# 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 106.76 8.22 12.25 21.46 115.97 -162.69 -94.13 131.76 99.82 0.16 0.02 99.74 0.10 0.04 0.01 0.00 0.00 0.08 0.02 1 A C C 64.05 6.40 11.77 19.71 114.93 -138.67 -89.44 135.43 90.83 7.48 1.69 87.08 1.20 3.12 0.82 0.57 0.00 5.54 1.68 2 R C C 150.26 5.20 13.57 20.52 116.15 -143.97 -97.21 130.17 81.15 17.02 1.83 63.77 13.59 3.42 0.96 0.97 0.00 13.06 4.22 3 V C C 37.05 14.62 11.81 27.09 120.83 -153.83 -109.22 134.10 85.45 13.73 0.82 79.92 5.30 0.56 0.54 0.30 0.00 10.48 2.90 4 T C C 55.19 5.03 21.55 26.60 123.63 -141.83 -89.56 160.32 84.85 13.97 1.18 82.87 2.35 0.33 1.11 0.19 0.00 7.43 5.72 5 V H H 37.29 18.49 12.55 30.73 91.65 -111.94 -58.75 -38.40 7.17 0.13 92.70 1.73 1.22 4.17 85.18 7.56 0.02 0.07 0.04 6 E H H 121.84 2.78 18.64 21.82 91.55 54.54 -63.17 -39.50 4.22 0.05 95.74 0.51 0.41 3.01 88.04 7.99 0.01 0.03 0.01 7 D H H 69.55 4.05 18.54 23.12 92.10 50.16 -67.17 -37.26 3.00 0.03 96.97 0.39 0.28 2.08 87.40 9.82 0.01 0.02 0.01 8 C H H 9.22 19.69 12.10 31.93 92.72 51.84 -66.77 -38.12 4.45 0.05 95.50 0.74 0.50 2.99 88.58 7.14 0.01 0.03 0.01 9 L H H 58.97 12.67 13.76 26.98 91.52 57.84 -66.84 -30.87 10.67 0.16 89.18 1.45 1.09 7.55 74.80 14.88 0.08 0.09 0.07 10 D H H 121.84 0.88 18.97 17.87 91.78 57.74 -72.87 -21.26 27.97 0.08 71.95 0.91 1.44 25.14 62.44 9.90 0.07 0.04 0.07 11 N H H 91.76 5.78 15.42 22.24 99.42 41.44 -100.38 -12.91 42.47 0.08 57.45 1.33 2.77 37.89 51.02 6.83 0.03 0.03 0.09 12 V C C 26.12 17.45 7.88 24.60 130.14 55.42 -126.49 148.71 93.11 1.18 5.71 72.91 15.61 3.61 5.57 0.71 0.00 0.29 1.30 13 D C S 128.34 0.80 17.19 16.48 95.28 -142.80 -79.34 -22.87 99.46 0.26 0.28 29.58 67.62 2.34 0.15 0.09 0.00 0.10 0.13 14 N C S 70.59 4.78 17.39 23.30 134.00 24.51 -142.72 151.02 97.71 1.11 1.18 43.33 52.88 1.33 0.99 0.20 0.00 0.24 1.03 15 R H H 110.59 12.53 14.22 26.96 92.66 -120.31 -61.29 -36.40 1.37 0.00 98.63 0.14 0.21 0.92 98.46 0.27 0.00 0.00 0.00 16 F H H 118.42 5.41 19.42 25.09 91.50 54.53 -63.25 -40.97 0.51 0.00 99.49 0.04 0.04 0.39 99.30 0.23 0.00 0.00 0.00 17 E H H 69.21 8.05 20.55 29.46 91.64 49.19 -65.00 -40.88 0.07 0.00 99.93 0.01 0.00 0.05 99.82 0.11 0.00 0.00 0.00 18 L H H 12.14 20.64 16.98 37.83 91.67 51.00 -62.97 -43.06 0.03 0.00 99.97 0.00 0.00 0.02 99.96 0.02 0.00 0.00 0.00 19 V H H 41.74 13.53 22.26 35.72 91.56 49.68 -63.51 -42.46 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 20 M H H 85.07 5.15 26.03 31.13 91.41 49.55 -63.58 -42.15 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 21 L H H 27.38 14.08 23.17 37.74 91.37 49.48 -64.35 -42.85 0.10 0.00 99.90 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 22 A H H 6.88 21.51 20.80 42.10 91.45 50.85 -63.54 -42.56 0.21 0.00 99.79 0.01 0.01 0.15 99.81 0.02 0.00 0.00 0.00 23 T H H 49.22 9.53 24.75 34.57 91.49 50.84 -63.40 -42.42 0.34 0.00 99.65 0.03 0.02 0.23 99.71 0.02 0.00 0.00 0.00 24 K H H 93.90 5.42 26.63 32.40 91.67 49.64 -64.32 -41.83 0.40 0.00 99.60 0.03 0.02 0.26 99.67 0.02 0.00 0.00 0.00 25 R H H 42.03 16.25 22.23 38.10 91.80 49.84 -64.68 -42.20 0.26 0.00 99.74 0.03 0.01 0.15 99.78 0.02 0.00 0.00 0.00 26 A H H 14.73 17.01 19.47 36.72 91.51 51.99 -62.55 -42.22 0.17 0.00 99.83 0.02 0.01 0.09 99.84 0.04 0.00 0.00 0.00 27 R H H 123.58 3.85 24.61 28.03 91.61 50.28 -63.79 -41.18 0.26 0.00 99.74 0.02 0.01 0.17 99.71 0.09 0.00 0.00 0.00 28 Q H H 64.77 6.73 20.18 27.84 91.83 50.18 -64.69 -41.03 0.67 0.00 99.33 0.07 0.04 0.48 99.18 0.23 0.00 0.00 0.00 29 L H H 32.39 15.30 14.08 29.82 92.14 50.85 -65.42 -39.16 2.31 0.01 97.67 0.28 0.18 1.70 97.24 0.58 0.00 0.01 0.00 30 A H H 61.57 7.59 15.56 24.21 91.65 54.62 -68.73 -26.62 10.30 0.04 89.66 0.72 0.72 8.58 89.16 0.76 0.02 0.02 0.02 31 T C T 96.40 2.09 14.63 16.89 96.94 53.52 -86.19 -0.98 57.20 0.21 42.59 3.01 5.82 45.96 43.48 1.45 0.04 0.07 0.16 32 G C T 57.49 2.21 13.46 16.62 100.69 -97.00 85.07 8.42 87.61 0.25 12.14 11.51 12.73 62.61 11.21 1.65 0.00 0.10 0.18 33 G C C 41.86 6.71 10.44 18.64 115.53 139.58 -79.89 166.97 97.15 0.56 2.29 54.00 25.83 17.30 0.57 1.69 0.00 0.25 0.36 34 K C C 142.40 3.01 13.91 18.27 116.30 -106.43 -93.20 142.64 97.40 1.15 1.45 53.92 39.39 4.09 0.44 0.91 0.00 0.43 0.82 35 E C C 137.48 3.11 14.96 19.51 111.68 -100.78 -83.09 123.60 98.29 0.84 0.87 74.02 22.54 1.73 0.29 0.55 0.00 0.37 0.51 36 P C C 48.74 15.47 8.53 23.45 113.62 -115.99 -66.78 145.56 93.01 0.94 6.05 77.20 6.78 8.63 1.54 4.81 0.00 0.48 0.57 37 K C S 157.91 1.78 16.05 17.99 96.31 -143.21 -81.10 -14.05 92.12 1.50 6.38 35.14 42.92 14.17 1.76 4.46 0.00 0.65 0.91 38 V C S 57.86 9.57 10.15 21.24 123.01 65.03 -112.91 139.28 87.97 4.79 7.24 34.95 47.46 6.08 2.80 3.91 0.00 2.00 2.79 39 A C C 82.95 2.20 15.86 18.62 112.28 -112.64 -74.50 137.34 92.49 2.03 5.48 83.25 5.65 3.65 1.46 3.95 0.00 1.29 0.74 40 W C C 103.36 13.75 7.71 20.72 119.41 -158.54 -106.66 132.68 90.89 1.87 7.24 79.20 6.23 5.22 1.90 5.42 0.00 1.02 1.03 41 E C C 148.42 1.70 13.48 15.73 107.16 -163.47 -90.55 46.41 93.07 1.07 5.86 49.93 19.00 23.52 0.96 5.48 0.00 0.53 0.59 42 N C T 105.23 4.22 12.14 17.69 114.10 28.61 -102.17 115.03 95.12 0.59 4.29 33.00 26.16 35.50 0.59 4.13 0.00 0.27 0.34 43 D C C 97.49 6.00 12.95 20.46 99.87 -141.16 -86.56 6.64 96.81 0.49 2.70 43.25 39.31 13.95 0.51 2.41 0.00 0.18 0.39 44 K C C 100.21 5.98 17.92 24.81 114.09 107.12 -86.48 130.50 97.84 0.67 1.50 67.99 29.11 0.51 1.47 0.17 0.00 0.14 0.60 45 P H H 37.56 16.45 15.91 32.53 92.83 -135.75 -59.34 -36.69 2.79 0.01 97.21 0.58 0.40 1.55 97.13 0.34 0.00 0.00 0.00 46 T H H 32.44 17.08 19.76 36.15 92.15 55.07 -64.14 -40.26 1.23 0.01 98.77 0.20 0.10 0.77 98.62 0.30 0.00 0.00 0.00 47 V H H 45.91 8.72 23.64 32.88 91.87 49.42 -64.51 -42.08 0.24 0.00 99.76 0.05 0.02 0.13 99.64 0.17 0.00 0.00 0.00 48 V H H 26.25 11.83 23.14 36.00 91.61 49.57 -63.53 -43.09 0.05 0.00 99.95 0.01 0.00 0.02 99.94 0.03 0.00 0.00 0.00 49 A H H 4.81 21.86 20.11 42.20 91.49 50.60 -62.68 -43.78 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 50 L H H 35.92 15.85 23.39 38.77 91.62 49.74 -63.76 -41.82 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 51 R H H 106.06 6.18 25.74 32.31 91.83 49.93 -64.33 -41.95 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 52 E H H 28.63 13.22 20.25 34.44 91.94 49.16 -64.57 -42.65 0.16 0.00 99.84 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 53 I H H 21.59 19.10 16.46 35.62 92.01 49.19 -64.32 -42.98 0.45 0.00 99.54 0.03 0.02 0.35 99.51 0.09 0.00 0.00 0.00 54 A H H 58.00 8.72 18.00 27.37 90.80 51.94 -64.67 -31.52 3.44 0.00 96.56 0.07 0.08 3.39 96.30 0.16 0.00 0.00 0.00 55 S C T 69.88 3.39 17.88 21.64 91.34 52.92 -84.04 -7.08 80.44 0.02 19.55 0.17 0.66 78.72 20.12 0.32 0.00 0.00 0.01 56 G C T 45.46 6.48 15.48 23.39 93.52 -114.38 79.57 13.97 99.63 0.01 0.37 0.47 1.28 98.00 0.21 0.04 0.00 0.00 0.00 57 L C S 73.42 8.37 17.74 27.28 94.95 125.94 -79.59 -21.73 99.14 0.48 0.38 26.51 70.52 2.18 0.20 0.17 0.00 0.17 0.26 58 V C S 14.91 22.25 11.70 33.41 125.61 47.43 -121.29 136.24 89.64 9.52 0.85 31.07 57.44 1.93 0.47 0.32 0.00 3.20 5.57 59 D C C 64.90 5.60 22.78 28.39 131.60 -170.43 -124.32 163.59 93.84 5.15 1.01 90.56 3.11 0.54 0.63 0.28 0.00 3.29 1.59 60 E H H 99.80 12.10 14.49 26.82 92.52 -104.88 -63.07 -28.60 42.51 1.81 55.69 7.95 6.80 25.97 32.52 24.70 0.19 1.15 0.73 61 N H H 113.05 2.16 19.02 21.13 92.31 63.07 -70.03 -21.25 38.02 2.15 59.83 8.04 5.49 22.53 36.69 24.90 0.21 1.42 0.71 62 V H H 38.14 13.75 13.70 27.95 95.67 57.47 -76.55 -28.17 29.81 4.88 65.31 13.70 6.51 9.93 41.63 23.63 0.18 3.38 1.06 63 V H H 37.04 16.77 11.90 28.05 105.29 77.54 -82.59 55.92 40.63 7.48 51.89 25.10 8.55 8.65 40.21 10.35 0.14 5.19 1.80 64 Q C C 106.30 4.59 16.23 21.66 106.35 54.71 -90.88 65.50 55.88 4.65 39.47 37.10 9.65 9.36 33.54 5.97 0.03 3.15 1.19 65 Q C H 102.83 6.76 12.75 20.64 104.28 61.04 -81.46 10.28 54.57 2.54 42.89 36.08 10.40 7.94 37.82 5.42 0.01 1.65 0.67 66 E C H 115.23 5.37 12.82 19.49 105.29 63.89 -82.19 48.74 50.36 1.99 47.65 32.53 8.17 9.49 40.49 7.45 0.01 1.34 0.52 67 D C H 91.52 5.00 13.10 19.43 105.16 54.67 -84.67 69.07 52.63 2.25 45.12 35.30 6.99 10.22 37.47 7.88 0.01 1.49 0.64 68 I C H 80.10 8.80 10.91 20.84 108.44 68.02 -89.75 98.07 51.37 2.93 45.71 36.56 7.87 7.31 39.10 6.48 0.02 1.81 0.84 69 V C C 80.50 6.72 11.63 19.71 108.09 67.91 -87.26 114.60 56.32 2.79 40.89 41.17 6.93 8.09 35.84 5.38 0.01 1.64 0.93 70 E C C 130.56 3.51 12.22 17.13 104.00 -135.73 -81.55 32.21 68.82 1.32 29.86 46.14 8.32 13.71 25.77 4.77 0.00 0.69 0.60 71 D C C 97.18 4.33 11.78 17.57 105.57 59.97 -90.93 68.81 79.94 0.70 19.37 54.10 11.87 13.20 16.18 3.91 0.00 0.31 0.43 72 E C C 102.26 6.53 10.99 19.02 109.12 135.37 -79.94 130.55 82.17 0.44 17.38 64.44 12.50 3.83 17.11 1.67 0.00 0.17 0.27 73 P C C 80.90 4.15 13.39 18.76 102.13 -88.88 -66.94 -23.70 63.80 0.58 35.62 53.11 3.80 6.59 31.90 4.05 0.00 0.31 0.24 74 L H H 87.48 6.38 12.74 20.45 95.65 52.79 -70.44 -31.50 48.21 1.37 50.42 36.45 4.83 7.66 43.47 6.30 0.01 0.80 0.48 75 F H H 90.87 8.36 11.86 21.39 95.94 55.12 -72.07 -33.92 39.06 1.92 59.02 29.23 4.87 6.52 50.10 7.53 0.01 1.15 0.59 76 A H H 61.58 4.11 13.91 19.23 94.39 58.89 -67.47 -35.74 41.21 1.60 57.19 31.65 4.49 6.40 49.88 6.14 0.01 0.96 0.48 77 A H H 65.25 3.92 13.97 18.87 94.47 53.81 -71.99 -31.57 43.98 1.58 54.44 32.05 5.06 7.94 47.93 5.58 0.01 0.92 0.51 78 F H H 101.34 7.45 11.70 20.40 99.48 54.47 -78.17 -26.92 43.96 1.95 54.09 30.02 7.66 7.94 48.13 4.52 0.02 1.02 0.69 79 D C H 84.78 4.72 12.85 18.85 99.58 56.26 -78.20 -17.34 51.90 1.27 46.83 37.88 6.08 7.85 43.71 3.38 0.00 0.64 0.46 80 D H H 91.39 3.77 12.63 17.62 97.51 64.35 -71.48 -26.45 43.55 1.19 55.27 27.52 7.17 10.35 48.46 5.40 0.01 0.62 0.46 81 E H H 114.40 3.42 12.72 17.28 96.35 59.63 -71.77 -32.80 36.43 1.52 62.05 20.95 6.93 10.88 53.56 6.23 0.04 0.84 0.57 82 A H H 60.16 4.68 11.45 17.71 96.28 57.21 -70.74 -32.57 38.27 1.46 60.28 21.57 8.22 10.81 52.20 5.83 0.04 0.75 0.57 83 N H H 91.85 4.49 11.08 17.07 98.48 57.69 -78.42 -13.48 48.77 1.30 49.93 31.78 7.77 10.33 43.19 5.71 0.01 0.67 0.53 84 T H H 86.54 3.74 10.35 15.62 98.26 67.31 -75.56 -23.67 46.31 1.94 51.75 26.98 8.07 12.91 41.05 9.10 0.04 1.06 0.79 85 E C H 137.08 2.02 10.35 13.54 98.05 61.93 -75.48 -22.41 51.83 2.46 45.72 26.30 8.60 18.42 34.96 9.27 0.07 1.37 1.02 86 A C C 76.96 3.21 9.02 13.84 100.11 64.30 -79.16 -6.77 66.85 1.48 31.66 45.45 2.43 19.72 25.28 5.51 0.00 0.84 0.77 87 L C C 105.15 5.41 10.78 17.66 100.61 72.06 -80.44 3.91 99.74 0.09 0.18 99.39 0.17 0.25 0.12 0.01 0.00 0.04 0.02