# 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 119.25 4.89 12.38 18.88 113.42 -157.27 -92.36 129.22 99.95 0.04 0.01 99.91 0.04 0.02 0.00 0.00 0.00 0.02 0.00 1 A C C 72.18 5.34 10.32 17.40 112.98 -145.75 -88.02 138.20 93.01 3.41 3.58 87.83 1.32 4.83 0.86 1.84 0.00 2.44 0.88 2 E C C 130.93 3.59 11.96 17.31 115.43 -145.57 -96.80 134.64 85.42 9.04 5.54 54.94 17.77 12.51 0.84 5.19 0.00 7.36 1.38 3 S C C 58.28 9.10 11.81 21.86 121.11 -146.61 -103.14 144.19 78.18 17.23 4.59 54.44 13.84 9.12 0.57 4.47 0.00 16.40 1.17 4 H C C 86.80 10.70 15.40 26.76 122.50 -162.42 -118.12 138.06 58.19 39.57 2.25 45.83 9.15 3.17 0.50 1.86 0.00 37.57 1.92 5 R E E 104.81 11.10 18.12 29.44 120.79 -146.02 -107.73 135.19 43.23 56.16 0.61 37.41 4.26 1.01 0.17 0.45 0.00 55.26 1.44 6 L E E 30.63 18.36 17.14 35.15 118.22 -155.01 -102.51 132.51 33.21 66.46 0.33 26.39 5.62 0.83 0.08 0.24 0.00 66.30 0.55 7 Y E E 83.40 12.88 22.09 34.63 128.26 -169.77 -125.87 140.53 19.74 80.05 0.21 15.68 3.20 0.50 0.04 0.15 0.00 80.07 0.35 8 V E E 14.29 21.38 17.82 39.19 129.46 -171.74 -131.43 142.73 12.73 87.22 0.06 11.44 0.91 0.09 0.01 0.04 0.00 87.19 0.31 9 K E E 92.85 8.92 25.28 34.53 120.72 -148.30 -103.35 136.27 9.22 90.75 0.03 8.00 0.74 0.08 0.01 0.02 0.00 90.96 0.20 10 G E E 6.21 20.24 17.82 38.08 142.79 153.66 -155.65 171.63 4.18 95.81 0.01 3.41 0.45 0.03 0.00 0.00 0.00 96.06 0.04 11 K E E 86.64 7.66 25.40 33.98 124.32 -90.38 -117.87 139.32 0.65 99.35 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.38 0.01 12 H E E 37.96 20.55 15.87 36.16 109.52 -119.06 -77.19 124.04 0.53 99.47 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.45 0.03 13 L E E 61.00 9.24 21.41 31.58 101.03 175.90 -97.78 -31.31 5.22 94.75 0.03 3.68 1.11 0.13 0.00 0.02 0.00 94.99 0.05 14 S E E 32.30 7.86 23.62 32.58 143.62 -14.75 -165.44 161.57 11.66 88.30 0.05 7.44 3.52 0.33 0.01 0.03 0.00 88.57 0.10 15 Y E E 62.98 19.63 14.51 33.10 132.64 -155.60 -140.67 145.39 17.01 82.78 0.21 15.54 1.21 0.19 0.08 0.10 0.00 81.85 1.03 16 Q E E 74.36 8.08 19.54 28.66 123.28 -157.86 -123.80 135.47 39.51 60.22 0.27 35.02 3.54 0.53 0.10 0.18 0.00 58.24 2.39 17 R C C 117.96 9.50 14.11 24.64 117.97 -148.76 -99.86 135.52 57.58 42.06 0.36 45.93 10.21 1.45 0.10 0.33 0.00 38.64 3.33 18 S C C 38.33 8.03 11.38 21.26 126.23 -163.17 -116.03 160.31 76.92 22.65 0.43 65.82 8.62 1.76 0.14 0.37 0.00 19.03 4.26 19 K C T 164.33 1.63 11.65 14.16 94.93 -101.68 -66.18 -29.29 96.90 1.44 1.67 5.67 44.62 46.89 0.14 1.40 0.00 0.89 0.39 20 R C T 187.66 0.86 12.41 12.67 101.18 31.44 -90.36 -23.62 97.82 0.63 1.56 4.14 44.07 49.81 0.13 1.29 0.00 0.35 0.22 21 V C S 82.18 5.24 10.51 17.44 122.35 28.45 -125.17 130.02 85.18 12.81 2.01 15.80 39.48 30.55 0.25 1.85 0.01 9.64 2.42 22 N C C 104.16 4.99 12.43 19.01 108.78 -146.77 -88.41 114.78 66.93 32.33 0.73 39.47 22.33 6.20 0.21 0.69 0.00 24.35 6.75 23 N C C 63.73 8.80 13.58 23.85 111.10 94.60 -111.99 102.99 73.42 26.41 0.17 59.42 12.92 0.86 0.04 0.18 0.00 23.37 3.19 24 P C T 69.18 8.85 15.53 25.75 99.18 -166.44 -68.08 -11.73 77.47 22.00 0.53 9.98 15.78 51.87 0.03 0.59 0.00 21.17 0.60 25 N C T 78.07 9.56 18.90 28.76 97.30 53.09 -91.92 18.18 74.64 24.97 0.39 10.17 15.97 47.06 0.01 0.45 0.00 26.08 0.26 26 V E E 29.38 14.73 19.15 34.74 124.25 107.22 -113.80 140.03 29.14 70.83 0.02 26.01 2.04 0.10 0.00 0.03 0.00 71.44 0.38 27 S E E 8.89 19.65 20.68 40.32 131.89 -173.50 -129.33 149.83 3.02 96.98 0.00 2.74 0.09 0.00 0.00 0.00 0.00 97.11 0.06 28 L E E 24.53 16.50 25.00 41.39 118.50 -140.61 -106.44 129.36 0.54 99.46 0.00 0.43 0.03 0.00 0.00 0.00 0.00 99.54 0.01 29 I E E 5.69 24.32 21.22 45.64 120.20 -165.08 -114.31 128.12 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 30 K E E 68.60 11.68 26.89 38.61 117.07 -159.64 -107.61 125.30 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 31 I E E 6.20 24.90 16.61 42.15 116.59 -162.66 -108.29 124.57 1.56 98.44 0.00 1.53 0.03 0.00 0.00 0.00 0.00 98.41 0.04 32 E E E 102.57 6.00 23.82 30.41 119.30 -148.82 -92.23 140.89 16.38 83.52 0.09 5.94 4.61 4.51 0.00 0.10 0.00 84.60 0.23 33 G C E 37.25 5.57 22.98 29.54 96.54 21.48 80.36 2.77 63.98 35.94 0.08 12.97 31.83 17.52 0.00 0.12 0.00 37.27 0.28 34 V C C 9.71 23.36 11.08 34.39 111.53 145.89 -85.85 122.80 61.13 38.80 0.06 60.89 0.99 0.10 0.03 0.04 0.00 33.54 4.42 35 A C C 66.10 5.72 21.69 28.13 101.95 166.90 -107.64 -12.95 98.11 1.87 0.03 78.79 19.32 0.21 0.01 0.02 0.00 1.31 0.34 36 T C S 62.50 3.94 22.93 26.69 133.08 36.93 -134.21 158.43 99.20 0.36 0.44 17.34 81.70 0.22 0.45 0.02 0.00 0.06 0.21 37 P H H 62.71 14.18 13.36 27.57 91.47 -113.56 -59.76 -36.71 1.63 0.00 98.37 0.11 0.14 1.23 96.48 2.04 0.00 0.00 0.00 38 Q H H 128.93 1.50 21.48 21.85 91.30 53.85 -63.25 -40.03 0.84 0.00 99.16 0.06 0.04 0.64 97.00 2.25 0.00 0.00 0.00 39 D H H 42.95 10.76 18.72 30.42 92.12 48.99 -66.29 -38.87 0.42 0.00 99.57 0.05 0.03 0.28 97.08 2.56 0.00 0.00 0.00 40 A H H 2.39 25.70 13.19 39.26 91.17 52.64 -64.12 -40.23 0.43 0.00 99.57 0.04 0.02 0.29 98.11 1.54 0.00 0.00 0.00 41 Q H H 98.92 8.19 22.50 31.27 91.17 55.67 -63.43 -34.75 1.93 0.00 98.07 0.06 0.05 1.82 89.93 8.14 0.00 0.00 0.00 42 F H H 100.02 6.78 24.08 31.36 91.40 56.55 -67.36 -28.60 6.63 0.00 93.36 0.07 0.09 7.39 84.22 8.22 0.00 0.00 0.00 43 Y H H 8.12 23.94 17.77 42.09 95.35 48.22 -89.38 -12.29 19.91 0.02 80.07 0.33 0.46 20.73 70.73 7.71 0.02 0.01 0.01 44 L C T 39.50 18.60 17.49 36.11 111.32 111.82 -62.86 131.31 86.87 0.60 12.53 0.71 1.33 84.94 11.37 0.99 0.01 0.21 0.44 45 G C T 36.05 6.83 23.17 31.22 95.43 21.78 87.44 -5.38 97.53 0.36 2.11 0.81 1.93 94.97 1.57 0.43 0.00 0.24 0.06 46 K C C 58.92 15.33 20.07 35.17 119.65 125.20 -79.40 147.56 95.53 4.46 0.01 89.80 5.20 0.10 0.00 0.01 0.00 4.79 0.09 47 R E E 86.65 13.33 24.55 37.38 119.25 -124.68 -94.41 137.20 3.59 96.40 0.00 3.64 0.09 0.00 0.00 0.00 0.00 95.88 0.39 48 I E E 4.85 24.39 20.61 45.04 133.50 -174.51 -133.76 152.29 0.27 99.73 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 49 A E E 7.41 20.15 25.22 45.09 122.21 -139.67 -110.07 136.92 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 50 Y E E 13.82 21.86 23.90 45.03 127.05 -170.02 -121.44 140.55 0.10 99.90 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 51 V E E 17.15 18.45 22.79 41.24 117.75 -150.71 -108.42 127.20 0.52 99.47 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.01 52 Y E E 36.32 15.71 20.13 36.28 130.92 -174.64 -127.59 148.38 1.78 98.20 0.02 1.51 0.10 0.02 0.01 0.00 0.00 98.32 0.03 53 R E E 113.69 8.67 19.50 28.78 115.76 -119.89 -90.00 131.93 9.44 90.42 0.14 8.58 0.66 0.12 0.06 0.06 0.00 90.11 0.41 54 A C C 22.34 15.13 9.87 25.30 118.99 -139.47 -91.18 148.23 54.89 44.30 0.81 50.77 2.35 0.49 0.27 0.41 0.00 44.83 0.88 55 S C S 91.98 1.52 14.95 16.54 96.36 -140.76 -77.06 -20.65 75.47 20.43 4.09 24.87 41.80 9.19 1.22 2.28 0.01 19.56 1.08 56 K C S 137.36 1.81 13.52 15.79 125.98 35.31 -125.19 150.48 71.63 20.95 7.42 19.83 41.69 12.05 2.50 3.89 0.09 17.68 2.27 57 E C C 129.46 4.42 10.21 16.65 113.04 -106.06 -80.71 130.18 70.15 21.67 8.17 54.66 10.68 5.01 3.56 4.31 0.02 19.39 2.38 58 V C C 81.14 5.80 8.54 16.18 117.36 -173.05 -111.77 125.84 61.77 29.39 8.83 42.73 11.73 7.96 4.43 4.51 0.16 18.92 9.56 59 R C T 190.83 1.11 10.91 12.48 103.25 -20.80 -39.11 90.24 84.17 6.43 9.40 16.70 19.53 48.65 2.77 6.02 0.04 4.48 1.82 60 G C T 60.02 1.10 12.49 13.44 103.23 -10.39 83.01 -10.65 91.40 2.27 6.32 12.26 23.19 56.11 1.00 5.22 0.00 1.65 0.57 61 S C C 61.87 6.06 10.92 18.56 117.69 86.03 -101.50 141.18 69.80 26.08 4.13 41.55 15.25 13.52 0.81 3.35 0.01 23.23 2.29 62 K C E 102.80 7.76 13.89 22.91 117.43 -152.75 -98.83 131.07 54.44 44.89 0.67 38.46 12.57 3.30 0.14 0.58 0.00 43.56 1.39 63 I E E 57.50 12.86 14.76 28.44 120.51 -159.87 -110.68 134.00 23.62 76.30 0.08 20.59 2.17 0.20 0.02 0.05 0.00 76.46 0.50 64 R E E 78.09 12.49 18.85 31.77 119.52 -158.77 -106.94 132.44 6.14 93.84 0.02 5.64 0.28 0.03 0.00 0.01 0.00 93.88 0.16 65 V E E 36.86 15.12 19.74 35.17 121.01 -162.26 -113.69 130.67 2.90 97.10 0.00 2.59 0.12 0.00 0.00 0.00 0.00 97.25 0.04 66 M E E 18.06 19.17 20.15 39.59 121.49 -164.43 -112.67 132.93 1.27 98.73 0.00 1.16 0.04 0.00 0.00 0.00 0.00 98.77 0.03 67 W E E 75.03 13.59 23.67 37.07 124.73 -163.88 -114.27 139.67 1.91 98.09 0.00 1.59 0.12 0.01 0.00 0.00 0.00 98.24 0.04 68 G E E 8.47 15.83 21.47 37.52 143.62 138.21 -160.23 -174.18 2.73 97.26 0.00 1.95 0.48 0.02 0.00 0.00 0.00 97.52 0.03 69 K E E 93.24 7.32 25.61 33.81 122.68 -75.60 -104.44 142.48 2.02 97.98 0.00 1.77 0.11 0.00 0.00 0.00 0.00 98.03 0.09 70 V E E 14.12 23.49 13.52 37.51 110.13 -114.71 -74.31 126.77 5.71 94.28 0.01 5.68 0.12 0.01 0.00 0.00 0.00 93.76 0.42 71 T E E 65.77 6.46 21.83 29.13 101.17 175.74 -99.03 -26.22 25.15 74.83 0.02 16.60 8.11 0.22 0.00 0.01 0.00 74.81 0.23 72 R E E 121.26 3.46 23.04 26.97 135.27 3.23 -147.00 152.53 22.86 77.12 0.02 11.86 10.96 0.29 0.00 0.02 0.00 76.59 0.28 73 T E E 64.84 14.18 14.97 28.85 115.41 -106.60 -75.32 139.19 29.44 70.46 0.10 27.98 0.99 0.12 0.03 0.07 0.00 68.86 1.95 74 H E E 68.90 12.08 14.24 26.99 109.05 -151.62 -93.57 109.70 44.19 55.27 0.54 38.18 3.61 0.90 0.23 0.39 0.00 45.40 11.30 75 G C T 42.89 5.37 16.80 23.22 114.37 -123.48 74.46 -152.40 90.05 4.13 5.82 6.76 22.06 60.34 0.22 6.77 0.00 3.16 0.70 76 N C T 124.65 3.59 15.10 18.94 96.06 -32.80 -72.89 -11.93 91.91 1.01 7.08 2.10 14.58 74.38 0.24 7.74 0.00 0.63 0.34 77 S C T 57.69 6.81 17.22 24.85 96.36 52.11 -92.55 -3.10 92.90 0.67 6.43 2.25 11.25 78.31 0.23 7.30 0.00 0.41 0.26 78 G C T 18.53 13.47 16.15 30.61 96.56 -112.70 81.81 8.97 96.03 2.52 1.46 22.57 21.68 51.88 0.14 1.43 0.00 1.96 0.35 79 V E E 33.07 12.41 20.25 33.97 118.91 136.73 -86.14 140.27 38.34 61.63 0.04 34.76 3.11 0.16 0.01 0.03 0.00 60.35 1.58 80 V E E 11.00 22.19 18.50 41.09 118.36 -144.83 -100.25 132.43 3.47 96.52 0.00 3.33 0.12 0.01 0.00 0.00 0.00 95.88 0.66 81 R E E 82.98 11.47 26.34 37.84 121.59 -159.18 -109.78 133.30 3.01 96.99 0.00 2.81 0.08 0.00 0.00 0.00 0.00 97.06 0.05 82 A E E 5.22 24.48 16.70 41.49 128.86 -170.19 -123.91 145.51 2.48 97.52 0.00 2.41 0.03 0.00 0.00 0.00 0.00 97.53 0.02 83 T E E 56.34 8.25 26.16 35.00 123.35 -158.57 -119.62 133.55 0.90 99.10 0.00 0.89 0.02 0.00 0.00 0.00 0.00 99.02 0.07 84 F E E 23.72 22.14 12.58 34.27 117.30 -140.83 -91.69 134.26 7.04 92.96 0.01 7.32 0.11 0.01 0.00 0.00 0.00 91.67 0.89 85 R C S 143.82 3.85 20.26 24.57 98.32 -166.80 -89.34 -23.17 83.41 16.43 0.16 35.02 45.58 1.98 0.01 0.18 0.00 16.81 0.42 86 N C S 84.48 3.24 20.81 24.07 135.18 11.52 -143.47 160.39 94.91 4.94 0.14 4.79 83.50 6.63 0.01 0.14 0.00 4.62 0.31 87 N C C 99.30 7.96 19.23 28.03 109.26 -78.96 -71.31 127.70 97.01 2.76 0.23 76.93 15.02 4.93 0.02 0.34 0.00 2.16 0.58 88 L C C 17.03 21.93 12.68 34.44 117.20 -146.34 -98.75 135.18 96.30 3.63 0.07 91.88 4.28 0.07 0.04 0.03 0.00 1.00 2.71 89 P C C 50.78 6.16 23.34 30.15 112.96 -110.13 -65.80 144.90 99.22 0.62 0.16 98.96 0.39 0.08 0.06 0.04 0.00 0.21 0.26 90 A H G 35.26 18.29 13.48 31.11 92.03 -116.82 -58.68 -33.95 21.43 0.14 78.43 3.20 2.52 14.55 12.96 66.64 0.00 0.08 0.05 91 K H G 145.16 3.03 19.43 23.48 90.80 61.85 -66.59 -22.41 13.90 0.12 85.98 1.44 1.34 10.31 14.41 72.40 0.00 0.08 0.03 92 T H G 52.78 12.33 17.32 29.79 93.95 61.22 -76.39 -19.68 12.43 0.15 87.41 1.80 1.59 8.41 13.27 74.79 0.00 0.10 0.04 93 F H G 38.94 20.41 15.11 34.32 98.40 47.96 -91.23 1.43 46.31 0.88 52.81 2.69 5.50 36.87 12.18 41.52 0.09 0.46 0.68 94 G C T 43.26 5.48 22.77 28.73 97.63 -104.50 83.68 11.46 96.57 0.85 2.59 11.19 6.95 78.60 0.87 1.55 0.00 0.62 0.23 95 A C C 19.16 19.15 14.10 32.98 118.37 146.88 -79.19 148.34 92.05 7.70 0.26 87.19 3.93 0.59 0.06 0.17 0.00 7.50 0.55 96 S E E 54.51 7.08 24.58 32.04 123.13 -137.58 -107.25 143.70 36.04 63.83 0.13 33.31 2.12 0.24 0.04 0.10 0.00 62.83 1.38 97 V E E 15.04 24.40 14.61 38.80 126.89 -164.94 -125.23 137.48 7.74 92.25 0.01 7.32 0.33 0.02 0.00 0.01 0.00 92.05 0.28 98 R E E 97.73 7.78 25.35 33.57 121.51 -159.20 -111.51 134.67 2.05 97.94 0.00 2.03 0.05 0.00 0.00 0.00 0.00 97.89 0.04 99 I E E 25.79 22.27 15.88 37.91 121.41 -159.41 -113.25 130.15 1.54 98.46 0.00 1.53 0.02 0.00 0.00 0.00 0.00 98.41 0.03 100 F E E 75.69 8.66 23.09 32.48 123.70 -170.18 -119.14 135.97 4.13 95.87 0.01 3.80 0.12 0.01 0.00 0.00 0.00 95.98 0.09 101 L E E 59.50 15.30 16.00 31.28 116.29 -139.03 -94.67 131.11 16.21 83.76 0.03 14.52 1.06 0.08 0.01 0.02 0.00 83.83 0.48 102 Y C C 88.14 10.01 14.72 26.01 120.89 -157.88 -108.60 137.44 62.75 37.15 0.10 56.68 4.45 0.27 0.02 0.09 0.00 37.88 0.60 103 P C C 79.01 6.04 13.47 20.91 109.52 -108.15 -67.74 142.95 71.95 21.11 6.94 46.38 13.59 11.54 0.59 7.28 0.00 19.58 1.03 104 S C C 73.77 5.44 9.92 16.94 105.99 -130.47 -85.50 47.64 85.36 6.11 8.53 36.84 24.66 23.43 0.63 9.00 0.00 4.49 0.95 105 N C C 124.71 2.00 10.77 13.98 103.36 68.49 -88.58 26.34 87.00 5.22 7.78 65.73 5.97 14.43 0.88 7.83 0.00 4.03 1.14 106 I C C 99.91 6.74 9.96 18.11 108.01 112.13 -89.38 91.56 99.84 0.14 0.02 99.79 0.08 0.04 0.01 0.00 0.00 0.07 0.01