# 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 108.20 7.24 12.48 20.89 115.62 -144.07 -87.36 137.42 99.89 0.10 0.02 99.81 0.08 0.04 0.00 0.00 0.00 0.04 0.02 1 A C C 75.54 5.01 10.35 16.99 109.78 -136.59 -82.85 118.50 90.34 5.49 4.16 84.86 1.83 4.14 1.38 2.12 0.00 2.80 2.88 2 S C C 83.50 2.98 9.93 14.60 109.80 -138.73 -88.99 110.91 86.03 6.81 7.17 51.43 16.63 17.86 1.29 6.09 0.00 3.85 2.84 3 G C C 51.78 3.83 10.69 16.07 108.22 -107.24 97.15 17.40 86.91 6.13 6.97 42.99 22.89 21.30 1.09 6.03 0.00 3.29 2.41 4 W C C 164.06 4.69 10.27 16.52 110.94 95.88 -95.89 112.27 80.75 11.92 7.33 45.44 21.90 13.55 1.85 5.36 0.02 5.19 6.69 5 G C C 39.00 5.81 11.09 18.39 122.51 25.46 107.82 172.41 85.23 8.62 6.16 49.70 22.81 12.75 1.51 4.62 0.00 3.62 4.98 6 I C T 124.66 4.06 10.91 16.26 98.46 -68.99 -75.87 -18.96 87.72 2.55 9.72 14.79 24.12 48.98 1.62 7.70 0.01 1.31 1.48 7 T C T 104.43 2.09 11.41 14.44 104.46 49.19 -95.59 14.33 87.58 2.52 9.90 12.87 22.79 51.91 1.70 7.93 0.01 1.34 1.45 8 G C S 45.63 4.88 10.87 17.29 112.66 63.51 79.69 -23.96 89.12 3.56 7.32 32.63 38.04 18.26 1.20 6.06 0.00 1.51 2.30 9 N C C 110.31 3.44 12.19 17.07 112.63 6.31 -88.05 133.07 93.16 4.22 2.62 52.68 29.34 10.98 0.59 2.09 0.00 1.80 2.53 10 K C C 135.30 4.50 12.67 18.86 111.77 -114.86 -86.37 126.66 92.77 4.88 2.36 65.11 21.03 5.88 0.71 1.68 0.00 1.98 3.60 11 G C C 30.87 8.41 11.98 21.59 123.09 -137.93 -84.23 170.54 92.96 3.86 3.19 68.01 19.41 4.51 1.36 1.75 0.00 1.27 3.70 12 R C T 151.05 4.27 15.87 21.18 94.29 -88.61 -67.37 -24.61 94.33 0.48 5.18 2.26 10.36 82.08 1.86 2.81 0.00 0.24 0.39 13 C C T 31.85 14.68 12.13 27.24 97.15 49.71 -97.92 3.75 94.00 0.13 5.87 4.26 5.23 85.03 3.14 2.17 0.00 0.05 0.12 14 Y H H 90.21 8.79 14.07 24.65 92.64 102.18 -59.58 -41.13 3.10 0.01 96.89 1.15 0.53 1.30 96.29 0.71 0.00 0.00 0.00 15 D H H 95.74 1.95 19.43 20.61 91.65 51.88 -64.63 -38.33 0.62 0.00 99.38 0.07 0.03 0.40 99.21 0.30 0.00 0.00 0.00 16 F H H 62.55 10.62 16.86 28.44 92.25 50.60 -65.69 -41.31 0.22 0.00 99.78 0.02 0.01 0.14 99.60 0.24 0.00 0.00 0.00 17 W H H 63.36 13.96 15.62 29.97 92.18 51.85 -64.36 -41.56 0.08 0.00 99.92 0.01 0.00 0.05 99.89 0.05 0.00 0.00 0.00 18 M H H 93.51 3.35 20.30 23.55 91.87 50.60 -63.86 -41.13 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 19 D H H 69.03 4.67 19.92 25.08 91.98 50.28 -64.70 -41.02 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 20 F H H 36.50 15.61 15.77 31.80 92.10 50.80 -64.87 -41.24 0.10 0.00 99.90 0.00 0.00 0.07 99.89 0.03 0.00 0.00 0.00 21 S H H 45.85 7.64 18.73 27.35 91.63 51.86 -63.49 -40.76 0.17 0.00 99.83 0.01 0.00 0.14 99.80 0.05 0.00 0.00 0.00 22 E H H 111.59 1.82 21.34 21.50 91.95 50.37 -65.05 -40.77 0.82 0.00 99.18 0.02 0.02 0.78 98.82 0.35 0.00 0.00 0.00 23 C H H 29.11 10.02 15.22 27.09 92.02 50.80 -64.57 -40.62 1.18 0.00 98.82 0.04 0.04 1.06 97.63 1.24 0.00 0.00 0.00 24 M H H 59.81 12.66 13.46 26.69 91.72 53.48 -65.73 -33.55 2.67 0.00 97.33 0.12 0.12 2.21 91.34 6.22 0.00 0.00 0.00 25 S H H 81.20 1.91 16.90 18.70 91.46 57.29 -69.94 -24.09 19.69 0.01 80.30 0.26 0.41 19.70 74.60 5.01 0.01 0.00 0.01 26 H H H 138.00 2.00 15.94 17.97 97.78 43.63 -95.26 -8.29 42.00 0.02 57.98 0.68 1.44 40.05 54.28 3.49 0.01 0.01 0.02 27 C C C 33.13 14.20 7.13 21.03 123.47 82.82 -107.08 144.65 97.49 0.42 2.09 85.81 8.75 2.48 2.00 0.29 0.00 0.09 0.58 28 R C S 192.24 0.84 15.53 15.40 96.04 -155.58 -87.29 -21.15 99.81 0.11 0.08 26.29 72.28 1.27 0.03 0.03 0.00 0.04 0.06 29 E C S 103.44 3.02 15.72 19.46 121.35 44.42 -122.00 129.39 99.71 0.18 0.11 28.19 71.31 0.23 0.06 0.02 0.00 0.03 0.17 30 P H G 69.51 11.01 10.60 22.44 92.32 -133.04 -59.27 -34.94 12.79 0.03 87.18 0.90 0.98 10.66 23.78 63.66 0.00 0.02 0.01 31 K H G 151.11 1.50 16.46 17.90 91.08 59.30 -65.97 -29.61 8.70 0.01 91.28 0.48 0.51 7.69 25.77 65.54 0.00 0.01 0.00 32 D H G 81.60 4.29 16.64 21.79 92.55 55.68 -76.18 -20.00 7.65 0.03 92.33 0.74 0.69 5.79 30.04 62.72 0.00 0.02 0.01 33 C H H 13.56 18.18 10.12 28.22 96.89 57.60 -87.86 -9.50 26.22 0.23 73.55 9.05 4.63 11.97 43.73 30.33 0.01 0.09 0.18 34 T H H 66.72 5.53 17.75 24.55 92.53 89.33 -60.60 -41.66 2.49 0.01 97.50 0.95 0.35 1.04 96.57 1.09 0.00 0.00 0.00 35 L H H 91.64 2.65 20.58 22.55 91.74 50.68 -64.53 -40.37 0.79 0.00 99.20 0.13 0.05 0.50 98.26 1.05 0.00 0.00 0.00 36 L H H 39.23 13.60 16.83 30.95 92.16 50.20 -65.65 -40.79 0.42 0.00 99.58 0.06 0.02 0.27 98.82 0.83 0.00 0.00 0.00 37 R H H 79.85 13.04 17.47 30.50 91.64 52.28 -63.02 -41.81 0.30 0.00 99.70 0.04 0.02 0.17 99.56 0.21 0.00 0.00 0.00 38 E H H 109.42 2.29 22.11 23.23 91.58 50.10 -64.49 -40.99 0.44 0.00 99.56 0.04 0.02 0.30 99.55 0.10 0.00 0.00 0.00 39 D H H 58.22 6.71 19.30 27.01 91.85 49.63 -64.92 -41.48 0.53 0.00 99.47 0.05 0.03 0.36 99.43 0.12 0.00 0.00 0.00 40 Y H H 40.70 15.96 16.09 32.28 91.99 50.11 -64.22 -42.25 0.49 0.00 99.50 0.07 0.04 0.33 99.33 0.23 0.00 0.00 0.00 41 L H H 74.16 6.08 19.85 26.65 91.70 50.10 -63.89 -40.99 0.70 0.01 99.29 0.09 0.06 0.50 98.85 0.49 0.00 0.00 0.00 42 E H H 91.66 3.11 19.95 22.83 91.80 50.85 -64.62 -40.87 1.59 0.00 98.41 0.13 0.11 1.28 97.27 1.19 0.00 0.00 0.00 43 C H H 30.39 11.91 14.92 28.12 92.52 50.82 -66.59 -35.54 5.79 0.01 94.21 0.30 0.32 5.17 91.55 2.65 0.01 0.00 0.00 44 L H H 65.77 11.19 15.50 27.27 92.76 53.18 -73.74 -23.97 24.29 0.02 75.69 0.72 1.19 22.77 72.95 2.32 0.02 0.01 0.02 45 H C T 128.70 2.71 16.95 19.82 98.75 45.90 -99.89 -5.01 59.32 0.20 40.48 4.92 9.39 43.64 39.40 2.39 0.03 0.06 0.18 46 H C C 77.56 7.67 10.87 20.37 117.20 102.72 -85.58 142.26 89.77 1.05 9.18 44.77 41.85 2.52 8.86 0.89 0.00 0.19 0.93 47 S H H 80.89 2.02 14.77 17.24 93.20 -130.50 -61.50 -36.42 8.91 0.04 91.05 2.24 1.87 4.92 88.69 2.23 0.01 0.01 0.02 48 K H H 113.27 3.27 15.47 19.48 92.26 54.90 -65.78 -38.84 5.01 0.02 94.96 1.07 0.62 3.05 92.79 2.44 0.01 0.01 0.01 49 E H H 47.11 10.04 13.10 24.87 92.17 51.80 -64.57 -40.86 2.23 0.01 97.77 0.60 0.25 1.18 95.89 2.07 0.00 0.00 0.00 50 F H H 93.61 4.83 16.33 22.32 91.77 50.56 -63.90 -41.18 1.55 0.00 98.45 0.44 0.16 0.78 97.86 0.75 0.00 0.00 0.00 51 Q H H 97.54 2.06 18.35 19.63 91.62 50.37 -64.05 -41.57 1.07 0.00 98.93 0.32 0.09 0.51 98.83 0.25 0.00 0.00 0.00 52 R H H 100.81 5.86 16.58 23.53 92.03 50.08 -64.59 -41.17 0.75 0.00 99.25 0.15 0.05 0.43 99.13 0.25 0.00 0.00 0.00 53 R H H 100.72 7.43 16.08 24.50 91.70 50.91 -63.91 -40.68 0.72 0.00 99.28 0.10 0.04 0.46 99.19 0.22 0.00 0.00 0.00 54 N H H 85.57 2.41 18.35 20.28 91.77 50.22 -64.83 -40.55 0.80 0.00 99.20 0.12 0.04 0.48 99.25 0.11 0.00 0.00 0.00 55 R H H 122.07 2.61 18.06 20.46 91.78 50.60 -64.64 -41.95 0.33 0.00 99.67 0.05 0.02 0.17 99.72 0.04 0.00 0.00 0.00 56 I H H 63.62 6.83 15.59 23.65 92.16 49.35 -64.11 -42.27 0.25 0.00 99.75 0.04 0.01 0.12 99.79 0.03 0.00 0.00 0.00 57 Y H H 115.41 3.87 17.06 21.50 91.72 49.71 -63.87 -41.52 0.19 0.00 99.81 0.03 0.01 0.10 99.84 0.03 0.00 0.00 0.00 58 K H H 113.11 1.94 18.15 19.22 91.70 50.06 -64.24 -41.42 0.19 0.00 99.81 0.02 0.01 0.11 99.84 0.03 0.00 0.00 0.00 59 E H H 79.92 3.81 16.39 21.15 91.77 50.06 -64.58 -41.17 0.21 0.00 99.79 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 60 E H H 82.60 5.26 15.58 21.95 92.00 50.37 -64.17 -41.26 0.27 0.00 99.73 0.03 0.01 0.16 99.76 0.04 0.00 0.00 0.00 61 Q H H 97.34 2.37 16.84 19.07 91.64 50.09 -64.33 -40.97 0.36 0.00 99.64 0.05 0.02 0.21 99.69 0.04 0.00 0.00 0.00 62 R H H 132.68 1.95 16.71 18.24 91.86 50.45 -64.81 -40.60 0.39 0.00 99.61 0.05 0.02 0.22 99.65 0.06 0.00 0.00 0.00 63 K H H 107.92 3.77 15.47 19.80 92.11 50.14 -65.03 -40.56 0.50 0.00 99.50 0.07 0.03 0.28 99.53 0.09 0.00 0.00 0.00 64 L H H 86.03 3.10 15.25 18.96 92.16 50.17 -64.57 -41.36 0.73 0.00 99.26 0.12 0.05 0.42 99.26 0.14 0.00 0.00 0.00 65 R H H 137.62 1.64 16.25 17.24 92.14 50.15 -65.02 -40.36 1.50 0.00 98.50 0.25 0.13 0.90 98.46 0.26 0.00 0.00 0.00 66 A H H 52.73 2.82 14.27 17.98 92.09 51.12 -64.97 -40.02 3.78 0.01 96.20 0.66 0.36 2.46 95.92 0.59 0.01 0.00 0.01 67 A H H 54.52 3.34 13.13 17.79 92.80 51.70 -65.42 -39.34 8.19 0.04 91.77 1.81 1.02 5.12 90.83 1.17 0.01 0.02 0.02 68 S H H 68.46 2.33 13.15 16.04 93.23 51.68 -67.54 -37.20 17.13 0.13 82.74 5.25 2.40 9.62 80.75 1.83 0.01 0.05 0.07 69 R H H 152.22 1.94 11.80 14.33 94.74 53.00 -71.26 -31.30 25.42 0.29 74.28 9.76 4.54 11.96 70.76 2.67 0.03 0.12 0.16 70 K H H 143.34 1.99 11.37 14.26 98.05 52.97 -72.77 -18.54 33.77 0.36 65.86 11.24 5.87 17.49 61.44 3.57 0.04 0.15 0.21 71 G H H 54.97 2.12 11.55 14.54 99.60 39.40 -40.12 -9.27 49.50 0.43 50.07 18.82 7.96 23.91 44.30 4.55 0.02 0.17 0.28 72 E C C 125.84 3.08 10.13 14.82 103.94 79.91 -81.32 7.53 59.79 0.92 39.29 35.20 10.90 14.22 32.41 6.34 0.01 0.38 0.55 73 E C C 132.32 2.78 10.72 14.93 107.25 81.51 -84.08 91.25 67.96 1.75 30.29 41.22 10.52 16.15 24.00 6.31 0.01 0.78 1.01 74 T C C 94.87 3.23 9.66 14.59 110.54 60.39 -93.95 118.16 76.55 2.42 21.03 41.63 13.52 21.82 14.67 5.88 0.01 1.11 1.36 75 G C C 51.17 3.44 9.69 14.78 109.79 33.29 -15.14 74.08 86.22 2.30 11.47 44.36 20.08 22.46 5.64 5.18 0.00 1.09 1.19 76 D C C 114.88 1.97 10.10 13.36 108.30 97.56 -90.65 80.81 89.26 2.57 8.17 46.52 24.88 18.22 3.21 4.65 0.00 1.25 1.27 77 G C C 53.43 2.71 9.14 13.52 112.72 36.05 40.99 157.81 88.34 2.64 9.02 46.17 26.09 16.46 3.02 5.65 0.00 1.33 1.26 78 T C C 102.46 2.40 8.52 12.46 110.68 -97.05 -90.99 118.89 85.31 3.30 11.39 55.37 16.73 13.22 3.88 7.51 0.00 1.86 1.42 79 H C C 142.97 2.44 8.05 12.17 109.85 -161.35 -92.06 103.40 82.97 3.44 13.58 50.23 19.14 13.88 4.29 9.12 0.00 1.93 1.40 80 T C C 102.53 2.33 7.52 11.55 111.88 124.82 -96.46 117.48 83.95 3.91 12.13 54.00 17.02 13.06 3.63 8.48 0.00 2.33 1.47 81 H C C 148.14 2.05 7.12 10.90 111.01 -146.00 -96.08 111.67 91.45 2.51 6.04 82.42 2.65 7.40 2.07 2.94 0.00 1.54 0.97 82 H C C 147.02 2.30 9.23 13.21 109.33 -161.05 -93.70 105.71 99.91 0.06 0.02 99.79 0.10 0.06 0.01 0.00 0.00 0.03 0.01