# 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 110.14 6.59 12.35 20.30 113.92 -159.63 -93.98 129.40 99.64 0.31 0.04 99.50 0.18 0.08 0.02 0.01 0.00 0.16 0.05 1 A C C 78.49 4.08 9.84 15.63 111.02 -147.57 -80.74 124.92 92.69 3.28 4.03 81.22 1.75 10.41 1.45 1.83 0.00 2.05 1.29 2 G C C 56.63 2.43 9.89 13.75 106.24 25.97 -15.72 11.12 89.13 4.38 6.48 46.07 18.30 25.31 1.69 4.52 0.00 2.46 1.65 3 G C C 52.89 3.13 9.44 14.28 109.99 30.66 -79.05 131.66 86.55 4.66 8.79 47.70 22.19 17.09 2.42 6.15 0.00 2.48 1.95 4 R C C 167.32 2.66 9.09 13.39 108.62 -85.24 -87.72 110.91 83.75 6.65 9.59 58.29 15.25 10.02 4.05 5.51 0.01 3.41 3.48 5 R C C 168.15 2.45 8.96 13.16 109.01 -151.28 -88.09 113.90 84.35 3.99 11.66 54.86 12.99 16.68 4.73 6.66 0.00 2.15 1.94 6 G C C 53.84 2.90 9.95 14.52 113.10 -57.39 78.88 149.99 84.54 2.14 13.32 43.04 16.73 25.43 4.93 7.70 0.01 1.02 1.14 7 G C C 51.23 3.38 9.56 14.69 116.17 27.54 -79.93 169.68 80.18 1.85 17.97 42.04 19.87 18.75 7.72 9.64 0.01 0.79 1.17 8 R C C 173.34 2.06 9.97 13.48 110.80 -88.88 -88.80 119.78 71.37 2.19 26.44 40.71 18.47 12.64 15.33 10.56 0.02 0.93 1.34 9 A C C 76.95 3.96 8.82 14.66 112.73 -136.20 -84.88 131.72 69.09 2.36 28.56 44.03 13.66 11.41 16.88 11.60 0.01 1.17 1.24 10 K C C 143.02 3.03 9.92 14.79 111.99 -143.02 -90.33 128.84 68.37 2.81 28.82 46.94 11.63 9.60 17.41 11.56 0.01 1.46 1.39 11 R C C 155.28 3.87 9.94 15.75 112.04 -140.31 -89.84 126.89 69.09 3.32 27.59 49.38 10.53 8.75 16.29 11.63 0.01 1.77 1.64 12 R C C 137.72 5.92 11.05 18.54 113.45 -134.38 -88.75 131.17 74.36 3.49 22.14 49.07 14.71 10.43 12.78 9.50 0.01 1.88 1.62 13 K C C 133.08 4.84 14.37 20.66 110.08 -145.86 -90.40 107.33 76.72 7.73 15.55 52.02 15.96 8.60 8.75 6.96 0.02 4.56 3.13 14 V C C 63.16 9.93 14.43 25.43 121.97 -159.62 -104.12 142.69 74.66 18.90 6.43 59.63 11.01 2.14 5.14 1.65 0.01 7.42 13.00 15 C C C 23.98 14.42 13.61 29.02 114.90 -114.94 -77.27 143.14 83.86 12.60 3.54 73.47 7.85 1.41 3.07 0.80 0.00 5.47 7.92 16 Y C T 105.38 7.78 18.56 27.51 92.55 -123.01 -63.57 -31.84 59.67 1.44 38.89 4.07 11.47 44.09 28.61 9.24 0.66 0.70 1.17 17 F C T 49.01 15.37 14.54 29.95 94.71 50.50 -73.12 -34.50 62.45 1.49 36.06 3.36 9.70 48.53 24.97 10.62 0.74 0.75 1.33 18 T C T 50.08 10.93 14.05 25.61 102.49 40.15 -94.44 -38.45 57.82 5.27 36.91 7.49 10.92 37.67 22.31 13.55 1.92 2.66 3.49 19 S C T 76.96 3.73 15.10 19.95 93.71 54.69 -67.76 -27.36 62.87 4.57 32.56 5.33 9.32 45.77 19.63 13.17 1.33 2.35 3.10 20 N C T 98.42 4.36 15.31 20.70 96.11 45.22 -92.72 4.04 77.71 1.28 21.01 4.21 10.68 62.15 10.67 10.46 0.12 0.72 1.00 21 G C T 40.88 5.56 16.08 23.06 99.24 -112.40 79.70 13.93 91.80 3.73 4.48 26.24 15.51 50.75 1.31 2.78 0.00 2.26 1.15 22 I C C 35.85 16.92 10.74 27.68 112.71 149.15 -85.21 124.54 81.92 15.90 2.18 74.07 4.83 2.06 0.81 1.40 0.00 9.92 6.90 23 T C C 84.51 5.65 19.20 25.91 101.97 176.45 -102.42 -13.79 86.47 11.87 1.65 44.67 35.90 6.61 0.30 1.61 0.00 9.09 1.80 24 H C C 107.50 5.75 21.34 27.97 125.03 39.32 -127.22 134.79 73.48 24.88 1.64 46.68 21.75 6.10 0.36 1.68 0.00 18.71 4.71 25 I C C 20.28 22.59 12.34 34.44 121.28 -165.33 -116.63 130.29 74.95 24.55 0.49 71.80 2.69 0.38 0.23 0.28 0.00 17.82 6.79 26 D C C 63.54 6.46 22.38 29.29 109.78 -149.20 -99.93 113.30 92.90 6.73 0.37 91.96 1.27 0.32 0.11 0.18 0.00 4.72 1.43 27 Y C T 57.61 19.20 12.58 31.42 94.36 -164.92 -73.20 -14.26 68.93 0.66 30.41 6.45 7.12 53.21 2.16 30.36 0.00 0.41 0.29 28 K C T 143.29 2.86 18.28 21.91 92.09 68.30 -76.60 -15.75 69.89 0.58 29.54 3.67 7.99 56.40 2.06 29.20 0.00 0.33 0.33 29 D C C 62.11 7.92 15.16 24.57 105.76 73.64 -104.94 87.55 74.37 1.82 23.81 53.27 11.62 8.25 3.78 21.15 0.00 0.83 1.09 30 V H H 54.95 14.92 12.25 27.27 93.80 172.12 -65.26 -34.43 6.01 0.04 93.95 1.76 1.10 3.23 87.62 6.24 0.01 0.02 0.02 31 D H H 103.50 1.74 19.72 20.73 91.56 58.86 -64.05 -38.16 2.20 0.01 97.79 0.17 0.17 1.80 89.93 7.92 0.00 0.01 0.00 32 L H H 39.08 10.81 17.24 29.46 92.37 50.53 -65.80 -40.87 1.21 0.01 98.78 0.10 0.09 0.98 91.66 7.16 0.00 0.01 0.00 33 L H H 6.07 24.65 13.03 37.64 91.46 52.59 -64.16 -40.35 1.25 0.01 98.74 0.12 0.10 0.95 92.50 6.32 0.00 0.00 0.00 34 K H H 110.84 8.85 19.89 29.38 90.96 56.41 -63.82 -32.22 7.58 0.04 92.38 0.34 0.35 6.43 70.41 22.41 0.02 0.02 0.02 35 K H H 122.61 3.82 23.26 27.14 91.82 56.21 -71.26 -25.40 28.38 0.06 71.56 0.51 1.02 27.13 50.06 21.15 0.04 0.03 0.05 36 F H T 19.07 20.29 16.21 36.86 96.80 47.39 -95.99 -7.36 45.23 0.35 54.42 1.97 3.31 38.27 36.88 19.01 0.10 0.20 0.25 37 V E B 22.01 19.47 13.71 33.18 122.90 88.12 -99.56 142.18 5.93 93.80 0.26 3.28 0.83 0.04 0.26 0.02 0.00 9.75 85.82 38 S C C 31.77 8.84 14.92 25.59 123.29 -131.33 -80.23 172.54 94.99 4.82 0.20 95.35 0.43 0.16 0.07 0.06 0.00 2.99 0.95 39 E C T 161.74 1.59 14.57 16.95 90.65 -89.47 -63.86 -21.61 97.95 0.99 1.06 0.62 4.04 93.67 0.12 0.73 0.00 0.62 0.21 40 R C T 162.66 1.73 16.91 18.18 93.05 55.39 -88.09 1.58 98.71 0.27 1.02 0.30 3.82 94.76 0.06 0.86 0.00 0.14 0.07 41 G C S 17.50 16.16 12.83 28.85 95.58 -106.67 82.18 9.59 99.03 0.55 0.42 10.95 86.66 1.62 0.03 0.29 0.00 0.25 0.19 42 K C C 99.96 5.23 22.06 28.15 121.17 135.62 -90.64 146.49 93.43 6.46 0.12 75.63 17.80 0.32 0.05 0.06 0.00 3.44 2.70 43 I E B 28.16 21.17 14.87 35.78 113.74 -111.51 -79.07 133.52 9.91 89.97 0.12 7.00 0.66 0.03 0.12 0.01 0.00 10.37 81.80 44 L C C 35.64 14.47 17.14 32.49 114.57 -115.58 -74.59 139.02 95.48 4.37 0.16 94.30 1.57 0.13 0.09 0.04 0.00 3.29 0.58 45 P C C 52.69 8.57 19.44 28.97 113.36 -106.14 -66.59 147.01 91.81 2.43 5.76 87.14 3.24 1.79 4.07 1.34 0.00 1.31 1.11 46 R H H 117.46 12.22 13.51 26.00 92.79 -118.77 -61.76 -28.42 46.58 1.51 51.90 14.93 10.80 21.12 29.17 22.20 0.11 0.75 0.92 47 R H H 165.26 2.28 17.51 20.28 92.61 64.25 -69.92 -21.22 43.53 2.90 53.57 14.30 9.70 19.67 31.47 21.68 0.30 1.57 1.30 48 V H H 63.81 10.48 14.37 25.58 98.21 54.58 -87.98 -12.43 44.64 4.88 50.48 19.01 11.45 15.56 31.65 17.33 0.35 2.63 2.00 49 T C C 41.22 16.09 12.39 27.72 103.26 65.65 -89.12 -2.24 64.85 4.50 30.65 32.58 15.91 17.19 24.82 5.06 0.18 1.98 2.28 50 G C S 51.76 4.05 18.62 23.29 98.35 -115.94 80.56 6.58 89.47 3.10 7.43 34.50 34.95 20.85 4.27 2.58 0.02 1.48 1.35 51 T C C 39.72 15.18 10.71 25.74 122.52 116.23 -93.29 152.37 88.91 5.01 6.08 42.86 39.17 6.95 4.35 1.67 0.02 1.89 3.09 52 N C C 77.50 4.19 17.73 22.31 117.75 -102.62 -74.73 158.15 92.39 3.34 4.27 84.36 5.92 1.83 3.62 0.83 0.00 1.32 2.12 53 A H H 68.50 5.90 13.93 21.46 92.39 -110.35 -59.20 -37.62 2.68 0.02 97.31 0.82 0.54 1.13 97.12 0.38 0.00 0.00 0.00 54 K H H 134.78 1.70 18.82 19.74 91.75 53.34 -64.20 -40.47 1.02 0.00 98.97 0.18 0.10 0.64 98.71 0.37 0.00 0.00 0.00 55 Y H H 60.62 12.02 16.58 29.41 92.35 48.29 -66.58 -40.74 0.45 0.00 99.55 0.10 0.04 0.26 99.24 0.36 0.00 0.00 0.00 56 Q H H 37.29 16.84 15.54 32.20 91.67 52.55 -62.71 -42.07 0.19 0.00 99.81 0.04 0.01 0.10 99.77 0.09 0.00 0.00 0.00 57 R H H 136.30 2.98 22.68 25.43 91.62 50.28 -64.05 -41.15 0.19 0.00 99.81 0.03 0.01 0.12 99.80 0.04 0.00 0.00 0.00 58 K H H 98.75 5.79 22.80 28.78 91.68 49.47 -64.75 -41.00 0.15 0.00 99.85 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 59 L H H 10.93 21.95 17.81 39.75 92.19 49.95 -65.01 -42.31 0.13 0.00 99.87 0.02 0.01 0.08 99.88 0.02 0.00 0.00 0.00 60 T H H 41.00 12.87 21.98 34.79 91.52 50.93 -63.28 -42.31 0.12 0.00 99.88 0.01 0.01 0.08 99.89 0.01 0.00 0.00 0.00 61 A H H 51.50 2.99 25.02 27.14 91.21 49.79 -63.55 -42.26 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 62 A H H 17.68 12.81 20.99 34.92 91.55 50.05 -64.30 -42.62 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 63 I H H 13.31 21.51 18.61 39.83 91.93 49.85 -63.78 -43.07 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 64 K H H 101.39 5.98 23.57 29.96 91.38 50.67 -63.09 -41.88 0.14 0.00 99.86 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 65 R H H 114.89 3.77 23.33 26.73 91.79 49.52 -64.57 -41.68 0.19 0.00 99.81 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 66 A H H 10.44 15.42 15.68 32.54 91.75 51.01 -63.89 -41.89 0.27 0.00 99.73 0.03 0.01 0.17 99.68 0.10 0.00 0.00 0.00 67 R H H 87.33 11.70 16.56 28.59 92.14 50.95 -64.05 -40.71 0.57 0.00 99.43 0.05 0.02 0.42 99.31 0.20 0.00 0.00 0.00 68 Q H H 119.66 2.36 17.52 20.09 92.25 50.84 -65.87 -36.41 1.54 0.00 98.46 0.07 0.06 1.34 98.29 0.24 0.00 0.00 0.00 69 M H H 103.21 4.54 14.72 20.34 94.26 49.64 -80.76 -16.05 13.25 0.02 86.73 0.28 0.45 13.36 85.20 0.67 0.03 0.01 0.02 70 A C T 72.62 5.30 14.85 21.28 97.45 -93.91 63.10 2.84 70.13 0.06 29.81 0.70 1.87 66.26 30.19 0.90 0.00 0.02 0.05 71 L C T 89.06 6.60 14.76 22.57 97.59 95.67 -85.02 -14.60 84.72 0.47 14.81 7.22 12.58 63.08 14.88 1.65 0.00 0.18 0.39 72 L C C 53.37 13.39 10.34 23.94 116.06 66.38 -102.97 124.55 81.08 1.59 17.33 41.08 30.10 9.58 6.87 10.58 0.00 0.66 1.13 73 P C C 87.30 4.28 15.13 20.65 100.25 -131.36 -68.03 -10.56 80.04 1.29 18.66 41.72 17.12 20.33 5.22 14.34 0.00 0.68 0.59 74 Y C C 141.29 5.65 13.12 20.05 104.98 56.41 -89.39 24.82 69.04 9.07 21.89 40.45 12.17 16.82 6.63 15.17 0.03 5.53 3.21 75 V C C 72.59 9.81 9.32 19.94 113.63 123.13 -96.18 123.75 75.18 12.65 12.17 57.34 9.51 7.51 6.45 6.03 0.01 8.04 5.11 76 S C C 81.75 3.13 10.31 15.28 113.50 -168.16 -100.17 125.46 84.99 7.53 7.48 52.20 14.69 18.43 4.00 3.44 0.01 5.33 1.92 77 G C C 57.16 2.13 10.86 14.39 111.86 8.97 79.90 151.65 94.76 2.43 2.81 72.47 5.36 17.39 1.14 1.26 0.00 1.72 0.67 78 E C C 143.11 2.76 12.05 16.35 111.23 -84.36 -89.01 126.35 99.76 0.20 0.04 99.50 0.21 0.11 0.02 0.01 0.00 0.12 0.02