# 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 101.37 6.87 13.94 22.02 119.48 -164.70 -102.31 137.73 99.80 0.18 0.02 99.75 0.10 0.03 0.01 0.00 0.00 0.08 0.02 1 A C C 58.30 6.66 11.59 19.78 113.90 -120.75 -80.17 140.73 78.69 10.04 11.27 74.10 1.61 4.06 5.75 4.14 0.00 7.10 3.24 2 L C C 97.28 7.85 10.67 19.56 99.47 -139.76 -75.42 -21.49 56.34 11.56 32.10 35.74 12.01 10.44 8.24 22.69 0.02 9.01 1.84 3 Q C C 127.51 3.25 13.56 17.90 100.90 63.47 -78.90 -14.62 54.98 11.40 33.62 29.85 14.65 12.81 7.29 24.51 0.04 9.45 1.41 4 D C C 89.65 5.42 14.27 20.83 102.16 57.28 -88.60 19.82 54.64 13.80 31.56 32.47 12.90 11.04 6.19 23.94 0.03 12.14 1.28 5 V C C 54.25 14.08 11.77 25.93 118.22 116.73 -97.30 131.59 57.49 36.09 6.41 45.57 8.80 3.02 2.81 3.22 0.01 34.84 1.73 6 V E E 55.51 10.11 16.90 28.23 119.27 -156.05 -106.70 131.78 31.55 67.49 0.96 28.17 2.49 0.63 0.45 0.44 0.00 66.70 1.11 7 T E E 67.54 12.52 15.58 28.34 124.85 -163.23 -118.70 139.43 16.14 83.59 0.27 14.87 0.96 0.21 0.10 0.12 0.00 83.35 0.39 8 R E E 84.03 11.39 17.05 29.34 128.24 -173.85 -130.62 141.47 7.30 92.57 0.13 6.71 0.48 0.09 0.04 0.05 0.00 92.38 0.24 9 E E E 104.60 9.05 17.58 27.91 121.51 -153.42 -111.68 133.81 5.27 94.65 0.07 4.99 0.25 0.04 0.03 0.02 0.00 94.51 0.17 10 Y E E 46.94 15.46 16.36 32.41 131.10 -176.38 -134.22 147.25 5.91 94.02 0.07 5.61 0.25 0.04 0.03 0.02 0.00 93.93 0.12 11 T E E 66.28 9.80 20.62 31.11 122.03 -151.75 -114.97 132.29 6.94 93.00 0.06 6.45 0.35 0.05 0.02 0.02 0.00 92.92 0.18 12 I E E 15.27 20.95 15.77 37.06 119.56 -164.78 -116.96 126.73 10.01 89.89 0.10 9.34 0.59 0.08 0.04 0.04 0.00 89.51 0.40 13 N E E 65.52 7.26 23.53 31.58 106.97 -138.19 -86.46 107.92 23.38 76.44 0.18 22.87 0.55 0.10 0.09 0.07 0.00 75.34 0.99 14 L C C 8.64 23.45 15.39 39.52 96.81 173.78 -90.42 -9.89 56.64 3.11 40.25 46.62 4.36 5.72 32.39 7.89 0.01 2.36 0.64 15 H H H 63.88 15.34 15.76 30.99 92.02 88.01 -61.12 -35.91 16.94 0.42 82.64 3.73 2.58 9.88 62.00 21.31 0.10 0.27 0.15 16 K H H 140.67 2.03 20.16 21.83 91.97 55.68 -67.84 -31.57 11.66 0.27 88.07 1.79 1.49 7.44 66.40 22.55 0.07 0.18 0.08 17 R H H 102.05 9.97 17.05 27.45 95.18 50.10 -79.46 -24.73 11.60 0.25 88.14 1.85 1.55 7.45 68.96 19.88 0.06 0.17 0.08 18 L H H 20.64 20.46 11.73 31.55 99.88 44.26 -96.12 -9.55 29.18 1.13 69.70 5.05 5.34 19.17 56.05 12.51 0.64 0.58 0.65 19 H C T 115.67 7.63 14.50 23.46 108.84 104.04 -67.83 119.01 70.48 0.84 28.68 4.39 5.69 58.17 25.33 5.31 0.10 0.38 0.64 20 G C T 64.11 0.89 16.63 16.20 95.37 5.86 82.83 1.35 90.69 0.22 9.09 9.28 9.18 72.31 6.50 2.48 0.00 0.11 0.15 21 V C C 48.54 11.46 9.50 22.06 122.05 125.36 -93.70 148.25 97.98 1.14 0.88 51.10 45.52 1.23 0.60 0.21 0.00 0.30 1.03 22 N C C 85.38 2.49 19.79 21.29 117.33 -105.68 -71.44 155.80 98.67 1.07 0.26 97.24 1.27 0.22 0.16 0.04 0.00 0.26 0.81 23 F H H 76.25 16.74 11.66 27.89 91.60 -111.97 -58.08 -38.28 6.42 0.03 93.56 0.74 0.93 4.65 85.77 7.86 0.02 0.01 0.01 24 K H H 133.21 4.53 17.64 23.27 91.68 54.91 -64.76 -36.30 4.76 0.02 95.22 0.23 0.30 4.11 84.54 10.81 0.01 0.01 0.00 25 K H H 127.20 2.81 20.45 23.02 93.86 44.87 -77.12 -28.87 4.62 0.02 95.36 0.28 0.31 3.89 83.29 12.20 0.01 0.01 0.01 26 R H H 44.12 16.67 16.28 32.70 95.27 47.62 -80.71 -25.66 8.38 0.04 91.57 1.08 0.95 6.33 87.53 4.05 0.02 0.02 0.02 27 A H H 10.08 21.46 16.54 37.87 92.04 74.81 -59.40 -45.11 1.66 0.00 98.34 0.31 0.13 1.01 97.77 0.78 0.00 0.00 0.00 28 P H H 63.83 6.27 24.61 31.04 91.68 50.30 -63.84 -40.89 0.61 0.00 99.39 0.07 0.03 0.43 98.83 0.64 0.00 0.00 0.00 29 K H H 87.64 5.87 26.24 32.53 91.64 49.61 -65.05 -41.31 0.12 0.00 99.88 0.01 0.01 0.08 99.62 0.29 0.00 0.00 0.00 30 A H H 2.48 23.88 20.10 44.19 91.37 50.63 -63.16 -43.65 0.10 0.00 99.90 0.01 0.00 0.05 99.87 0.05 0.00 0.00 0.00 31 V H H 14.72 20.63 22.44 42.30 91.28 50.46 -62.81 -42.99 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 32 K H H 108.81 3.67 27.46 30.99 91.50 50.40 -63.49 -42.06 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 33 E H H 46.84 11.60 24.28 36.25 91.74 49.33 -64.59 -42.38 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.00 0.00 0.00 0.00 34 I H H 1.54 27.22 19.80 47.57 91.29 49.76 -63.51 -43.82 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 35 K H H 69.19 15.68 22.98 37.25 91.36 51.08 -62.19 -42.64 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 36 K H H 114.78 2.63 26.76 28.58 91.27 49.74 -63.49 -42.50 0.12 0.00 99.88 0.00 0.00 0.08 99.90 0.00 0.00 0.00 0.00 37 F H H 28.73 13.82 21.87 36.39 91.87 48.21 -64.37 -43.10 0.20 0.00 99.80 0.01 0.01 0.15 99.81 0.02 0.00 0.00 0.00 38 A H H 2.66 23.68 15.45 39.74 91.63 50.36 -63.36 -43.18 0.30 0.00 99.70 0.03 0.02 0.20 99.71 0.04 0.00 0.00 0.00 39 T H H 61.37 9.06 19.03 28.59 92.30 48.67 -64.80 -41.43 0.42 0.00 99.58 0.02 0.02 0.34 99.56 0.06 0.00 0.00 0.00 40 L H H 114.06 2.27 20.60 22.41 93.67 44.87 -69.60 -40.70 1.31 0.00 98.68 0.03 0.05 1.27 98.54 0.11 0.00 0.00 0.00 41 H H H 81.42 11.35 17.68 29.06 99.25 35.98 -83.84 -37.50 6.89 0.01 93.10 0.07 0.28 6.86 92.53 0.23 0.01 0.00 0.00 42 M H H 40.75 16.26 14.42 30.66 100.83 25.84 -103.09 -12.10 18.16 0.13 81.71 1.00 3.99 13.23 81.20 0.37 0.08 0.03 0.10 43 G C C 52.02 2.40 21.06 23.15 95.09 -120.09 76.63 16.86 99.42 0.38 0.21 71.36 17.78 10.28 0.06 0.15 0.00 0.19 0.19 44 T C C 27.88 16.00 10.96 27.24 123.97 134.53 -111.18 145.10 97.34 2.35 0.30 89.96 6.71 0.66 0.08 0.22 0.00 1.05 1.33 45 T C S 107.15 2.69 19.37 22.96 97.68 -165.20 -91.40 -9.59 97.84 1.78 0.38 14.33 70.40 13.19 0.03 0.43 0.00 1.34 0.29 46 D C C 82.96 6.16 21.16 27.95 102.27 64.70 -93.47 31.44 84.01 15.55 0.44 33.55 33.33 16.88 0.03 0.59 0.00 15.07 0.54 47 V E E 11.68 24.34 11.69 35.70 118.80 129.22 -98.39 134.58 44.82 55.06 0.11 42.23 2.49 0.15 0.03 0.08 0.00 53.08 1.94 48 R E E 111.97 6.59 26.44 33.67 125.19 -165.89 -121.81 138.53 22.19 77.75 0.06 22.25 0.46 0.05 0.03 0.03 0.00 73.84 3.34 49 L E E 26.25 23.09 14.58 37.14 116.80 -135.83 -89.54 131.73 33.42 66.53 0.06 33.37 0.79 0.04 0.04 0.02 0.00 60.55 5.19 50 D C C 41.45 11.77 18.03 30.81 108.55 -119.16 -77.37 124.17 99.21 0.73 0.06 98.90 0.49 0.03 0.03 0.01 0.00 0.48 0.06 51 P H H 85.52 5.68 17.38 24.52 92.16 -139.57 -61.47 -33.26 8.14 0.02 91.84 0.79 0.69 6.42 90.49 1.60 0.01 0.01 0.01 52 K H H 129.37 2.53 20.74 22.98 91.64 54.54 -64.63 -39.21 3.04 0.01 96.96 0.24 0.22 2.49 95.59 1.44 0.01 0.00 0.00 53 L H H 13.05 19.85 16.09 36.02 92.36 49.55 -65.98 -41.96 0.62 0.00 99.37 0.10 0.06 0.39 98.44 1.00 0.00 0.00 0.00 54 N H H 30.20 18.38 17.54 35.38 91.65 52.41 -62.43 -42.41 0.41 0.00 99.59 0.06 0.03 0.25 99.33 0.33 0.00 0.00 0.00 55 I H H 88.48 3.20 23.45 25.74 91.74 49.87 -64.21 -41.81 0.38 0.00 99.62 0.03 0.02 0.29 99.47 0.19 0.00 0.00 0.00 56 A H H 27.49 7.40 20.36 29.38 91.55 50.29 -64.17 -41.98 0.55 0.00 99.45 0.03 0.03 0.46 99.21 0.27 0.00 0.00 0.00 57 I H H 6.16 22.93 14.38 37.51 91.78 49.61 -63.99 -42.84 1.36 0.01 98.64 0.10 0.10 1.10 97.92 0.77 0.00 0.00 0.00 58 W H H 100.62 12.39 16.80 29.26 92.09 50.08 -64.42 -39.39 2.81 0.01 97.18 0.24 0.18 2.26 94.80 2.50 0.01 0.01 0.00 59 K H H 152.85 1.32 19.24 19.50 91.76 52.48 -67.10 -33.69 11.59 0.03 88.38 0.41 0.58 10.83 85.88 2.24 0.03 0.01 0.02 60 R H H 124.71 5.68 15.97 22.64 96.19 44.79 -91.68 -8.70 47.36 0.17 52.47 1.22 3.58 41.76 50.41 2.71 0.11 0.06 0.15 61 G C T 24.34 6.94 18.31 26.70 123.80 -111.23 93.72 167.09 87.41 0.61 11.98 15.69 7.94 63.82 8.25 3.65 0.00 0.29 0.35 62 V C C 31.12 20.69 11.72 31.21 96.36 -68.92 -70.42 -23.83 62.87 3.93 33.20 31.51 11.55 20.72 8.05 23.92 0.08 1.74 2.42 63 Q C T 130.17 3.42 18.88 23.25 94.62 72.37 -67.96 -19.94 66.86 1.90 31.24 7.64 11.76 46.90 5.26 26.11 0.08 1.04 1.19 64 G C T 44.72 5.08 19.12 24.78 97.08 46.98 -88.96 -3.26 72.36 1.51 26.14 14.06 14.56 43.29 3.08 23.40 0.02 0.82 0.77 65 V C C 20.07 22.20 10.54 31.73 115.92 105.60 -87.10 134.17 91.54 4.70 3.76 74.15 15.04 2.20 1.77 2.02 0.00 2.41 2.41 66 E C C 86.42 8.55 21.01 29.80 108.53 -123.95 -75.41 129.48 89.36 7.32 3.31 72.26 12.90 3.99 0.98 2.50 0.00 5.79 1.58 67 N C S 63.90 14.05 18.15 31.54 106.25 -135.05 -97.17 -10.69 71.76 24.10 4.14 31.16 36.15 5.13 0.80 3.05 0.01 22.11 1.59 68 R E E 100.95 10.15 21.92 32.28 129.87 37.81 -126.04 141.91 32.07 64.88 3.05 27.32 3.50 1.46 0.91 1.85 0.00 64.02 0.94 69 M E E 13.78 23.34 16.18 39.44 126.29 -167.77 -123.54 138.76 11.66 87.65 0.69 10.68 0.92 0.28 0.30 0.33 0.00 87.03 0.46 70 R E E 93.10 9.32 25.06 34.80 119.10 -150.33 -107.03 129.84 5.33 94.45 0.22 4.96 0.31 0.09 0.09 0.08 0.00 94.28 0.19 71 L E E 9.64 24.26 16.56 40.90 125.11 -170.21 -120.25 135.71 4.52 95.38 0.10 4.37 0.20 0.04 0.04 0.03 0.00 95.19 0.13 72 R E E 92.11 8.63 25.53 34.55 120.11 -158.68 -109.98 130.09 5.67 94.25 0.08 5.43 0.24 0.05 0.03 0.03 0.00 94.06 0.16 73 I E E 14.24 23.09 16.01 39.13 120.68 -161.07 -109.26 130.73 13.62 86.03 0.35 12.68 0.75 0.19 0.14 0.13 0.00 85.76 0.35 74 S E E 33.76 9.37 22.26 32.38 129.02 -173.44 -123.24 150.10 19.06 80.28 0.65 16.89 1.86 0.52 0.27 0.30 0.00 79.42 0.74 75 R E E 91.33 14.03 15.37 29.34 120.10 -138.36 -105.70 136.15 30.65 68.46 0.89 26.45 3.55 0.84 0.39 0.49 0.00 66.85 1.42 76 K C E 95.16 8.44 14.51 24.18 118.28 -146.19 -98.17 137.00 51.04 47.81 1.14 44.96 4.09 1.16 0.48 0.69 0.00 46.33 2.28 77 R C C 139.67 5.43 12.69 19.76 112.81 -136.27 -89.00 131.06 67.97 29.16 2.87 50.56 12.82 4.67 1.04 1.97 0.01 25.36 3.57 78 N C C 82.64 6.72 9.90 18.14 114.28 -151.03 -98.19 128.62 84.91 11.34 3.75 59.22 17.46 8.29 1.18 2.62 0.00 8.71 2.51 79 D C C 106.80 2.95 10.44 14.88 103.34 -143.86 -85.52 10.58 87.91 3.89 8.20 38.48 31.69 18.45 2.36 5.43 0.01 2.25 1.34 80 E C S 127.27 3.02 9.14 13.73 106.04 92.73 -84.37 25.92 84.47 2.59 12.94 29.83 30.73 24.63 3.50 8.65 0.01 1.20 1.44 81 E C T 140.02 2.12 9.81 13.10 101.40 59.77 -79.09 -7.71 83.46 1.12 15.42 12.17 20.67 51.04 3.78 11.03 0.01 0.57 0.73 82 D C T 108.29 2.74 11.07 14.95 101.42 19.60 -74.19 30.09 85.17 1.63 13.20 20.23 19.42 46.12 3.48 9.07 0.01 0.87 0.80 83 A C C 49.73 8.52 8.15 17.90 113.53 145.01 -86.02 135.35 75.06 5.94 19.00 50.41 15.02 9.60 5.90 13.18 0.00 3.62 2.26 84 K C C 133.26 3.82 12.77 18.00 108.18 -144.60 -84.60 126.98 70.81 9.02 20.17 38.39 20.09 13.71 6.00 13.42 0.04 5.99 2.34 85 E C C 111.00 6.12 13.49 20.87 110.44 -111.00 -84.61 119.70 65.79 14.00 20.21 38.03 16.91 12.28 5.53 14.09 0.04 11.08 2.04 86 K C C 103.34 9.07 14.77 24.62 113.91 -139.66 -92.31 128.63 62.18 24.27 13.55 45.39 10.51 6.87 4.69 8.46 0.02 21.85 2.20 87 L C E 56.34 13.53 14.81 28.57 108.61 -148.60 -95.65 67.82 49.87 42.19 7.94 32.07 13.08 6.06 2.90 4.58 0.02 39.35 1.92 88 F E E 76.75 12.57 16.81 29.78 126.00 16.18 -123.15 144.38 26.41 70.71 2.87 20.93 4.91 1.86 1.34 1.46 0.00 67.81 1.70 89 A E E 31.62 14.13 17.14 31.73 128.68 -169.22 -126.38 147.47 17.02 81.59 1.38 13.12 3.43 0.99 0.54 0.61 0.00 80.75 0.57 90 Y E E 102.57 10.07 19.79 30.49 122.53 -144.51 -111.01 135.93 9.77 89.55 0.69 8.26 1.17 0.37 0.29 0.26 0.00 89.01 0.64 91 V E E 33.67 18.11 13.94 32.29 122.14 -162.01 -113.49 133.14 12.04 87.64 0.32 11.09 0.73 0.15 0.14 0.10 0.00 87.18 0.60 92 E E E 107.76 5.60 21.12 27.34 120.81 -143.38 -101.03 137.50 16.90 82.88 0.21 15.09 1.25 0.19 0.07 0.09 0.00 82.96 0.34 93 P E E 60.67 14.26 14.34 28.54 113.85 -109.18 -70.33 139.94 18.98 80.77 0.25 16.61 1.87 0.28 0.08 0.12 0.00 80.39 0.65 94 V E E 49.81 12.16 15.15 28.39 120.77 -157.96 -113.67 132.61 21.55 78.32 0.13 20.00 1.37 0.15 0.05 0.07 0.00 77.12 1.25 95 I E E 114.55 4.58 18.55 24.12 112.07 -128.93 -84.53 126.28 29.56 70.36 0.08 27.84 1.47 0.11 0.03 0.05 0.00 68.48 2.03 96 V C C 36.22 16.52 9.12 25.42 119.51 -170.20 -117.48 127.60 75.57 24.14 0.29 72.00 2.77 0.33 0.08 0.22 0.00 22.69 1.91 97 P C C 106.27 2.04 16.80 18.91 95.30 -152.20 -72.47 -29.53 93.17 5.53 1.30 42.76 39.95 10.65 0.15 1.34 0.00 4.46 0.69 98 S C S 66.35 3.83 17.48 22.16 127.89 11.26 -141.58 139.60 93.68 3.94 2.39 36.37 43.58 14.03 0.36 2.09 0.00 2.40 1.16 99 T C C 46.58 17.33 9.10 25.35 102.14 -163.37 -95.75 11.20 90.28 3.66 6.06 71.72 9.74 7.78 0.92 6.15 0.00 2.23 1.47 100 K C T 146.92 2.64 15.47 19.57 110.24 130.22 -73.68 130.15 89.55 4.65 5.80 12.22 14.00 62.76 0.81 5.43 0.01 3.10 1.68 101 G C T 51.65 3.44 16.50 20.42 97.10 17.31 83.91 -0.86 90.15 4.93 4.92 14.95 14.74 60.10 0.52 4.86 0.00 4.01 0.81 102 L C C 49.59 17.19 9.05 25.36 115.53 131.11 -81.56 136.44 82.13 16.18 1.69 74.52 5.67 1.59 0.34 1.36 0.00 14.93 1.59 103 Q C C 114.36 3.88 18.22 23.10 122.47 -164.79 -114.96 138.81 53.03 46.34 0.63 48.99 2.94 0.70 0.23 0.38 0.00 44.53 2.22 104 T E E 69.46 13.14 11.45 24.70 122.61 -149.29 -107.87 137.14 42.00 57.56 0.45 37.99 3.11 0.49 0.13 0.27 0.00 56.99 1.02 105 V E E 80.77 5.55 15.33 22.49 123.86 -168.59 -122.10 137.64 31.04 68.60 0.35 28.89 1.81 0.31 0.14 0.18 0.00 67.51 1.16 106 V E E 87.21 7.29 12.30 21.14 115.50 -136.68 -93.53 129.14 33.49 65.98 0.54 31.41 1.58 0.38 0.26 0.27 0.00 64.31 1.80 107 V C C 74.38 7.43 9.99 19.12 115.54 -160.94 -102.90 132.99 65.23 31.56 3.21 55.49 6.62 2.16 1.21 1.80 0.00 31.13 1.59 108 E C C 135.04 2.75 10.51 14.81 111.17 -143.34 -91.92 125.36 74.16 14.87 10.97 50.73 15.26 8.50 2.94 7.59 0.01 13.54 1.43 109 D C C 103.80 3.70 8.76 14.19 108.40 -144.72 -87.39 103.14 79.67 5.65 14.68 40.74 20.54 19.58 2.93 10.98 0.01 4.08 1.13 110 D C C 111.21 2.53 8.39 12.66 107.06 75.94 -90.48 69.88 86.36 2.73 10.91 67.56 3.98 15.96 2.63 7.12 0.00 2.01 0.74 111 E C C 136.12 3.00 10.26 14.95 107.35 139.82 -87.38 83.73 99.73 0.13 0.14 99.41 0.20 0.21 0.06 0.02 0.00 0.07 0.02