# 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 101.91 7.64 11.51 20.37 116.54 -154.54 -94.77 133.97 99.76 0.22 0.02 99.56 0.24 0.05 0.01 0.00 0.00 0.09 0.05 1 D C C 90.86 4.42 11.28 17.40 113.09 -129.62 -88.20 124.17 98.35 0.58 1.07 97.11 0.78 0.70 0.69 0.18 0.00 0.25 0.28 2 P C C 85.90 6.12 9.49 17.26 104.44 -127.17 -67.65 49.14 76.34 1.47 22.19 49.83 7.05 20.07 12.07 9.42 0.00 0.88 0.67 3 K C C 139.44 3.31 11.27 15.99 104.45 60.18 -84.86 27.89 65.37 6.27 28.36 34.59 11.60 19.72 16.53 11.33 0.05 4.22 1.96 4 I C C 95.67 6.77 9.71 17.81 109.35 80.88 -93.35 106.02 55.56 12.58 31.85 34.79 11.10 10.13 19.59 12.34 0.10 9.03 2.92 5 S C C 67.51 6.09 11.74 19.22 109.54 113.33 -91.56 102.12 62.06 12.55 25.39 42.72 9.89 9.04 17.06 8.91 0.04 9.64 2.71 6 E C C 124.89 4.59 12.63 18.54 108.13 111.50 -90.02 76.55 64.49 15.09 20.42 38.84 16.15 9.98 14.00 6.59 0.12 11.15 3.17 7 M C C 97.02 8.31 11.53 21.00 114.75 109.83 -95.34 129.43 75.79 12.88 11.33 43.11 28.42 5.00 8.94 2.60 0.07 8.47 3.40 8 H C C 108.54 7.17 14.48 22.83 115.74 -136.62 -89.31 134.67 88.63 5.24 6.13 75.40 10.80 2.27 5.02 1.39 0.00 4.00 1.11 9 P C C 68.13 10.30 14.26 25.28 110.51 -114.42 -70.09 145.07 69.39 7.81 22.81 50.32 7.99 10.88 11.97 10.92 0.01 6.46 1.46 10 A C C 53.10 10.33 15.47 26.27 111.13 -135.43 -87.32 131.50 49.63 24.44 25.93 27.16 11.65 11.89 13.18 12.07 0.16 21.62 2.28 11 L E E 67.41 12.90 14.07 27.33 115.03 -145.18 -97.19 128.33 34.61 39.29 26.10 22.95 7.26 6.54 14.20 11.35 0.11 35.24 2.32 12 R E E 124.35 7.45 16.90 25.34 117.87 -159.39 -103.78 130.22 34.55 47.09 18.37 24.67 5.90 5.06 12.04 6.62 0.11 43.18 2.42 13 L E E 71.23 12.45 12.87 25.74 113.23 -146.31 -91.24 125.44 43.29 44.39 12.32 30.40 7.47 5.80 8.41 4.47 0.10 40.44 2.91 14 V C C 82.16 7.60 14.43 23.05 108.28 -161.87 -95.23 49.33 62.68 29.29 8.03 38.60 16.42 7.93 5.35 2.88 0.10 26.06 2.65 15 D C C 75.81 6.59 13.80 21.74 113.35 -6.81 -103.68 114.81 83.93 10.19 5.87 56.38 21.18 6.07 4.41 1.73 0.01 8.84 1.39 16 P C T 84.57 7.33 13.27 21.82 97.83 -143.77 -67.76 -16.75 67.43 3.36 29.20 22.25 13.07 30.56 25.97 4.65 0.03 2.82 0.64 17 Q C H 108.94 5.28 15.51 21.64 99.98 68.51 -82.28 -7.57 52.59 12.90 34.51 21.08 9.81 20.73 29.94 5.27 0.16 11.55 1.45 18 I C H 57.81 13.51 12.85 26.64 111.07 83.86 -92.21 111.59 36.98 30.58 32.44 26.43 5.11 4.15 29.47 3.79 0.04 29.12 1.89 19 Q E E 90.56 8.93 18.62 27.87 111.43 94.46 -94.60 118.75 27.19 39.91 32.90 20.53 2.60 2.40 31.37 2.64 0.01 39.01 1.43 20 L E E 55.37 13.91 17.17 31.08 111.12 133.32 -94.31 130.39 18.91 43.15 37.95 14.18 1.72 1.61 36.82 2.09 0.01 42.47 1.10 21 A H E 36.27 11.66 20.09 32.08 110.23 -159.63 -87.75 133.15 18.23 40.73 41.04 13.40 1.81 1.60 39.29 2.06 0.01 40.96 0.87 22 V H H 35.72 16.81 17.67 33.95 102.97 96.23 -80.17 -18.55 17.74 34.74 47.52 12.31 2.30 1.98 44.88 2.61 0.01 35.06 0.86 23 T H H 57.67 9.08 20.62 29.84 99.56 66.60 -72.23 -39.80 22.07 27.43 50.49 14.54 2.95 3.43 46.26 3.62 0.02 28.26 0.92 24 R H H 99.85 9.43 20.32 29.62 96.90 49.68 -71.14 -36.88 27.77 20.08 52.15 17.94 3.84 5.15 47.34 3.89 0.04 20.72 1.09 25 M H H 44.41 15.81 16.55 31.89 96.13 54.89 -70.56 -38.16 28.79 11.02 60.19 20.00 3.96 5.14 54.51 4.12 0.04 10.96 1.27 26 E H H 80.71 10.38 17.24 27.86 95.12 57.44 -68.03 -38.08 27.83 7.22 64.94 17.00 4.02 7.62 58.86 4.67 0.08 6.53 1.23 27 N H H 94.22 4.38 18.35 23.04 95.83 50.73 -73.37 -30.15 30.08 4.12 65.81 15.52 4.51 11.09 59.83 4.76 0.10 3.31 0.88 28 A H H 47.70 9.87 14.26 24.87 96.97 59.50 -73.66 -27.02 34.73 3.04 62.23 14.22 5.94 15.66 56.54 4.54 0.14 2.15 0.81 29 V C H 66.17 10.56 13.43 24.48 101.33 52.95 -86.97 -3.65 52.27 4.15 43.58 16.11 10.51 26.39 39.09 3.83 0.19 2.48 1.40 30 G C T 50.02 4.13 14.69 19.92 102.08 -112.42 72.40 12.61 79.47 3.79 16.74 31.89 15.03 32.85 13.43 3.44 0.03 2.21 1.14 31 R C C 132.16 5.94 11.71 19.19 112.18 126.54 -92.21 120.56 77.12 5.56 17.32 38.34 16.73 22.72 10.69 6.22 0.05 3.24 2.01 32 D C C 92.48 5.07 12.43 18.91 107.94 -136.89 -85.62 105.60 79.82 4.21 15.97 45.66 14.51 20.13 8.00 7.62 0.02 2.38 1.69 33 Q C C 111.83 6.17 10.97 18.56 103.71 -148.96 -86.10 9.89 70.31 5.21 24.48 36.92 14.04 20.25 9.67 14.08 0.04 2.91 2.09 34 N C C 108.86 3.72 12.57 17.67 104.23 77.79 -87.28 20.74 70.51 5.62 23.87 28.64 16.93 26.55 7.92 14.60 0.09 3.14 2.12 35 N C C 100.43 5.49 11.73 18.70 106.56 96.71 -91.19 71.47 73.12 7.89 18.99 35.81 18.37 20.18 5.92 12.29 0.05 4.68 2.69 36 V C C 91.96 5.82 12.20 19.53 110.81 152.61 -93.61 108.88 78.10 12.30 9.59 39.94 26.93 12.43 4.15 5.08 0.06 7.14 4.27 37 G C C 35.07 7.15 14.55 22.83 127.37 -123.32 111.79 172.63 89.00 9.45 1.54 47.56 38.39 3.88 0.48 1.01 0.00 6.81 1.85 38 P C C 68.72 9.93 14.15 24.88 113.88 -75.16 -71.91 147.47 87.94 9.11 2.95 64.83 14.19 8.68 0.81 2.13 0.00 8.33 1.02 39 K C E 107.41 8.88 16.65 26.25 117.15 -146.24 -99.87 133.57 53.56 42.68 3.77 34.51 12.58 7.67 1.36 2.44 0.03 38.78 2.63 40 V E E 61.22 12.97 15.54 28.86 121.22 -153.76 -110.49 132.23 31.45 66.21 2.34 25.16 5.32 1.55 1.35 1.19 0.04 60.71 4.68 41 Y E E 79.10 12.44 17.55 30.65 119.21 -161.12 -111.85 125.76 35.39 63.44 1.18 30.15 4.27 0.78 0.60 0.61 0.01 62.20 1.39 42 P E E 52.97 11.87 18.81 31.19 113.17 -119.40 -71.30 141.94 34.84 62.83 2.33 28.59 4.91 1.28 1.34 0.98 0.01 61.65 1.23 43 I E E 50.18 15.72 16.12 32.05 116.38 -152.13 -100.88 127.74 36.91 56.43 6.66 27.31 7.58 3.13 4.27 2.65 0.05 51.94 3.08 44 I E E 73.30 9.89 19.26 29.82 116.69 -159.83 -105.17 125.32 37.54 55.63 6.83 29.70 5.53 2.72 4.44 2.80 0.06 50.92 3.83 45 L C C 51.69 15.22 13.51 29.04 117.52 -155.09 -97.01 134.66 54.23 39.70 6.07 42.98 7.61 3.10 3.38 2.85 0.05 36.10 3.94 46 R C C 129.38 6.26 16.84 24.00 118.30 -143.57 -98.06 137.37 75.70 20.25 4.05 60.85 9.08 4.76 1.98 2.24 0.01 16.14 4.95 47 L C T 104.02 7.62 12.67 21.48 109.03 -99.56 -64.90 132.24 90.57 6.59 2.84 13.14 12.69 65.01 1.03 1.75 0.01 4.82 1.54 48 G C T 56.51 2.55 15.61 18.79 99.27 18.26 86.41 -1.50 96.43 2.18 1.39 11.36 17.46 67.69 0.35 1.01 0.00 1.77 0.37 49 S C C 44.78 9.35 12.42 23.22 119.25 118.83 -90.73 141.36 91.99 7.23 0.78 57.07 34.44 1.37 0.31 0.46 0.00 4.09 2.27 50 P C C 87.36 5.96 17.53 24.35 111.49 -110.69 -73.06 138.87 79.72 17.58 2.70 65.03 10.28 3.31 1.48 1.34 0.01 9.22 9.33 51 L C C 35.23 19.06 11.87 30.50 117.67 -142.40 -94.05 135.27 83.09 13.27 3.64 69.64 10.30 2.53 2.56 1.30 0.00 8.12 5.55 52 S C C 47.80 6.12 21.74 28.01 119.92 -138.15 -91.37 151.96 84.25 11.25 4.50 79.23 4.29 0.94 4.00 0.73 0.00 5.28 5.54 53 L H H 58.95 15.83 14.13 29.70 93.46 -119.16 -61.59 -35.67 7.55 0.44 92.01 3.17 1.50 3.77 86.38 4.68 0.03 0.36 0.10 54 N H H 99.72 2.73 19.83 22.48 92.47 56.96 -64.98 -37.77 5.86 0.83 93.31 2.13 1.04 3.40 86.31 6.13 0.06 0.80 0.13 55 M H H 63.36 7.22 17.80 26.37 92.14 51.78 -66.68 -39.01 4.42 1.07 94.51 1.82 0.83 2.36 86.86 6.88 0.05 1.07 0.14 56 A H H 9.85 19.47 12.48 32.08 92.01 53.78 -65.07 -40.46 6.36 1.42 92.22 2.94 1.17 3.07 86.75 4.48 0.09 1.26 0.25 57 R H H 110.94 9.36 16.83 26.71 92.92 53.09 -67.39 -33.51 18.02 1.54 80.44 6.03 2.55 10.60 74.17 4.84 0.19 1.17 0.45 58 K H H 139.46 2.21 18.27 20.17 94.46 54.12 -73.30 -29.28 31.93 0.90 67.17 5.52 3.84 22.82 62.70 4.03 0.16 0.56 0.37 59 T C H 67.18 8.24 15.52 24.58 100.91 42.60 -95.30 -7.51 50.63 1.14 48.22 12.10 6.92 31.59 44.78 3.42 0.09 0.53 0.57 60 L C C 47.51 16.01 9.83 25.03 109.60 90.69 -87.43 110.66 71.30 2.56 26.14 35.68 19.98 15.32 23.28 3.38 0.06 1.04 1.27 61 N C C 113.97 3.02 15.85 19.60 101.51 85.66 -82.10 -2.04 75.56 1.84 22.60 42.83 13.74 17.82 19.87 4.03 0.01 0.92 0.78 62 S C H 52.74 5.68 14.32 21.16 117.60 52.03 -102.41 158.26 56.08 2.38 41.54 31.67 14.05 10.84 36.08 5.24 0.05 1.12 0.96 63 L H H 89.13 7.87 14.22 23.00 94.66 -98.47 -64.72 -34.01 25.26 1.42 73.32 11.14 6.10 10.19 63.12 7.98 0.13 0.88 0.47 64 E H H 89.90 8.99 15.61 25.27 93.34 55.21 -66.81 -37.45 22.01 1.78 76.20 8.97 4.41 10.28 65.12 9.25 0.17 1.31 0.49 65 D H H 59.18 8.83 15.61 25.53 94.67 54.70 -67.42 -36.10 23.02 2.05 74.94 10.83 4.69 9.50 63.91 8.92 0.12 1.48 0.54 66 K H H 99.90 6.01 18.44 24.98 94.03 55.99 -67.24 -37.47 22.03 4.00 73.97 11.22 4.61 8.61 62.64 8.72 0.17 3.14 0.89 67 A H H 32.21 10.59 17.18 28.82 93.10 54.67 -66.26 -39.53 20.75 5.07 74.18 9.38 3.94 8.94 61.04 11.26 0.22 4.32 0.90 68 F H H 47.33 16.14 15.24 31.16 93.58 51.90 -69.86 -33.26 26.33 5.87 67.80 10.39 4.22 12.09 53.40 13.69 0.23 4.87 1.11 69 Q H H 99.03 7.86 18.24 26.71 92.98 57.75 -70.54 -25.77 43.95 3.82 52.24 9.68 5.95 27.49 43.25 9.48 0.18 3.07 0.91 70 L C T 97.15 5.97 18.53 24.92 97.96 50.04 -87.04 -13.38 56.64 4.56 38.79 11.42 10.19 34.61 32.49 6.45 0.20 3.62 1.02 71 T C S 38.12 14.53 14.38 29.25 114.68 82.90 -96.54 126.22 85.74 4.70 9.56 33.64 48.24 3.53 9.48 1.10 0.01 2.66 1.34 72 P C C 61.39 8.70 19.17 28.68 102.26 -124.06 -66.03 41.84 74.84 5.64 19.53 62.00 6.28 4.74 19.47 2.17 0.00 4.18 1.15 73 I C H 47.32 15.09 18.44 33.04 99.48 83.76 -72.72 -30.53 39.78 21.41 38.81 31.43 4.62 3.84 36.26 3.14 0.03 17.82 2.85 74 A H H 30.43 15.10 18.53 33.40 94.53 65.04 -65.01 -39.83 17.54 21.12 61.34 12.45 2.39 2.84 55.37 4.20 0.04 21.67 1.03 75 V H H 61.34 9.09 20.63 30.02 94.14 53.16 -66.64 -39.62 12.05 23.25 64.70 7.89 1.78 2.45 57.62 4.79 0.06 24.65 0.77 76 Q H H 73.54 9.78 21.13 30.99 93.65 50.94 -68.11 -37.58 12.56 23.23 64.22 7.89 1.93 2.87 56.89 5.31 0.10 24.11 0.89 77 M H H 28.85 18.60 17.20 35.34 93.55 52.53 -67.54 -38.34 17.93 17.70 64.37 11.67 2.79 3.81 57.91 4.40 0.13 18.09 1.19 78 T H H 49.35 12.03 18.92 31.02 93.03 54.30 -65.95 -37.55 22.80 15.58 61.62 14.31 3.21 5.26 56.66 3.66 0.09 15.62 1.20 79 K H H 110.97 4.64 21.08 25.82 93.14 52.54 -68.45 -34.60 25.09 13.50 61.42 13.30 3.82 7.97 56.07 4.25 0.15 13.24 1.20 80 L H H 47.36 12.90 16.61 29.90 94.41 52.92 -71.00 -33.52 26.38 10.63 62.99 14.10 4.28 8.59 57.21 4.49 0.15 9.95 1.22 81 A H H 34.42 14.52 13.91 28.28 96.13 58.94 -74.08 -22.44 36.82 8.52 54.66 19.44 5.22 11.88 51.01 3.80 0.07 7.36 1.22 82 T C H 78.30 6.15 15.23 22.33 99.74 60.84 -84.54 -15.88 49.71 7.33 42.96 20.63 8.34 20.14 40.07 3.74 0.09 5.73 1.26 83 T C H 101.10 2.85 14.74 18.30 100.70 44.87 -90.52 -5.52 60.50 8.66 30.84 25.64 14.98 20.06 27.23 3.97 0.12 6.26 1.73 84 E C C 99.05 6.91 12.52 20.92 120.57 87.23 -102.48 143.04 73.77 10.40 15.83 33.76 21.78 18.43 12.45 3.82 0.07 7.68 2.02 85 E C C 137.91 3.21 16.32 20.93 112.72 -111.41 -82.41 130.98 79.83 11.44 8.72 52.34 14.52 13.04 5.53 3.29 0.02 8.13 3.13 86 L C C 43.82 18.23 10.14 27.48 117.78 -134.16 -87.95 138.33 93.80 4.73 1.47 77.76 14.58 1.67 0.86 0.60 0.00 3.17 1.36 87 P C C 55.98 8.44 16.11 25.92 113.39 -106.51 -66.09 151.20 91.30 2.86 5.84 75.78 7.80 7.91 2.64 2.99 0.00 2.19 0.70 88 D C C 100.22 6.31 15.63 23.06 100.27 -117.92 -75.70 -7.22 75.44 8.48 16.08 30.90 27.64 18.25 6.11 9.17 0.03 6.49 1.43 89 E C C 95.04 8.36 17.02 25.96 115.01 70.92 -101.02 127.71 52.33 30.33 17.34 28.04 14.83 11.93 7.12 9.23 0.11 26.91 1.83 90 F E E 64.24 15.99 15.14 30.58 114.10 -150.86 -99.29 128.30 35.47 50.07 14.46 25.15 7.19 4.50 7.97 6.01 0.05 47.52 1.60 91 V E E 42.53 14.19 17.91 32.34 119.05 -163.44 -109.65 129.97 25.14 65.58 9.28 18.89 4.10 2.29 6.73 2.66 0.03 64.27 1.03 92 V E E 50.67 12.90 19.08 32.26 118.76 -154.96 -107.66 127.78 19.24 74.35 6.41 14.68 2.74 1.68 4.81 1.74 0.01 73.62 0.72 93 V E E 36.24 15.56 16.13 32.11 120.46 -163.52 -111.04 131.39 18.21 77.44 4.36 13.96 2.46 1.60 3.10 1.29 0.01 76.90 0.68 94 T E E 59.30 9.52 17.25 27.68 121.76 -162.97 -111.48 136.52 20.62 76.25 3.13 16.46 2.28 1.53 2.22 0.99 0.01 75.52 0.98 95 V E E 67.74 10.83 12.09 23.79 118.03 -149.51 -103.47 133.05 33.46 65.52 1.02 31.37 1.04 0.68 0.67 0.30 0.00 63.86 2.08 96 K C C 134.45 4.42 15.25 21.23 113.33 -131.19 -88.96 128.24 98.66 1.32 0.02 98.57 0.15 0.05 0.01 0.00 0.00 1.18 0.03