# 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 102.28 7.07 15.20 23.14 116.80 -158.86 -97.50 130.84 99.68 0.32 0.01 99.67 0.10 0.03 0.00 0.00 0.00 0.18 0.02 1 I C C 84.93 10.30 10.27 21.28 116.83 -152.57 -98.80 131.03 80.95 18.47 0.58 79.99 1.13 0.65 0.34 0.19 0.00 12.20 5.49 2 R C C 144.93 3.88 13.57 19.13 118.23 -158.66 -104.41 135.05 82.06 17.23 0.71 69.12 11.32 1.27 0.30 0.43 0.00 15.30 2.27 3 P C C 79.44 7.85 11.58 20.76 113.77 -109.24 -67.44 145.16 75.36 18.77 5.87 63.37 6.92 4.49 2.35 3.45 0.00 16.41 3.01 4 I C C 89.45 8.35 11.21 20.84 112.94 -136.27 -92.78 131.30 68.51 19.05 12.44 48.75 10.92 8.86 4.89 7.61 0.06 14.14 4.76 5 A C C 68.41 6.01 11.76 19.20 113.48 -140.73 -92.42 132.95 67.84 16.34 15.82 43.14 13.66 11.69 4.98 10.51 0.04 12.96 3.02 6 D C C 97.40 4.91 12.00 18.52 110.85 -154.42 -92.08 113.08 72.23 13.58 14.20 41.91 18.07 13.33 4.34 9.35 0.04 10.56 2.40 7 T C C 89.29 5.16 11.83 18.60 110.56 116.57 -94.99 107.10 77.25 11.86 10.89 45.14 20.89 11.96 3.72 6.92 0.03 8.63 2.72 8 Y C C 119.99 7.70 10.64 19.79 118.02 -163.93 -98.28 133.54 86.57 10.02 3.42 53.81 29.54 3.81 1.60 1.74 0.01 6.80 2.71 9 P C C 86.62 4.87 13.43 19.74 112.28 -112.35 -70.62 145.71 88.35 6.96 4.69 70.18 10.00 8.14 1.61 2.96 0.00 5.61 1.51 10 L C C 102.44 7.25 11.02 19.65 113.80 -120.22 -85.22 134.72 83.95 10.33 5.71 57.10 18.37 8.15 2.15 3.66 0.01 5.96 4.60 11 L C C 94.90 6.46 11.83 19.90 117.83 -126.96 -92.53 136.75 88.68 8.01 3.31 59.12 26.88 3.19 1.69 1.54 0.00 4.92 2.66 12 P C C 88.65 5.19 13.30 19.95 113.44 -103.71 -69.41 146.71 89.77 4.81 5.42 74.43 10.63 4.82 3.08 2.16 0.00 3.23 1.63 13 L C C 81.34 9.98 9.89 20.71 113.84 -111.29 -78.00 142.66 86.51 5.15 8.34 72.34 9.85 4.09 6.17 2.34 0.00 2.83 2.38 14 S C C 62.54 4.36 13.17 18.84 115.89 -112.59 -76.93 154.35 81.31 4.84 13.86 67.20 8.83 4.68 11.27 3.23 0.00 2.74 2.07 15 K H H 145.25 3.31 11.43 16.41 99.16 -109.49 -68.44 -21.89 40.15 4.38 55.47 21.99 9.03 10.83 40.15 13.74 0.12 2.94 1.19 16 A H H 71.10 3.70 11.28 16.41 102.41 69.20 -79.01 -7.66 38.13 4.98 56.89 20.23 7.50 11.37 40.02 15.95 0.13 3.64 1.16 17 Q H H 103.33 5.28 11.31 17.93 103.92 67.50 -84.48 15.14 38.29 5.38 56.33 21.24 7.54 10.60 39.30 16.08 0.12 3.78 1.34 18 M C H 100.19 6.33 11.31 18.93 104.25 89.70 -83.82 7.90 50.13 3.45 46.42 22.88 12.87 16.25 37.30 7.33 0.14 1.99 1.24 19 G C H 42.98 3.80 13.93 18.60 104.51 37.75 -33.97 -41.16 62.45 2.18 35.37 26.08 15.91 20.62 30.76 4.62 0.05 1.17 0.80 20 Q C H 103.40 4.36 13.91 19.24 99.32 43.24 -74.27 -27.85 50.47 3.12 46.41 30.89 10.44 9.84 41.44 4.62 0.03 1.87 0.88 21 R H H 109.94 9.08 13.05 22.72 95.79 63.92 -68.22 -33.61 33.49 3.56 62.96 22.08 6.39 7.27 55.68 5.20 0.04 2.54 0.80 22 Q H H 98.18 5.09 15.12 21.12 94.71 58.41 -67.83 -35.89 21.67 4.42 73.91 14.73 3.77 5.33 65.51 5.91 0.04 4.06 0.64 23 E H H 102.83 4.27 16.69 21.51 94.38 55.34 -68.05 -37.71 17.72 7.03 75.25 11.52 3.01 4.85 66.68 6.07 0.06 7.11 0.70 24 I H H 57.34 10.23 14.63 25.79 94.54 52.80 -68.72 -40.07 15.98 8.59 75.43 10.07 2.72 4.51 67.91 5.16 0.07 8.80 0.76 25 I H H 67.24 9.38 15.27 25.48 94.53 51.54 -68.46 -38.44 18.37 7.84 73.79 10.84 3.25 5.59 67.64 4.35 0.10 7.30 0.95 26 N H H 91.96 4.23 17.17 21.77 95.31 52.50 -73.26 -27.50 29.67 4.48 65.84 15.71 4.91 10.07 61.10 3.76 0.07 3.57 0.82 27 S H H 52.56 7.21 14.21 22.53 97.90 62.77 -76.06 -24.84 44.70 2.80 52.50 21.16 8.60 15.71 48.14 3.82 0.06 1.74 0.77 28 H C H 96.36 8.78 13.99 23.45 101.18 57.77 -87.24 -3.43 53.87 3.29 42.84 28.04 10.81 15.59 38.27 4.30 0.05 1.96 0.98 29 K C H 111.36 6.95 13.88 21.94 103.98 87.83 -78.49 25.30 54.44 4.56 40.99 29.99 11.50 13.81 33.43 7.00 0.07 2.95 1.26 30 R C C 135.13 5.33 14.64 20.96 107.73 100.31 -87.45 107.53 55.19 7.26 37.55 32.62 9.96 12.98 28.85 8.60 0.08 5.10 1.80 31 L C C 85.08 7.98 13.35 22.29 108.16 -143.73 -86.55 105.61 55.57 10.11 34.32 36.27 9.08 10.26 25.28 9.28 0.08 7.35 2.40 32 W C C 121.20 9.41 11.79 21.92 109.04 -153.44 -90.82 107.46 60.00 9.43 30.57 32.87 12.36 15.27 22.95 7.51 0.12 6.43 2.50 33 D C C 88.94 5.06 13.48 19.70 109.74 73.56 -89.70 113.45 71.47 5.70 22.83 39.21 16.72 15.71 17.16 5.87 0.05 3.52 1.77 34 K C C 124.31 5.44 12.24 18.99 102.30 -120.19 -79.32 -2.45 66.81 3.46 29.73 33.21 18.75 15.82 20.96 8.02 0.06 1.86 1.32 35 T C C 86.00 4.17 13.24 18.61 103.54 66.01 -78.47 3.47 65.73 4.52 29.76 35.65 15.00 15.73 20.48 8.83 0.05 2.70 1.55 36 M C C 92.65 7.64 12.64 21.41 103.79 62.11 -80.97 12.50 62.50 7.04 30.46 39.80 12.56 10.47 22.09 8.35 0.06 4.22 2.44 37 A C C 51.28 8.77 13.12 22.92 101.09 64.35 -70.36 -30.50 62.96 5.10 31.94 46.58 10.02 6.25 25.98 6.38 0.01 3.25 1.54 38 T C C 71.02 7.17 14.11 22.26 96.37 62.15 -71.30 -33.83 56.65 4.85 38.49 42.06 7.39 7.02 28.72 10.16 0.01 3.36 1.27 39 D H H 90.18 4.76 16.23 21.82 95.50 56.31 -70.97 -31.21 45.60 5.63 48.77 29.27 7.95 8.36 31.60 17.52 0.04 4.01 1.24 40 L H H 68.95 10.62 14.55 25.76 94.91 56.75 -71.26 -33.33 37.47 6.81 55.72 22.58 7.19 8.20 32.15 23.52 0.06 5.08 1.23 41 I H H 68.43 12.29 14.82 27.22 95.51 61.32 -71.39 -30.41 37.11 7.20 55.68 23.59 6.38 7.74 30.29 25.28 0.05 5.36 1.31 42 M C C 98.53 7.68 17.26 25.56 97.40 62.93 -75.25 -17.11 48.62 5.95 45.43 27.19 9.25 12.69 21.24 24.12 0.07 3.90 1.54 43 T C C 69.53 8.90 19.12 28.22 99.40 60.58 -84.26 -10.47 59.49 7.63 32.88 29.68 11.78 19.11 14.09 18.02 0.08 5.06 2.18 44 I C C 29.16 20.65 14.35 34.37 113.52 93.83 -95.77 120.11 69.40 18.49 12.11 43.22 17.58 7.76 5.86 5.74 0.08 6.02 13.76 45 L C C 72.06 8.35 21.80 30.43 122.61 -161.89 -104.11 145.32 98.12 1.50 0.38 82.43 14.59 1.14 0.15 0.19 0.00 0.61 0.88 46 P C T 62.79 12.48 15.83 28.64 110.65 -91.29 -60.01 137.19 99.39 0.36 0.25 0.47 1.85 97.31 0.02 0.11 0.00 0.17 0.08 47 G C T 39.24 6.26 20.50 27.71 96.01 24.59 88.35 -5.22 99.73 0.18 0.09 0.54 1.92 97.35 0.00 0.06 0.00 0.11 0.01 48 M C C 43.35 13.71 17.96 32.55 119.45 127.94 -80.44 147.92 88.66 11.32 0.02 83.78 4.53 0.10 0.00 0.02 0.00 11.20 0.36 49 T E E 49.33 11.37 22.81 34.48 117.36 -125.14 -90.63 136.09 4.65 95.34 0.00 4.58 0.15 0.01 0.00 0.00 0.00 94.52 0.73 50 V E E 6.41 23.74 17.29 41.40 130.67 -173.93 -129.62 147.58 0.91 99.09 0.00 0.85 0.02 0.00 0.00 0.00 0.00 99.10 0.02 51 K E E 67.43 10.38 25.56 36.52 116.29 -138.90 -103.05 126.62 0.39 99.61 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.61 0.02 52 V E E 7.70 23.31 17.06 40.79 119.12 -164.28 -110.30 127.38 2.03 97.97 0.00 1.84 0.09 0.00 0.00 0.00 0.00 97.99 0.07 53 T E E 55.84 8.61 22.82 31.81 119.89 -167.17 -113.09 130.39 24.37 75.62 0.01 21.37 2.15 0.07 0.00 0.01 0.00 75.89 0.50 54 N C C 32.15 14.39 13.40 28.81 109.82 -151.04 -108.45 103.91 86.10 13.86 0.04 83.24 2.50 0.16 0.01 0.03 0.00 13.48 0.58 55 P C T 85.20 5.56 14.40 21.90 93.08 -167.34 -66.37 -22.28 98.92 0.65 0.43 3.25 12.63 82.94 0.02 0.51 0.00 0.56 0.08 56 N C T 130.46 1.00 15.33 15.33 96.21 49.43 -90.85 -8.79 99.26 0.45 0.29 1.43 16.08 81.73 0.01 0.36 0.00 0.33 0.07 57 D C C 48.75 9.87 10.02 21.36 112.73 58.67 -119.22 103.06 85.05 14.71 0.24 68.76 16.01 0.94 0.05 0.25 0.00 10.86 3.13 58 T C T 86.69 5.62 13.36 20.85 92.54 -166.69 -68.54 -19.98 86.73 8.21 5.07 6.66 18.03 61.47 0.22 5.59 0.00 7.27 0.76 59 Y C T 132.66 5.77 16.01 22.74 94.04 62.41 -79.41 -16.13 80.72 15.67 3.61 5.07 17.85 57.84 0.15 3.85 0.00 14.42 0.82 60 Y C E 75.88 12.00 15.03 27.81 106.61 65.87 -93.68 64.82 57.34 38.02 4.65 33.47 13.03 11.91 0.34 5.25 0.00 34.68 1.31 61 Q E E 71.80 10.35 20.69 31.32 103.97 -143.27 -84.42 68.05 41.12 58.01 0.86 26.74 9.85 5.18 0.09 0.82 0.00 56.63 0.69 62 F E E 19.48 20.78 17.41 38.15 125.48 140.28 -114.73 146.81 7.09 92.86 0.05 5.99 0.83 0.18 0.01 0.03 0.00 92.62 0.35 63 Q E E 66.12 12.05 25.26 37.21 131.06 -166.75 -129.75 146.84 2.32 97.67 0.00 1.96 0.16 0.02 0.00 0.00 0.00 97.81 0.05 64 G E E 5.71 17.55 22.23 39.89 144.54 121.95 -169.69 -174.56 2.26 97.73 0.00 1.63 0.35 0.02 0.00 0.00 0.00 97.98 0.02 65 I E E 40.16 12.66 25.80 39.33 124.24 -74.26 -118.02 139.40 0.95 99.05 0.00 0.81 0.04 0.00 0.00 0.00 0.00 99.13 0.02 66 V E E 6.40 24.34 18.40 43.43 112.14 -129.76 -85.78 125.61 0.71 99.28 0.00 0.66 0.01 0.00 0.00 0.00 0.00 99.31 0.02 67 Q E E 51.75 12.08 24.19 36.58 103.27 174.10 -101.36 -28.23 0.71 99.29 0.00 0.60 0.03 0.00 0.00 0.00 0.00 99.35 0.01 68 R E E 83.00 10.25 23.66 34.10 138.26 -2.31 -151.54 150.02 1.25 98.74 0.01 1.03 0.12 0.02 0.00 0.00 0.00 98.78 0.04 69 I E E 48.19 17.46 14.32 31.45 119.62 -153.00 -113.46 127.16 5.23 94.67 0.10 4.40 0.59 0.17 0.03 0.07 0.00 94.44 0.29 70 T E E 56.62 7.63 15.74 24.89 126.57 166.37 -137.66 138.95 19.65 79.61 0.74 7.30 4.74 7.97 0.07 0.65 0.00 78.49 0.76 71 D C T 129.80 1.01 16.60 16.70 93.87 -13.97 52.58 41.06 99.21 0.33 0.46 0.55 8.08 90.56 0.01 0.52 0.00 0.22 0.05 72 G C T 39.83 8.51 14.74 24.00 94.89 -50.59 82.65 3.30 99.37 0.32 0.31 0.94 12.57 85.86 0.01 0.35 0.00 0.23 0.04 73 K E E 78.58 9.93 19.61 30.34 129.25 103.69 -117.04 146.89 7.90 92.08 0.03 5.94 1.53 0.22 0.00 0.03 0.00 91.99 0.28 74 V E E 11.91 20.95 17.83 39.41 120.96 -142.62 -111.58 134.21 0.60 99.39 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.38 0.02 75 A E E 9.75 16.42 24.71 41.56 125.59 -166.20 -115.15 143.31 0.21 99.79 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 76 V E E 7.09 23.03 21.91 44.97 122.80 -157.95 -120.02 132.47 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 77 L E E 26.65 14.62 24.42 39.55 116.92 -157.15 -106.00 127.06 0.34 99.66 0.00 0.31 0.00 0.00 0.00 0.00 0.00 99.68 0.00 78 F E E 22.89 19.14 17.37 36.71 123.05 -166.81 -112.92 138.05 3.93 96.06 0.01 3.62 0.15 0.01 0.00 0.00 0.00 96.12 0.10 79 E E E 90.27 8.96 18.55 28.12 119.57 -157.95 -111.09 134.07 25.37 74.43 0.20 19.06 5.68 1.23 0.03 0.18 0.00 73.23 0.59 80 G C S 34.32 8.25 14.33 23.71 128.84 129.17 -146.10 168.00 74.01 24.99 1.00 27.25 34.50 12.59 0.10 1.02 0.00 23.09 1.45 81 G C S 54.13 2.48 15.80 18.41 110.85 -31.15 61.56 -136.06 97.53 1.26 1.21 4.66 58.82 34.17 0.06 1.18 0.00 0.85 0.26 82 N C S 117.35 3.62 14.67 19.29 98.26 -13.17 -88.58 2.74 95.88 3.04 1.08 5.06 54.90 36.18 0.05 1.07 0.00 2.30 0.43 83 W E E 98.77 12.68 11.97 24.82 116.61 81.48 -101.72 123.51 44.52 54.88 0.60 24.15 19.07 4.47 0.11 0.62 0.00 49.09 2.49 84 D E E 77.57 8.91 16.00 25.65 113.34 156.11 -103.91 120.67 29.47 70.21 0.32 21.43 6.11 1.74 0.04 0.35 0.00 69.75 0.58 85 K E E 89.87 8.91 19.51 28.95 127.31 42.84 -123.90 143.10 15.15 84.71 0.13 11.98 2.05 0.44 0.02 0.12 0.00 85.20 0.20 86 L E E 60.46 15.97 17.40 32.83 119.52 -141.42 -104.52 132.24 3.23 96.77 0.01 2.90 0.19 0.02 0.00 0.00 0.00 96.84 0.05 87 V E E 24.87 15.97 19.85 36.41 124.04 -168.42 -118.74 135.92 0.42 99.58 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.53 0.01 88 T E E 49.84 14.11 20.73 34.66 124.65 -161.34 -117.15 136.40 0.87 99.13 0.00 0.81 0.02 0.00 0.00 0.00 0.00 99.14 0.02 89 F E E 23.96 17.63 17.39 35.65 131.18 -175.81 -132.92 149.39 8.58 91.41 0.00 8.00 0.31 0.01 0.00 0.00 0.00 91.44 0.24 90 Q C C 77.94 6.03 23.53 29.75 113.80 -108.83 -72.70 140.59 61.82 38.04 0.15 60.88 0.98 0.07 0.02 0.13 0.00 37.48 0.45 91 A H G 22.60 20.76 12.24 32.51 91.44 -120.10 -58.09 -34.29 6.12 0.36 93.53 1.18 0.73 3.55 1.04 93.14 0.00 0.35 0.01 92 S H G 85.79 2.23 20.06 22.64 89.65 63.90 -68.82 -15.64 5.94 0.23 93.83 0.50 0.60 4.39 0.97 93.32 0.00 0.21 0.01 93 E H G 84.56 8.89 17.44 27.44 93.86 59.58 -88.61 -5.57 6.55 0.32 93.14 0.85 0.91 4.18 0.89 92.85 0.00 0.30 0.01 94 L C C 14.73 23.93 9.58 32.38 117.77 96.94 -88.14 137.03 53.95 45.03 1.02 41.43 13.66 0.75 0.31 0.75 0.00 38.74 4.37 95 E E E 106.25 4.64 21.24 26.42 121.52 -156.35 -108.91 138.44 25.68 74.20 0.11 24.12 1.35 0.10 0.06 0.06 0.00 72.17 2.14 96 P E E 72.41 10.69 14.70 25.90 113.05 -105.91 -66.72 141.96 23.43 76.23 0.34 22.25 1.09 0.25 0.15 0.18 0.00 73.27 2.80 97 V C C 66.96 11.89 11.45 23.64 111.00 -138.34 -88.94 128.66 77.13 21.14 1.73 64.23 9.90 1.93 0.35 1.50 0.00 20.79 1.31 98 V C C 108.37 2.78 13.92 17.82 111.61 -132.25 -96.26 118.77 79.33 19.26 1.41 64.03 12.54 2.19 0.31 1.21 0.00 17.47 2.25 99 V C C 88.04 6.85 9.91 18.33 115.13 -135.58 -95.41 132.33 86.60 11.85 1.55 75.52 9.56 1.54 0.46 1.08 0.00 9.55 2.30 100 T C C 78.70 4.51 10.44 16.78 118.97 -154.78 -100.68 140.70 94.90 3.94 1.16 85.50 8.61 1.01 0.58 0.54 0.00 2.65 1.11 101 P C C 93.07 3.96 10.05 15.73 109.05 -107.43 -66.94 146.95 80.86 3.77 15.37 57.10 11.48 12.35 6.69 8.53 0.00 2.36 1.48 102 K C C 149.30 2.52 9.38 13.54 107.61 -116.09 -82.80 119.96 78.01 3.41 18.59 48.79 15.40 14.10 8.81 9.45 0.01 1.94 1.49 103 E C C 132.65 2.95 8.95 13.61 110.49 -123.33 -87.16 129.35 71.72 4.55 23.74 47.41 14.83 9.70 13.00 10.54 0.02 2.60 1.90 104 K C C 142.01 2.86 8.98 13.54 111.70 -137.36 -88.16 127.84 69.21 4.13 26.65 48.82 11.65 8.79 17.36 9.28 0.01 2.42 1.67 105 A C C 72.29 4.18 7.94 13.92 113.06 -124.87 -81.71 138.65 68.92 3.67 27.40 46.86 11.87 10.49 16.39 10.75 0.01 2.20 1.42 106 K C C 150.92 1.95 8.71 12.14 112.29 -126.89 -86.01 130.19 70.48 4.21 25.31 44.24 14.36 12.37 13.76 11.16 0.02 2.41 1.69 107 A C C 83.08 2.70 7.29 11.87 111.25 -115.39 -82.18 131.41 74.99 5.73 19.28 50.26 12.70 12.24 10.52 8.55 0.01 3.48 2.25 108 K C C 154.45 1.97 7.63 11.29 111.41 -128.99 -87.09 127.47 87.88 3.67 8.45 79.12 2.05 7.49 5.10 2.53 0.00 2.11 1.60 109 K C C 157.64 1.95 9.90 13.38 109.71 -124.86 -84.16 123.83 99.88 0.09 0.04 99.71 0.12 0.09 0.02 0.00 0.00 0.04 0.01