# 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 108.70 7.03 13.62 21.98 116.04 -161.89 -98.76 127.83 99.59 0.41 0.00 99.62 0.11 0.02 0.00 0.00 0.00 0.22 0.03 1 L C C 97.35 6.34 11.17 19.20 117.96 -148.85 -97.60 133.76 92.06 7.61 0.32 90.83 1.21 0.47 0.15 0.11 0.00 5.89 1.34 2 P C C 86.24 5.37 11.36 18.46 113.20 -112.06 -70.18 146.44 85.58 12.50 1.92 68.24 11.53 5.36 0.58 1.34 0.00 10.77 2.18 3 M C C 119.13 5.73 10.30 17.69 114.33 -128.95 -91.35 129.72 75.01 21.49 3.50 56.75 11.82 5.53 1.30 2.46 0.01 15.20 6.94 4 V C C 103.11 4.74 11.44 17.81 114.31 -144.09 -93.86 130.56 75.31 18.50 6.19 44.76 14.04 17.32 1.79 4.19 0.02 14.55 3.34 5 G C C 46.28 5.46 11.31 18.27 117.52 -147.89 -110.72 163.10 80.48 12.58 6.95 40.00 19.63 22.17 1.77 4.78 0.02 9.44 2.20 6 A C C 78.25 4.81 12.11 18.30 111.18 -116.42 -91.87 122.01 78.15 12.03 9.82 40.62 20.95 17.89 3.23 6.10 0.03 8.86 2.32 7 G C C 46.03 5.28 12.76 19.36 114.60 -128.85 115.80 162.84 71.88 17.87 10.25 37.38 22.58 13.43 4.10 5.53 0.06 14.61 2.31 8 I C C 101.41 6.43 12.01 19.92 116.07 -118.99 -95.45 131.16 58.73 29.49 11.78 44.71 8.81 4.71 7.06 4.71 0.05 26.97 2.99 9 I C E 91.21 7.80 11.89 21.16 115.48 -153.31 -97.97 128.43 47.10 40.72 12.18 36.41 6.28 3.72 8.75 4.03 0.07 36.65 4.10 10 R C C 131.47 6.24 12.13 19.93 115.33 -157.80 -101.90 128.94 48.76 39.56 11.68 37.90 6.11 3.87 8.47 3.70 0.06 36.30 3.58 11 K C C 121.34 5.60 11.48 18.62 112.12 -153.27 -92.93 128.45 59.75 28.47 11.78 39.08 11.75 8.78 7.60 4.15 0.11 25.93 2.60 12 N C C 103.97 4.15 12.38 17.89 106.78 -153.56 -90.90 73.35 76.28 13.55 10.17 47.21 15.47 13.57 5.99 4.12 0.03 11.77 1.83 13 Y C C 128.07 7.25 10.73 19.18 105.95 97.32 -87.15 30.03 75.00 6.58 18.42 29.06 18.25 28.81 9.34 8.23 0.06 4.66 1.59 14 K C T 138.24 3.97 13.87 19.12 99.11 61.92 -77.48 -7.50 76.79 4.63 18.58 24.34 19.27 34.40 8.26 9.21 0.05 3.13 1.34 15 A C C 57.25 7.17 14.17 22.47 110.41 61.67 -92.54 81.01 71.14 10.41 18.45 27.51 19.94 25.41 7.38 9.87 0.15 7.66 2.09 16 F C C 91.09 10.66 15.95 27.05 111.69 48.95 -92.86 111.58 63.67 23.99 12.35 36.23 14.10 14.60 5.26 6.50 0.12 20.67 2.51 17 I C C 43.75 15.90 16.24 32.07 115.33 -159.33 -101.55 126.79 56.96 36.67 6.37 42.01 9.55 5.18 3.08 2.96 0.01 35.44 1.77 18 M E E 59.13 12.43 21.88 34.30 110.06 -172.93 -99.96 68.48 42.96 54.44 2.60 33.26 6.63 2.34 1.06 1.17 0.00 54.67 0.87 19 V E E 11.82 22.10 18.44 40.39 124.70 81.08 -117.55 135.42 12.24 87.48 0.28 10.72 0.98 0.19 0.12 0.11 0.00 87.53 0.35 20 V E E 29.32 13.01 25.29 38.99 120.72 -163.41 -114.49 131.32 3.08 96.90 0.03 2.70 0.17 0.02 0.01 0.01 0.00 97.02 0.06 21 I E E 9.50 23.84 19.91 43.75 119.79 -160.92 -111.05 128.40 1.00 98.99 0.01 0.88 0.04 0.00 0.00 0.00 0.00 99.06 0.01 22 R E E 66.77 12.18 26.20 38.47 124.43 -172.03 -117.86 135.79 0.71 99.28 0.01 0.61 0.03 0.00 0.00 0.00 0.00 99.34 0.01 23 L E E 18.30 22.21 19.33 41.07 121.51 -156.79 -109.16 134.18 0.87 99.12 0.01 0.78 0.03 0.00 0.00 0.00 0.00 99.17 0.01 24 A E E 25.84 12.35 22.86 35.82 130.51 -174.55 -129.52 150.78 0.84 99.15 0.01 0.74 0.04 0.00 0.00 0.00 0.00 99.19 0.02 25 R E E 103.92 13.29 18.41 31.35 118.51 -127.05 -94.84 136.95 3.09 96.88 0.03 2.74 0.17 0.03 0.01 0.01 0.00 96.91 0.13 26 G E E 22.90 11.02 17.11 28.91 136.07 166.54 -146.78 175.40 23.96 75.94 0.10 20.47 2.50 0.34 0.02 0.07 0.00 76.15 0.45 27 G E E 35.63 5.23 15.27 22.12 131.41 50.44 126.16 -173.72 46.63 53.18 0.19 31.89 14.26 1.57 0.03 0.20 0.00 50.82 1.24 28 A C C 66.16 4.49 12.87 18.93 123.60 -65.70 -110.47 156.07 63.37 35.95 0.68 44.49 17.09 2.84 0.17 0.65 0.00 29.98 4.77 29 K C T 161.47 1.88 11.55 14.54 101.78 -76.57 -61.69 -21.55 97.80 1.03 1.18 3.16 47.02 47.76 0.05 1.12 0.00 0.67 0.21 30 K C T 176.71 0.76 13.37 13.19 96.60 5.18 -61.31 -0.48 98.14 0.65 1.21 3.19 47.28 47.70 0.04 1.22 0.00 0.43 0.14 31 R C S 121.40 5.28 13.15 20.03 114.43 53.75 -122.43 102.89 69.63 30.02 0.35 19.96 47.78 2.56 0.04 0.36 0.00 27.41 1.89 32 P C C 44.73 12.13 14.05 27.40 114.59 -142.44 -70.34 141.95 58.71 41.23 0.05 53.73 2.19 0.24 0.01 0.04 0.00 43.41 0.37 33 F E E 43.91 12.95 19.15 33.22 130.00 -173.93 -127.63 148.31 5.04 94.96 0.00 4.35 0.38 0.02 0.00 0.00 0.00 95.09 0.17 34 Y E E 32.27 19.22 19.35 38.17 125.82 -156.28 -118.99 140.96 0.56 99.44 0.00 0.48 0.02 0.00 0.00 0.00 0.00 99.50 0.01 35 Q E E 32.16 15.56 24.89 40.21 130.33 -171.10 -127.82 146.65 0.19 99.81 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 36 I E E 7.67 23.63 21.93 45.59 118.61 -145.01 -106.51 128.96 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 37 V E E 12.14 18.59 25.94 44.25 127.05 -171.30 -122.72 141.38 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 38 V E E 9.22 22.11 24.21 45.95 118.32 -151.27 -107.53 128.15 0.29 99.71 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 39 T E E 12.12 16.99 21.41 38.93 135.24 173.65 -136.93 157.68 3.34 96.66 0.00 3.08 0.10 0.00 0.00 0.00 0.00 96.68 0.13 40 D E E 32.16 11.45 19.88 32.50 113.34 -104.50 -73.75 142.63 23.26 76.62 0.12 21.39 1.61 0.16 0.03 0.07 0.00 75.91 0.83 41 S C T 50.63 11.92 15.44 28.16 92.07 -125.72 -64.38 -26.90 73.10 1.01 25.89 2.69 15.37 55.74 2.65 22.39 0.02 0.67 0.47 42 R C T 168.56 1.69 18.04 19.22 94.10 58.84 -77.59 -23.10 71.22 0.57 28.20 2.52 14.89 54.03 3.28 24.55 0.03 0.31 0.40 43 N C S 64.61 7.92 13.33 22.72 108.70 34.57 -121.02 72.18 66.22 5.83 27.94 23.37 25.99 17.84 4.34 22.65 0.03 2.82 2.97 44 A C C 40.25 14.48 11.08 25.55 94.99 164.46 -63.51 -32.47 75.01 2.93 22.07 50.82 7.21 16.28 5.38 17.19 0.00 1.58 1.53 45 R C T 151.15 4.61 16.01 21.92 93.51 55.98 -68.69 -28.94 72.04 1.14 26.82 6.64 10.60 53.58 3.29 24.49 0.02 0.64 0.74 46 D C T 98.75 3.05 17.69 20.95 97.03 44.08 -93.05 -0.46 74.16 0.71 25.13 4.10 10.13 59.07 2.61 23.20 0.01 0.41 0.45 47 G C C 23.45 15.25 13.27 28.07 98.31 -110.22 81.24 8.16 86.42 2.63 10.94 38.75 28.45 18.80 1.18 10.39 0.00 1.48 0.95 48 R C C 113.50 6.07 20.71 27.56 114.66 146.96 -82.71 133.55 86.33 12.36 1.31 70.88 12.52 2.56 0.37 1.06 0.00 10.16 2.45 49 F E E 71.06 16.96 15.17 31.49 111.66 -125.25 -77.71 126.46 36.04 63.63 0.33 33.92 1.48 0.27 0.12 0.21 0.00 60.60 3.39 50 I E E 60.02 12.42 19.13 31.90 101.18 177.28 -95.20 -33.47 28.27 71.22 0.50 14.91 12.53 0.68 0.05 0.31 0.00 71.31 0.21 51 E E E 69.60 9.39 22.43 32.21 140.01 -3.50 -153.08 151.37 2.54 97.19 0.26 2.02 0.37 0.08 0.04 0.16 0.00 97.28 0.04 52 R E E 109.04 13.69 19.32 32.40 112.00 -126.51 -86.08 122.12 0.98 98.89 0.13 1.04 0.04 0.01 0.04 0.05 0.00 98.75 0.05 53 I E E 21.90 18.91 18.71 37.86 100.81 175.81 -100.40 -23.51 2.73 97.24 0.03 2.13 0.48 0.07 0.01 0.02 0.00 97.26 0.03 54 G E E 7.64 13.09 22.35 36.64 144.01 -45.88 161.45 178.17 2.53 97.45 0.02 1.82 0.56 0.08 0.00 0.01 0.00 97.49 0.03 55 F E E 61.60 14.42 22.22 36.65 133.49 -92.91 -136.72 150.19 2.38 97.60 0.02 2.20 0.16 0.02 0.00 0.01 0.00 97.48 0.12 56 F E E 32.75 18.45 18.67 37.24 119.62 -145.46 -110.63 132.27 7.44 92.52 0.05 6.67 0.63 0.05 0.03 0.03 0.00 90.44 2.14 57 N C C 39.61 11.02 19.77 32.12 111.76 -165.10 -118.13 106.66 80.81 18.85 0.34 77.68 2.22 0.24 0.15 0.15 0.00 19.00 0.55 58 P C C 44.60 12.28 15.67 29.24 95.04 -171.12 -68.24 -23.44 60.93 9.97 29.10 27.79 11.87 22.87 11.42 16.53 0.10 7.60 1.82 59 T C T 74.53 5.81 16.05 22.73 101.53 55.89 -90.01 -3.14 55.50 8.55 35.94 19.03 14.64 23.60 14.48 19.78 0.36 5.12 2.98 60 A C G 51.77 8.68 10.19 20.07 105.09 82.87 -79.94 51.85 51.95 6.90 41.15 20.01 14.62 19.62 13.68 25.09 0.28 3.96 2.75 61 Q C T 135.90 2.43 12.09 15.71 104.06 22.58 -76.64 75.39 71.54 1.39 27.07 9.78 14.91 46.39 10.07 17.08 0.06 0.75 0.97 62 G C T 61.96 1.29 12.44 13.96 98.53 -47.55 78.20 1.92 85.41 0.82 13.77 11.78 19.33 54.55 4.22 9.13 0.00 0.41 0.57 63 Q C C 105.02 5.47 10.23 17.42 114.89 109.60 -98.33 123.21 77.57 6.61 15.81 43.54 19.40 14.97 4.63 10.92 0.01 3.68 2.84 64 A C C 73.25 5.06 12.24 18.79 104.25 -147.04 -77.58 6.92 71.71 9.64 18.66 43.23 16.48 12.69 4.14 14.45 0.01 6.91 2.09 65 E C C 103.68 7.03 14.01 22.25 113.31 131.46 -90.99 124.73 70.07 13.61 16.32 49.17 12.19 8.99 3.28 12.89 0.00 12.07 1.41 66 K C C 107.97 8.33 16.18 25.50 116.78 -142.04 -100.99 131.15 60.45 32.01 7.54 47.52 8.84 4.06 2.64 4.95 0.01 29.72 2.26 67 L E E 34.38 18.09 13.76 31.61 122.21 -157.94 -110.27 138.16 34.99 63.53 1.48 31.12 2.84 0.68 1.04 0.59 0.00 61.70 2.03 68 R E E 129.95 6.31 22.39 30.05 122.72 -160.85 -116.04 136.52 15.96 83.48 0.56 14.21 1.16 0.24 0.51 0.19 0.00 78.95 4.74 69 L E E 20.36 22.82 12.29 34.63 117.27 -141.90 -91.91 134.38 30.13 69.59 0.28 28.83 1.02 0.11 0.24 0.09 0.00 64.83 4.88 70 D C C 65.67 6.51 20.62 28.02 105.88 -129.69 -86.71 107.56 80.68 19.02 0.29 80.52 0.74 0.09 0.21 0.05 0.00 17.77 0.62 71 A H H 46.49 13.22 13.94 27.72 93.68 -166.13 -64.15 -35.08 1.87 0.01 98.13 0.54 0.19 0.88 97.90 0.48 0.00 0.00 0.00 72 D H H 109.42 1.21 20.53 20.05 91.55 55.25 -64.16 -39.49 0.65 0.00 99.35 0.09 0.04 0.43 98.97 0.47 0.00 0.00 0.00 73 R H H 79.28 10.52 18.18 29.33 92.10 49.03 -66.08 -40.39 0.29 0.00 99.71 0.05 0.02 0.17 99.33 0.43 0.00 0.00 0.00 74 F H H 11.49 22.90 13.64 36.43 91.55 51.37 -63.58 -42.61 0.15 0.00 99.85 0.02 0.01 0.08 99.80 0.08 0.00 0.00 0.00 75 A H H 51.78 5.44 20.85 26.74 91.39 51.76 -62.61 -41.68 0.20 0.00 99.80 0.02 0.01 0.13 99.79 0.06 0.00 0.00 0.00 76 H H H 99.23 2.90 21.52 23.78 91.62 49.99 -64.22 -42.18 0.36 0.00 99.64 0.02 0.01 0.28 99.58 0.10 0.00 0.00 0.00 77 W H H 22.86 17.92 15.30 33.70 92.05 49.65 -64.57 -42.74 0.75 0.00 99.25 0.07 0.04 0.54 99.05 0.29 0.00 0.00 0.00 78 V H H 44.75 15.30 14.84 29.98 91.82 49.84 -64.06 -40.23 1.79 0.01 98.21 0.12 0.09 1.49 97.60 0.69 0.00 0.00 0.00 79 S H H 90.66 1.30 18.01 18.75 89.99 56.11 -66.47 -23.85 12.35 0.02 87.63 0.35 0.44 11.86 86.50 0.81 0.02 0.01 0.01 80 Q C T 108.46 4.59 15.31 21.12 93.36 55.22 -87.89 0.10 84.59 0.04 15.37 0.34 1.53 82.06 15.34 0.68 0.00 0.01 0.03 81 G C T 48.98 3.07 19.27 22.56 100.24 -96.10 94.21 7.57 97.70 0.03 2.27 2.08 2.00 93.11 2.66 0.12 0.00 0.01 0.01 82 A C C 15.95 20.98 9.73 29.84 117.28 154.07 -73.44 143.66 97.78 2.14 0.08 96.66 1.23 0.16 0.03 0.02 0.00 1.50 0.40 83 Q C C 123.67 2.70 24.08 26.88 118.36 -144.26 -107.12 132.26 83.22 16.75 0.03 82.85 1.44 0.07 0.01 0.01 0.00 14.05 1.56 84 P C C 42.96 20.52 12.70 31.87 115.86 -116.49 -69.30 144.94 77.89 22.06 0.06 79.03 0.88 0.05 0.03 0.02 0.00 14.59 5.40 85 S C C 32.77 10.49 15.53 27.31 121.67 -123.33 -78.23 164.87 97.22 2.67 0.11 97.11 0.58 0.04 0.07 0.02 0.00 1.41 0.78 86 E H H 154.35 1.27 17.95 18.75 90.89 -105.22 -60.27 -35.27 1.28 0.00 98.72 0.17 0.20 0.73 98.70 0.20 0.00 0.00 0.00 87 R H H 116.39 6.30 19.12 26.22 91.90 52.92 -64.50 -40.91 0.61 0.00 99.39 0.07 0.04 0.39 99.30 0.20 0.00 0.00 0.00 88 V H H 7.29 23.36 14.43 37.79 91.85 47.32 -65.36 -42.08 0.17 0.00 99.83 0.02 0.01 0.10 99.76 0.11 0.00 0.00 0.00 89 A H H 36.35 10.71 19.00 30.52 91.20 52.41 -62.27 -42.10 0.06 0.00 99.94 0.01 0.00 0.03 99.94 0.02 0.00 0.00 0.00 90 S H H 63.76 2.08 24.32 24.54 91.58 50.18 -64.15 -41.70 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 91 L H H 27.06 14.30 20.07 34.91 91.94 49.80 -64.29 -42.91 0.15 0.00 99.85 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 92 A H H 8.71 20.86 17.34 38.16 91.62 50.21 -63.49 -42.27 0.27 0.00 99.73 0.04 0.01 0.16 99.75 0.04 0.00 0.00 0.00 93 A H H 54.35 4.40 22.68 27.11 91.46 50.80 -63.21 -41.73 0.76 0.00 99.24 0.13 0.05 0.45 99.27 0.09 0.00 0.00 0.00 94 Q H H 96.59 3.19 22.24 24.97 91.81 49.23 -65.45 -40.15 1.70 0.00 98.29 0.29 0.13 1.09 98.27 0.21 0.00 0.00 0.00 95 A H H 14.41 15.81 14.63 31.32 91.91 51.59 -64.98 -39.62 4.09 0.02 95.89 0.99 0.41 2.41 95.65 0.52 0.00 0.01 0.01 96 K H H 99.69 9.10 16.61 26.38 92.14 53.51 -64.80 -37.33 11.13 0.08 88.79 2.75 1.16 6.90 87.98 1.14 0.01 0.03 0.03 97 K H H 145.46 1.53 16.89 17.95 93.02 53.26 -68.31 -32.47 19.91 0.20 79.90 5.38 2.61 11.72 78.44 1.65 0.02 0.08 0.09 98 A H H 66.17 4.87 12.57 18.85 96.26 56.52 -73.48 -24.93 36.10 0.70 63.20 13.94 5.86 17.00 60.58 1.95 0.03 0.28 0.35 99 T C C 79.88 6.77 10.21 18.25 101.11 62.88 -82.93 -6.42 63.13 0.75 36.12 40.98 1.34 18.12 37.38 1.45 0.00 0.31 0.43 100 A C C 76.28 4.16 12.42 18.14 104.56 86.48 -76.15 37.30 99.92 0.03 0.05 99.79 0.07 0.08 0.03 0.00 0.00 0.01 0.00