 11.97 2.81 0.90 1.32 0.00 9.33 13.41 71 S C C 57.72 7.64 7.44 16.41 116.81 -112.94 -81.96 143.44 92.92 5.68 1.39 71.77 17.38 3.45 0.32 1.30 0.00 3.71 2.08 72 P C C 99.22 3.35 9.99 14.95 104.67 -111.98 -73.00 110.66 92.59 3.60 3.81 53.43 16.13 22.80 0.53 3.74 0.00 2.35 1.01 73 R C C 169.03 2.42 8.56 12.69 109.40 -144.20 -90.87 94.45 92.14 4.22 3.63 71.14 4.22 17.06 0.85 2.37 0.00 2.82 1.54 74 H C C 132.83 4.07 9.83 15.68 112.69 -151.32 -94.27 124.10 98.92 0.98 0.10 98.64 0.32 0.16 0.03 0.03 0.00 0.63 0.18