# 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 102.13 8.02 14.82 23.89 121.30 -169.09 -108.05 137.16 99.79 0.19 0.02 99.78 0.07 0.03 0.01 0.00 0.00 0.10 0.02 1 A C C 64.48 7.66 12.04 20.98 117.70 -158.86 -96.46 136.68 86.12 8.99 4.89 81.41 1.30 4.06 2.26 1.86 0.00 6.91 2.20 2 W C C 146.65 7.16 11.41 20.02 115.99 -155.06 -98.81 132.86 75.74 17.08 7.19 55.11 11.34 8.84 3.23 4.02 0.01 13.35 4.10 3 R C C 144.38 5.86 12.67 20.18 114.16 -156.20 -96.09 127.26 73.87 15.64 10.50 51.22 12.62 9.98 4.90 5.61 0.03 12.22 3.41 4 G C C 40.19 7.32 13.99 22.28 115.31 38.81 33.44 -171.53 76.13 9.92 13.95 43.22 18.89 14.97 6.17 7.39 0.03 7.20 2.13 5 S C C 68.73 6.28 16.56 23.77 112.30 -77.26 -93.92 120.37 74.86 9.22 15.92 47.19 15.22 12.87 7.48 8.30 0.04 6.29 2.62 6 I C C 51.47 16.91 13.59 29.59 108.35 -150.19 -89.28 84.75 63.81 9.44 26.75 36.59 14.47 13.54 11.77 14.52 0.15 5.73 3.24 7 S C C 40.96 12.81 15.56 28.36 104.54 60.50 -75.06 57.48 60.79 4.38 34.83 35.47 10.51 15.20 9.44 25.25 0.03 2.80 1.30 8 K C T 137.61 4.48 19.02 24.38 94.85 60.05 -72.22 -17.31 62.19 2.35 35.47 12.64 12.98 37.67 8.00 26.15 0.09 1.47 1.00 9 S C T 46.20 10.72 18.21 29.41 97.43 58.95 -88.92 -4.12 67.15 3.58 29.27 18.82 12.23 37.20 5.72 22.44 0.04 2.48 1.06 10 M C C 17.68 22.86 12.65 35.03 114.63 99.88 -85.73 127.20 68.17 30.65 1.18 62.57 4.02 0.84 0.46 0.68 0.00 29.53 1.90 11 K C C 99.66 7.54 23.44 31.30 102.20 176.70 -97.76 -28.10 59.90 39.90 0.19 44.06 14.59 0.59 0.04 0.14 0.00 39.92 0.65 12 E E E 58.67 11.50 24.01 35.74 132.40 7.22 -142.35 142.09 7.50 92.39 0.10 6.21 0.97 0.12 0.02 0.06 0.00 92.37 0.24 13 L E E 6.33 25.20 18.10 43.65 121.30 -159.91 -115.70 130.59 1.72 98.27 0.01 1.53 0.06 0.01 0.00 0.00 0.00 98.38 0.03 14 R E E 65.96 11.69 27.26 39.32 118.60 -161.12 -113.26 125.90 0.41 99.59 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.00 15 I E E 4.04 25.54 20.40 46.58 117.99 -164.00 -110.75 124.74 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 16 L E E 29.79 13.87 27.68 42.11 114.66 -162.60 -107.66 121.76 0.93 99.07 0.00 0.84 0.03 0.00 0.00 0.00 0.00 99.09 0.03 17 L E E 7.60 23.97 20.18 43.92 123.36 -166.50 -111.25 141.27 19.58 80.40 0.01 18.17 0.67 0.03 0.00 0.01 0.00 80.71 0.42 18 C C C 16.43 15.78 20.64 37.15 111.48 -141.36 -99.63 120.56 84.60 15.35 0.05 84.04 1.05 0.12 0.01 0.03 0.00 14.00 0.75 19 Q C T 79.99 12.56 17.96 30.77 96.70 -155.88 -77.08 -10.70 98.79 0.94 0.27 13.22 31.32 54.35 0.04 0.26 0.00 0.62 0.20 20 S C T 79.76 3.25 18.75 22.46 97.74 65.21 -91.06 -6.16 99.40 0.26 0.34 6.08 42.70 50.66 0.04 0.28 0.00 0.11 0.11 21 S C S 34.50 10.90 12.14 24.48 122.54 86.77 -106.31 143.83 99.42 0.38 0.20 41.23 57.80 0.36 0.08 0.08 0.00 0.08 0.38 22 P H G 106.35 2.27 17.45 20.27 91.91 -121.80 -60.85 -30.38 16.82 0.05 83.13 0.96 1.46 12.95 2.25 82.34 0.00 0.03 0.01 23 A H G 50.62 10.37 16.44 27.64 91.08 62.88 -69.12 -20.31 15.06 0.03 84.91 0.55 0.94 12.49 2.26 83.73 0.00 0.01 0.01 24 S H G 7.35 21.51 12.07 33.94 96.18 52.12 -96.51 1.07 13.19 0.06 86.76 2.57 1.51 7.72 4.37 83.79 0.00 0.04 0.01 25 A H H 56.45 6.98 20.13 28.58 92.13 101.60 -58.84 -41.89 4.37 0.00 95.62 0.98 0.77 2.32 94.83 1.10 0.00 0.00 0.00 26 P H H 63.05 5.66 23.32 29.36 91.39 51.00 -64.06 -39.05 2.20 0.00 97.80 0.17 0.18 1.72 97.08 0.84 0.00 0.00 0.00 27 T H H 6.64 23.47 18.23 41.53 92.11 49.45 -65.39 -41.49 0.53 0.00 99.47 0.07 0.03 0.33 99.03 0.54 0.00 0.00 0.00 28 R H H 60.95 17.18 20.69 36.73 91.53 52.99 -62.18 -42.36 0.16 0.00 99.84 0.02 0.01 0.08 99.80 0.08 0.00 0.00 0.00 29 T H H 71.99 2.68 25.52 27.01 91.44 50.33 -63.58 -42.06 0.25 0.00 99.75 0.03 0.01 0.14 99.78 0.04 0.00 0.00 0.00 30 F H H 25.36 14.32 20.45 35.68 91.70 50.55 -63.33 -43.68 0.27 0.00 99.73 0.02 0.01 0.16 99.76 0.04 0.00 0.00 0.00 31 V H H 2.95 25.96 16.05 42.38 91.43 49.00 -63.74 -43.05 0.42 0.00 99.58 0.04 0.02 0.28 99.59 0.07 0.00 0.00 0.00 32 E H H 97.13 8.73 20.39 29.44 91.87 49.67 -64.58 -39.93 1.38 0.00 98.61 0.06 0.06 1.18 98.51 0.19 0.00 0.00 0.00 33 K H H 131.35 1.97 22.23 22.92 94.68 42.53 -74.94 -35.85 10.13 0.00 89.86 0.12 0.27 10.35 88.70 0.55 0.01 0.00 0.00 34 N H H 38.22 14.41 16.82 31.44 102.33 29.95 -105.74 -18.08 32.30 0.02 67.68 0.50 0.84 30.74 67.08 0.81 0.01 0.00 0.01 35 Y H H 21.67 22.73 13.79 35.76 92.94 74.35 -62.55 -42.27 7.93 0.08 91.99 3.19 0.94 3.61 90.40 1.79 0.00 0.03 0.03 36 K H H 118.99 3.48 21.07 24.70 91.74 53.73 -63.29 -40.72 1.83 0.01 98.16 0.44 0.17 1.05 96.86 1.47 0.00 0.01 0.00 37 D H H 80.04 3.06 21.81 24.29 92.22 49.09 -65.69 -40.29 1.20 0.01 98.79 0.25 0.10 0.74 97.56 1.35 0.00 0.01 0.00 38 L H H 9.46 21.29 13.78 35.20 92.15 50.83 -65.20 -41.82 0.76 0.00 99.24 0.12 0.07 0.49 98.34 0.98 0.00 0.00 0.00 39 K H H 78.56 13.49 15.26 28.65 91.60 53.42 -64.59 -34.23 2.16 0.01 97.83 0.22 0.15 1.71 96.71 1.19 0.00 0.00 0.00 40 S H H 86.95 1.14 18.87 18.47 92.46 52.04 -68.62 -33.74 8.79 0.01 91.20 0.30 0.47 8.04 90.31 0.86 0.01 0.00 0.01 41 L H H 86.86 6.56 16.30 23.73 96.50 42.05 -80.85 -30.72 12.48 0.04 87.49 0.43 1.85 10.17 87.08 0.40 0.03 0.01 0.03 42 N C C 32.71 14.99 11.25 26.70 113.99 21.36 -134.86 83.72 99.81 0.11 0.08 89.81 9.73 0.23 0.06 0.02 0.00 0.03 0.12 43 P C T 93.05 5.08 14.44 21.87 92.69 176.80 -66.50 -19.31 99.70 0.05 0.25 1.00 3.18 95.55 0.02 0.21 0.00 0.03 0.02 44 K C T 151.85 2.02 18.89 20.85 92.63 61.40 -84.52 -7.60 99.74 0.06 0.20 0.47 4.47 94.84 0.01 0.16 0.00 0.04 0.01 45 L C S 16.07 22.08 10.45 32.04 115.36 97.19 -87.18 127.12 99.26 0.72 0.02 15.40 83.98 0.15 0.00 0.01 0.00 0.35 0.12 46 P C C 63.19 5.67 24.44 30.40 113.01 -122.53 -70.21 138.82 95.81 4.18 0.00 95.21 0.93 0.02 0.00 0.00 0.00 3.68 0.15 47 I E E 24.62 23.90 12.81 36.21 121.52 -159.40 -116.53 129.61 4.35 95.65 0.00 4.34 0.10 0.00 0.00 0.00 0.00 95.14 0.42 48 L E E 63.26 7.91 24.60 32.93 118.73 -164.26 -111.89 129.26 0.43 99.57 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.01 49 I E E 56.55 19.71 15.37 33.94 120.50 -157.47 -111.48 128.15 0.35 99.65 0.00 0.35 0.00 0.00 0.00 0.00 0.00 99.64 0.00 50 R E E 101.23 7.52 21.32 29.79 128.27 -172.36 -131.03 140.68 0.62 99.38 0.00 0.62 0.01 0.00 0.00 0.00 0.00 99.35 0.02 51 E E E 104.85 9.67 17.92 28.34 115.32 -126.66 -82.15 133.55 4.89 95.10 0.01 4.80 0.13 0.01 0.00 0.00 0.00 94.83 0.23 52 C C C 25.79 17.77 11.44 28.85 115.78 -163.65 -112.28 124.40 69.39 30.50 0.11 68.56 0.85 0.14 0.01 0.07 0.00 29.54 0.81 53 S C T 85.06 2.58 16.87 20.39 111.84 -159.72 -85.69 133.84 89.31 10.00 0.69 25.79 23.34 40.63 0.08 0.73 0.00 8.45 0.99 54 G C T 55.49 2.53 17.59 20.27 98.25 14.52 83.88 -0.23 96.63 3.02 0.36 10.77 40.47 45.48 0.02 0.45 0.00 2.48 0.34 55 V C C 45.85 14.51 13.21 28.10 118.48 126.05 -92.95 135.90 94.29 5.60 0.11 80.25 14.13 0.40 0.03 0.10 0.00 3.20 1.89 56 Q C C 89.76 7.51 23.08 30.91 117.64 -138.74 -97.78 139.02 96.75 3.23 0.02 89.35 7.59 0.13 0.00 0.02 0.00 2.52 0.38 57 P C C 13.64 22.34 15.88 38.26 114.56 -101.67 -68.08 144.66 92.89 7.10 0.01 83.65 8.59 0.17 0.00 0.02 0.00 7.33 0.23 58 Q E E 56.61 11.30 25.62 37.23 132.72 -159.94 -135.77 146.54 2.67 97.33 0.00 2.51 0.11 0.00 0.00 0.00 0.00 97.17 0.20 59 M E E 6.70 25.09 18.24 43.89 122.38 -155.46 -115.44 133.62 0.34 99.66 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.00 60 W E E 58.27 11.06 26.25 38.11 124.22 -168.41 -120.45 135.07 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 61 A E E 4.20 23.77 17.32 41.52 128.63 -172.44 -126.71 143.72 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 62 R E E 78.58 8.60 23.34 32.74 116.55 -144.62 -106.49 125.54 0.32 99.68 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.66 0.03 63 Y C C 28.39 17.67 12.69 30.55 125.70 -159.44 -96.73 166.76 60.82 39.08 0.10 60.68 0.49 0.10 0.01 0.05 0.00 38.09 0.58 64 D C T 90.73 6.68 15.34 23.02 98.74 -94.11 -64.46 -13.27 97.40 0.55 2.04 0.39 3.66 93.35 0.03 2.17 0.00 0.34 0.06 65 M C T 125.88 3.48 14.27 18.53 95.43 44.15 -84.44 4.85 97.58 0.08 2.34 0.26 2.76 94.35 0.04 2.52 0.00 0.04 0.02 66 G C S 47.46 3.66 14.25 19.00 101.09 -95.38 90.14 2.58 97.95 0.60 1.45 15.63 77.16 5.30 0.14 1.20 0.00 0.34 0.23 67 V C C 76.60 5.22 14.45 21.27 116.26 133.57 -82.31 137.18 94.61 5.36 0.03 94.72 0.74 0.05 0.01 0.01 0.00 4.01 0.46 68 E E E 100.48 11.04 13.22 25.22 122.60 -155.91 -113.81 136.38 1.56 98.44 0.00 1.47 0.05 0.00 0.00 0.00 0.00 98.33 0.14 69 R E E 88.89 10.13 17.97 29.12 128.91 -174.56 -130.77 142.34 0.26 99.74 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 70 C E E 66.47 12.59 16.94 29.99 125.75 -161.35 -121.86 138.05 0.37 99.63 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.00 71 V E E 27.50 15.78 17.38 33.98 125.03 -172.16 -128.85 132.56 0.80 99.20 0.00 0.74 0.02 0.00 0.00 0.00 0.00 99.21 0.02 72 N E E 90.30 5.87 23.16 29.65 111.74 -124.69 -80.26 128.99 5.48 94.50 0.01 5.09 0.21 0.02 0.00 0.00 0.00 94.47 0.20 73 L C C 8.03 24.01 12.35 37.07 100.91 -173.31 -103.89 8.19 85.29 13.96 0.75 82.86 1.79 0.80 0.14 0.62 0.00 12.62 1.15 74 D C T 87.62 6.78 18.21 26.75 111.76 131.54 -65.89 130.62 97.17 2.22 0.61 3.92 7.13 86.38 0.07 0.51 0.00 1.56 0.43 75 G C T 58.50 1.78 20.06 21.37 93.29 13.94 79.04 4.30 99.19 0.51 0.29 2.62 10.25 86.33 0.02 0.30 0.00 0.41 0.07 76 L C C 26.99 18.96 9.69 28.12 120.07 136.00 -84.47 144.21 97.58 2.35 0.07 87.05 10.55 0.13 0.03 0.04 0.00 0.89 1.31 77 T C C 68.99 2.75 22.86 24.30 122.19 -126.84 -83.78 161.79 98.02 1.93 0.05 97.53 0.71 0.03 0.03 0.01 0.00 0.34 1.35 78 E H H 82.09 14.89 13.62 28.26 91.52 -105.63 -57.21 -39.74 0.72 0.00 99.28 0.07 0.06 0.45 99.21 0.20 0.00 0.00 0.00 79 P H H 88.70 2.13 20.56 21.85 91.66 52.61 -63.54 -40.16 0.38 0.00 99.62 0.03 0.02 0.26 99.43 0.26 0.00 0.00 0.00 80 Q H H 76.26 6.63 20.04 27.41 91.81 48.93 -65.83 -40.10 0.12 0.00 99.88 0.01 0.00 0.07 99.72 0.19 0.00 0.00 0.00 81 I H H 4.71 24.50 14.98 39.81 91.65 50.04 -63.49 -43.92 0.06 0.00 99.94 0.01 0.00 0.03 99.93 0.03 0.00 0.00 0.00 82 L H H 48.11 13.08 20.81 34.01 91.36 50.43 -62.58 -42.19 0.11 0.00 99.89 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 83 K H H 121.03 1.91 25.68 25.85 91.55 50.04 -64.32 -41.39 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 84 A H H 14.73 14.28 20.60 35.70 91.72 49.98 -63.89 -42.62 0.12 0.00 99.88 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 85 L H H 4.84 25.27 17.95 43.25 91.57 50.25 -63.29 -42.86 0.17 0.00 99.83 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 86 E H H 86.43 7.95 22.76 31.08 91.24 50.89 -62.76 -41.73 0.40 0.00 99.60 0.05 0.02 0.24 99.62 0.07 0.00 0.00 0.00 87 N H H 84.96 3.06 23.90 26.17 91.74 49.46 -64.77 -41.15 1.51 0.00 98.48 0.17 0.09 1.06 98.47 0.21 0.00 0.00 0.00 88 L H H 16.28 18.12 17.13 35.61 92.06 50.04 -64.90 -42.06 3.59 0.03 96.38 0.56 0.33 2.45 96.18 0.46 0.01 0.01 0.01 89 V H H 34.01 16.97 16.39 32.97 92.44 49.27 -66.47 -37.77 10.58 0.15 89.27 2.29 1.34 6.93 88.44 0.84 0.03 0.06 0.07 90 K H H 146.94 1.93 19.58 21.17 93.85 50.90 -72.83 -23.90 28.37 0.29 71.34 5.02 3.84 19.38 70.20 1.26 0.04 0.11 0.16 91 S C H 61.14 6.38 14.06 21.69 98.61 64.66 -77.51 -11.01 58.79 0.72 40.49 11.41 12.79 33.82 39.16 2.12 0.05 0.26 0.39 92 G C C 46.29 5.98 15.16 22.20 103.31 -106.85 78.95 8.08 75.45 1.93 22.62 31.96 13.88 30.48 17.37 4.51 0.02 0.90 0.88 93 A C C 49.19 11.69 11.18 23.31 107.52 130.55 -80.01 111.47 74.74 4.92 20.34 44.41 16.29 14.25 13.08 7.26 0.02 2.92 1.76 94 T C C 82.37 6.56 13.03 20.98 113.82 -137.16 -93.85 126.18 73.15 10.31 16.54 46.77 14.51 11.81 10.06 6.75 0.03 7.09 2.97 95 K C C 142.15 3.76 12.44 18.12 112.13 -134.56 -91.35 127.62 82.43 7.90 9.67 73.93 2.13 6.85 6.09 2.77 0.00 5.51 2.71 96 A C C 68.93 7.62 11.59 20.43 111.23 -123.04 -79.71 132.38 99.91 0.08 0.01 99.86 0.06 0.03 0.00 0.00 0.00 0.04 0.00