# 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 64.02 4.97 15.69 21.41 106.34 -125.88 -77.56 110.05 99.90 0.02 0.08 99.82 0.06 0.05 0.05 0.00 0.00 0.01 0.01 1 K H H 116.36 6.48 13.63 21.05 95.38 64.24 -68.28 -31.91 23.00 0.13 76.87 16.64 1.21 4.80 76.18 1.06 0.00 0.05 0.07 2 L H H 73.33 9.72 12.88 23.43 93.37 57.35 -65.52 -39.22 10.54 0.07 89.39 4.48 1.66 4.39 88.02 1.39 0.00 0.03 0.03 3 T H H 77.36 2.81 17.42 20.39 92.52 51.54 -65.10 -40.25 6.04 0.06 93.90 3.03 0.89 2.37 92.08 1.58 0.00 0.03 0.02 4 D H H 72.53 5.33 18.27 24.26 92.41 50.74 -65.26 -40.30 3.43 0.04 96.53 1.82 0.52 1.28 95.34 1.00 0.00 0.02 0.02 5 I H H 33.90 15.85 15.64 32.02 92.12 50.08 -64.50 -42.19 1.65 0.01 98.33 0.66 0.22 0.74 97.95 0.41 0.00 0.01 0.00 6 K H H 96.55 8.38 20.76 29.48 91.77 51.52 -62.94 -41.62 1.52 0.01 98.47 0.55 0.17 0.75 98.21 0.31 0.00 0.01 0.00 7 C H H 66.94 3.12 23.24 25.55 91.84 49.70 -64.09 -42.08 1.95 0.01 98.04 0.57 0.22 1.07 97.88 0.25 0.00 0.00 0.01 8 S H H 26.33 11.82 20.53 33.06 91.96 50.32 -64.29 -41.34 1.14 0.00 98.86 0.35 0.12 0.55 98.87 0.11 0.00 0.00 0.00 9 N H H 29.45 18.00 18.93 36.74 91.78 51.27 -63.62 -41.47 0.65 0.00 99.35 0.14 0.06 0.35 99.38 0.07 0.00 0.00 0.00 10 V H H 77.10 5.00 23.80 29.03 91.72 50.61 -64.21 -42.36 0.23 0.00 99.77 0.03 0.02 0.13 99.77 0.05 0.00 0.00 0.00 11 V H H 73.92 4.74 24.23 28.82 91.61 49.33 -63.97 -43.13 0.17 0.00 99.82 0.02 0.01 0.11 99.81 0.05 0.00 0.00 0.00 12 L H H 25.03 18.45 19.81 38.08 91.41 48.71 -63.97 -42.76 0.30 0.00 99.70 0.03 0.02 0.20 99.68 0.07 0.00 0.00 0.00 13 L H H 42.40 15.02 19.81 34.67 91.33 50.25 -63.11 -41.24 0.46 0.00 99.54 0.04 0.02 0.31 99.52 0.10 0.00 0.00 0.00 14 G H H 36.92 3.04 23.49 25.83 91.31 51.39 -63.69 -41.32 2.11 0.00 97.89 0.14 0.09 1.69 97.69 0.37 0.00 0.00 0.00 15 C H H 41.63 8.57 20.35 29.92 91.88 49.77 -64.78 -41.87 3.35 0.01 96.63 0.32 0.27 2.62 95.64 1.12 0.01 0.00 0.00 16 L H H 16.18 19.01 14.45 33.88 91.72 49.99 -64.91 -41.16 4.38 0.04 95.58 0.79 0.52 3.00 92.92 2.71 0.02 0.02 0.01 17 S H H 60.78 6.17 17.66 24.83 91.98 52.70 -64.78 -39.44 10.61 0.06 89.33 1.55 0.94 7.97 85.26 4.21 0.03 0.03 0.03 18 S H H 83.93 1.66 17.56 18.77 91.49 55.23 -67.87 -26.45 21.88 0.08 78.04 1.52 1.66 18.71 74.50 3.47 0.05 0.03 0.05 19 M C T 77.74 9.73 12.72 23.59 95.58 54.18 -86.69 0.40 76.23 0.22 23.55 2.82 7.42 64.81 21.37 3.27 0.02 0.08 0.22 20 N C T 129.26 1.67 18.10 19.52 95.62 -119.97 58.68 39.17 93.46 0.23 6.31 13.60 5.28 74.73 4.69 1.45 0.00 0.12 0.13 21 V C C 39.42 15.95 9.71 25.30 105.17 150.47 -91.45 48.30 86.97 1.74 11.29 70.40 6.93 9.78 6.53 4.42 0.00 0.89 1.05 22 S C C 65.03 5.04 16.36 22.27 103.13 69.01 -81.18 1.25 86.26 1.82 11.92 63.24 9.04 13.94 5.05 6.72 0.00 0.96 1.05 23 A C T 62.93 8.26 11.94 21.22 100.03 67.29 -74.86 -12.78 88.30 1.12 10.59 27.51 20.45 40.94 3.46 6.47 0.00 0.51 0.66 24 N C T 123.54 2.09 14.47 17.18 99.91 53.42 -93.64 11.13 92.30 0.66 7.04 31.93 26.72 33.85 1.91 4.90 0.00 0.30 0.39 25 S C S 45.45 6.82 11.34 20.05 124.11 114.10 -90.43 163.09 92.54 1.08 6.38 33.02 57.88 1.31 6.26 0.47 0.00 0.21 0.85 26 T H H 108.45 1.46 15.92 17.25 92.61 -109.66 -62.03 -35.11 5.41 0.01 94.57 0.76 0.98 3.45 93.84 0.95 0.01 0.01 0.01 27 E H H 71.35 11.42 15.19 27.21 92.17 53.03 -65.36 -40.03 3.11 0.01 96.87 0.46 0.30 2.16 96.04 1.02 0.00 0.00 0.00 28 W H H 58.06 14.14 14.32 29.01 92.14 50.79 -64.94 -40.62 0.68 0.00 99.32 0.15 0.06 0.39 98.69 0.71 0.00 0.00 0.00 29 A H H 56.49 3.02 21.48 23.98 91.54 51.84 -63.34 -41.02 0.23 0.00 99.77 0.04 0.01 0.12 99.69 0.14 0.00 0.00 0.00 30 Y H H 89.50 7.39 21.10 29.19 91.94 50.18 -64.70 -41.66 0.19 0.00 99.80 0.02 0.01 0.12 99.78 0.06 0.00 0.00 0.00 31 C H H 9.27 20.69 16.48 37.34 91.85 49.85 -64.06 -42.78 0.13 0.00 99.87 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 32 V H H 58.37 8.17 21.69 30.46 91.57 50.33 -63.74 -42.29 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 33 D H H 86.69 2.31 25.03 25.98 91.63 49.66 -64.25 -41.50 0.20 0.00 99.80 0.02 0.01 0.13 99.82 0.03 0.00 0.00 0.00 34 L H H 19.03 16.49 18.63 35.65 91.92 49.66 -64.48 -42.46 0.32 0.00 99.68 0.02 0.01 0.23 99.68 0.05 0.00 0.00 0.00 35 H H H 41.88 17.86 18.35 35.57 91.36 52.09 -62.07 -42.15 0.39 0.00 99.61 0.03 0.02 0.28 99.58 0.10 0.00 0.00 0.00 36 N H H 89.39 2.63 23.44 25.11 91.47 50.47 -64.29 -40.27 1.18 0.00 98.82 0.07 0.06 0.96 98.52 0.39 0.00 0.00 0.00 37 K H H 95.50 6.14 21.65 28.14 92.04 49.65 -66.15 -39.58 2.31 0.00 97.68 0.15 0.13 1.97 96.46 1.28 0.00 0.00 0.00 38 I H H 12.01 22.46 13.61 35.92 91.72 51.40 -64.92 -39.70 3.37 0.01 96.62 0.18 0.20 2.93 92.05 4.63 0.00 0.00 0.00 39 N H H 88.18 8.21 19.19 28.15 90.98 56.16 -68.26 -24.20 18.65 0.02 81.34 0.48 0.67 18.03 76.57 4.21 0.01 0.00 0.01 40 L C T 117.96 1.96 20.23 21.36 94.30 52.79 -88.31 -8.99 53.07 0.07 46.86 2.08 2.81 47.41 42.89 4.71 0.01 0.02 0.06 41 C C C 24.33 17.38 8.13 24.88 117.31 102.11 -80.55 140.95 98.49 0.46 1.05 91.91 4.87 1.59 0.84 0.18 0.00 0.12 0.49 42 N C C 133.65 1.26 17.64 18.51 97.57 -167.18 -98.11 -12.12 99.75 0.16 0.09 51.32 47.51 0.93 0.04 0.04 0.00 0.05 0.11 43 D C S 76.68 3.84 18.08 22.65 118.54 70.18 -103.92 127.15 99.66 0.21 0.13 42.43 57.08 0.15 0.10 0.02 0.00 0.03 0.18 44 P H H 51.80 15.54 12.10 27.67 92.63 -145.06 -61.26 -36.25 2.80 0.00 97.19 0.28 0.33 1.94 96.60 0.85 0.00 0.00 0.00 45 E H H 128.50 2.22 19.91 22.10 91.83 54.24 -63.51 -40.89 1.61 0.00 98.39 0.11 0.10 1.27 97.63 0.89 0.00 0.00 0.00 46 K H H 97.68 4.35 20.89 25.43 91.92 47.54 -66.01 -39.89 0.61 0.00 99.39 0.09 0.04 0.38 98.83 0.66 0.00 0.00 0.00 47 A H H 5.10 20.87 13.91 35.44 91.16 51.31 -62.42 -43.28 0.16 0.00 99.84 0.02 0.01 0.08 99.80 0.08 0.00 0.00 0.00 48 Q H H 60.25 13.88 20.74 34.14 91.59 51.14 -62.81 -42.17 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 49 E H H 110.85 2.46 25.73 27.09 91.44 49.99 -64.01 -41.62 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 50 M H H 44.28 12.91 21.72 34.86 91.78 49.85 -64.90 -41.81 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.01 0.00 0.00 0.00 51 L H H 10.17 23.33 19.08 42.10 91.33 50.86 -63.21 -42.80 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 52 L H H 67.29 9.30 23.94 33.48 91.51 50.45 -63.10 -41.82 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 53 A H H 47.19 4.63 24.86 29.65 91.27 50.84 -63.63 -42.03 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 54 L H H 18.08 19.01 20.70 39.55 91.35 49.74 -64.17 -42.73 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 55 L H H 28.12 18.72 21.05 38.96 91.37 50.19 -63.47 -41.85 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 56 A H H 50.27 5.34 23.33 28.95 91.34 51.62 -63.58 -41.44 0.23 0.00 99.77 0.01 0.00 0.16 99.67 0.14 0.00 0.00 0.00 57 F H H 69.93 9.12 21.31 31.11 91.92 49.98 -64.47 -42.08 0.73 0.00 99.27 0.03 0.03 0.60 98.81 0.53 0.00 0.00 0.00 58 F H H 26.62 19.34 17.51 36.55 92.39 48.27 -66.42 -38.91 3.08 0.00 96.92 0.14 0.14 2.70 96.19 0.83 0.00 0.00 0.00 59 L H H 62.95 12.07 17.82 30.14 92.70 51.63 -72.70 -24.53 19.65 0.09 80.25 2.05 1.95 15.65 78.86 1.35 0.04 0.03 0.07 60 S C H 63.89 4.99 17.00 22.88 96.92 66.29 -78.97 -10.65 56.36 1.32 42.32 20.14 11.18 26.00 38.84 2.58 0.05 0.48 0.73 61 K C T 110.49 7.78 13.76 22.51 103.24 92.35 -79.75 21.29 70.98 2.30 26.72 24.44 21.31 26.05 21.60 4.33 0.06 0.90 1.30 62 N C C 88.77 7.44 12.09 20.70 105.68 102.56 -87.82 70.99 79.09 1.90 19.02 45.05 13.89 20.07 13.24 5.71 0.01 0.79 1.25 63 S C T 70.74 5.15 12.57 19.29 101.10 159.88 -77.59 -17.68 68.44 0.95 30.61 22.21 15.83 31.44 15.08 14.33 0.02 0.42 0.67 64 A C T 81.17 3.01 13.73 17.75 96.79 54.62 -75.03 -22.10 67.87 0.98 31.16 17.15 17.34 34.49 16.20 13.65 0.04 0.46 0.67 65 F C S 102.64 8.01 12.65 21.66 102.49 55.04 -90.19 1.10 64.97 5.67 29.37 23.52 23.86 19.31 16.87 10.51 0.20 2.46 3.26 66 G C C 29.64 7.04 16.69 25.02 100.21 -121.86 63.06 23.84 77.95 2.68 19.37 60.34 6.60 9.96 17.28 3.08 0.00 1.33 1.41 67 L H H 41.63 16.01 12.69 28.63 94.56 127.83 -66.43 -36.42 17.68 0.23 82.09 12.82 2.41 3.55 78.79 2.24 0.00 0.09 0.10 68 D H H 87.08 5.00 17.43 23.47 92.39 56.76 -63.60 -40.50 3.97 0.03 96.00 1.32 0.52 2.06 93.62 2.46 0.00 0.02 0.01 69 D H H 87.16 2.33 19.53 21.19 92.37 50.24 -66.14 -39.75 2.12 0.02 97.86 0.56 0.23 1.26 95.50 2.44 0.00 0.01 0.00 70 L H H 43.14 11.06 15.69 27.95 92.16 50.29 -65.00 -42.55 1.51 0.01 98.48 0.36 0.15 0.91 96.54 2.03 0.00 0.01 0.00 71 L H H 45.02 12.43 15.03 28.34 92.06 50.09 -64.34 -41.75 1.71 0.02 98.27 0.42 0.19 1.01 96.99 1.36 0.00 0.01 0.00 72 E H H 104.96 2.96 17.84 21.03 91.92 51.72 -64.38 -40.27 2.94 0.03 97.03 0.56 0.27 2.00 94.73 2.40 0.01 0.02 0.01 73 S H H 56.97 3.41 17.04 20.85 92.25 50.54 -66.28 -39.49 6.25 0.03 93.72 0.67 0.50 4.93 90.79 3.06 0.02 0.02 0.01 74 Y H H 75.87 11.10 13.83 25.70 93.12 48.66 -68.55 -39.40 10.50 0.06 89.44 1.07 0.99 8.30 86.36 3.19 0.03 0.03 0.03 75 F H H 92.88 8.58 12.96 22.63 96.68 46.88 -79.45 -22.20 31.37 0.51 68.11 6.89 4.77 20.89 63.94 2.89 0.10 0.22 0.31 76 N C H 109.38 2.52 14.03 17.29 98.25 60.80 -80.69 -9.03 60.16 1.08 38.76 16.86 11.19 32.40 35.70 2.81 0.05 0.43 0.56 77 D C C 85.58 5.08 10.36 17.03 105.89 78.85 -87.98 74.31 78.63 1.64 19.72 40.94 22.56 14.94 16.62 3.33 0.01 0.63 0.98 78 N C C 105.71 4.35 10.53 16.58 99.47 132.35 -78.40 -1.12 62.90 1.25 35.86 26.05 13.68 23.63 18.97 16.33 0.03 0.59 0.72 79 S C T 74.20 3.14 10.40 15.08 99.46 81.24 -76.97 -17.06 59.09 2.04 38.87 20.72 12.20 26.76 17.55 20.60 0.08 1.10 0.99 80 M C C 114.88 4.53 8.90 15.06 101.92 71.58 -82.64 -9.52 55.83 5.89 38.28 23.75 12.20 21.48 17.30 19.36 0.22 3.50 2.19 81 L C C 107.97 4.61 8.02 14.28 106.12 70.86 -86.48 51.29 68.15 5.17 26.68 51.83 3.25 14.45 15.93 8.97 0.01 3.39 2.17 82 Q C C 131.10 2.76 11.56 15.93 107.17 -154.59 -84.91 93.50 99.90 0.08 0.02 99.82 0.07 0.05 0.01 0.00 0.00 0.04 0.01