# 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 62.55 7.32 11.64 20.27 117.20 -144.85 -87.57 144.64 99.91 0.06 0.03 99.83 0.08 0.04 0.01 0.00 0.00 0.03 0.01 1 K C C 139.09 3.52 10.50 15.90 115.93 -140.61 -93.68 139.80 91.08 2.22 6.70 87.63 1.23 2.93 4.82 1.15 0.00 0.94 1.30 2 S C C 64.34 5.04 8.52 15.33 115.03 -123.13 -82.90 147.69 81.12 2.24 16.64 66.86 7.48 6.74 12.05 4.49 0.00 1.04 1.34 3 K C T 159.87 1.59 10.97 13.54 95.39 -124.59 -67.59 -24.23 61.83 0.96 37.21 20.00 14.80 28.03 26.61 9.48 0.04 0.44 0.60 4 N C H 99.33 3.79 10.80 16.14 100.31 56.17 -90.83 3.74 58.62 0.95 40.43 19.63 13.63 26.62 29.74 9.29 0.06 0.40 0.65 5 H H H 96.36 6.98 10.45 18.83 103.08 95.59 -80.43 -2.12 48.90 1.28 49.82 32.37 9.97 7.84 43.04 5.57 0.01 0.51 0.69 6 T H H 77.77 4.47 13.00 18.65 101.32 94.66 -80.97 -25.78 39.95 0.99 59.07 27.02 6.89 7.14 54.40 3.68 0.01 0.44 0.42 7 T H H 74.85 4.80 13.94 19.84 99.44 54.52 -78.53 -31.11 30.62 0.76 68.62 18.08 6.76 7.15 63.95 3.40 0.02 0.34 0.30 8 H H H 98.25 6.21 13.61 20.96 98.22 56.69 -73.81 -36.85 25.92 0.58 73.50 13.73 5.95 7.69 68.75 3.36 0.02 0.26 0.24 9 N H H 84.57 4.85 15.15 20.89 95.89 52.28 -71.10 -32.34 25.23 0.45 74.32 13.07 5.10 8.28 69.95 3.17 0.02 0.20 0.20 10 Q H H 89.74 5.31 15.21 21.58 94.86 53.60 -70.17 -33.02 21.75 0.35 77.91 10.65 4.49 7.57 74.46 2.52 0.01 0.15 0.15 11 S H H 42.37 7.65 13.11 22.37 95.85 54.78 -70.60 -34.01 19.72 0.30 79.99 11.56 3.24 5.54 77.52 1.89 0.01 0.13 0.12 12 R H H 129.49 3.05 15.65 19.31 93.35 59.59 -65.94 -39.30 9.83 0.14 90.03 3.96 1.75 4.35 88.28 1.51 0.02 0.07 0.06 13 K H H 100.11 3.51 15.21 19.56 92.77 52.37 -65.60 -40.86 5.36 0.10 94.53 1.91 0.95 2.74 92.98 1.32 0.02 0.05 0.04 14 W H H 89.69 7.82 11.97 21.49 92.79 50.83 -65.73 -40.63 3.00 0.07 96.93 0.99 0.44 1.67 95.14 1.70 0.01 0.04 0.02 15 H H H 111.95 4.36 12.92 18.56 94.03 47.23 -68.68 -38.09 3.78 0.08 96.14 0.95 0.47 2.41 93.88 2.19 0.03 0.05 0.02 16 R H H 163.08 1.51 13.97 15.41 95.98 45.99 -75.56 -34.83 8.47 0.07 91.45 0.98 0.98 6.52 89.53 1.87 0.05 0.03 0.04 17 N H H 98.78 3.06 12.63 16.64 100.55 29.76 -101.99 -2.97 27.45 0.13 72.42 2.28 4.32 20.88 71.23 1.10 0.06 0.04 0.10 18 G C C 49.41 3.31 12.68 17.26 97.85 -113.99 77.09 14.68 98.31 0.41 1.28 39.62 22.51 36.34 0.47 0.69 0.00 0.19 0.19 19 I C C 77.29 8.12 8.75 18.44 115.92 138.46 -89.95 133.95 95.84 2.86 1.30 75.53 17.27 2.73 0.54 0.71 0.00 1.15 2.06 20 K C C 146.60 2.13 13.77 16.95 116.33 -143.11 -91.13 141.75 97.68 1.58 0.74 81.81 14.18 1.55 0.30 0.39 0.00 0.65 1.13 21 K C C 121.13 6.75 10.21 18.60 114.27 -107.88 -79.78 135.72 99.34 0.43 0.24 83.72 15.21 0.45 0.10 0.11 0.00 0.16 0.26 22 P C C 62.44 6.83 9.10 17.87 113.83 -109.37 -65.65 149.08 94.10 0.57 5.33 85.53 4.63 4.19 1.63 3.33 0.00 0.23 0.46 23 R C G 188.72 1.12 10.69 12.38 94.75 -120.98 -64.53 -27.14 62.22 0.69 37.09 22.59 15.66 23.92 8.73 28.27 0.00 0.30 0.53 24 S C G 77.79 2.36 9.51 13.11 98.71 62.02 -82.04 -7.79 54.48 0.69 44.82 16.00 13.28 25.41 10.90 33.61 0.01 0.31 0.48 25 Q H G 114.65 4.25 9.49 15.38 99.32 55.94 -78.38 3.36 47.60 0.72 51.68 23.60 9.93 13.76 14.54 37.43 0.00 0.34 0.38 26 R C G 144.83 3.75 10.50 15.81 98.78 99.08 -76.02 -17.49 57.09 0.86 42.04 24.76 12.84 19.51 15.85 26.02 0.01 0.37 0.64 27 Y C C 110.26 7.24 9.46 18.04 104.70 54.84 -96.79 57.02 62.59 0.88 36.53 35.14 12.54 14.72 12.56 23.96 0.00 0.35 0.72 28 E H G 130.07 2.69 13.04 17.08 95.54 122.50 -67.55 -30.67 26.36 0.30 73.35 6.50 3.88 15.04 9.90 64.40 0.00 0.16 0.12 29 S H G 71.81 3.74 13.23 18.15 93.56 63.23 -73.58 -14.49 28.35 0.21 71.44 4.07 3.19 19.44 7.94 65.16 0.00 0.11 0.08 30 L H G 52.78 12.76 9.02 22.10 95.46 58.16 -91.14 -2.95 36.48 0.34 63.18 10.01 5.46 19.24 4.36 60.59 0.00 0.18 0.17 31 K C T 141.62 3.32 11.58 17.46 110.36 120.70 -64.44 130.24 97.45 0.23 2.32 3.17 3.57 91.09 0.67 1.19 0.00 0.09 0.24 32 G C T 65.73 0.60 14.87 13.68 95.12 19.49 83.46 0.02 99.26 0.08 0.66 1.93 5.15 92.24 0.09 0.53 0.00 0.04 0.03 33 V C C 53.08 11.39 7.32 19.32 120.05 117.95 -82.49 145.51 97.48 2.31 0.21 61.09 35.07 0.37 0.10 0.07 0.00 0.36 2.94 34 D C C 78.40 3.47 13.65 18.27 111.60 -104.90 -70.89 137.99 99.87 0.11 0.02 99.22 0.67 0.01 0.01 0.00 0.00 0.02 0.06 35 P H H 90.33 3.80 12.09 17.66 92.03 -126.17 -59.03 -35.03 4.47 0.00 95.52 0.23 0.25 3.97 94.67 0.87 0.00 0.00 0.00 36 K H H 132.39 2.10 14.93 17.23 91.87 54.54 -65.19 -39.34 1.77 0.00 98.23 0.09 0.09 1.54 97.40 0.88 0.00 0.00 0.00 37 F H H 89.88 5.29 14.04 20.60 92.23 49.03 -66.02 -40.84 0.31 0.00 99.69 0.05 0.02 0.18 99.23 0.52 0.00 0.00 0.00 38 L H H 64.10 6.03 14.16 21.95 91.97 51.28 -64.03 -41.89 0.12 0.00 99.88 0.01 0.01 0.07 99.77 0.14 0.00 0.00 0.00 39 R H H 124.03 2.79 17.37 20.30 91.75 50.11 -63.96 -41.62 0.23 0.00 99.77 0.01 0.01 0.17 99.71 0.10 0.00 0.00 0.00 40 N H H 73.65 4.66 16.77 22.09 91.91 49.32 -64.89 -40.74 0.75 0.00 99.25 0.05 0.03 0.59 99.21 0.12 0.00 0.00 0.00 41 M H H 71.28 6.85 15.97 24.19 91.99 50.85 -64.58 -41.09 0.63 0.00 99.37 0.08 0.04 0.41 99.22 0.25 0.00 0.00 0.00 42 R H H 114.14 3.37 17.97 21.63 91.93 50.74 -64.27 -41.52 0.75 0.00 99.25 0.09 0.05 0.51 98.93 0.43 0.00 0.00 0.00 43 F H H 94.84 3.48 17.15 21.06 91.90 49.61 -64.52 -41.39 0.89 0.00 99.11 0.13 0.07 0.58 98.62 0.60 0.00 0.00 0.00 44 A H H 35.04 7.11 13.22 22.38 91.65 52.14 -63.77 -40.18 1.17 0.00 98.83 0.17 0.09 0.73 98.13 0.88 0.00 0.00 0.00 45 K H H 122.03 3.38 15.46 19.79 92.06 51.52 -65.75 -35.47 3.88 0.01 96.11 0.34 0.25 3.01 94.48 1.91 0.00 0.00 0.00 46 K H H 141.12 1.68 15.59 17.00 92.53 52.33 -70.10 -30.87 10.17 0.02 89.81 0.46 0.59 8.96 88.48 1.48 0.01 0.00 0.01 47 H H H 113.69 4.50 12.60 18.17 100.67 40.90 -96.16 -4.87 36.40 0.28 63.31 5.45 6.82 24.38 61.42 1.60 0.05 0.08 0.20 48 N C C 76.25 4.50 12.87 18.68 123.00 81.30 -92.61 152.53 65.97 1.00 33.04 51.44 5.67 6.96 33.22 1.78 0.00 0.33 0.60 49 K H H 145.02 2.62 13.04 16.94 93.11 -106.68 -61.51 -35.59 12.69 0.11 87.20 2.92 2.28 7.55 84.53 2.59 0.03 0.04 0.06 50 K H H 137.22 1.27 15.91 16.16 92.39 53.65 -65.20 -39.72 8.65 0.06 91.30 1.41 1.15 5.75 88.93 2.68 0.03 0.02 0.03 51 G H H 21.35 5.24 13.59 21.15 92.07 50.68 -63.64 -41.73 6.10 0.05 93.85 2.14 0.87 3.01 91.94 1.98 0.01 0.02 0.02 52 L H H 64.80 6.30 13.74 21.84 92.01 50.88 -63.99 -41.32 1.35 0.01 98.65 0.46 0.16 0.60 98.35 0.42 0.00 0.00 0.00 53 K H H 121.39 2.15 17.05 19.12 91.55 50.74 -64.66 -41.10 0.69 0.00 99.30 0.18 0.07 0.35 99.16 0.24 0.00 0.00 0.00 54 K H H 125.06 1.82 17.49 18.69 91.78 49.87 -64.86 -41.11 0.56 0.00 99.44 0.14 0.05 0.29 99.34 0.18 0.00 0.00 0.00 55 M H H 84.28 4.98 15.99 22.10 92.13 49.70 -65.11 -41.27 0.42 0.00 99.58 0.09 0.04 0.22 99.55 0.10 0.00 0.00 0.00 56 Q H H 94.44 3.73 16.78 21.18 91.91 50.04 -64.27 -40.93 0.46 0.00 99.53 0.09 0.03 0.26 99.54 0.08 0.00 0.00 0.00 57 A H H 55.60 2.37 16.79 19.13 91.51 50.24 -63.93 -41.47 0.58 0.00 99.41 0.10 0.04 0.35 99.43 0.09 0.00 0.00 0.00 58 N H H 88.03 2.37 17.33 19.48 92.01 49.50 -65.14 -40.40 0.96 0.00 99.04 0.14 0.07 0.60 99.09 0.10 0.00 0.00 0.00 59 N H H 82.89 3.67 16.16 20.57 92.08 50.28 -65.16 -40.29 1.28 0.00 98.71 0.21 0.10 0.78 98.77 0.13 0.00 0.00 0.00 60 A H H 56.39 2.88 15.60 19.06 91.87 51.45 -63.93 -41.40 0.99 0.00 99.01 0.19 0.09 0.55 98.98 0.17 0.00 0.00 0.00 61 K H H 127.67 1.54 16.50 17.31 92.13 50.29 -65.10 -40.56 1.18 0.00 98.81 0.24 0.10 0.67 98.77 0.22 0.00 0.00 0.00 62 A H H 53.62 2.85 13.92 17.70 92.21 50.92 -64.83 -40.74 1.71 0.01 98.28 0.41 0.15 0.94 98.12 0.38 0.00 0.00 0.00 63 V H H 84.82 2.70 12.75 16.44 92.45 50.13 -65.47 -39.99 2.89 0.02 97.09 0.68 0.29 1.63 96.71 0.68 0.00 0.01 0.00 64 S H H 78.90 1.45 12.07 13.76 92.43 51.72 -66.38 -35.56 7.81 0.04 92.16 1.40 0.73 5.05 91.66 1.13 0.01 0.02 0.02 65 A H H 86.58 1.09 10.50 11.85 93.77 55.02 -70.30 -26.37 25.75 0.13 74.12 3.50 2.39 19.07 73.28 1.63 0.02 0.05 0.07 66 R C H 174.48 1.36 9.54 11.77 97.53 55.66 -83.73 -9.46 50.49 0.31 49.20 18.97 1.90 27.47 49.95 1.41 0.01 0.11 0.19 67 A C C 72.77 4.43 10.65 16.69 107.59 83.63 -77.06 109.15 99.86 0.04 0.10 99.67 0.10 0.12 0.08 0.00 0.00 0.02 0.01