# 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 98.19 6.00 13.43 20.48 107.22 -130.24 -85.90 99.45 99.49 0.17 0.33 99.37 0.13 0.11 0.26 0.02 0.00 0.07 0.05 1 A C H 63.23 5.06 10.71 17.20 95.72 112.64 -67.44 -32.93 50.76 0.75 48.50 43.63 1.03 5.60 47.81 1.30 0.00 0.31 0.32 2 E H H 132.20 1.98 11.71 14.47 94.42 58.79 -68.39 -34.56 31.07 0.52 68.42 19.75 4.22 7.03 67.06 1.52 0.00 0.22 0.19 3 R H H 144.48 2.08 12.82 15.46 93.71 53.97 -67.30 -38.98 11.46 0.27 88.27 7.30 1.73 2.92 86.61 1.23 0.00 0.13 0.08 4 V H H 72.93 4.63 13.15 19.07 92.81 50.73 -66.31 -40.82 4.33 0.10 95.57 2.63 0.58 1.27 94.74 0.71 0.00 0.05 0.02 5 A H H 46.35 4.76 13.76 20.21 92.11 51.79 -63.82 -40.96 1.69 0.03 98.29 0.83 0.21 0.64 97.94 0.37 0.00 0.01 0.00 6 A H H 53.45 2.55 15.99 18.82 91.88 50.91 -64.37 -41.08 0.82 0.01 99.17 0.29 0.09 0.39 98.99 0.23 0.00 0.00 0.00 7 F H H 103.88 3.48 16.11 20.30 92.33 49.86 -64.80 -41.83 0.52 0.01 99.48 0.15 0.05 0.28 99.36 0.15 0.00 0.00 0.00 8 L H H 68.58 7.33 14.68 23.31 92.39 49.37 -65.28 -41.01 0.53 0.01 99.46 0.13 0.05 0.31 99.36 0.15 0.00 0.00 0.00 9 K H H 113.30 3.60 16.53 20.87 92.17 50.74 -64.65 -40.99 0.85 0.01 99.15 0.14 0.06 0.57 99.00 0.21 0.00 0.00 0.00 10 N H H 91.71 1.96 17.32 18.58 92.59 49.22 -65.72 -39.96 2.14 0.01 97.85 0.23 0.13 1.68 97.51 0.43 0.00 0.00 0.00 11 V H H 57.37 5.96 14.32 21.98 92.58 50.06 -65.78 -39.97 5.81 0.01 94.17 0.50 0.38 4.74 92.89 1.46 0.01 0.00 0.01 12 W H H 103.64 9.32 12.32 22.82 92.43 51.73 -68.95 -31.05 20.40 0.10 79.50 2.12 1.54 16.44 76.10 3.64 0.04 0.04 0.06 13 A H H 75.83 2.79 14.16 17.82 92.56 59.23 -73.86 -18.37 48.47 0.25 51.28 4.99 4.11 38.10 49.44 3.06 0.03 0.11 0.16 14 K C T 146.34 1.72 14.08 15.84 100.44 58.60 -88.40 -12.86 64.94 0.62 34.44 9.93 15.84 38.50 32.06 2.99 0.04 0.22 0.41 15 E C S 100.18 5.74 11.44 18.68 118.96 9.62 -106.73 134.32 93.26 0.83 5.91 28.80 59.68 4.37 5.58 0.76 0.00 0.26 0.55 16 P C C 72.81 4.89 12.93 19.35 109.70 -104.15 -68.03 137.07 88.22 1.31 10.47 78.80 3.77 4.79 10.07 1.30 0.00 0.57 0.70 17 V H H 83.25 7.31 11.75 20.43 95.51 -137.02 -65.63 -35.46 24.88 1.44 73.68 15.13 5.03 6.44 69.93 2.24 0.03 0.61 0.58 18 L H H 107.02 2.57 14.67 17.80 92.90 55.55 -65.03 -39.01 11.30 0.61 88.08 4.02 1.92 6.03 85.05 2.36 0.07 0.40 0.15 19 V H H 83.26 2.51 16.01 18.52 92.85 48.84 -66.86 -40.53 5.48 0.31 94.21 2.26 0.76 2.72 91.87 2.08 0.02 0.23 0.06 20 A H H 38.13 7.12 14.03 22.90 92.07 51.50 -64.44 -41.55 1.91 0.07 98.02 0.79 0.26 0.87 96.92 1.11 0.00 0.05 0.01 21 S H H 44.37 6.94 14.82 23.28 92.00 51.07 -64.38 -40.84 1.47 0.03 98.50 0.44 0.15 0.78 97.80 0.80 0.00 0.02 0.00 22 F H H 122.21 2.39 17.85 19.99 92.29 49.97 -65.74 -40.32 1.43 0.02 98.55 0.28 0.12 0.91 97.95 0.73 0.00 0.01 0.00 23 A H H 54.86 3.84 17.24 21.57 92.13 50.47 -65.07 -41.22 2.12 0.03 97.85 0.37 0.17 1.43 97.27 0.73 0.01 0.01 0.01 24 I H H 71.73 7.73 16.01 24.65 92.62 49.09 -65.62 -40.93 2.51 0.02 97.47 0.35 0.20 1.80 96.79 0.83 0.01 0.01 0.01 25 A H H 52.59 5.29 16.16 22.52 91.82 51.80 -63.63 -41.03 4.13 0.02 95.85 0.39 0.27 3.32 93.81 2.18 0.01 0.01 0.01 26 G H H 39.27 2.35 17.41 19.46 91.99 50.47 -64.99 -39.79 9.57 0.02 90.41 0.54 0.45 8.60 86.51 3.86 0.02 0.01 0.01 27 L H H 80.79 4.81 15.67 21.45 92.71 50.42 -68.04 -36.13 5.98 0.03 93.99 0.61 0.45 4.59 85.63 8.68 0.02 0.02 0.01 28 A H H 43.50 8.76 12.31 22.49 92.24 57.65 -64.68 -36.00 8.31 0.08 91.62 0.82 0.58 6.09 74.33 18.07 0.03 0.05 0.03 29 V H H 103.93 2.18 15.48 17.93 93.06 52.30 -71.95 -28.21 21.09 0.09 78.82 0.81 0.97 18.48 62.51 17.06 0.07 0.05 0.06 30 I H H 117.23 2.01 14.72 16.69 95.88 48.95 -81.69 -23.18 29.70 0.24 70.06 1.63 2.92 24.63 58.48 11.81 0.24 0.11 0.18 31 L H H 76.43 7.89 10.26 19.47 107.15 74.44 -85.41 84.26 45.33 0.92 53.75 23.40 14.04 8.68 28.82 24.17 0.02 0.38 0.49 32 P H G 83.82 5.29 12.08 18.86 95.39 61.95 -67.08 -25.57 22.64 0.51 76.85 8.05 3.14 10.88 24.52 52.94 0.01 0.33 0.14 33 T H G 101.72 2.30 13.52 16.45 95.38 57.24 -78.08 -12.60 24.40 0.74 74.86 5.52 3.75 14.40 24.62 50.98 0.05 0.44 0.24 34 L H G 107.24 4.18 12.54 17.93 101.19 55.65 -90.12 0.84 38.81 2.20 58.99 11.14 9.98 19.16 19.53 37.83 0.14 1.09 1.12 35 S C C 46.10 9.39 9.50 20.15 113.65 97.26 -100.90 118.76 92.83 2.54 4.63 50.42 38.87 3.62 2.84 1.59 0.00 0.87 1.78 36 P C C 84.66 4.66 13.45 19.45 98.78 -145.27 -68.17 -18.04 79.93 1.71 18.36 30.66 23.77 26.24 12.01 5.60 0.02 0.73 0.96 37 Y C C 130.67 5.98 12.35 19.62 101.99 57.00 -88.72 10.69 68.94 2.84 28.22 31.93 16.93 21.10 21.25 6.00 0.06 1.22 1.52 38 T C H 63.81 6.06 12.51 20.13 112.45 99.72 -82.12 156.15 50.20 1.72 48.08 33.64 9.39 8.07 43.47 3.86 0.02 0.70 0.86 39 K H H 142.03 2.25 14.94 17.43 93.49 -90.83 -65.00 -36.37 11.28 0.20 88.52 4.29 2.69 5.08 85.96 1.76 0.03 0.09 0.09 40 Y H H 122.88 3.89 15.55 20.27 93.18 51.14 -67.61 -39.42 5.06 0.10 94.84 1.68 0.83 2.70 93.36 1.33 0.02 0.05 0.03 41 S H H 31.60 9.25 12.93 23.92 92.54 51.88 -65.18 -40.59 2.28 0.04 97.67 0.94 0.30 1.01 96.89 0.81 0.00 0.02 0.01 42 L H H 76.48 4.89 15.71 21.85 92.19 51.32 -64.78 -40.75 1.12 0.03 98.85 0.38 0.12 0.56 98.41 0.51 0.00 0.02 0.00 43 M H H 94.91 2.65 17.22 19.87 92.26 49.95 -65.32 -41.04 0.99 0.03 98.98 0.27 0.10 0.55 98.55 0.51 0.00 0.02 0.00 44 I H H 66.50 6.64 14.88 23.05 92.42 49.27 -65.72 -40.92 1.19 0.02 98.79 0.24 0.10 0.73 98.34 0.56 0.00 0.01 0.00 45 N H H 65.30 9.35 13.00 23.51 92.32 51.79 -66.17 -35.22 3.49 0.02 96.49 0.45 0.25 2.60 95.59 1.09 0.00 0.01 0.01 46 R H H 162.74 2.17 15.79 18.40 92.33 53.38 -70.87 -27.22 11.48 0.02 88.50 0.45 0.52 10.68 87.11 1.20 0.01 0.01 0.01 47 A H H 73.03 3.11 14.27 17.98 96.57 48.12 -83.35 -13.64 22.44 0.08 77.49 1.10 2.21 19.29 76.31 0.95 0.05 0.02 0.06 48 T C S 51.95 8.97 10.32 20.86 119.04 59.41 -118.63 123.66 98.01 1.33 0.66 40.38 56.80 0.84 0.43 0.18 0.00 0.38 0.98 49 P C T 87.80 4.71 13.52 19.76 96.76 -146.43 -68.15 -16.50 80.44 1.96 17.60 25.92 11.07 42.49 1.49 17.21 0.00 1.14 0.68 50 Y C T 126.74 7.57 12.36 21.01 109.22 67.02 -91.76 86.37 80.00 4.16 15.84 18.07 14.96 46.42 1.35 15.35 0.01 2.46 1.37 51 N C C 97.09 5.46 14.75 21.63 109.13 101.39 -98.59 93.86 77.96 6.06 15.98 44.02 19.24 13.51 1.87 15.45 0.00 3.22 2.69 52 Y C C 94.64 11.02 10.57 22.42 116.91 -149.36 -102.27 127.42 91.52 7.25 1.23 60.83 27.17 3.36 0.41 0.89 0.00 3.37 3.97 53 P C S 89.44 4.72 14.76 20.63 98.48 -142.95 -72.76 -10.96 95.89 3.14 0.97 42.87 47.14 6.20 0.27 0.67 0.00 1.64 1.21 54 V C S 72.26 7.66 10.03 19.28 119.72 82.71 -105.25 134.40 91.06 6.42 2.51 33.61 52.50 5.29 1.01 1.26 0.00 2.96 3.36 55 P C C 83.27 4.43 12.23 18.24 111.58 -109.76 -67.05 148.30 88.68 5.05 6.27 66.79 12.68 8.94 1.81 4.53 0.00 2.95 2.31 56 L C C 116.70 4.06 10.13 15.99 111.91 -122.07 -87.55 126.87 77.59 10.22 12.18 46.98 17.36 13.26 3.60 8.41 0.03 4.89 5.47 57 R C C 151.73 3.91 10.22 15.83 111.50 -131.16 -90.74 118.99 77.61 9.96 12.43 43.34 17.83 16.64 3.17 9.09 0.02 5.08 4.82 58 D C C 91.49 5.10 9.39 16.12 108.17 -136.65 -92.98 97.72 81.41 7.51 11.08 41.99 19.57 20.06 2.29 8.62 0.01 3.55 3.90 59 D C T 104.85 3.25 11.16 15.86 100.35 -163.88 -89.76 10.50 87.23 3.22 9.55 29.25 21.64 36.40 1.57 7.80 0.01 1.50 1.82 60 G C T 48.43 4.81 10.69 17.04 100.91 -108.59 79.17 4.87 91.02 1.81 7.17 21.58 28.35 40.61 0.84 6.78 0.00 0.87 0.97 61 N C C 113.42 2.50 11.60 15.36 102.82 109.14 -89.42 19.12 90.23 4.54 5.24 37.58 32.46 19.89 0.73 4.84 0.00 2.01 2.49 62 M C C 87.78 7.44 8.74 17.62 110.49 75.10 -101.23 104.53 91.72 7.05 1.23 62.01 26.54 2.69 0.32 1.01 0.00 2.78 4.64 63 P C T 90.71 4.09 11.70 17.46 101.89 -149.11 -68.84 -9.01 94.45 2.98 2.57 28.53 14.25 51.65 0.34 2.39 0.00 1.78 1.06 64 D C T 117.63 2.20 13.00 16.20 100.32 34.40 -90.09 15.19 95.46 2.50 2.03 22.00 19.71 53.70 0.24 2.04 0.00 1.56 0.76 65 V C S 72.11 7.99 10.25 19.93 119.18 111.65 -103.28 133.77 92.39 6.86 0.75 44.74 45.93 1.96 0.21 0.51 0.00 2.71 3.93 66 P C C 71.30 6.62 12.45 20.77 114.20 -106.69 -67.23 149.92 94.03 4.87 1.10 80.05 9.16 4.33 0.25 1.00 0.00 2.45 2.76 67 S C C 75.46 5.41 12.72 19.62 104.28 -127.66 -81.73 14.16 95.01 3.68 1.31 52.16 37.69 4.94 0.30 1.04 0.00 1.45 2.42 68 H C C 102.54 6.11 12.25 19.91 117.28 -116.57 -105.77 127.32 95.09 3.26 1.64 59.52 30.56 4.50 0.30 1.43 0.00 1.15 2.54 69 P C T 74.88 7.79 10.79 20.00 103.82 -124.46 -67.22 79.30 95.33 0.87 3.80 30.47 13.26 50.94 0.36 4.08 0.00 0.46 0.42 70 Q C T 137.57 2.29 12.57 15.94 101.81 -88.98 -88.61 5.01 94.16 1.79 4.05 24.75 18.68 50.22 0.43 4.15 0.00 0.88 0.88 71 D C C 70.91 6.03 10.06 18.05 113.61 100.82 -90.31 125.17 95.90 3.14 0.96 54.84 38.40 2.24 0.27 0.65 0.00 0.95 2.65 72 P C T 104.09 3.54 11.29 16.78 94.79 -143.33 -67.36 -12.74 97.49 0.59 1.93 19.68 22.69 54.99 0.28 1.75 0.00 0.32 0.29 73 Q C T 126.56 2.99 12.67 16.77 100.43 65.44 -90.01 -3.06 92.05 4.81 3.14 19.99 24.16 48.26 0.64 2.41 0.01 2.45 2.07 74 G C S 26.38 7.95 13.12 22.44 128.47 -116.31 113.72 -172.61 92.86 5.49 1.65 29.05 60.34 3.58 0.66 0.82 0.00 2.24 3.31 75 P C C 73.20 6.63 15.43 23.04 110.25 -34.30 -69.78 142.81 92.19 3.12 4.69 62.65 21.65 7.90 2.51 1.99 0.00 1.38 1.91 76 S C C 42.41 8.89 14.67 24.84 117.23 -141.39 -89.72 151.71 79.74 3.62 16.64 64.48 9.46 4.74 14.95 2.33 0.00 1.13 2.91 77 L H H 70.98 9.73 12.68 23.52 94.76 -121.13 -66.62 -27.41 16.67 0.37 82.96 8.71 3.47 6.09 74.55 6.79 0.03 0.19 0.18 78 E H H 108.64 2.44 15.87 18.60 92.21 67.56 -63.56 -38.13 6.16 0.11 93.73 1.79 0.85 3.45 82.95 10.84 0.02 0.08 0.03 79 W H H 89.80 6.89 12.37 21.25 92.40 53.40 -64.87 -39.67 3.60 0.06 96.35 0.85 0.42 2.12 83.34 13.20 0.01 0.04 0.01 80 L H H 62.12 10.24 10.47 21.70 92.89 52.51 -67.27 -35.38 4.62 0.05 95.33 1.05 0.55 2.74 82.38 13.22 0.01 0.03 0.02 81 K H H 137.51 2.68 12.09 16.10 92.64 56.48 -67.45 -29.76 24.18 0.17 75.65 2.59 2.06 18.89 65.93 10.28 0.06 0.08 0.11 82 R C H 170.71 1.41 12.36 13.96 96.25 52.39 -81.97 -9.22 52.79 0.18 47.03 12.29 1.25 38.96 42.13 5.14 0.00 0.06 0.15 83 L C C 83.92 9.67 9.99 20.27 101.03 91.87 -72.69 8.46 99.66 0.04 0.30 98.86 0.30 0.51 0.29 0.02 0.00 0.02 0.02