# 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 E C C 142.10 2.38 12.59 16.18 113.25 -144.84 -88.94 129.57 99.91 0.08 0.01 99.65 0.27 0.04 0.00 0.00 0.00 0.03 0.01 1 R C C 126.46 6.02 8.14 15.86 116.34 -141.43 -93.04 136.92 99.22 0.60 0.19 98.16 1.08 0.13 0.14 0.02 0.00 0.24 0.23 2 P C C 73.53 3.14 10.44 15.27 114.34 -109.68 -66.97 152.58 92.11 2.66 5.23 89.58 1.35 0.90 5.29 0.29 0.00 0.75 1.85 3 F H H 151.84 2.12 10.35 13.76 92.63 -111.78 -60.41 -36.23 7.33 0.03 92.63 1.69 1.21 4.43 89.99 2.64 0.01 0.01 0.02 4 S H H 68.18 2.17 11.84 14.86 92.34 54.01 -65.39 -37.65 3.23 0.02 96.75 0.65 0.39 2.03 93.84 3.06 0.00 0.01 0.01 5 D H H 78.17 3.24 12.58 17.07 92.87 51.33 -66.73 -38.18 1.24 0.02 98.75 0.43 0.15 0.61 95.55 3.24 0.00 0.01 0.00 6 I H H 90.71 2.92 13.24 17.15 92.36 51.05 -65.39 -41.37 1.24 0.02 98.74 0.34 0.15 0.70 97.25 1.54 0.00 0.01 0.01 7 L H H 90.53 2.48 14.73 17.59 92.44 49.59 -65.58 -41.29 2.75 0.09 97.17 0.79 0.37 1.59 96.28 0.90 0.01 0.05 0.02 8 T H H 64.29 3.51 14.41 19.05 92.51 49.75 -65.51 -41.04 8.87 0.18 90.95 2.54 1.26 4.88 90.50 0.67 0.01 0.08 0.07 9 S H H 53.27 3.56 14.46 19.19 92.51 52.63 -64.62 -40.97 11.86 0.19 87.95 4.80 1.68 4.77 88.10 0.49 0.00 0.08 0.07 10 I H H 95.13 2.30 15.74 18.00 92.13 50.17 -65.17 -41.58 2.51 0.04 97.45 1.11 0.33 0.96 97.33 0.24 0.00 0.02 0.01 11 R H H 131.18 2.57 15.46 18.49 92.22 50.68 -65.34 -40.92 1.01 0.02 98.97 0.35 0.09 0.52 98.84 0.19 0.00 0.01 0.00 12 Y H H 116.47 3.79 14.64 19.51 92.25 50.21 -65.13 -41.23 0.45 0.01 99.54 0.12 0.04 0.25 99.46 0.12 0.00 0.01 0.00 13 W H H 140.23 2.59 15.21 18.31 92.05 50.63 -64.61 -41.64 0.25 0.01 99.75 0.05 0.02 0.14 99.71 0.07 0.00 0.01 0.00 14 V H H 81.26 2.39 15.56 18.14 92.08 48.83 -64.83 -42.22 0.30 0.01 99.69 0.04 0.02 0.20 99.65 0.08 0.00 0.01 0.00 15 I H H 84.93 3.56 14.76 19.34 92.32 48.20 -65.47 -41.58 0.64 0.01 99.35 0.10 0.05 0.44 99.24 0.16 0.00 0.01 0.00 16 H H H 103.70 4.13 14.03 19.44 92.59 49.42 -66.43 -38.30 1.83 0.01 98.16 0.16 0.11 1.47 97.83 0.43 0.00 0.00 0.00 17 S H H 67.54 2.68 14.78 17.99 94.36 48.15 -73.04 -35.49 8.65 0.01 91.34 0.33 0.41 8.00 90.19 1.05 0.01 0.00 0.01 18 I H H 103.91 2.43 15.03 17.68 100.72 37.04 -90.83 -36.58 34.29 0.05 65.66 0.70 1.73 31.60 64.31 1.55 0.04 0.01 0.04 19 T H H 64.82 5.03 14.08 20.42 99.91 39.21 -86.58 -30.42 30.12 0.07 69.81 2.19 2.27 25.04 68.61 1.78 0.03 0.02 0.06 20 V H H 70.66 5.07 14.05 20.61 93.46 59.86 -63.26 -43.25 5.94 0.02 94.05 1.98 1.17 2.54 93.52 0.78 0.00 0.00 0.01 21 P H H 73.04 2.98 16.01 19.56 92.29 49.75 -64.44 -40.17 3.31 0.01 96.68 1.17 0.32 1.65 95.95 0.90 0.00 0.01 0.01 22 S H H 56.31 3.41 15.95 20.07 92.39 50.99 -65.43 -39.94 0.73 0.00 99.26 0.17 0.06 0.42 98.48 0.87 0.00 0.00 0.00 23 L H H 80.86 5.16 15.21 21.59 92.39 50.76 -65.66 -40.76 0.50 0.00 99.49 0.07 0.03 0.33 99.02 0.54 0.00 0.00 0.00 24 F H H 110.06 4.40 16.17 21.33 92.22 49.27 -65.47 -41.24 1.13 0.02 98.85 0.12 0.08 0.87 98.49 0.42 0.01 0.01 0.00 25 I H H 94.73 2.47 17.42 19.71 92.09 48.85 -64.95 -41.72 0.91 0.01 99.08 0.12 0.07 0.64 98.97 0.19 0.00 0.00 0.00 26 A H H 52.46 3.53 16.72 21.03 91.87 50.58 -63.92 -40.89 1.23 0.00 98.77 0.12 0.07 0.93 98.54 0.34 0.00 0.00 0.00 27 G H H 25.88 6.83 14.71 23.31 91.95 51.35 -64.26 -40.61 2.02 0.00 97.98 0.14 0.09 1.64 97.60 0.51 0.00 0.00 0.00 28 W H H 131.86 3.96 16.47 21.15 91.98 51.02 -64.64 -41.26 1.29 0.01 98.70 0.13 0.09 0.99 97.91 0.87 0.01 0.00 0.00 29 L H H 92.32 2.40 16.93 19.23 92.02 50.11 -65.19 -41.11 1.94 0.03 98.03 0.21 0.17 1.53 97.00 1.05 0.02 0.01 0.01 30 F H H 95.18 4.52 14.85 20.65 92.73 48.46 -65.85 -40.80 4.92 0.15 94.92 0.86 0.65 3.62 93.10 1.57 0.07 0.08 0.05 31 V H H 67.74 6.67 13.24 21.37 92.88 49.94 -66.17 -39.89 9.55 0.32 90.12 1.78 1.34 6.93 87.07 2.43 0.15 0.18 0.12 32 S H H 75.83 2.57 14.55 17.66 92.96 52.67 -68.66 -30.02 19.85 0.22 79.93 2.14 2.07 16.01 77.26 2.18 0.11 0.11 0.11 33 T C T 83.27 2.68 13.91 17.08 96.45 48.33 -87.42 -8.86 64.79 0.25 34.96 2.37 6.57 54.12 34.28 2.34 0.04 0.09 0.20 34 G C T 43.31 5.13 12.85 19.57 96.17 -115.11 77.87 5.43 79.06 0.37 20.57 8.57 10.43 58.42 19.89 2.29 0.01 0.14 0.25 35 L H H 88.72 3.64 14.26 19.09 95.76 112.52 -71.35 -35.08 35.43 0.45 64.12 17.62 5.70 13.06 56.08 7.07 0.02 0.22 0.23 36 A H H 37.39 7.67 12.45 21.92 94.63 54.88 -67.92 -36.59 19.88 0.53 79.59 7.69 3.23 9.83 68.75 9.89 0.07 0.33 0.21 37 Y H H 110.64 5.81 12.72 20.09 93.96 56.30 -66.91 -38.14 9.01 0.38 90.61 2.79 1.57 4.99 78.02 12.17 0.08 0.27 0.11 38 D H H 102.23 2.23 13.59 16.56 94.10 53.76 -69.88 -31.95 9.22 0.32 90.47 2.46 1.36 5.48 79.19 11.12 0.07 0.22 0.08 39 V H H 101.22 2.80 12.56 16.29 97.31 49.44 -77.73 -33.32 15.08 0.36 84.56 2.47 2.32 10.66 75.53 8.46 0.19 0.20 0.16 40 F H H 135.53 3.49 10.98 15.75 102.00 38.34 -97.33 -3.98 33.47 0.89 65.64 4.94 7.43 23.07 59.52 3.71 0.39 0.34 0.59 41 G C T 51.01 2.83 12.23 16.31 108.70 -106.11 83.94 21.07 96.13 0.78 3.09 36.94 20.77 38.82 1.75 0.99 0.00 0.35 0.38 42 S C C 67.29 4.51 10.71 16.98 120.39 18.49 -99.01 145.98 98.64 1.24 0.13 64.22 34.00 0.61 0.04 0.08 0.00 0.50 0.56 43 P C C 86.92 5.00 11.02 17.69 113.44 -103.74 -68.57 147.17 98.40 1.44 0.16 78.72 18.83 0.74 0.05 0.10 0.00 0.53 1.02 44 R C C 135.74 4.94 10.09 16.91 115.62 -118.66 -88.76 131.79 98.91 0.87 0.22 90.55 7.90 0.39 0.08 0.11 0.00 0.29 0.68 45 P C G 91.54 4.57 10.04 16.37 101.49 -118.29 -64.72 -7.17 64.34 0.81 34.86 28.29 8.28 25.88 3.30 33.48 0.00 0.41 0.36 46 N C G 122.53 2.37 10.87 14.29 100.51 55.61 -86.68 5.10 60.13 0.91 38.96 16.42 10.64 32.38 4.28 35.38 0.00 0.47 0.42 47 E C G 121.27 3.75 10.92 16.37 112.24 93.14 -92.47 118.82 54.83 2.24 42.93 26.29 13.18 15.58 4.70 38.19 0.00 1.25 0.82 48 Y C C 133.63 5.63 10.22 17.47 115.85 70.50 -103.19 129.25 74.30 6.32 19.38 48.07 15.74 10.35 5.52 13.78 0.01 3.08 3.43 49 F C C 98.12 7.85 8.28 17.62 118.91 -137.01 -104.49 135.72 89.18 7.28 3.55 73.06 13.11 2.18 2.14 1.48 0.00 3.35 4.68 50 T C C 72.69 3.18 11.27 15.88 120.38 -145.98 -93.54 161.94 94.67 2.14 3.20 81.67 10.94 1.92 2.28 0.95 0.00 1.01 1.23 51 E H H 147.34 1.67 10.34 13.09 93.07 -104.22 -61.48 -36.02 45.22 0.48 54.30 7.12 9.49 27.25 29.87 25.62 0.07 0.22 0.37 52 D H T 117.51 0.95 11.08 11.80 93.55 55.20 -71.02 -23.18 46.29 0.39 53.32 6.93 7.32 29.98 28.76 26.46 0.05 0.18 0.31 53 R H H 110.21 6.70 8.52 16.67 97.12 51.61 -88.06 -9.23 40.07 1.18 58.75 13.54 7.55 18.34 30.62 28.66 0.07 0.57 0.65 54 Q C H 108.79 5.13 9.88 16.73 94.51 82.56 -67.90 -25.81 58.48 1.12 40.40 23.58 10.75 25.14 26.78 12.50 0.04 0.50 0.71 55 D C T 121.67 1.03 13.05 13.52 97.70 54.79 -88.63 4.10 73.35 1.35 25.30 27.69 13.49 33.06 14.99 9.37 0.02 0.66 0.72 56 A C C 53.06 6.42 8.54 16.88 115.60 103.04 -83.89 140.43 92.91 1.48 5.61 54.44 36.73 1.79 4.85 0.92 0.00 0.65 0.62 57 P C C 86.74 3.93 12.09 17.48 110.92 -108.36 -67.51 144.30 82.86 7.29 9.84 77.89 2.77 2.26 8.38 1.73 0.00 3.97 2.99 58 L C C 107.05 4.96 10.77 17.34 112.63 -130.01 -85.46 131.05 66.48 13.54 19.98 48.74 12.61 5.27 17.19 3.58 0.05 7.38 5.18 59 I C C 94.96 6.05 9.79 17.43 111.23 -130.92 -90.05 118.85 49.73 14.37 35.90 38.73 6.93 4.67 31.63 4.53 0.05 10.34 3.11 60 T H H 82.88 3.75 11.82 16.90 105.23 98.77 -87.36 -22.52 40.33 4.76 54.91 27.49 6.54 7.23 49.47 4.71 0.02 3.70 0.84 61 D H H 91.98 2.92 13.24 16.89 101.33 46.73 -77.87 -8.49 35.85 1.76 62.40 22.38 5.66 8.99 56.70 4.64 0.02 1.14 0.47 62 R H H 129.55 5.30 11.71 18.49 94.37 59.59 -66.20 -35.80 15.85 0.45 83.70 7.77 2.88 5.99 78.46 4.47 0.02 0.28 0.14 63 F H H 121.16 2.72 13.88 17.20 93.11 52.50 -66.60 -37.97 11.35 0.26 88.39 5.00 1.95 4.86 84.73 3.22 0.01 0.15 0.08 64 N H H 87.41 2.18 15.53 17.62 92.71 51.33 -65.89 -38.75 9.65 0.14 90.21 5.41 1.53 3.15 88.33 1.47 0.00 0.07 0.04 65 A H H 41.99 4.86 12.87 19.75 92.39 53.66 -64.07 -41.28 2.84 0.03 97.14 1.27 0.37 1.11 96.66 0.56 0.00 0.01 0.01 66 L H H 82.38 3.47 14.61 19.15 92.12 50.44 -64.70 -40.89 1.04 0.01 98.95 0.39 0.13 0.48 98.67 0.33 0.00 0.00 0.00 67 E H H 105.43 1.73 15.81 16.96 91.92 50.56 -64.74 -40.60 0.79 0.01 99.20 0.28 0.09 0.37 98.98 0.27 0.00 0.00 0.00 68 Q H H 93.56 2.43 14.58 17.50 91.99 50.73 -64.94 -40.87 0.77 0.01 99.22 0.26 0.08 0.39 99.03 0.24 0.00 0.00 0.00 69 V H H 74.37 3.18 12.79 17.27 92.02 50.04 -64.74 -41.30 0.80 0.01 99.19 0.26 0.08 0.41 99.00 0.25 0.00 0.00 0.00 70 K H H 123.65 1.50 13.54 14.91 91.84 50.81 -64.60 -39.93 1.27 0.01 98.72 0.33 0.11 0.70 98.51 0.33 0.00 0.00 0.00 71 K H H 128.24 1.31 12.59 13.71 92.22 50.40 -65.68 -38.87 3.04 0.01 96.95 0.57 0.25 1.99 96.53 0.64 0.00 0.01 0.00 72 L H H 103.50 2.11 10.15 13.40 93.19 51.19 -68.09 -34.69 6.47 0.02 93.51 1.04 0.60 4.39 93.10 0.85 0.01 0.01 0.01 73 S H H 82.76 1.52 9.23 11.67 95.19 54.60 -74.48 -18.92 23.71 0.12 76.17 3.85 2.58 16.44 75.98 1.02 0.02 0.04 0.08 74 A C H 87.47 1.31 8.17 10.45 99.00 65.68 -79.93 -7.01 60.28 0.22 39.50 22.77 1.75 32.65 41.45 1.16 0.00 0.07 0.15 75 Q C C 134.82 2.05 9.33 12.91 106.77 102.99 -83.17 101.26 99.95 0.01 0.03 99.79 0.08 0.09 0.02 0.00 0.00 0.01 0.00