# 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 116.45 5.60 14.55 21.45 117.43 -156.33 -99.53 128.23 98.89 1.10 0.01 99.05 0.10 0.03 0.00 0.00 0.00 0.76 0.05 1 V C C 66.34 10.49 10.25 21.64 122.25 -170.94 -113.91 136.89 59.50 40.29 0.21 58.39 0.90 0.38 0.09 0.10 0.00 35.82 4.33 2 N C C 116.17 2.31 15.53 18.60 112.52 -141.07 -94.35 120.60 58.17 41.60 0.23 47.32 8.13 1.43 0.07 0.23 0.00 37.87 4.96 3 V C C 52.18 14.40 9.32 23.67 118.43 -162.77 -102.41 130.04 75.39 24.55 0.06 66.32 8.80 0.22 0.01 0.05 0.00 23.07 1.53 4 P C C 52.14 7.46 13.18 22.68 114.34 -109.88 -65.29 149.16 85.00 14.48 0.52 82.16 2.29 0.78 0.12 0.35 0.00 12.75 1.54 5 K C S 155.82 2.60 13.76 17.82 93.93 -131.76 -70.44 -24.59 91.77 5.92 2.31 13.09 57.65 21.16 0.21 2.03 0.00 5.06 0.80 6 T C S 83.92 3.79 15.22 20.08 119.35 45.98 -117.98 137.32 74.87 22.62 2.51 18.98 35.17 21.38 0.20 2.26 0.01 20.87 1.12 7 R C C 101.05 10.54 12.83 24.22 123.87 -173.77 -120.42 138.83 57.91 40.91 1.18 49.14 6.77 1.33 0.15 1.11 0.00 40.40 1.08 8 R E E 113.35 8.76 15.41 25.30 119.39 -140.93 -100.24 138.17 22.48 77.48 0.04 21.94 0.60 0.04 0.01 0.02 0.00 76.83 0.56 9 T E E 47.10 10.33 15.65 27.40 127.11 -167.98 -122.50 145.57 3.94 96.06 0.01 3.47 0.24 0.01 0.00 0.00 0.00 96.16 0.12 10 F E E 92.43 7.73 15.06 24.47 116.83 -125.66 -96.17 131.62 2.77 97.22 0.01 2.69 0.17 0.01 0.00 0.00 0.00 95.26 1.86 11 C C C 22.57 12.39 9.72 24.02 108.98 -130.81 -85.89 118.72 63.65 36.31 0.03 63.40 0.68 0.07 0.01 0.02 0.00 34.63 1.19 12 K C T 150.90 2.19 13.42 16.96 93.55 -158.45 -68.37 -28.72 99.34 0.14 0.53 0.30 3.59 95.48 0.01 0.50 0.00 0.09 0.03 13 K C T 160.38 0.95 13.19 13.71 97.15 47.82 -75.59 -38.63 99.34 0.05 0.61 0.09 2.04 97.34 0.01 0.50 0.00 0.02 0.01 14 C C T 71.78 3.93 11.33 16.76 101.46 22.74 -105.14 -13.79 99.58 0.04 0.38 0.22 2.14 97.26 0.00 0.34 0.00 0.02 0.01 15 G C C 46.80 3.82 12.26 17.84 96.14 -122.99 78.44 6.11 98.99 0.82 0.19 62.10 5.80 31.08 0.03 0.17 0.00 0.63 0.20 16 K C C 115.15 2.99 15.72 19.78 121.21 128.03 -90.13 149.51 76.24 23.74 0.02 72.50 2.99 0.13 0.00 0.02 0.00 23.83 0.53 17 H E E 86.67 12.85 11.92 25.07 115.96 -114.17 -82.85 136.89 1.75 98.25 0.00 1.69 0.08 0.00 0.00 0.00 0.00 96.58 1.64 18 Q E E 70.50 7.92 17.17 26.58 127.88 -176.15 -133.28 144.15 6.57 93.43 0.00 6.02 0.33 0.01 0.00 0.00 0.00 93.53 0.11 19 P E E 75.88 7.78 17.19 25.89 114.70 -105.33 -66.89 144.98 16.33 83.65 0.02 15.13 0.94 0.06 0.00 0.02 0.00 83.23 0.61 20 H C E 44.20 16.59 12.53 29.16 126.34 -165.90 -119.89 150.69 52.37 47.53 0.10 47.07 4.34 0.25 0.02 0.08 0.00 47.53 0.71 21 K E E 129.56 3.75 20.82 25.25 117.17 -126.45 -97.57 135.48 38.17 61.74 0.09 34.82 2.70 0.16 0.03 0.06 0.00 59.92 2.31 22 V E E 41.61 18.02 10.92 28.29 116.45 -137.53 -92.40 133.00 32.86 66.99 0.14 31.51 1.00 0.10 0.07 0.07 0.00 62.78 4.47 23 T E E 70.34 5.48 18.18 24.43 112.59 -167.45 -98.91 116.58 46.18 53.51 0.32 33.03 12.45 0.82 0.08 0.26 0.00 52.32 1.03 24 Q E E 107.48 5.94 16.35 23.42 118.22 -94.02 -109.56 136.25 34.49 65.00 0.51 27.64 5.96 0.88 0.15 0.39 0.00 62.00 2.97 25 Y E E 82.48 13.79 10.10 23.91 121.87 -160.67 -110.72 139.26 41.76 57.76 0.47 38.55 2.15 0.37 0.27 0.25 0.00 51.37 7.04 26 K C C 118.33 4.13 14.00 19.45 116.20 -125.43 -86.11 145.25 76.40 22.17 1.43 58.25 13.77 4.17 0.41 1.17 0.00 19.18 3.04 27 K C T 150.26 3.13 11.97 16.87 109.14 -100.48 -67.87 136.28 88.61 6.73 4.66 13.16 24.13 51.52 0.81 3.87 0.01 4.92 1.57 28 G C T 55.19 3.03 12.74 16.58 105.37 26.31 83.74 -5.94 92.90 2.58 4.53 19.82 23.91 49.17 0.61 4.08 0.00 1.58 0.82 29 K C C 110.15 6.30 11.13 18.89 114.04 108.03 -92.20 134.71 87.05 6.01 6.93 46.29 25.28 15.59 1.48 5.57 0.01 2.96 2.82 30 D C C 104.67 4.11 14.02 19.38 104.61 -130.05 -88.57 25.42 88.58 5.24 6.18 52.80 21.20 14.60 1.61 4.63 0.00 2.77 2.39 31 S C C 35.06 9.55 12.82 23.98 127.14 117.36 -112.73 158.43 80.87 8.66 10.47 52.04 22.24 5.90 6.28 4.20 0.02 3.40 5.93 32 L C T 86.82 8.73 15.70 25.47 93.12 -111.61 -64.33 -28.64 54.63 2.05 43.32 7.49 10.48 34.99 21.91 22.39 0.30 1.14 1.30 33 Y C T 105.43 9.94 16.03 26.57 95.32 57.32 -79.89 -17.33 52.71 3.33 43.95 7.87 8.91 33.91 22.40 22.76 0.48 2.12 1.57 34 A C H 36.74 11.12 14.36 26.56 100.36 65.00 -80.65 -3.84 48.93 7.01 44.06 18.31 11.68 19.92 22.66 20.19 0.37 4.11 2.77 35 Q C T 94.80 7.76 15.94 24.48 106.96 72.16 -87.98 49.36 63.57 7.29 29.14 22.84 14.40 27.23 20.59 7.73 0.27 4.07 2.87 36 G C C 31.04 9.80 13.89 24.48 119.62 -137.70 90.48 171.29 72.20 8.60 19.20 33.52 16.80 22.84 11.72 7.00 0.15 5.27 2.69 37 K C C 127.71 5.38 15.18 21.72 111.65 -101.86 -92.20 122.99 61.28 13.75 24.97 38.16 12.82 10.25 15.84 9.57 0.12 9.79 3.45 38 R C C 124.88 7.89 12.82 21.87 116.97 -134.67 -95.15 133.55 52.48 19.88 27.65 31.49 11.13 10.30 16.63 11.14 0.16 15.81 3.35 39 R C C 128.73 6.92 13.85 22.05 113.42 -152.60 -95.74 127.37 47.04 25.87 27.09 27.95 9.78 10.21 16.65 10.76 0.18 20.70 3.76 40 Y C C 97.07 10.01 10.92 22.01 119.49 -158.33 -107.99 136.14 48.82 27.32 23.87 29.74 11.60 7.91 16.57 7.84 0.18 21.17 4.99 41 D C C 81.05 5.42 12.78 19.78 113.02 -150.77 -96.93 127.90 61.84 18.52 19.64 42.89 10.48 8.13 13.99 6.37 0.06 15.42 2.66 42 R C C 149.20 5.22 11.17 18.01 102.82 -143.14 -81.01 13.86 60.07 15.68 24.24 34.95 13.11 12.62 14.61 9.75 0.14 11.93 2.87 43 K C C 141.75 2.50 11.82 15.56 106.23 111.86 -84.75 50.29 59.90 17.55 22.55 36.18 12.51 11.49 13.18 9.72 0.17 12.82 3.92 44 Q C C 109.06 5.07 9.40 16.12 109.15 76.72 -87.65 110.09 64.28 19.20 16.52 43.42 11.23 8.66 10.08 6.98 0.15 11.94 7.54 45 S C C 74.79 4.09 10.01 15.64 110.39 124.41 -93.24 109.47 78.45 11.06 10.49 47.97 15.06 15.61 4.88 5.32 0.03 6.71 4.42 46 G C T 53.14 2.56 10.43 14.32 111.98 -6.08 78.18 -9.95 85.36 4.22 10.42 23.00 29.33 33.99 2.33 7.26 0.01 2.37 1.71 47 Y C T 168.32 2.60 9.16 13.15 106.72 0.10 -94.34 77.29 82.82 4.58 12.60 16.16 24.56 42.58 2.37 9.49 0.03 2.46 2.34 48 G C T 58.73 1.78 11.00 13.55 105.17 -16.52 73.36 2.68 86.49 3.64 9.87 17.64 25.74 43.15 1.40 8.42 0.01 2.12 1.52 49 G C C 50.23 3.80 10.24 15.64 107.99 -59.48 73.31 16.61 87.33 6.39 6.27 37.33 28.23 21.98 0.89 5.71 0.00 3.70 2.15 50 Q C C 113.33 4.49 10.51 16.57 114.88 85.84 -88.09 136.53 82.41 14.50 3.09 56.81 19.60 5.54 0.91 2.44 0.00 8.65 6.05 51 T C C 92.64 4.69 11.14 17.40 108.30 -133.08 -93.43 54.42 79.44 19.21 1.35 60.03 15.97 2.77 0.47 1.03 0.00 13.09 6.64 52 K C C 122.43 4.60 12.17 18.38 118.99 72.80 -102.83 135.84 81.46 18.28 0.26 65.77 15.35 0.64 0.11 0.19 0.00 15.52 2.43 53 P C C 78.06 6.85 11.54 20.02 113.81 -109.13 -67.35 145.63 72.27 27.05 0.68 67.91 3.20 0.80 0.35 0.37 0.00 20.04 7.32 54 I C C 99.73 6.75 11.40 19.53 111.13 -139.81 -91.99 126.06 77.69 19.21 3.10 47.63 27.70 2.97 2.15 1.20 0.01 15.06 3.28 55 F C C 116.40 6.56 11.05 19.05 121.02 -141.19 -111.64 138.08 64.85 31.11 4.04 45.17 17.29 2.60 2.82 1.54 0.02 23.39 7.18 56 R C C 146.82 5.10 11.31 18.23 117.28 -156.93 -103.79 133.95 71.25 23.28 5.46 61.75 6.41 2.33 3.67 2.06 0.00 19.34 4.43 57 K C C 129.41 5.02 11.25 17.89 115.85 -140.29 -94.87 141.33 74.15 12.98 12.87 50.79 16.04 7.35 7.66 5.32 0.02 9.58 3.23 58 K C C 136.12 4.36 12.21 18.21 112.86 -123.64 -85.38 135.56 73.79 9.53 16.68 47.42 17.29 9.36 8.83 7.87 0.03 6.23 2.97 59 A C C 58.57 8.46 10.13 19.77 113.56 -123.33 -78.92 142.44 73.29 6.62 20.08 52.38 12.49 8.56 9.26 10.84 0.01 4.26 2.20 60 K C C 133.65 4.31 13.05 18.81 110.38 -138.18 -87.11 127.56 74.13 7.51 18.37 50.50 13.77 9.99 8.46 9.84 0.02 4.68 2.73 61 T C C 82.35 6.82 12.45 20.43 110.71 -146.55 -92.95 113.66 76.06 8.72 15.22 47.42 16.61 12.35 6.74 8.32 0.03 5.33 3.20 62 T C C 74.46 7.64 13.07 21.68 110.04 80.21 -98.64 89.78 81.83 8.80 9.36 49.32 20.58 12.38 3.97 5.24 0.02 5.68 2.80 63 K C C 114.64 7.10 15.36 23.46 108.66 77.28 -89.64 82.00 85.84 10.68 3.47 45.45 34.19 7.08 1.09 2.25 0.01 8.31 1.61 64 K C C 88.63 10.26 17.16 27.90 120.38 69.14 -106.61 140.25 69.97 29.28 0.75 47.51 19.66 2.39 0.15 0.59 0.00 28.64 1.06 65 I E E 32.89 16.48 16.76 33.76 119.65 -143.39 -106.26 131.72 17.16 82.79 0.05 16.19 0.82 0.07 0.01 0.03 0.00 82.22 0.66 66 V E E 30.37 12.85 21.05 35.10 120.14 -160.59 -111.09 131.30 4.93 95.06 0.00 4.64 0.19 0.01 0.00 0.00 0.00 95.06 0.10 67 L E E 20.09 19.24 18.56 38.23 119.21 -157.88 -105.76 129.99 1.44 98.56 0.00 1.28 0.06 0.00 0.00 0.00 0.00 98.64 0.02 68 R E E 72.03 11.63 23.32 35.30 119.43 -163.89 -111.40 129.67 0.71 99.29 0.00 0.62 0.03 0.00 0.00 0.00 0.00 99.35 0.00 69 L E E 16.30 21.07 17.34 38.73 120.61 -157.08 -107.16 133.62 0.72 99.28 0.00 0.63 0.03 0.00 0.00 0.00 0.00 99.34 0.01 70 E E E 63.47 9.42 23.20 33.28 123.86 -164.91 -116.10 137.54 1.30 98.70 0.00 1.11 0.10 0.01 0.00 0.00 0.00 98.74 0.04 71 C E E 19.84 17.46 12.94 31.19 113.19 -119.56 -77.83 131.54 15.19 84.78 0.04 13.70 0.96 0.08 0.01 0.03 0.00 84.76 0.46 72 V C S 75.06 6.40 17.90 25.60 97.88 -162.97 -88.30 -22.32 81.11 18.80 0.09 20.62 57.48 1.91 0.01 0.10 0.00 19.52 0.37 73 E C S 87.81 5.47 13.25 20.57 121.04 66.89 -109.09 137.37 82.65 16.95 0.40 9.17 66.35 7.39 0.04 0.36 0.00 15.37 1.31 74 P C T 98.10 3.56 12.72 17.67 105.86 -100.37 -62.20 136.21 97.18 0.50 2.32 2.94 13.61 80.29 0.15 2.51 0.00 0.34 0.16 75 N C T 130.48 1.30 14.45 15.35 95.56 21.14 52.63 13.95 96.45 0.97 2.59 4.22 12.51 79.36 0.22 2.76 0.00 0.71 0.23 76 C C C 47.35 12.21 8.49 20.85 112.77 104.78 -99.07 110.98 78.36 18.17 3.47 47.31 19.20 11.80 0.67 3.44 0.01 12.63 4.94 77 R C C 165.45 2.76 14.17 18.05 100.73 136.36 -96.36 -3.90 78.68 20.01 1.31 60.03 14.92 3.18 0.60 0.85 0.00 18.60 1.81 78 S C C 58.53 4.86 14.58 20.89 122.82 88.55 -102.22 150.66 66.82 31.52 1.66 56.33 7.86 1.55 1.13 0.65 0.00 31.38 1.11 79 K E E 107.96 10.95 12.53 24.17 123.66 -150.38 -113.74 140.77 36.35 60.94 2.71 30.60 4.08 0.67 2.25 0.53 0.00 61.25 0.62 80 R E E 110.94 7.63 16.47 25.55 127.56 -170.53 -126.82 143.16 7.75 89.32 2.93 6.65 0.61 0.25 2.70 0.40 0.00 88.99 0.39 81 M E E 90.88 11.28 15.25 27.08 118.32 -135.25 -99.22 132.57 6.84 90.28 2.88 6.19 0.36 0.16 2.72 0.33 0.00 89.85 0.38 82 L E E 50.80 13.01 15.25 29.13 121.44 -165.44 -110.50 137.66 23.05 74.28 2.67 21.19 0.92 0.21 2.42 0.37 0.00 74.51 0.38 83 A E E 54.29 7.85 19.22 27.85 117.60 -129.75 -92.28 136.73 34.37 62.79 2.85 30.57 2.27 0.40 2.37 0.51 0.00 63.30 0.58 84 I E E 40.18 18.01 12.74 30.60 121.54 -160.16 -110.72 134.27 40.73 55.67 3.59 37.23 2.39 0.62 2.85 0.83 0.00 54.69 1.39 85 K E E 119.86 5.03 19.69 25.51 118.80 -150.21 -97.94 142.54 45.81 49.80 4.39 33.60 10.69 1.85 3.19 1.26 0.00 48.36 1.04 86 R E E 121.49 9.06 16.69 26.29 114.59 -99.83 -78.37 136.22 42.97 51.83 5.20 31.50 9.68 2.58 3.46 1.87 0.01 47.40 3.48 87 C E E 31.98 16.26 10.81 26.99 124.08 -157.88 -112.64 147.25 43.28 52.22 4.50 37.77 3.80 1.53 2.53 2.16 0.01 47.74 4.46 88 K C E 140.49 3.14 17.43 21.24 98.43 -156.19 -83.89 -28.26 56.71 39.83 3.46 15.31 33.06 9.79 0.99 2.03 0.02 37.64 1.16 89 H E E 105.81 4.88 18.51 24.30 132.67 7.75 -143.93 145.34 47.10 49.73 3.17 22.10 18.71 7.53 0.86 1.95 0.01 48.11 0.74 90 F E E 67.05 17.35 11.48 28.10 125.88 -169.16 -126.84 135.48 40.21 56.98 2.81 36.24 3.05 1.03 1.40 1.47 0.00 54.33 2.46 91 E E E 100.53 5.59 18.09 24.74 118.20 -160.75 -114.13 126.73 42.86 55.47 1.67 39.06 2.48 0.98 0.99 0.83 0.00 52.09 3.55 92 L C C 82.80 10.99 12.66 24.25 114.15 -152.96 -90.44 132.77 58.76 37.95 3.29 34.51 12.57 13.28 1.22 2.14 0.01 34.06 2.20 93 G C C 44.44 4.73 14.68 20.52 112.38 24.94 101.57 -65.90 79.26 16.44 4.30 31.12 27.08 22.07 1.49 2.68 0.02 13.86 1.68 94 G C S 41.50 5.34 12.75 19.40 117.86 24.69 86.85 -168.90 79.37 7.67 12.96 26.89 35.01 18.42 5.63 6.63 0.05 5.48 1.90 95 D C C 95.63 4.51 12.42 18.21 105.83 -33.68 -85.10 72.90 72.26 6.90 20.84 38.20 19.07 15.72 9.63 10.77 0.03 4.49 2.08 96 K C C 123.34 5.84 10.60 17.96 99.33 113.51 -78.01 -3.19 62.11 7.85 30.03 37.86 13.85 10.94 14.30 15.51 0.04 5.30 2.18 97 K C C 141.11 2.86 12.06 16.27 97.41 91.86 -75.48 -19.20 62.20 8.17 29.64 39.70 12.27 10.47 14.87 14.77 0.04 5.57 2.30 98 R C C 140.25 4.88 10.42 16.73 102.10 58.57 -91.13 8.96 66.69 6.88 26.43 46.21 10.07 10.37 12.63 13.93 0.02 4.45 2.31 99 K C T 135.35 4.27 10.14 16.24 108.83 116.94 -77.12 120.19 74.90 4.63 20.48 23.71 11.09 40.20 10.22 9.94 0.04 2.91 1.90 100 G C T 53.42 3.42 11.23 16.15 104.90 13.50 77.45 3.09 81.77 2.61 15.63 19.05 14.73 48.46 5.35 9.77 0.01 1.81 0.83 101 Q C C 115.99 3.87 9.76 15.48 114.55 134.23 -90.00 134.65 79.99 9.67 10.34 49.41 18.45 12.56 3.04 7.34 0.01 6.69 2.49 102 V C C 108.33 3.53 9.26 14.70 112.75 -136.53 -91.55 128.08 76.50 21.43 2.07 68.42 4.08 2.87 1.12 0.93 0.00 12.66 9.92 103 I C C 102.91 6.61 10.96 18.90 112.00 -160.31 -95.90 118.88 99.27 0.71 0.01 99.29 0.12 0.04 0.00 0.00 0.00 0.51 0.04