# 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 46.89 16.20 16.47 32.39 122.34 -163.39 -108.34 139.46 98.58 1.41 0.01 98.24 0.41 0.05 0.00 0.00 0.00 1.23 0.06 1 L E B 75.49 8.38 15.80 25.43 125.96 -157.32 -116.00 145.15 7.23 92.70 0.07 6.44 0.23 0.01 0.08 0.01 0.00 18.91 74.32 2 N C C 47.98 9.99 10.66 22.07 123.60 -130.09 -83.07 175.74 91.74 8.15 0.11 92.37 0.59 0.14 0.03 0.05 0.00 5.34 1.48 3 D C T 127.48 1.51 11.77 14.37 91.53 -89.90 -65.73 -19.28 97.98 1.19 0.82 0.97 4.22 92.85 0.03 0.80 0.00 1.01 0.12 4 E C T 139.55 1.63 12.30 14.23 93.34 54.86 -88.60 1.21 99.06 0.17 0.77 0.31 3.24 95.63 0.02 0.68 0.00 0.09 0.03 5 G C S 42.45 5.10 12.34 19.09 97.81 -102.92 86.55 6.14 98.75 0.76 0.49 9.82 86.69 2.47 0.03 0.35 0.00 0.43 0.21 6 I C C 70.91 7.59 13.61 23.06 116.77 138.26 -90.28 136.48 92.39 7.45 0.16 81.18 10.82 0.58 0.06 0.11 0.00 4.44 2.81 7 N E B 70.92 9.91 16.48 27.50 113.88 -127.88 -86.77 127.65 13.78 85.97 0.25 10.55 1.26 0.13 0.23 0.07 0.00 27.81 59.94 8 V C C 31.58 16.88 15.28 32.32 121.06 -170.00 -113.09 136.41 69.71 30.04 0.26 64.37 3.42 0.51 0.07 0.20 0.00 29.64 1.79 9 D C C 69.19 10.08 21.79 31.99 113.38 -138.62 -92.31 122.49 69.28 30.26 0.46 57.39 9.49 1.46 0.12 0.39 0.00 28.35 2.80 10 A C C 23.99 19.37 17.27 35.90 117.04 -162.91 -100.55 132.17 59.11 40.18 0.70 44.88 12.34 2.04 0.23 0.58 0.00 35.54 4.39 11 Y E E 80.88 12.97 21.87 34.74 124.12 -160.37 -114.45 138.00 48.03 51.58 0.38 37.54 8.71 0.90 0.19 0.29 0.00 42.88 9.49 12 I C C 33.46 18.40 18.32 36.40 119.94 -158.53 -112.38 125.78 63.77 36.10 0.14 55.41 7.60 0.30 0.05 0.10 0.00 33.79 2.74 13 P C C 44.21 11.83 19.26 31.86 112.48 -112.65 -67.68 143.68 73.19 25.61 1.19 67.58 3.68 1.12 0.53 0.61 0.00 23.83 2.65 14 R C C 114.04 11.69 16.48 28.14 99.05 -130.67 -73.91 -23.49 65.16 16.64 18.20 38.84 18.44 8.89 8.59 9.30 0.19 11.40 4.34 15 K C C 122.88 4.90 18.66 24.36 103.10 66.03 -79.72 6.96 53.33 25.16 21.51 28.78 16.28 10.25 10.08 10.79 0.56 16.93 6.32 16 C C C 39.84 13.80 12.99 27.07 107.76 55.67 -90.55 106.82 51.97 26.44 21.59 34.69 9.55 7.17 10.70 11.08 0.25 16.15 10.42 17 S C C 46.78 10.20 14.04 24.99 109.43 61.18 -85.57 145.40 62.23 16.13 21.64 35.94 12.12 14.67 10.89 10.18 0.25 9.63 6.33 18 A C T 74.02 5.56 14.55 21.09 97.38 -101.31 -72.20 -18.67 77.50 3.44 19.06 11.51 20.35 46.28 8.64 9.37 0.11 2.10 1.64 19 T C T 81.73 4.95 14.68 20.60 99.99 52.40 -92.63 0.69 82.55 2.95 14.49 12.83 22.81 47.74 6.14 7.28 0.05 1.70 1.46 20 N C C 92.42 8.26 13.80 22.88 101.42 -102.05 -85.59 32.87 88.25 6.16 5.59 37.96 29.73 21.40 1.68 3.53 0.01 3.66 2.04 21 Q C C 98.39 7.35 15.86 24.22 109.16 134.52 -92.27 90.77 80.38 16.09 3.52 53.52 20.13 6.99 1.38 2.23 0.01 12.41 3.33 22 L C C 82.65 9.96 16.27 26.73 112.82 106.69 -85.24 129.92 57.36 40.04 2.60 43.43 9.95 2.73 1.39 1.48 0.02 31.84 9.15 23 I E E 38.23 17.04 13.03 29.85 118.51 -146.28 -102.45 133.36 45.44 52.73 1.83 37.36 4.90 1.07 1.39 0.80 0.01 42.91 11.55 24 T C C 68.09 6.17 19.20 25.88 121.33 -155.35 -102.46 152.00 64.15 33.63 2.22 54.59 6.25 2.04 1.26 1.11 0.00 30.67 4.07 25 A C C 53.94 11.81 12.12 24.18 102.65 -113.90 -68.14 -1.61 71.30 12.67 16.04 31.88 19.26 22.15 6.06 8.93 0.11 8.76 2.84 26 K C T 151.80 2.15 16.71 19.10 97.26 56.40 -75.40 -17.38 77.22 5.56 17.22 20.58 24.85 33.55 5.25 10.42 0.08 3.29 1.99 27 D C T 76.31 7.94 15.08 23.87 104.62 57.23 -93.77 17.14 75.92 5.27 18.81 22.15 25.11 30.49 4.54 12.58 0.06 2.89 2.17 28 H C C 83.26 12.78 15.61 28.03 103.85 -89.80 -77.24 31.44 69.66 9.70 20.64 30.98 17.84 22.97 4.12 15.17 0.06 5.87 3.00 29 A C C 42.07 11.88 17.47 29.68 104.03 115.87 -79.48 -3.19 70.78 12.52 16.70 27.58 24.37 21.20 2.48 13.00 0.05 9.26 2.05 30 S C C 42.83 11.62 20.06 31.69 110.81 65.26 -96.54 111.61 55.48 33.53 10.98 32.47 12.67 12.29 1.57 8.70 0.02 30.91 1.37 31 V E E 23.97 18.93 17.31 36.00 123.64 137.71 -114.38 135.72 22.77 76.65 0.58 19.54 2.74 0.49 0.18 0.36 0.00 75.83 0.86 32 Q E E 79.83 10.43 22.96 33.58 121.50 -154.63 -109.53 133.49 5.38 94.55 0.07 4.99 0.35 0.05 0.05 0.03 0.00 93.51 1.03 33 F E E 29.27 21.17 17.00 37.69 126.51 -170.62 -123.61 139.91 7.31 92.65 0.03 6.72 0.44 0.04 0.01 0.02 0.00 92.47 0.29 34 N E E 64.70 9.88 23.98 34.32 115.62 -144.28 -100.50 128.00 10.08 89.89 0.03 9.02 0.74 0.07 0.01 0.02 0.00 89.82 0.32 35 V E E 18.69 21.45 17.67 38.86 117.42 -168.14 -109.88 128.22 16.34 83.54 0.12 13.99 1.96 0.30 0.03 0.10 0.00 82.78 0.84 36 G E E 12.38 13.75 20.64 34.66 128.64 -152.92 -113.73 162.61 18.02 81.92 0.06 13.57 4.13 0.35 0.01 0.05 0.00 81.57 0.32 37 L E E 71.76 9.06 21.43 30.95 118.42 -98.95 -97.53 135.24 6.81 93.17 0.02 5.42 1.23 0.09 0.00 0.02 0.00 93.05 0.19 38 I E E 43.64 15.80 11.72 27.77 123.88 -161.49 -113.62 141.98 2.74 97.25 0.01 2.66 0.15 0.01 0.01 0.00 0.00 83.85 13.32 39 D C C 59.45 4.56 14.46 20.46 124.60 -129.29 -81.50 174.86 96.61 3.37 0.02 97.11 0.23 0.04 0.00 0.01 0.00 2.29 0.33 40 E C T 167.33 1.21 11.45 13.51 90.04 -88.30 -63.63 -20.37 99.59 0.18 0.23 0.24 2.63 96.78 0.00 0.21 0.00 0.12 0.02 41 N C T 125.56 0.87 13.76 13.56 92.42 54.41 -89.96 1.35 99.73 0.05 0.22 0.17 2.77 96.82 0.00 0.20 0.00 0.02 0.01 42 G C S 25.63 11.35 11.12 23.46 96.30 -105.49 86.20 8.31 99.35 0.37 0.28 16.70 81.77 1.00 0.02 0.19 0.00 0.18 0.14 43 A C C 50.41 4.72 17.14 23.20 118.45 140.40 -82.05 143.03 88.93 11.02 0.06 86.22 3.63 0.13 0.02 0.03 0.00 5.57 4.39 44 Y E E 70.91 15.96 11.04 27.10 111.34 -112.94 -74.10 129.68 2.37 97.62 0.01 2.28 0.12 0.01 0.01 0.00 0.00 67.54 30.03 45 I E E 90.90 5.78 16.96 23.81 104.84 -176.49 -103.91 0.44 34.11 65.80 0.10 28.23 4.46 0.60 0.01 0.10 0.00 65.93 0.67 46 G C E 40.93 4.74 16.54 22.03 117.12 -43.95 91.71 -154.14 52.79 47.04 0.17 13.19 35.56 3.05 0.01 0.16 0.00 47.61 0.42 47 E C E 119.58 4.41 17.88 23.21 116.54 -9.26 -97.15 138.79 53.29 46.45 0.27 34.30 16.58 1.74 0.03 0.27 0.00 46.60 0.48 48 Y E E 84.62 16.63 13.04 28.84 125.98 -160.61 -118.74 141.98 31.68 68.24 0.08 27.10 3.43 0.24 0.01 0.06 0.00 68.71 0.44 49 K E E 83.54 10.62 20.63 31.62 126.29 -165.50 -124.23 138.59 3.80 96.19 0.01 3.54 0.15 0.01 0.00 0.00 0.00 96.11 0.18 50 T E E 41.25 16.34 19.42 35.39 122.01 -147.86 -109.24 134.39 1.17 98.83 0.00 1.10 0.04 0.00 0.00 0.00 0.00 98.82 0.04 51 I E E 18.02 18.85 21.93 40.62 127.66 -172.23 -126.32 140.84 1.00 99.00 0.00 0.93 0.04 0.00 0.00 0.00 0.00 98.99 0.04 52 A E E 15.37 18.39 25.16 43.08 118.09 -138.10 -98.24 133.61 2.65 97.32 0.03 2.39 0.12 0.01 0.01 0.01 0.00 97.39 0.06 53 F E E 11.65 23.06 22.74 45.17 122.26 -166.46 -116.86 135.37 12.36 87.35 0.29 11.81 0.57 0.11 0.18 0.10 0.00 86.22 1.00 54 A C C 16.33 17.66 22.69 39.84 125.19 -165.28 -114.84 155.09 53.15 39.33 7.52 41.45 8.35 2.93 4.73 2.58 0.01 38.16 1.80 55 G H H 23.47 12.08 22.57 34.23 99.59 5.60 -8.77 -66.50 43.89 6.69 49.42 12.80 15.16 17.31 34.76 12.84 0.71 4.99 1.43 56 F H H 84.41 9.46 21.92 31.59 93.55 49.41 -67.72 -31.85 30.09 4.87 65.04 13.00 6.89 11.72 46.96 16.32 0.37 3.64 1.10 57 L H H 28.62 18.31 16.17 33.96 93.08 58.53 -67.09 -36.99 24.41 4.38 71.21 11.45 5.53 9.02 50.70 18.87 0.28 3.11 1.04 58 R H H 94.88 12.68 16.83 29.23 93.60 53.09 -68.52 -33.65 30.54 5.18 64.28 14.14 6.43 11.60 47.11 15.35 0.36 3.53 1.48 59 R H H 147.95 4.11 17.53 22.60 95.71 54.15 -75.35 -20.39 47.92 3.16 48.91 12.72 10.67 25.49 36.53 10.98 0.49 1.78 1.34 60 G C T 41.63 6.79 15.88 23.40 100.96 49.05 -80.63 -10.37 70.98 1.04 27.98 12.98 18.27 39.80 22.28 5.48 0.08 0.44 0.67 61 A C T 65.08 7.95 15.91 24.43 99.22 -115.89 -8.06 -10.44 70.22 1.64 28.14 18.08 25.07 27.58 21.99 5.52 0.12 0.70 0.95 62 A C C 55.94 7.03 18.67 26.27 97.87 77.63 -74.39 -19.91 58.88 2.42 38.71 35.99 10.42 12.96 33.59 4.81 0.04 1.19 0.99 63 S H H 20.69 17.18 15.41 32.10 95.41 64.84 -69.76 -36.31 40.19 1.14 58.66 29.82 4.91 6.68 54.49 3.11 0.02 0.55 0.43 64 D H H 58.82 12.72 19.06 31.41 93.20 56.32 -65.49 -39.70 12.68 0.24 87.08 7.59 2.02 3.73 84.65 1.81 0.01 0.11 0.08 65 Q H H 101.21 3.33 23.95 26.69 92.29 51.56 -65.80 -39.89 4.13 0.08 95.80 1.77 0.60 1.87 94.49 1.20 0.01 0.04 0.02 66 A H H 24.46 10.99 20.47 32.52 91.94 51.34 -64.61 -42.12 2.02 0.04 97.94 0.80 0.25 0.97 97.16 0.78 0.01 0.02 0.01 67 L H H 16.79 20.90 18.93 39.23 91.96 50.36 -64.07 -42.66 1.03 0.02 98.95 0.32 0.11 0.53 98.69 0.33 0.00 0.01 0.00 68 N H H 59.39 10.97 21.53 32.56 91.57 51.20 -63.56 -41.35 0.91 0.01 99.07 0.27 0.09 0.47 99.01 0.15 0.00 0.01 0.00 69 R H H 120.94 3.52 23.86 27.03 91.79 50.41 -64.52 -41.67 0.61 0.01 99.37 0.13 0.06 0.36 99.33 0.11 0.00 0.01 0.00 70 L H H 29.41 13.11 19.51 33.48 92.14 49.91 -64.69 -42.75 0.39 0.01 99.60 0.07 0.03 0.25 99.53 0.11 0.00 0.01 0.00 71 M H H 20.66 16.39 16.13 33.24 92.16 49.71 -64.35 -42.24 0.50 0.02 99.49 0.09 0.04 0.32 99.40 0.14 0.00 0.01 0.00 72 L H H 85.76 5.49 17.80 24.14 92.35 48.98 -65.12 -41.38 0.96 0.01 99.03 0.10 0.05 0.72 98.90 0.21 0.00 0.01 0.00 73 A H H 70.61 3.50 17.21 21.43 91.61 50.94 -66.41 -34.88 4.27 0.01 95.72 0.13 0.14 3.93 95.55 0.23 0.00 0.00 0.00 74 A C T 46.32 9.32 13.64 24.27 94.34 48.36 -87.95 -2.19 71.82 0.06 28.12 0.57 1.39 67.76 29.63 0.57 0.01 0.02 0.05 75 N C T 114.53 3.19 17.70 21.77 94.95 -119.16 62.77 26.98 93.60 0.13 6.27 2.65 2.61 87.78 6.23 0.61 0.00 0.07 0.05 76 I C C 41.45 12.67 14.27 28.02 97.92 127.95 -85.70 -20.34 57.10 6.89 36.02 27.79 14.60 15.71 25.45 9.95 0.22 4.12 2.16 77 L H H 40.24 16.18 12.09 27.94 112.86 67.55 -97.36 122.98 38.95 19.72 41.33 14.79 10.75 15.46 25.70 14.05 1.47 13.11 4.66 78 K H H 123.15 4.88 15.66 21.71 107.26 -142.22 -88.60 42.01 41.07 17.78 41.15 21.89 8.25 12.47 25.20 15.47 0.25 13.64 2.82 79 E C C 125.39 4.12 14.07 19.46 110.74 34.40 -87.69 113.47 60.68 7.89 31.43 33.07 11.31 16.72 20.78 10.34 0.08 5.83 1.87 80 K C C 120.13 6.58 12.04 19.93 109.08 -119.20 -83.28 112.88 81.15 4.59 14.25 40.76 16.27 24.35 10.05 4.24 0.02 3.04 1.29 81 G C C 45.83 5.25 13.01 19.50 107.58 -0.21 85.42 -26.86 87.57 3.56 8.87 40.86 20.23 27.02 4.45 4.07 0.01 2.46 0.91 82 E C C 126.22 4.09 13.55 18.92 106.23 27.20 -88.52 68.47 77.95 8.43 13.62 46.77 17.14 14.27 6.49 7.05 0.01 6.32 1.95 83 S C C 57.57 9.12 11.43 21.36 111.45 94.15 -88.58 128.10 64.23 16.07 19.69 41.57 13.28 9.76 10.06 9.57 0.04 13.40 2.32 84 E C C 103.64 7.49 14.26 22.69 108.25 -155.33 -91.58 89.68 48.16 28.43 23.42 33.10 8.95 6.83 14.00 9.56 0.09 24.83 2.66 85 V C E 72.81 9.73 13.10 23.65 113.47 120.18 -95.96 122.63 39.74 35.48 24.79 28.93 6.31 5.00 16.29 9.04 0.10 31.29 3.03 86 V C C 77.71 8.95 13.40 23.22 110.90 -165.21 -95.42 115.47 47.40 31.85 20.74 32.05 8.28 7.10 13.56 7.62 0.09 28.71 2.58 87 D C C 98.42 4.50 15.70 21.31 108.41 69.29 -96.03 87.31 67.75 18.41 13.84 43.27 15.41 8.81 8.19 5.99 0.05 15.74 2.54 88 V C C 53.88 12.72 10.47 23.63 117.55 143.89 -97.84 134.93 88.21 5.67 6.12 61.56 24.18 2.51 4.95 1.48 0.00 4.06 1.25 89 P C C 69.52 6.38 13.16 21.15 109.71 -110.07 -67.80 146.71 78.00 2.53 19.47 66.04 5.86 6.26 12.84 6.50 0.00 1.84 0.64 90 K C C 136.52 4.63 12.07 18.28 99.90 -124.34 -74.51 -14.81 58.90 3.48 37.62 33.08 11.00 14.75 19.53 18.29 0.03 2.14 1.18 91 Q C C 110.77 4.96 11.11 17.54 108.83 70.76 -90.15 92.80 53.49 5.91 40.60 30.55 9.81 13.53 19.80 20.60 0.04 4.13 1.54 92 R C C 135.12 6.39 10.01 17.80 106.22 75.91 -86.07 35.60 54.44 7.79 37.77 33.27 9.89 11.83 18.49 19.05 0.05 5.41 2.02 93 R C C 153.39 3.90 9.85 15.48 108.43 88.85 -89.79 72.19 67.83 7.48 24.68 31.72 12.61 24.51 13.87 9.87 0.06 4.90 2.46 94 G C C 54.56 2.89 10.59 15.00 105.79 -33.92 76.45 5.16 88.93 3.02 8.05 59.65 4.36 25.79 3.91 3.11 0.00 2.17 1.01 95 H C C 128.19 4.79 10.75 17.17 107.12 72.45 -90.18 79.16 99.74 0.20 0.06 99.50 0.21 0.12 0.03 0.01 0.00 0.10 0.03