# 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 127.96 3.60 10.35 15.74 116.22 -152.24 -94.13 131.51 99.66 0.28 0.05 99.58 0.13 0.07 0.02 0.01 0.00 0.16 0.04 1 A C C 76.27 3.87 8.20 14.07 115.78 -144.31 -91.54 141.28 85.67 9.39 4.94 81.40 1.39 3.67 2.43 1.59 0.00 7.24 2.29 2 K C C 155.73 1.97 8.99 12.68 114.12 -138.84 -93.12 133.79 76.05 17.09 6.86 53.52 14.56 7.94 2.86 3.93 0.01 14.38 2.81 3 R C C 158.17 3.39 8.57 14.08 117.76 -142.75 -104.64 136.02 70.79 22.45 6.76 52.58 12.22 5.57 3.15 3.76 0.01 19.27 3.43 4 T C C 87.63 5.01 9.14 16.14 119.02 -151.03 -104.47 139.38 69.03 25.70 5.27 56.89 8.02 3.17 3.02 2.38 0.01 23.22 3.29 5 V C C 101.10 4.12 10.83 16.88 118.24 -148.57 -102.57 134.63 63.60 29.78 6.62 47.59 11.66 3.89 4.35 2.57 0.03 27.11 2.80 6 K C C 137.20 4.18 10.90 17.13 114.58 -131.93 -89.69 129.01 59.87 33.20 6.93 47.09 8.13 3.83 4.69 2.64 0.02 29.95 3.65 7 M C C 111.43 5.31 10.20 17.29 117.97 -171.28 -109.51 135.15 62.44 28.97 8.59 46.65 9.65 4.97 6.45 2.89 0.04 24.63 4.71 8 G C C 40.24 4.16 13.17 18.56 122.99 2.70 94.88 -168.08 66.37 15.46 18.17 33.60 18.99 14.62 11.43 6.35 0.23 12.12 2.67 9 V C T 102.00 3.88 12.70 17.73 97.61 -38.23 -72.52 -27.86 60.29 10.65 29.06 17.50 17.07 27.34 16.70 10.65 0.61 7.35 2.77 10 M C T 101.30 5.99 11.55 18.83 100.60 56.17 -82.15 -14.03 56.35 12.98 30.67 15.10 14.56 27.66 16.46 12.66 1.04 8.85 3.66 11 G C C 36.21 7.17 11.90 20.32 103.06 60.75 -64.06 -40.59 56.13 11.52 32.35 24.94 13.48 19.34 13.39 17.72 0.20 8.13 2.81 12 R C T 164.89 2.62 13.62 17.09 97.42 51.42 -78.08 -22.51 59.05 11.95 29.01 15.99 14.56 29.72 11.41 16.29 0.43 8.61 3.01 13 Y C T 153.53 3.52 12.25 16.94 103.01 46.32 -97.05 6.59 62.42 14.09 23.49 16.75 15.56 31.40 9.94 12.41 0.45 9.96 3.52 14 G C C 37.70 6.38 11.61 19.30 122.58 112.03 -107.40 175.19 75.58 16.83 7.59 37.75 23.76 15.23 3.04 4.32 0.05 12.23 3.63 15 A C C 69.71 5.56 10.98 18.12 116.35 -94.11 -93.22 139.12 69.00 22.56 8.44 44.94 14.71 9.15 3.95 4.79 0.05 16.88 5.52 16 R C C 155.40 3.53 10.68 16.01 114.85 -153.92 -95.75 129.59 65.49 24.45 10.06 38.07 14.92 13.53 4.37 5.77 0.09 18.02 5.22 17 Y C T 171.38 2.79 9.67 14.08 110.22 -99.80 -85.13 123.48 73.64 17.24 9.11 25.34 16.17 33.88 3.66 4.92 0.09 12.50 3.43 18 G C T 57.85 1.97 11.64 14.10 103.06 8.65 86.10 -2.99 84.31 8.61 7.08 27.99 22.25 35.45 2.38 4.09 0.02 6.07 1.74 19 S C C 61.15 5.51 8.53 15.77 115.30 118.68 -90.81 143.16 80.93 8.17 10.90 44.09 27.64 9.37 6.83 4.16 0.02 4.87 3.01 20 N C C 96.71 2.84 12.02 15.88 114.97 -121.12 -84.20 148.52 65.62 5.77 28.61 35.71 23.14 7.52 23.75 4.66 0.06 3.47 1.69 21 P H H 90.23 4.30 10.37 16.35 95.78 -112.95 -65.22 -32.65 33.91 5.56 60.53 15.07 6.87 13.26 45.77 13.42 0.17 4.41 1.02 22 R H H 147.64 3.53 10.88 15.89 96.38 59.31 -72.23 -28.70 27.85 7.11 65.04 12.63 5.29 10.83 48.80 15.29 0.17 5.94 1.06 23 K H H 124.58 3.44 12.09 16.92 97.01 54.19 -71.44 -30.75 27.49 8.81 63.71 14.57 5.70 8.61 48.60 13.74 0.13 7.42 1.23 24 R H H 142.46 3.65 12.35 17.40 99.89 53.31 -78.52 -19.26 31.44 13.45 55.11 18.14 6.57 8.71 44.62 8.46 0.17 11.60 1.73 25 A H H 59.42 6.84 9.94 18.25 103.53 55.52 -78.06 -1.51 33.22 16.65 50.13 22.00 5.84 6.41 42.83 5.99 0.09 15.07 1.76 26 K H H 134.42 3.46 12.52 17.36 102.18 54.14 -77.15 -13.58 38.38 17.02 44.60 22.97 6.48 8.71 38.21 5.97 0.10 16.24 1.34 27 K H H 141.21 2.98 12.76 17.03 104.61 4.23 -82.94 39.08 38.04 21.49 40.47 21.20 7.30 9.47 33.72 6.49 0.18 20.05 1.59 28 L H H 90.40 7.72 10.68 19.65 109.88 61.35 -88.71 113.55 35.54 28.03 36.43 24.33 5.69 4.95 31.68 5.08 0.08 26.45 1.75 29 E E E 115.45 5.19 13.32 19.95 109.96 -147.48 -87.80 119.67 31.21 35.79 32.99 22.44 3.80 3.88 29.44 4.36 0.05 33.98 2.05 30 V E E 80.57 8.28 12.46 21.74 107.01 -150.96 -89.65 27.25 32.54 34.40 33.06 21.29 5.28 5.76 28.26 5.30 0.12 31.82 2.18 31 S C C 56.61 8.00 13.01 22.18 113.18 43.32 -101.50 111.58 42.45 28.78 28.77 27.48 6.71 7.82 23.49 5.72 0.14 26.36 2.28 32 Q C C 106.20 6.87 13.34 21.40 108.02 94.87 -91.29 85.26 55.53 22.31 22.16 29.19 14.59 11.96 16.60 5.76 0.23 19.30 2.37 33 H C C 122.66 5.80 13.57 20.63 106.42 73.20 -91.86 59.76 60.51 22.32 17.17 34.07 14.69 12.25 11.86 5.36 0.11 18.82 2.83 34 A C C 46.34 9.19 13.20 23.60 119.35 140.16 -95.06 145.91 73.61 19.14 7.25 58.70 9.19 4.97 4.50 2.82 0.00 17.90 1.92 35 K C C 126.93 5.62 16.70 23.74 115.01 -127.34 -92.53 130.78 66.31 30.56 3.13 53.21 9.01 3.11 1.79 1.45 0.00 29.13 2.30 36 H E E 48.76 15.09 13.35 28.77 128.47 174.48 -125.57 147.02 34.65 63.71 1.65 26.69 7.33 1.89 0.93 0.88 0.00 59.88 2.38 37 F E E 112.52 5.63 20.07 26.59 119.91 -138.70 -108.55 133.85 9.55 90.16 0.29 8.12 0.78 0.10 0.33 0.07 0.00 53.41 37.19 38 C C C 12.00 19.58 9.98 29.92 109.75 -118.61 -73.47 125.10 89.29 10.65 0.06 89.42 0.66 0.11 0.02 0.02 0.00 8.58 1.19 39 S C T 73.34 3.72 17.84 22.63 92.79 -149.06 -70.43 -23.03 99.52 0.22 0.26 0.86 6.86 91.85 0.01 0.22 0.00 0.14 0.05 40 F C T 108.16 7.26 15.34 23.56 100.21 45.20 -83.65 -40.96 99.61 0.13 0.27 0.16 3.61 95.94 0.00 0.20 0.00 0.06 0.03 41 C C T 60.52 6.49 13.76 21.86 103.01 19.01 -108.68 -14.66 99.64 0.12 0.24 0.39 3.98 95.35 0.01 0.19 0.00 0.06 0.02 42 G C C 47.31 3.96 14.55 19.97 95.89 -121.62 79.39 6.55 99.03 0.79 0.19 76.86 15.10 7.04 0.05 0.15 0.00 0.46 0.35 43 K C C 99.75 5.39 15.36 22.38 120.42 133.64 -84.23 147.74 89.96 9.96 0.09 76.15 14.03 0.36 0.03 0.07 0.00 7.34 2.03 44 F E E 108.37 9.30 16.85 26.92 113.62 -114.14 -82.76 132.48 8.46 91.45 0.09 7.27 0.75 0.07 0.08 0.03 0.00 58.62 33.18 45 A E E 22.27 13.89 17.74 32.32 130.89 171.84 -130.74 161.52 38.68 61.25 0.07 35.40 2.22 0.15 0.02 0.04 0.00 61.64 0.54 46 F E E 39.20 18.56 16.59 34.98 127.11 -126.89 -121.82 140.64 19.22 80.69 0.10 17.59 1.34 0.17 0.03 0.06 0.00 79.04 1.76 47 R E E 112.15 7.74 22.10 30.56 122.58 -162.49 -120.07 135.17 8.87 91.08 0.05 8.14 0.64 0.07 0.01 0.02 0.00 90.44 0.66 48 R E E 85.01 15.65 13.54 28.92 110.41 -121.54 -79.21 123.17 12.27 87.65 0.08 11.40 0.68 0.12 0.02 0.05 0.00 86.54 1.20 49 K E E 118.89 4.76 19.03 24.85 101.24 176.02 -101.49 -21.47 39.97 59.82 0.20 28.46 10.30 0.94 0.04 0.16 0.00 59.54 0.56 50 A E E 41.82 5.61 20.33 26.71 140.76 -3.04 -155.33 164.61 43.34 56.13 0.53 9.75 26.94 8.62 0.06 0.52 0.00 52.27 1.83 51 V C T 73.82 10.04 19.10 29.46 109.41 -66.80 -64.06 132.58 97.75 1.80 0.45 2.92 22.63 72.33 0.03 0.46 0.00 1.37 0.25 52 G C T 12.14 16.21 18.99 35.15 97.57 14.85 88.43 -3.81 97.07 2.70 0.23 3.16 22.14 71.67 0.01 0.27 0.00 2.63 0.12 53 I E E 33.02 12.45 20.94 34.91 120.98 106.85 -111.30 130.89 8.72 91.28 0.00 7.71 0.57 0.02 0.00 0.00 0.00 91.45 0.24 54 W E E 21.86 19.55 18.18 38.11 128.58 -172.90 -124.29 145.28 0.43 99.57 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.56 0.02 55 R E E 90.91 9.06 23.89 33.39 122.43 -152.99 -118.22 134.74 0.34 99.66 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.58 0.07 56 C E E 8.68 19.85 12.14 33.00 110.20 -123.83 -79.88 124.33 16.79 83.19 0.01 16.41 0.42 0.03 0.00 0.01 0.00 82.52 0.62 57 D C T 88.91 5.07 19.32 25.31 95.45 -151.31 -70.63 -28.94 98.29 0.41 1.30 0.64 5.07 92.65 0.03 1.25 0.00 0.28 0.08 58 G C T 45.29 4.52 16.81 22.29 96.82 45.46 -74.05 -37.49 98.39 0.11 1.49 0.16 3.06 95.35 0.02 1.31 0.00 0.06 0.03 59 C C T 54.24 8.27 13.49 23.16 102.81 20.62 -106.55 -8.58 98.84 0.13 1.03 0.48 3.84 94.53 0.03 1.02 0.00 0.07 0.03 60 S C C 83.98 3.51 15.51 20.54 94.38 -125.95 66.70 19.95 98.47 1.21 0.32 65.72 7.81 24.96 0.07 0.24 0.00 0.98 0.21 61 K C C 99.25 5.80 15.37 22.97 120.07 137.41 -81.41 148.40 76.94 23.03 0.03 74.57 1.89 0.10 0.01 0.02 0.00 22.77 0.65 62 T E E 81.00 8.06 16.93 26.39 119.03 -126.83 -100.50 136.61 1.07 98.93 0.00 1.08 0.03 0.00 0.00 0.00 0.00 97.86 1.01 63 V E E 36.41 16.44 14.36 30.88 125.30 -170.16 -124.03 140.66 1.55 98.44 0.00 1.52 0.05 0.00 0.00 0.00 0.00 98.24 0.18 64 A E E 62.76 7.25 20.04 27.89 118.32 -136.59 -97.17 142.95 28.60 71.26 0.14 21.97 5.36 0.91 0.02 0.13 0.00 71.21 0.40 65 G C C 28.83 9.05 19.49 29.30 131.29 53.88 135.36 -176.90 63.80 35.47 0.73 35.31 23.90 5.73 0.10 0.76 0.00 32.82 1.39 66 G C C 27.89 11.13 19.42 30.39 127.52 -99.33 -88.20 171.65 75.52 21.26 3.21 42.52 23.01 11.26 0.52 3.07 0.01 16.46 3.14 67 A C S 43.90 15.16 16.96 31.34 97.78 -68.43 -72.69 -19.10 81.55 12.01 6.44 19.70 35.40 27.47 0.88 5.39 0.02 8.49 2.64 68 Y C S 116.59 10.64 19.41 29.59 100.78 38.37 -92.43 -4.63 75.94 16.71 7.34 21.63 32.39 23.41 1.54 5.36 0.09 10.74 4.84 69 T C C 60.78 8.57 20.79 29.82 117.12 73.13 -110.82 118.86 76.99 17.07 5.94 49.13 17.87 9.80 1.76 4.39 0.02 10.43 6.60 70 L C T 55.19 17.55 14.17 30.63 101.55 -154.50 -79.94 -3.42 89.28 6.70 4.02 32.40 18.46 39.27 1.14 2.60 0.01 4.07 2.05 71 S C T 70.02 6.27 18.01 25.00 100.52 68.57 -95.28 19.97 93.63 2.66 3.71 33.14 24.01 36.97 0.89 2.62 0.00 1.39 1.00 72 T C S 44.78 9.17 13.08 23.95 122.18 128.62 -97.06 153.46 94.89 1.77 3.34 40.60 52.70 1.40 3.04 0.46 0.00 0.41 1.38 73 P H H 102.55 2.10 17.04 19.34 91.43 -113.82 -58.54 -36.51 22.45 0.24 77.31 3.72 4.01 15.43 72.62 3.87 0.10 0.11 0.14 74 N H H 82.39 6.61 17.05 24.52 92.09 54.58 -66.13 -35.70 20.06 0.24 79.71 3.57 2.40 14.33 75.42 3.95 0.08 0.12 0.11 75 N H H 24.65 17.07 13.37 30.50 92.48 53.07 -66.81 -38.20 8.20 0.22 91.58 4.00 1.35 3.49 87.62 3.33 0.01 0.13 0.07 76 T H H 66.34 5.75 19.38 25.75 92.04 53.66 -64.38 -40.78 3.17 0.10 96.73 1.68 0.48 1.19 95.81 0.77 0.00 0.05 0.02 77 T H H 73.55 3.13 21.74 24.15 92.25 50.12 -65.36 -41.93 2.14 0.11 97.76 0.99 0.28 0.92 97.28 0.45 0.00 0.06 0.01 78 V H H 31.01 14.24 17.95 32.63 92.08 49.78 -64.94 -42.58 1.31 0.05 98.64 0.50 0.16 0.61 98.46 0.25 0.00 0.02 0.01 79 R H H 89.15 12.04 19.11 31.03 91.77 51.37 -63.26 -41.53 0.76 0.01 99.22 0.28 0.07 0.32 99.21 0.10 0.00 0.01 0.00 80 S H H 53.83 3.10 21.65 24.17 91.48 50.30 -63.97 -41.71 0.80 0.01 99.19 0.26 0.06 0.36 99.24 0.07 0.00 0.00 0.00 81 T H H 51.50 6.57 19.95 27.28 91.78 49.99 -64.79 -41.97 0.47 0.00 99.53 0.12 0.04 0.23 99.58 0.04 0.00 0.00 0.00 82 V H H 28.84 14.15 16.77 31.68 91.98 50.26 -64.33 -42.28 0.23 0.00 99.77 0.04 0.02 0.12 99.80 0.03 0.00 0.00 0.00 83 R H H 116.79 4.41 20.16 24.89 91.46 50.61 -63.66 -41.57 0.18 0.00 99.82 0.03 0.01 0.10 99.84 0.02 0.00 0.00 0.00 84 R H H 127.83 2.47 20.03 21.86 91.65 50.17 -64.55 -41.59 0.24 0.00 99.76 0.03 0.01 0.15 99.78 0.03 0.00 0.00 0.00 85 L H H 53.78 8.34 16.48 26.19 91.89 50.11 -64.60 -41.49 0.26 0.00 99.74 0.03 0.02 0.16 99.75 0.04 0.00 0.00 0.00 86 R H H 102.59 6.41 16.26 23.77 91.97 51.00 -64.38 -41.27 0.48 0.00 99.52 0.07 0.03 0.29 99.55 0.07 0.00 0.00 0.00 87 E H H 104.54 1.99 16.44 18.04 91.68 50.10 -64.41 -40.84 1.12 0.00 98.88 0.16 0.07 0.74 98.89 0.14 0.00 0.00 0.00 88 L H H 85.68 3.03 13.81 17.81 92.33 50.34 -65.76 -39.74 2.73 0.01 97.25 0.44 0.22 1.82 97.20 0.32 0.00 0.01 0.00 89 K H H 115.91 4.02 11.96 17.36 92.91 50.32 -67.25 -37.44 8.40 0.05 91.55 1.41 0.82 5.60 91.56 0.55 0.01 0.02 0.02 90 Q H H 128.56 1.64 11.05 13.44 93.66 51.63 -71.50 -27.01 26.32 0.22 73.45 5.42 3.14 17.05 73.20 0.95 0.03 0.08 0.13 91 S C H 85.38 1.42 9.45 11.67 97.73 57.85 -79.66 -12.56 55.27 0.40 44.33 26.45 2.13 24.12 45.91 1.01 0.00 0.14 0.23 92 N C C 119.73 2.38 11.06 14.77 102.97 72.94 -81.26 33.81 99.82 0.06 0.13 99.14 0.28 0.42 0.10 0.01 0.00 0.03 0.01