# 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 F C C 88.02 10.74 20.88 31.42 120.76 -159.53 -102.99 136.54 99.56 0.43 0.01 99.53 0.12 0.03 0.00 0.00 0.00 0.28 0.03 1 C C C 24.70 20.11 13.61 32.95 121.53 -150.92 -109.09 134.69 61.47 38.49 0.03 60.82 0.68 0.15 0.01 0.02 0.00 36.51 1.81 2 I E E 80.01 6.76 21.75 29.13 120.14 -164.81 -116.72 129.31 27.16 72.83 0.01 24.15 2.04 0.06 0.00 0.01 0.00 73.09 0.65 3 P E E 50.71 15.98 14.49 30.10 114.71 -114.98 -67.45 143.90 21.98 78.01 0.01 21.00 0.43 0.02 0.00 0.00 0.00 78.33 0.21 4 T E E 45.75 10.54 18.16 29.65 128.97 -169.76 -125.65 152.11 10.15 89.84 0.01 8.22 1.52 0.06 0.00 0.01 0.00 90.00 0.19 5 E E E 107.18 7.71 18.97 27.53 115.37 -119.15 -92.89 129.00 4.56 95.43 0.01 3.77 0.45 0.02 0.00 0.01 0.00 95.72 0.04 6 Y E E 36.14 16.96 14.89 32.36 130.30 171.34 -132.69 148.77 1.60 98.40 0.00 1.46 0.04 0.00 0.00 0.00 0.00 98.48 0.02 7 T E E 54.36 9.30 21.55 31.64 120.57 -140.28 -109.51 132.85 1.43 98.57 0.00 1.28 0.03 0.00 0.00 0.00 0.00 98.67 0.01 8 M E E 15.51 20.89 16.56 37.57 125.75 -170.72 -120.53 139.17 0.64 99.35 0.00 0.57 0.01 0.00 0.00 0.00 0.00 99.41 0.00 9 H E E 66.94 10.24 23.07 33.82 119.88 -146.95 -107.63 131.49 0.40 99.60 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.00 10 I E E 16.50 20.01 17.18 37.45 122.93 -170.46 -121.02 133.61 1.03 98.97 0.00 0.98 0.03 0.00 0.00 0.00 0.00 98.95 0.04 11 E E E 81.32 8.79 20.20 29.72 118.78 -152.29 -106.02 130.76 13.22 86.76 0.02 11.86 0.86 0.05 0.00 0.01 0.00 86.98 0.24 12 R C C 63.35 14.28 11.90 26.66 115.19 -152.95 -98.28 126.80 76.37 23.45 0.18 71.23 3.76 0.34 0.04 0.13 0.00 23.70 0.79 13 R C T 168.38 2.35 15.34 18.57 95.97 -127.27 -63.70 -31.67 91.65 1.55 6.80 2.68 14.74 72.63 0.21 8.30 0.00 1.12 0.33 14 E C T 145.88 1.84 14.82 16.72 95.90 41.31 -83.62 -0.33 92.39 0.94 6.67 2.36 12.63 75.63 0.20 8.26 0.00 0.65 0.26 15 C C C 31.05 15.15 7.77 22.29 126.80 78.90 -114.50 153.15 81.43 11.44 7.13 49.86 22.50 8.66 0.72 7.78 0.01 7.33 3.15 16 A C S 84.19 2.18 17.36 19.51 94.74 -136.32 -75.81 -13.81 93.44 6.26 0.30 8.00 73.89 11.46 0.02 0.31 0.00 5.84 0.48 17 Y C S 94.05 8.67 16.10 25.95 126.99 59.79 -118.11 150.18 71.39 28.41 0.20 14.75 48.10 7.26 0.01 0.23 0.00 28.89 0.75 18 C E E 45.77 14.15 15.64 30.05 123.25 -140.33 -108.40 140.20 40.24 59.73 0.02 37.19 1.56 0.09 0.00 0.02 0.00 60.86 0.28 19 L E E 27.70 15.73 18.19 34.74 123.99 -161.59 -118.54 137.25 1.04 98.96 0.00 1.04 0.03 0.00 0.00 0.00 0.00 98.89 0.04 20 T E E 58.12 10.71 21.86 32.85 119.64 -146.14 -102.76 132.26 0.19 99.81 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 21 I E E 14.25 21.26 16.35 37.85 124.08 -170.44 -122.74 135.32 0.31 99.69 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.72 0.00 22 N E E 73.12 8.14 24.40 32.89 115.47 -147.56 -99.05 124.65 1.26 98.74 0.00 1.11 0.03 0.00 0.00 0.00 0.00 98.84 0.01 23 T E E 10.29 22.46 16.55 38.90 128.49 -171.32 -124.50 144.10 5.15 94.84 0.00 4.74 0.17 0.01 0.00 0.00 0.00 94.98 0.08 24 T E E 37.19 11.39 25.11 37.10 120.63 -145.65 -106.81 135.96 8.53 91.46 0.02 6.34 2.00 0.10 0.00 0.01 0.00 91.35 0.20 25 I E E 22.90 20.44 19.92 39.87 121.97 -157.85 -112.56 133.89 11.72 88.22 0.07 9.91 1.56 0.18 0.02 0.05 0.00 87.45 0.83 26 C E E 21.00 15.36 19.59 35.55 119.90 -156.80 -109.30 131.66 27.18 72.67 0.14 24.36 1.90 0.29 0.04 0.10 0.00 71.23 2.06 27 A C T 47.72 12.32 19.27 31.46 110.35 -132.72 -77.18 128.12 66.84 30.53 2.63 9.90 18.03 41.30 0.31 2.32 0.04 24.80 3.29 28 G C T 42.28 6.47 20.68 27.50 101.69 10.91 83.34 -23.47 89.91 7.81 2.29 4.50 29.84 56.19 0.12 2.27 0.00 6.08 0.98 29 Y C S 99.12 11.06 19.74 30.51 114.68 39.84 -116.54 62.07 81.82 15.36 2.82 19.98 35.75 26.77 0.29 2.75 0.01 11.57 2.88 30 C C C 26.10 19.79 15.86 34.96 122.22 -43.51 -110.83 139.06 64.69 34.52 0.79 45.16 16.56 2.91 0.26 0.71 0.00 26.68 7.71 31 M C C 69.98 11.70 21.71 33.51 116.44 -146.27 -99.79 133.67 65.29 33.88 0.83 55.70 6.56 1.56 0.30 0.63 0.00 27.44 7.81 32 T C C 41.40 17.44 16.72 33.43 113.64 -154.40 -104.65 109.39 79.17 19.27 1.57 60.06 14.57 3.89 0.43 1.33 0.00 15.61 4.10 33 R C C 114.56 8.63 20.03 29.13 121.90 65.13 -110.18 133.55 82.46 15.58 1.95 55.99 21.90 4.44 0.65 1.48 0.00 9.63 5.92 34 D C C 39.95 15.39 12.73 28.34 111.70 -150.21 -96.55 117.57 92.47 6.19 1.34 84.88 6.00 1.58 0.60 0.67 0.00 4.00 2.26 35 I C C 102.43 5.56 16.46 23.27 97.86 -163.77 -78.49 -21.63 81.67 4.06 14.27 35.61 19.04 27.94 6.51 6.84 0.02 2.03 2.01 36 N C T 83.31 6.02 14.99 22.15 98.17 58.46 -85.93 -2.95 76.80 3.02 20.18 19.81 20.07 37.47 9.45 9.71 0.09 1.35 2.04 37 G C C 23.95 11.95 12.50 25.11 97.42 61.32 3.59 -3.82 60.71 1.50 37.79 31.13 11.17 18.89 14.71 22.40 0.01 0.68 1.01 38 K H G 105.58 9.25 12.42 22.68 94.53 99.11 -66.30 -30.01 26.05 0.63 73.32 6.41 3.95 15.22 17.28 56.53 0.01 0.39 0.20 39 L H G 125.82 1.96 15.84 18.09 92.90 61.57 -72.21 -19.64 28.06 0.56 71.38 3.41 3.66 19.86 16.77 55.72 0.02 0.34 0.21 40 F H G 113.16 6.68 13.94 21.68 99.46 49.45 -93.91 -12.19 37.34 0.84 61.82 5.12 6.66 25.15 14.87 47.26 0.05 0.47 0.41 41 L C S 41.75 16.08 8.70 24.24 118.89 82.25 -100.09 134.25 94.29 1.39 4.32 19.68 72.55 2.00 3.48 0.68 0.00 0.38 1.21 42 P C C 67.98 4.52 14.79 20.72 113.38 -110.02 -66.08 147.52 86.24 0.92 12.84 73.77 5.47 6.97 5.73 7.01 0.00 0.45 0.60 43 K C T 140.50 4.68 12.47 19.12 94.92 -116.60 -62.91 -31.11 58.74 1.35 39.91 18.21 14.18 27.01 13.14 25.86 0.04 0.63 0.93 44 Y C G 151.22 3.66 13.70 18.72 95.51 60.55 -73.35 -19.94 50.47 1.74 47.79 16.73 10.74 23.81 14.47 32.38 0.05 0.90 0.93 45 A H G 54.01 8.51 14.10 23.73 95.59 64.77 -75.73 -20.30 46.38 2.15 51.47 19.26 10.27 17.71 13.81 36.91 0.02 1.22 0.79 46 L C G 57.31 14.13 14.23 28.24 100.07 55.48 -90.65 4.47 51.47 5.90 42.62 24.79 10.83 17.61 10.67 30.58 0.06 3.87 1.58 47 S C C 51.81 10.66 17.90 29.03 116.29 102.42 -94.71 131.94 64.29 14.49 21.22 42.86 12.84 8.61 8.11 13.47 0.05 9.11 4.96 48 Q C C 47.02 15.87 15.96 31.88 122.06 -164.63 -112.71 137.89 75.25 18.43 6.32 59.08 11.19 4.62 3.15 3.35 0.01 14.19 4.40 49 D C C 78.20 9.67 22.05 31.90 103.39 -149.69 -94.86 14.83 73.67 23.57 2.77 40.37 28.51 5.31 0.97 1.85 0.02 19.67 3.31 50 V E E 32.86 15.45 20.89 36.39 132.14 71.73 -128.90 150.76 49.01 49.17 1.83 32.15 14.48 3.64 0.74 1.33 0.02 40.73 6.91 51 C E E 15.08 21.47 18.50 40.02 115.52 -125.99 -91.17 132.09 44.54 54.73 0.73 35.17 7.14 1.69 0.26 0.58 0.00 49.42 5.74 52 T E E 38.19 12.74 23.25 36.29 114.48 -170.18 -110.32 118.20 43.73 55.91 0.36 31.92 10.83 1.35 0.11 0.32 0.00 50.97 4.50 53 Y E E 42.19 19.52 15.06 33.99 117.36 -156.30 -96.96 135.24 45.26 54.20 0.54 35.91 7.85 1.28 0.17 0.45 0.00 51.29 3.04 54 R C E 143.68 5.02 19.46 25.43 99.20 -164.87 -86.87 -25.63 54.89 44.89 0.22 19.01 32.07 2.78 0.01 0.22 0.00 45.45 0.45 55 D E E 77.05 4.21 21.74 26.11 131.30 15.71 -138.64 152.02 26.99 72.78 0.23 17.80 7.38 1.33 0.02 0.21 0.00 72.98 0.26 56 F E E 58.18 20.37 12.42 31.63 123.29 -157.80 -117.31 133.48 5.89 94.09 0.01 5.47 0.23 0.01 0.00 0.01 0.00 94.18 0.10 57 I E E 62.47 7.51 21.20 29.90 122.10 -166.47 -119.78 132.91 0.79 99.21 0.00 0.71 0.03 0.00 0.00 0.00 0.00 99.25 0.01 58 Y E E 90.48 15.31 15.11 30.19 119.39 -150.75 -101.79 132.61 0.76 99.24 0.00 0.66 0.02 0.00 0.00 0.00 0.00 99.31 0.00 59 R E E 83.22 9.96 18.81 29.73 127.64 -175.33 -127.70 141.52 0.82 99.18 0.00 0.72 0.02 0.00 0.00 0.00 0.00 99.25 0.00 60 T E E 61.24 12.70 17.20 30.19 123.63 -155.95 -115.22 136.97 0.52 99.48 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.50 0.00 61 V E E 25.69 15.13 17.07 33.30 127.30 -172.01 -128.13 140.18 0.34 99.66 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.68 0.00 62 E E E 101.03 7.35 21.42 29.54 115.60 -141.39 -99.11 126.30 0.68 99.32 0.00 0.65 0.02 0.00 0.00 0.00 0.00 99.28 0.05 63 I C C 14.24 21.02 12.08 33.29 111.35 -157.70 -106.09 113.74 56.99 43.00 0.01 55.71 0.69 0.03 0.00 0.01 0.00 43.19 0.38 64 P C T 78.70 4.93 18.78 24.53 113.97 -134.38 -67.34 144.49 89.44 10.29 0.27 5.56 8.92 75.15 0.01 0.30 0.00 9.76 0.30 65 G C T 57.47 1.93 18.35 20.14 95.09 20.06 80.71 1.62 97.65 2.17 0.18 4.24 14.58 78.56 0.01 0.25 0.00 2.24 0.12 66 C C C 23.35 19.25 7.31 24.82 121.40 130.82 -88.87 147.07 92.93 6.98 0.09 67.57 25.49 0.29 0.02 0.07 0.00 3.69 2.86 67 P C C 67.18 3.83 15.87 20.62 115.51 -102.82 -65.70 154.31 97.63 2.31 0.06 96.01 1.53 0.27 0.02 0.03 0.00 0.82 1.32 68 L C T 132.40 2.54 12.69 16.78 101.77 -93.68 -61.42 96.94 99.37 0.23 0.41 0.90 9.90 88.55 0.02 0.41 0.00 0.12 0.10 69 H C T 158.15 1.64 14.90 16.72 94.77 27.66 4.13 7.08 99.41 0.20 0.39 1.45 10.13 87.76 0.02 0.46 0.00 0.13 0.06 70 V C C 49.46 12.27 10.52 23.63 123.21 99.16 -109.52 144.50 81.90 17.41 0.69 45.03 33.81 2.56 0.20 0.52 0.00 5.34 12.54 71 A C C 52.06 6.96 16.51 24.70 113.55 -117.58 -79.31 131.25 92.96 6.93 0.11 89.98 3.27 0.26 0.01 0.11 0.00 5.73 0.64 72 P C S 59.92 12.22 14.83 27.65 94.32 -140.09 -69.00 -21.18 89.26 10.37 0.36 23.16 54.53 11.20 0.01 0.55 0.00 10.18 0.36 73 Y E E 99.67 10.34 18.90 29.77 126.52 43.64 -125.89 135.81 22.04 77.60 0.36 9.33 6.46 6.40 0.02 0.44 0.00 77.09 0.27 74 F E E 38.23 16.65 17.45 34.40 129.69 -174.00 -129.02 144.85 4.13 95.86 0.02 3.60 0.37 0.03 0.00 0.01 0.00 95.90 0.09 75 S E E 39.64 13.27 21.77 34.98 125.45 -153.26 -115.86 139.22 0.57 99.43 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.43 0.03 76 Y E E 26.44 19.93 20.21 39.66 126.96 -173.44 -131.22 135.59 2.39 97.61 0.00 2.19 0.04 0.00 0.00 0.00 0.00 97.75 0.02 77 P E E 27.21 15.83 24.13 39.76 113.97 -112.53 -70.23 142.03 3.91 96.09 0.00 3.44 0.18 0.00 0.00 0.00 0.00 96.33 0.05 78 V E E 16.98 20.03 22.93 42.24 127.12 -168.36 -124.11 140.02 0.96 99.04 0.00 0.89 0.04 0.00 0.00 0.00 0.00 98.97 0.09 79 A E E 7.31 22.50 18.57 41.63 109.52 -113.16 -73.95 126.86 2.09 97.90 0.01 2.06 0.05 0.00 0.00 0.00 0.00 97.61 0.27 80 L E E 64.45 10.42 23.38 34.08 100.58 176.83 -96.21 -29.11 20.47 79.40 0.14 8.97 9.60 2.54 0.01 0.14 0.00 78.39 0.35 81 S E E 51.19 6.19 25.80 32.86 138.57 -0.03 -154.04 150.99 34.72 65.18 0.09 10.08 21.99 2.93 0.01 0.10 0.00 64.40 0.48 82 C E E 19.68 23.59 12.87 35.47 128.38 -165.75 -130.63 143.91 46.57 53.30 0.12 41.86 3.59 0.28 0.03 0.11 0.00 51.75 2.37 83 K C C 102.65 5.86 24.72 30.94 126.15 -174.45 -131.32 138.18 52.02 47.48 0.50 43.69 5.59 1.16 0.18 0.42 0.00 36.30 12.66 84 C C C 48.26 15.51 14.97 29.77 108.99 -95.46 -82.35 125.69 73.60 23.24 3.16 30.80 28.04 16.38 0.26 3.41 0.01 17.41 3.69 85 G C S 43.80 5.46 19.84 25.66 111.68 27.79 83.44 -126.43 86.02 11.91 2.07 10.95 55.25 19.55 0.10 2.29 0.00 10.45 1.40 86 K C C 124.91 5.15 20.33 26.14 112.21 17.92 -104.78 102.83 77.28 20.96 1.76 43.26 25.22 8.48 0.23 2.06 0.00 15.96 4.78 87 C C C 21.50 20.98 11.42 31.30 123.16 102.80 -103.63 140.80 69.74 30.01 0.25 63.21 5.82 0.39 0.10 0.16 0.00 14.57 15.75 88 N C C 66.76 6.32 22.23 29.04 112.78 -139.51 -104.65 124.81 87.57 12.35 0.08 87.09 1.37 0.19 0.03 0.04 0.00 5.94 5.33 89 T C T 50.88 16.95 12.79 29.48 93.35 -148.97 -72.55 -12.78 99.30 0.32 0.38 3.50 8.64 87.16 0.04 0.34 0.00 0.19 0.13 90 D C T 112.31 2.09 18.69 20.64 94.70 60.74 -87.12 -6.06 99.48 0.16 0.36 2.80 9.56 87.10 0.04 0.35 0.00 0.10 0.05 91 Y C S 90.62 9.13 13.89 24.32 123.50 76.70 -104.64 147.89 94.63 3.88 1.50 38.13 52.63 3.50 0.60 0.76 0.00 1.23 3.16 92 S C S 64.98 8.65 16.88 26.28 97.41 -140.90 -80.40 -15.37 79.62 2.49 17.89 25.74 33.45 21.41 10.92 5.96 0.03 1.18 1.32 93 D C C 68.33 8.24 19.86 28.62 107.46 72.31 -90.37 85.56 64.97 7.66 27.37 23.13 22.01 21.30 17.96 8.04 0.38 4.03 3.16 94 C C C 18.16 19.71 14.30 33.55 102.02 106.89 -79.89 21.47 52.49 16.29 31.22 34.53 9.74 8.76 23.47 7.24 0.26 10.27 5.73 95 I C H 64.91 10.85 19.34 30.43 98.90 102.24 -82.95 -24.04 39.80 22.11 38.10 26.69 8.03 6.41 31.74 5.62 0.23 16.13 5.15 96 H H H 88.55 8.64 18.00 27.18 97.81 55.29 -77.10 -29.58 35.20 22.15 42.65 22.27 7.39 7.13 34.78 6.49 0.32 17.91 3.71 97 E H H 87.63 8.84 16.46 25.93 97.96 54.64 -74.19 -31.57 36.37 16.80 46.84 21.58 7.15 8.93 36.97 8.43 0.28 13.95 2.73 98 A H H 42.58 11.58 13.27 25.41 97.49 56.07 -72.37 -29.50 42.16 10.44 47.40 20.28 8.91 14.46 35.67 10.25 0.38 7.79 2.24 99 I C H 93.03 7.08 14.16 22.25 98.33 50.43 -79.41 -23.59 50.62 7.24 42.14 16.92 12.82 22.19 30.64 10.03 0.63 4.53 2.25 100 K C T 139.37 3.28 15.71 19.85 100.41 32.69 -80.52 7.04 65.49 4.79 29.71 16.86 17.24 32.26 19.65 9.02 0.31 2.68 1.98 101 T C T 67.11 8.37 14.05 23.25 105.88 41.54 -93.17 59.44 78.21 4.31 17.48 22.88 18.04 38.38 8.97 7.55 0.05 2.56 1.57 102 N C C 79.43 10.84 15.89 27.00 100.95 -124.96 -89.80 34.70 80.70 11.22 8.08 37.94 19.87 24.36 2.17 5.43 0.02 8.05 2.16 103 Y C C 91.06 10.79 18.92 30.16 123.25 114.25 -114.35 142.54 67.46 27.78 4.76 46.28 13.00 7.41 1.76 3.36 0.02 20.71 7.46 104 C C C 24.23 19.48 13.80 32.59 116.62 -143.27 -97.51 132.91 66.79 31.31 1.90 53.06 9.19 2.85 0.88 1.26 0.01 22.52 10.24 105 T C C 67.34 8.80 19.58 28.80 113.29 -159.86 -99.34 125.41 76.20 23.00 0.81 54.28 19.86 1.95 0.34 0.60 0.00 16.58 6.39 106 K C C 113.32 7.19 16.72 25.04 118.73 -110.73 -99.83 136.81 87.05 12.83 0.12 59.63 27.71 0.60 0.03 0.10 0.00 10.46 1.48 107 P C C 65.49 10.69 12.86 24.39 114.12 -106.57 -65.90 148.91 87.91 11.50 0.59 79.62 6.27 1.79 0.17 0.45 0.00 9.42 2.28 108 Q C C 111.29 6.84 11.33 19.69 112.21 -124.00 -85.20 130.80 82.49 16.26 1.26 68.36 9.92 3.38 0.38 1.04 0.00 10.26 6.67 109 K C C 131.89 4.14 10.97 17.01 117.74 -123.41 -101.03 135.84 85.08 13.93 0.99 65.11 16.27 3.29 0.24 0.94 0.00 11.66 2.50 110 S C C 85.04 2.88 10.03 14.79 111.20 -116.13 -79.32 133.38 87.50 11.29 1.20 82.97 1.67 3.21 0.31 0.70 0.00 8.41 2.72 111 Y C C 143.80 6.16 10.21 17.75 105.83 -135.54 -88.32 38.25 99.89 0.10 0.01 99.83 0.07 0.04 0.00 0.00 0.00 0.05 0.01