# 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 A C C 61.81 7.53 11.66 20.47 117.11 -144.20 -86.04 144.45 99.90 0.06 0.03 99.83 0.08 0.04 0.02 0.00 0.00 0.03 0.01 1 K C C 137.31 3.62 10.66 16.16 115.55 -141.50 -92.59 139.29 87.96 1.98 10.05 83.77 1.22 3.59 7.99 1.44 0.00 0.87 1.12 2 S C C 64.99 5.13 8.77 15.62 113.68 -118.67 -80.94 145.96 77.00 2.06 20.93 62.24 7.26 7.30 16.58 4.51 0.00 0.98 1.13 3 K C H 155.78 1.86 11.22 14.23 96.09 -129.57 -69.38 -25.07 56.00 1.04 42.96 22.38 13.45 21.20 33.68 8.20 0.04 0.48 0.58 4 N C H 95.56 4.39 11.11 17.04 99.89 57.18 -90.18 4.32 52.63 1.01 46.37 21.80 12.39 19.86 36.85 8.03 0.05 0.43 0.60 5 H H H 97.45 6.90 11.36 19.63 102.04 91.74 -80.39 -9.41 42.05 1.23 56.72 27.08 8.78 7.82 50.04 5.15 0.02 0.52 0.59 6 T H H 73.53 5.03 13.54 19.80 100.43 79.26 -80.27 -22.87 37.01 1.14 61.86 25.21 6.34 6.78 57.01 3.67 0.01 0.53 0.44 7 T H H 69.32 5.78 14.47 21.37 99.51 53.89 -76.67 -30.39 29.42 0.89 69.68 18.57 6.04 6.35 64.99 3.30 0.02 0.42 0.33 8 H H H 93.25 7.13 14.01 22.26 97.71 58.49 -70.06 -37.42 24.60 0.66 74.74 14.08 5.29 6.80 69.99 3.25 0.02 0.31 0.26 9 N H H 84.88 4.75 15.88 21.46 95.01 52.13 -70.02 -33.34 23.56 0.47 75.96 12.60 4.66 7.59 71.61 3.10 0.02 0.22 0.20 10 Q H H 87.72 5.46 15.64 22.14 95.02 54.27 -70.08 -33.80 19.80 0.35 79.85 10.30 3.97 6.62 76.15 2.63 0.01 0.15 0.15 11 S H H 39.71 8.37 13.18 23.16 95.96 56.47 -68.44 -38.20 16.72 0.30 82.97 9.90 2.87 4.96 79.73 2.27 0.01 0.14 0.12 12 R H H 128.49 3.26 15.98 19.88 93.56 55.78 -66.13 -38.82 9.94 0.20 89.86 4.03 1.74 4.68 87.14 2.19 0.03 0.10 0.08 13 K H H 100.31 3.37 15.27 19.41 92.84 52.58 -66.08 -40.34 7.65 0.22 92.14 2.89 1.41 3.95 89.21 2.31 0.04 0.12 0.08 14 W H H 92.39 7.61 11.94 21.27 93.02 50.66 -66.44 -40.39 6.08 0.21 93.71 2.46 1.02 3.09 90.41 2.80 0.03 0.12 0.07 15 H H H 109.93 4.69 12.59 18.62 93.98 48.15 -70.51 -37.50 8.07 0.31 91.62 2.63 1.23 4.78 87.40 3.59 0.07 0.18 0.11 16 R H H 162.95 1.55 13.53 15.13 96.06 47.67 -77.47 -32.40 14.84 0.21 84.95 2.23 2.09 10.96 81.26 3.14 0.10 0.10 0.12 17 N H H 102.71 2.76 12.16 15.85 99.89 30.52 -100.20 0.95 37.14 0.21 62.65 3.54 6.01 27.56 60.94 1.66 0.07 0.07 0.15 18 G C C 51.56 3.00 12.11 16.35 98.78 -112.97 77.59 14.16 97.71 0.50 1.79 37.45 24.79 35.69 0.70 0.91 0.00 0.23 0.23 19 I C C 81.27 7.40 8.65 17.74 116.21 137.09 -90.92 133.90 95.46 2.78 1.77 73.41 18.39 3.37 0.74 0.96 0.00 1.14 1.99 20 K C C 148.54 2.01 13.42 16.47 115.97 -138.12 -87.88 141.03 97.16 1.72 1.12 79.35 15.71 1.99 0.49 0.56 0.00 0.71 1.20 21 K C C 123.75 6.48 10.37 18.54 114.32 -108.33 -78.24 134.77 99.16 0.49 0.35 83.20 15.44 0.56 0.17 0.14 0.00 0.19 0.29 22 P C C 63.30 7.38 8.96 18.12 113.86 -109.79 -65.78 148.84 92.77 0.63 6.60 83.58 4.80 4.70 2.23 3.94 0.00 0.27 0.48 23 R C C 185.64 1.25 11.30 13.11 95.71 -121.90 -66.87 -27.24 65.67 0.84 33.49 30.00 16.39 19.21 10.05 23.31 0.00 0.34 0.69 24 S C G 72.57 3.22 9.47 14.20 103.55 63.44 -84.66 5.60 56.02 0.81 43.16 21.18 13.96 20.75 12.86 30.32 0.01 0.35 0.56 25 Q H G 117.67 4.02 9.94 15.57 98.97 60.66 -78.29 -1.16 48.18 0.77 51.06 24.62 9.72 13.34 17.12 34.42 0.00 0.37 0.41 26 R C G 147.70 3.44 10.92 15.90 97.37 90.88 -75.56 -19.60 54.18 1.00 44.82 26.61 11.47 15.90 17.86 27.08 0.01 0.44 0.64 27 Y C C 105.83 7.87 9.11 18.22 103.97 58.49 -96.46 48.74 60.89 0.96 38.15 36.96 11.91 11.84 15.03 23.15 0.00 0.40 0.71 28 E H G 131.55 2.69 13.20 17.24 95.82 109.81 -68.19 -29.78 31.64 0.39 67.97 8.52 4.97 17.27 12.20 56.65 0.00 0.21 0.17 29 S H G 72.69 3.71 13.25 18.08 95.00 62.04 -76.05 -12.64 34.95 0.30 64.75 5.72 4.51 23.13 9.52 56.81 0.00 0.16 0.14 30 L H G 53.94 12.75 8.89 21.90 95.78 61.38 -90.70 -2.30 43.62 0.52 55.86 14.58 7.15 20.70 5.33 51.68 0.00 0.26 0.29 31 K C T 143.57 3.14 11.58 17.23 110.33 121.09 -64.35 129.91 96.80 0.30 2.89 4.18 4.29 88.68 0.93 1.50 0.00 0.12 0.30 32 G C T 65.75 0.61 14.74 13.64 95.33 18.59 83.26 0.02 98.99 0.10 0.91 2.81 6.20 90.04 0.13 0.72 0.00 0.06 0.04 33 V C C 53.97 11.35 7.33 19.28 119.83 119.33 -83.15 145.16 97.56 2.14 0.30 60.81 35.37 0.52 0.15 0.11 0.00 0.35 2.70 34 D C C 78.55 3.59 13.49 18.26 111.61 -105.78 -71.50 137.17 99.87 0.09 0.03 98.96 0.92 0.02 0.02 0.00 0.00 0.02 0.06 35 P H H 91.28 3.65 12.11 17.50 92.18 -126.12 -59.36 -34.68 5.13 0.00 94.87 0.33 0.36 4.34 93.84 1.12 0.00 0.00 0.00 36 K H H 131.57 2.15 14.91 17.34 91.89 54.69 -65.26 -39.34 2.35 0.00 97.65 0.16 0.16 1.96 96.56 1.15 0.00 0.00 0.00 37 F H H 87.49 5.70 13.87 20.94 92.45 48.95 -66.09 -40.53 0.60 0.00 99.40 0.13 0.05 0.33 98.62 0.86 0.00 0.00 0.00 38 L H H 63.69 6.10 14.19 22.07 91.95 51.22 -64.00 -41.79 0.24 0.00 99.76 0.04 0.01 0.13 99.55 0.26 0.00 0.00 0.00 39 R H H 124.64 2.75 17.54 20.39 91.88 50.14 -64.17 -41.57 0.49 0.00 99.51 0.05 0.02 0.34 99.38 0.21 0.00 0.00 0.00 40 N H H 71.43 4.97 16.69 22.54 91.99 49.38 -65.07 -40.49 1.58 0.00 98.42 0.11 0.07 1.25 98.32 0.25 0.00 0.00 0.00 41 M H H 69.21 7.34 15.86 24.61 92.10 51.38 -64.55 -40.97 1.39 0.00 98.60 0.21 0.10 0.88 98.30 0.50 0.00 0.00 0.00 42 R H H 115.45 3.33 18.10 21.63 91.96 50.96 -64.52 -41.45 1.56 0.00 98.44 0.23 0.12 1.01 97.87 0.77 0.00 0.00 0.00 43 F H H 94.42 3.55 17.16 21.23 91.99 49.65 -64.92 -41.31 1.80 0.01 98.20 0.31 0.17 1.13 97.29 1.10 0.00 0.00 0.00 44 A H H 32.72 7.82 12.96 22.87 91.77 52.39 -63.86 -39.76 2.56 0.01 97.43 0.48 0.25 1.58 95.92 1.75 0.00 0.00 0.01 45 K H H 123.13 3.41 15.50 19.87 92.13 52.23 -65.86 -34.13 6.79 0.03 93.18 0.73 0.53 5.20 89.95 3.55 0.01 0.01 0.01 46 K H H 141.82 1.66 15.58 16.90 92.58 53.13 -70.82 -28.82 14.88 0.05 85.07 1.04 1.15 12.51 82.53 2.70 0.03 0.02 0.03 47 H H H 109.75 5.11 12.04 18.38 101.00 44.46 -96.17 1.73 43.43 0.49 56.08 9.41 9.48 25.59 52.58 2.36 0.07 0.16 0.34 48 N C C 76.12 4.51 12.85 18.64 121.99 85.49 -97.50 160.23 68.66 1.03 30.30 54.53 5.62 6.72 30.21 1.91 0.00 0.34 0.67 49 K H H 147.50 2.45 12.95 16.62 92.95 -102.78 -62.19 -34.93 16.25 0.16 83.59 3.84 3.16 9.76 79.55 3.48 0.04 0.07 0.09 50 K H H 138.69 1.22 15.80 15.95 92.32 53.65 -65.48 -39.19 11.66 0.09 88.26 1.98 1.68 7.82 84.82 3.57 0.04 0.04 0.05 51 G H H 21.18 5.60 13.42 21.38 92.35 50.72 -63.67 -41.42 8.37 0.09 91.54 3.25 1.31 3.91 88.67 2.76 0.01 0.04 0.04 52 L H H 64.11 6.87 13.51 22.18 92.19 51.02 -64.03 -41.18 2.84 0.03 97.13 1.08 0.42 1.32 96.08 1.05 0.01 0.02 0.01 53 K H H 122.85 2.01 17.31 19.04 91.67 50.75 -64.74 -40.86 1.89 0.02 98.09 0.61 0.24 0.97 97.37 0.79 0.01 0.01 0.01 54 K H H 123.19 1.91 17.52 18.90 91.96 49.72 -64.89 -40.76 1.93 0.02 98.04 0.63 0.25 1.00 97.28 0.80 0.01 0.01 0.01 55 M H H 75.90 6.53 15.00 23.07 92.37 50.18 -65.06 -40.59 2.33 0.03 97.65 0.70 0.29 1.26 96.96 0.75 0.01 0.01 0.01 56 Q H H 96.96 4.00 16.50 21.37 92.07 50.44 -65.11 -39.43 4.08 0.03 95.89 1.00 0.47 2.42 95.22 0.85 0.01 0.02 0.01 57 A H H 60.71 2.32 16.75 18.92 92.59 51.27 -66.63 -38.88 8.31 0.04 91.64 1.55 0.97 5.33 91.14 0.97 0.01 0.02 0.02 58 N H H 87.86 3.25 16.30 20.04 94.72 49.74 -71.26 -34.26 21.27 0.11 78.62 3.98 2.64 13.75 78.54 0.97 0.01 0.04 0.07 59 N H H 77.03 5.61 15.06 21.89 95.19 56.98 -67.97 -37.71 17.26 0.09 82.65 7.16 2.21 7.16 82.57 0.81 0.00 0.03 0.06 60 A H H 61.37 3.11 16.06 19.71 92.45 54.41 -64.25 -41.32 2.15 0.01 97.84 0.65 0.28 0.97 97.71 0.38 0.00 0.00 0.00 61 K H H 135.47 1.47 17.74 18.25 92.13 50.04 -65.51 -40.49 1.16 0.00 98.83 0.29 0.13 0.62 98.60 0.36 0.00 0.00 0.00 62 A H H 46.45 4.45 15.69 21.55 92.12 50.38 -64.59 -41.40 0.73 0.00 99.26 0.18 0.08 0.38 99.08 0.28 0.00 0.00 0.00 63 M H H 88.16 4.73 16.36 22.07 92.05 49.62 -64.70 -41.17 0.49 0.00 99.51 0.11 0.04 0.25 99.46 0.14 0.00 0.00 0.00 64 A H H 59.51 2.39 17.52 19.71 91.89 50.54 -63.96 -41.02 0.54 0.00 99.46 0.10 0.04 0.29 99.47 0.10 0.00 0.00 0.00 65 A H H 56.67 2.43 17.34 19.65 92.02 50.02 -64.54 -41.01 0.51 0.00 99.48 0.09 0.03 0.29 99.50 0.09 0.00 0.00 0.00 66 R H H 123.21 3.59 16.79 21.06 92.20 50.03 -65.13 -40.61 0.47 0.00 99.53 0.08 0.03 0.26 99.55 0.08 0.00 0.00 0.00 67 A H H 50.90 3.52 15.44 20.01 91.86 50.98 -63.71 -41.47 0.33 0.00 99.67 0.05 0.02 0.18 99.68 0.07 0.00 0.00 0.00 68 E H H 111.67 1.67 16.71 17.58 92.00 50.35 -64.58 -41.16 0.25 0.00 99.75 0.03 0.01 0.15 99.74 0.06 0.00 0.00 0.00 69 A H H 55.26 2.56 14.44 17.64 92.17 50.38 -64.31 -40.82 0.38 0.00 99.62 0.04 0.02 0.24 99.57 0.13 0.00 0.00 0.00 70 I H H 89.20 3.45 12.56 17.30 92.28 49.54 -65.75 -39.86 0.66 0.00 99.34 0.08 0.04 0.43 99.15 0.31 0.00 0.00 0.00 71 K H H 139.36 1.74 12.23 14.71 92.23 52.59 -65.56 -36.22 2.56 0.00 97.43 0.20 0.13 1.95 96.68 1.04 0.00 0.00 0.00 72 A H H 85.63 1.01 10.97 11.98 92.64 54.51 -69.56 -28.15 20.57 0.02 79.41 0.79 0.72 18.89 77.83 1.74 0.01 0.01 0.01 73 L H H 125.28 1.74 9.96 12.50 96.01 52.85 -81.15 -14.71 46.41 0.12 53.46 7.71 1.09 35.32 54.05 1.70 0.00 0.04 0.08 74 V C C 93.27 5.68 10.82 17.62 104.79 73.97 -84.40 34.41 99.86 0.10 0.05 99.71 0.14 0.05 0.03 0.00 0.00 0.04 0.02