# 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 121.65 4.11 9.84 15.83 118.67 -147.89 -95.16 138.52 99.96 0.04 0.00 99.83 0.13 0.01 0.00 0.00 0.00 0.01 0.00 1 P C C 100.96 2.69 9.03 13.57 114.31 -105.64 -68.38 148.80 99.01 0.54 0.45 97.73 0.30 1.28 0.12 0.15 0.00 0.23 0.20 2 K C C 163.48 1.44 8.09 11.12 114.59 -117.29 -84.72 137.11 92.37 6.12 1.51 82.01 7.25 2.78 0.51 0.92 0.00 2.94 3.58 3 M C C 137.27 2.98 7.15 12.23 114.77 -126.04 -87.53 135.50 88.56 9.58 1.86 78.82 7.44 1.97 0.78 1.01 0.00 5.73 4.24 4 K C C 152.31 1.97 9.66 13.16 118.21 -144.05 -101.14 137.93 86.75 10.57 2.69 77.03 7.28 2.13 1.50 1.12 0.00 6.14 4.80 5 T C C 88.68 5.22 8.71 15.81 117.43 -134.03 -95.12 141.02 86.91 7.38 5.71 67.84 14.73 4.20 3.94 1.95 0.00 4.24 3.10 6 H C C 115.97 5.08 10.44 17.03 109.97 -132.36 -89.57 116.38 86.96 3.83 9.21 70.93 11.10 4.41 7.63 2.11 0.00 1.99 1.81 7 R H H 162.26 2.79 12.37 16.44 96.70 -151.51 -68.87 -31.26 40.96 1.37 57.66 22.38 8.06 11.90 43.10 13.17 0.04 0.70 0.66 8 G H H 40.32 3.54 12.89 17.68 94.02 56.39 -65.60 -37.04 33.79 0.72 65.48 10.43 6.32 16.66 46.00 19.80 0.06 0.40 0.34 9 A H H 43.74 8.38 11.46 21.37 93.77 53.77 -69.15 -30.98 22.77 0.84 76.40 8.17 4.07 9.81 51.23 25.88 0.05 0.50 0.29 10 A H H 52.55 8.38 12.15 21.81 93.85 65.54 -65.55 -30.55 23.89 1.23 74.89 9.24 4.34 9.77 49.08 26.39 0.06 0.73 0.39 11 K H H 143.22 2.43 16.25 19.12 94.16 60.80 -77.35 -11.23 42.06 2.05 55.90 13.45 7.69 20.30 34.67 21.78 0.12 1.24 0.74 12 R C C 122.13 6.67 14.65 22.31 96.53 64.41 -89.34 -10.71 58.83 6.92 34.25 22.42 15.39 22.39 18.94 14.13 0.18 4.89 1.67 13 V E E 50.19 14.33 10.03 24.39 122.69 85.52 -106.17 137.33 42.80 54.60 2.60 34.58 6.51 1.83 1.66 1.23 0.02 50.57 3.60 14 K E E 119.94 3.53 16.63 21.50 126.46 -169.48 -123.18 146.14 17.17 82.35 0.48 15.68 1.22 0.30 0.31 0.19 0.00 81.58 0.72 15 R E E 145.40 5.61 11.02 18.68 115.44 -123.36 -89.61 131.27 7.00 92.87 0.13 6.28 0.33 0.05 0.15 0.03 0.00 72.78 20.39 16 T C C 52.89 6.22 8.26 16.58 123.16 -139.33 -85.20 169.66 94.75 5.18 0.07 95.00 0.44 0.10 0.02 0.02 0.00 3.72 0.70 17 A C T 106.46 0.36 9.50 9.04 90.43 -95.32 -62.71 -24.77 98.73 0.62 0.64 1.25 6.64 90.89 0.05 0.60 0.00 0.49 0.09 18 S C T 91.75 0.72 10.06 10.36 93.27 56.82 -86.77 -2.18 99.20 0.09 0.70 0.67 6.00 92.51 0.04 0.70 0.00 0.05 0.03 19 G C S 45.39 3.87 10.50 16.18 98.00 -103.41 87.56 5.91 99.38 0.24 0.37 11.12 86.77 1.63 0.03 0.25 0.00 0.12 0.08 20 Q C C 96.11 3.65 12.31 17.73 119.53 131.70 -84.28 147.84 95.88 4.04 0.08 90.63 5.43 0.22 0.03 0.04 0.00 2.75 0.90 21 L E E 72.85 10.24 10.53 22.08 116.09 -122.30 -90.19 134.30 2.21 97.78 0.01 2.17 0.10 0.01 0.01 0.00 0.00 90.12 7.58 22 K E E 98.33 6.59 15.24 23.41 125.55 -170.18 -121.43 144.52 9.02 90.91 0.07 8.90 0.34 0.05 0.05 0.02 0.00 90.15 0.48 23 R E E 119.78 9.72 12.33 23.07 120.68 -142.74 -102.14 138.55 38.26 61.06 0.67 34.57 2.76 0.45 0.39 0.29 0.00 59.61 1.93 24 S C C 54.55 7.87 11.87 21.20 120.76 -137.52 -97.70 148.31 81.67 13.88 4.44 72.09 7.21 2.09 2.82 1.55 0.00 12.78 1.46 25 R C C 151.23 4.38 12.02 18.04 115.72 -128.66 -89.77 135.75 69.11 3.46 27.43 54.01 8.28 6.99 14.88 12.40 0.00 2.22 1.21 26 A C H 71.28 4.31 11.02 16.93 111.96 -108.23 -75.63 133.06 54.36 1.35 44.29 21.12 13.00 20.68 22.18 21.60 0.05 0.67 0.69 27 F C H 133.02 4.26 10.84 16.56 99.39 18.43 -86.02 35.55 51.83 1.58 46.59 26.08 9.24 16.92 26.16 19.95 0.04 0.78 0.82 28 T H H 70.90 6.56 9.97 18.00 99.59 82.56 -79.19 -18.64 45.57 1.21 53.22 27.44 8.27 10.46 37.25 15.35 0.02 0.59 0.61 29 S H H 74.39 3.21 11.28 15.80 97.09 68.18 -74.17 -22.13 38.25 0.93 60.82 15.06 8.00 15.51 39.53 20.89 0.07 0.47 0.47 30 H H H 130.60 2.47 11.43 14.97 96.21 59.48 -74.52 -19.26 39.35 0.95 59.70 10.23 8.02 20.88 38.94 20.75 0.17 0.48 0.53 31 L H H 95.38 4.76 10.86 17.13 97.51 58.43 -82.07 -14.31 44.48 1.71 53.81 15.04 9.23 21.14 35.03 17.48 0.20 0.83 1.05 32 F C C 95.75 8.18 9.08 18.46 98.52 72.29 -84.19 -0.30 54.03 2.73 43.25 30.53 9.13 14.87 25.06 17.28 0.04 1.06 2.04 33 A C T 81.50 2.43 11.00 14.97 94.02 101.21 -66.26 -24.96 71.74 0.31 27.95 4.37 5.92 60.54 16.42 12.31 0.02 0.15 0.28 34 N C T 138.53 0.55 12.50 11.66 97.15 47.23 -93.89 5.62 78.67 0.21 21.12 5.56 8.02 64.95 9.27 11.91 0.00 0.11 0.19 35 K C S 74.42 10.16 6.15 16.79 120.82 106.29 -86.85 149.53 98.42 0.59 0.99 46.81 50.96 0.55 0.73 0.18 0.00 0.11 0.65 36 S C C 62.44 1.66 12.99 14.66 118.69 -106.49 -70.20 159.43 99.40 0.27 0.34 98.52 0.86 0.09 0.25 0.02 0.00 0.06 0.20 37 T H H 107.20 1.71 10.48 13.38 91.83 -103.59 -59.38 -37.69 2.52 0.01 97.47 0.52 0.42 1.37 97.01 0.68 0.00 0.00 0.00 38 K H H 145.52 0.79 12.96 12.62 91.87 52.34 -64.81 -40.25 1.81 0.01 98.19 0.26 0.19 1.20 97.58 0.76 0.00 0.00 0.00 39 Q H H 82.60 3.74 11.84 17.17 92.37 48.82 -66.07 -39.96 0.93 0.01 99.07 0.22 0.09 0.54 98.42 0.73 0.00 0.00 0.00 40 K H H 88.01 5.99 11.64 19.36 91.93 51.99 -63.81 -41.34 0.78 0.00 99.21 0.19 0.07 0.43 98.91 0.40 0.00 0.00 0.00 41 R H H 136.85 1.48 15.03 15.87 91.96 50.46 -64.63 -40.85 1.56 0.00 98.44 0.19 0.09 1.11 97.95 0.66 0.00 0.00 0.00 42 Q H H 106.33 1.88 14.95 16.71 92.24 50.01 -65.85 -39.25 3.72 0.00 96.27 0.27 0.19 2.98 95.54 1.01 0.00 0.00 0.00 43 L H H 62.97 8.30 11.24 21.07 92.70 51.27 -67.68 -35.13 10.17 0.08 89.74 1.58 1.00 7.34 88.30 1.68 0.02 0.03 0.04 44 R H H 143.22 4.02 13.66 19.09 92.73 59.91 -67.94 -28.45 32.45 0.66 66.89 7.76 4.40 20.37 64.25 2.54 0.06 0.31 0.31 45 K C H 148.85 1.54 14.87 16.01 95.75 58.23 -79.42 -13.69 56.57 1.75 41.68 16.68 9.13 30.44 38.48 3.64 0.05 0.94 0.66 46 A C C 56.62 8.47 10.66 20.20 109.84 89.10 -78.30 123.41 74.63 6.69 18.68 45.41 12.12 16.38 15.69 3.94 0.02 5.01 1.42 47 R C C 141.72 4.48 14.72 20.72 120.88 100.25 -108.90 139.31 62.94 30.00 7.07 48.86 7.76 4.97 5.24 2.42 0.02 26.06 4.68 48 L E C 101.04 6.99 14.41 22.71 116.47 -132.55 -87.68 135.35 46.61 51.18 2.21 39.17 4.21 1.14 1.85 0.76 0.00 37.60 15.26 49 V C C 41.25 14.93 9.39 24.28 119.75 -147.54 -101.72 142.23 67.61 31.68 0.70 63.24 3.55 0.40 0.56 0.25 0.00 25.40 6.61 50 S C C 56.70 2.81 17.02 19.80 120.97 -120.64 -79.01 164.84 92.97 6.68 0.34 91.72 1.49 0.15 0.23 0.07 0.00 5.71 0.64 51 K H H 149.06 2.66 12.79 17.14 91.46 -101.55 -58.17 -37.23 12.23 0.05 87.71 1.17 1.40 8.94 78.17 10.25 0.03 0.03 0.03 52 S H H 73.42 1.22 15.49 15.48 91.51 53.41 -64.79 -38.56 11.75 0.05 88.21 0.84 0.93 9.28 77.24 11.62 0.03 0.02 0.02 53 D H H 46.64 9.27 13.10 23.81 92.51 49.10 -68.75 -37.18 6.99 0.05 92.96 1.48 0.74 4.27 80.34 13.11 0.01 0.03 0.02 54 M H H 58.72 11.39 12.61 24.98 91.89 55.48 -62.11 -41.67 0.92 0.00 99.08 0.24 0.08 0.47 98.49 0.72 0.00 0.00 0.00 55 K H H 126.62 1.51 17.82 18.12 91.86 51.08 -64.56 -40.81 0.45 0.00 99.55 0.07 0.03 0.29 99.22 0.40 0.00 0.00 0.00 56 R H H 123.91 2.79 16.78 19.74 92.05 49.52 -65.12 -41.09 0.41 0.00 99.59 0.05 0.02 0.28 99.26 0.39 0.00 0.00 0.00 57 V H H 38.18 12.34 12.55 25.87 92.35 50.34 -65.36 -41.02 0.43 0.00 99.57 0.05 0.02 0.29 99.18 0.46 0.00 0.00 0.00 58 K H H 115.03 4.91 15.39 21.57 91.86 52.98 -63.93 -38.08 1.96 0.00 98.04 0.13 0.08 1.63 96.61 1.55 0.00 0.00 0.00 59 Q H H 126.16 1.37 15.77 16.32 92.77 52.87 -69.60 -30.24 12.05 0.01 87.95 0.27 0.31 11.96 85.02 2.42 0.01 0.00 0.00 60 L H H 85.52 5.68 12.33 19.44 96.31 51.80 -82.01 -18.12 23.28 0.05 76.68 1.44 1.47 20.34 73.12 3.55 0.02 0.02 0.04 61 L H H 76.42 9.01 9.19 19.22 109.67 87.62 -77.41 134.85 35.16 1.77 63.07 16.86 6.15 12.14 36.84 26.24 0.07 0.94 0.77 62 A H G 79.35 2.36 11.43 14.85 103.65 -124.33 -73.89 37.61 47.97 1.79 50.24 16.36 6.71 24.13 24.84 26.12 0.06 1.05 0.73 63 Y C T 160.64 2.91 8.98 13.53 107.92 70.36 -91.98 80.96 54.35 3.22 42.43 21.40 8.50 25.33 16.88 24.66 0.06 1.95 1.21 64 K C C 137.79 3.60 7.66 13.27 112.87 123.80 -93.12 125.03 82.10 4.10 13.80 70.53 2.60 9.40 9.78 3.34 0.00 2.27 2.07 65 K C C 155.77 2.10 11.17 14.80 112.36 -147.81 -92.17 127.26 99.90 0.08 0.02 99.84 0.06 0.04 0.01 0.00 0.00 0.04 0.01