# 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 111.48 6.10 14.84 22.17 118.73 -151.93 -105.56 129.62 98.90 1.09 0.01 99.04 0.11 0.03 0.00 0.00 0.00 0.75 0.06 1 V C C 64.21 11.12 10.44 22.40 123.10 -167.16 -115.25 135.85 68.87 30.89 0.24 68.65 0.67 0.53 0.10 0.10 0.00 26.33 3.63 2 Q C C 126.26 2.75 15.27 19.03 114.10 -144.60 -99.15 123.40 66.33 33.42 0.26 56.74 7.13 1.32 0.07 0.24 0.00 29.82 4.66 3 Y C C 93.85 13.22 10.27 23.67 117.90 -157.25 -102.02 131.50 81.95 18.00 0.04 73.43 8.46 0.17 0.01 0.04 0.00 16.65 1.25 4 P C C 49.55 9.49 12.13 23.38 114.58 -108.82 -66.28 149.93 87.97 11.57 0.46 85.44 1.90 0.74 0.09 0.31 0.00 10.70 0.82 5 K C S 155.77 2.29 14.82 18.23 95.69 -131.34 -72.77 -26.83 88.18 11.21 0.62 14.83 66.89 6.00 0.06 0.59 0.00 10.96 0.68 6 T E E 76.34 4.68 15.58 21.47 129.34 25.62 -129.92 145.88 45.45 53.50 1.05 24.56 17.11 5.27 0.11 1.00 0.00 51.08 0.88 7 R E E 99.41 12.45 12.46 25.33 126.15 -168.64 -125.52 142.06 26.27 73.29 0.44 23.22 2.57 0.43 0.11 0.29 0.00 72.62 0.77 8 K E E 99.50 8.39 16.68 26.13 122.32 -147.72 -112.23 136.74 13.15 86.73 0.12 12.28 0.68 0.10 0.05 0.05 0.00 85.90 0.92 9 T E E 55.83 11.24 15.81 27.90 124.37 -161.81 -117.87 141.78 12.12 87.78 0.09 10.95 0.97 0.13 0.03 0.05 0.00 86.86 1.02 10 F E E 75.52 10.81 15.21 27.10 119.70 -149.84 -105.34 137.07 34.65 65.06 0.29 28.32 6.18 0.82 0.10 0.22 0.00 61.99 2.36 11 C C C 35.87 12.76 11.67 25.36 113.88 -135.67 -100.25 121.34 83.23 16.43 0.33 74.69 6.69 1.17 0.08 0.30 0.00 15.36 1.71 12 K C T 141.77 3.51 14.32 19.33 108.97 -148.55 -75.70 123.36 93.22 4.96 1.82 15.75 28.38 49.24 0.25 1.68 0.00 3.81 0.90 13 G C T 54.67 2.13 13.52 15.98 113.75 16.00 101.16 -170.69 95.83 1.77 2.40 6.67 39.79 49.53 0.21 2.15 0.00 1.10 0.54 14 E C S 120.03 3.91 11.21 16.84 118.67 -13.72 -95.19 142.19 90.83 2.73 6.44 13.67 55.99 21.37 0.88 5.38 0.00 1.41 1.30 15 P C T 102.01 2.73 13.46 16.88 104.07 -86.30 -71.88 89.49 87.13 3.06 9.80 16.29 28.37 42.29 1.12 9.06 0.01 1.80 1.06 16 C C C 57.06 10.99 8.78 20.05 109.32 41.60 -87.10 104.76 74.09 9.25 16.66 33.92 16.97 24.15 1.97 14.91 0.02 5.63 2.44 17 K C C 136.57 3.51 14.27 19.11 101.70 118.41 -82.87 -9.75 73.20 13.08 13.71 36.98 19.85 17.71 1.66 12.17 0.03 9.79 1.81 18 K C C 132.20 3.19 16.50 20.56 114.62 58.42 -94.61 131.61 66.18 20.77 13.05 34.15 18.31 15.52 1.50 11.12 0.03 17.66 1.71 19 H C C 67.69 16.67 9.82 25.42 122.94 -146.82 -107.62 140.68 59.54 38.11 2.35 50.38 7.33 1.44 0.95 1.42 0.01 36.68 1.81 20 Q E E 95.60 5.06 19.36 25.34 122.54 -156.19 -116.64 137.38 19.82 79.32 0.86 18.34 1.33 0.30 0.58 0.32 0.00 76.70 2.43 21 T E E 71.16 10.70 15.71 27.00 115.50 -113.33 -74.31 139.60 14.15 85.35 0.50 13.04 0.84 0.19 0.34 0.17 0.00 83.43 1.98 22 H E E 48.85 14.74 13.58 28.86 126.36 -166.23 -119.29 149.19 35.50 63.52 0.98 30.41 3.82 0.57 0.56 0.39 0.00 63.53 0.74 23 K E E 126.64 4.02 20.40 25.17 117.89 -132.41 -99.61 134.61 29.55 69.40 1.06 26.16 2.42 0.45 0.64 0.43 0.00 68.64 1.27 24 V E E 39.33 17.81 10.74 28.05 113.68 -131.36 -90.38 127.22 19.85 78.21 1.93 18.61 0.95 0.28 1.50 0.57 0.00 76.45 1.65 25 V E E 86.93 4.32 18.21 23.15 103.31 176.19 -100.07 -26.50 23.51 74.36 2.12 16.16 6.81 1.01 1.29 0.82 0.00 73.38 0.52 26 Q E E 99.49 4.96 18.06 24.04 131.01 1.69 -140.62 143.71 13.48 84.75 1.78 10.67 2.58 0.74 0.93 0.71 0.00 83.80 0.55 27 Y E E 86.83 16.10 11.59 26.94 123.24 -164.82 -118.22 136.74 18.50 79.82 1.68 16.69 1.32 0.41 1.29 0.57 0.00 78.43 1.28 28 K E E 98.90 6.97 16.62 24.63 119.77 -150.11 -104.28 140.64 48.41 49.66 1.93 37.17 9.18 2.15 1.15 0.90 0.00 47.94 1.51 29 V C C 91.97 6.66 14.44 22.42 115.72 -129.77 -87.75 138.76 71.24 24.14 4.62 35.94 24.02 12.56 1.83 2.72 0.02 20.90 2.01 30 G C C 36.87 8.34 13.49 22.57 121.87 124.07 -97.05 -162.65 80.81 10.39 8.80 32.91 31.24 18.14 3.36 4.82 0.03 7.40 2.10 31 K C C 135.02 4.33 15.00 20.29 106.74 -77.47 -84.07 93.72 73.82 8.81 17.36 39.14 22.49 13.06 9.66 7.34 0.08 5.51 2.73 32 A C C 59.55 7.94 13.37 22.20 103.47 71.23 -78.98 18.86 71.52 7.42 21.06 44.61 16.77 9.79 14.44 7.32 0.04 4.76 2.27 33 S C C 45.38 8.57 12.86 22.68 117.24 103.47 -93.13 146.43 58.97 8.85 32.18 40.14 11.63 7.31 25.64 6.85 0.06 5.55 2.82 34 V H H 86.69 6.93 14.37 22.22 95.31 -116.08 -67.89 -29.27 37.25 6.69 56.05 14.02 9.59 15.65 42.07 11.48 0.72 4.69 1.78 35 V H H 84.11 6.26 14.74 21.91 97.62 53.69 -81.15 -22.51 37.12 8.25 54.63 13.11 8.62 16.84 40.50 12.01 0.84 6.06 2.02 36 A H H 49.86 8.26 13.12 22.53 99.32 59.57 -80.87 -15.60 41.25 8.27 50.48 17.47 9.61 15.88 37.58 10.93 0.62 5.64 2.25 37 Q C H 103.17 6.29 14.47 21.68 103.61 67.20 -89.39 2.36 53.52 7.16 39.32 20.05 12.21 22.31 31.80 6.59 0.38 4.52 2.15 38 G C C 34.74 8.26 13.16 22.43 115.19 -122.06 85.61 165.23 67.41 7.59 25.00 31.70 15.91 20.11 19.00 6.20 0.14 5.06 1.89 39 K C C 127.78 5.21 14.18 20.53 111.49 -77.61 -89.59 123.45 52.10 13.14 34.76 31.51 11.14 9.82 26.74 8.02 0.14 10.18 2.47 40 R C H 124.76 7.91 12.55 21.47 114.52 -146.66 -91.52 131.91 41.27 20.08 38.65 25.40 8.54 8.07 29.34 8.83 0.22 16.92 2.69 41 R H H 129.62 6.66 13.92 21.71 113.21 -152.01 -96.47 125.19 35.03 24.47 40.50 22.85 6.31 6.78 30.86 9.29 0.16 20.95 2.81 42 Y H H 98.58 9.92 11.69 22.55 115.77 -154.42 -102.88 128.48 34.37 22.85 42.78 21.29 7.07 7.47 33.40 8.64 0.25 18.99 2.89 43 D C H 76.15 6.03 13.37 20.80 110.23 -153.57 -95.89 113.29 43.95 15.66 40.39 28.55 7.70 8.23 32.66 7.55 0.09 13.26 1.97 44 M C H 106.69 6.94 11.61 19.79 101.74 -162.14 -79.96 -10.11 46.20 11.51 42.29 27.38 9.51 10.30 32.48 9.06 0.11 9.30 1.83 45 K C H 139.70 2.78 12.56 16.47 101.09 76.76 -82.45 -2.46 48.38 13.31 38.31 28.26 9.30 11.61 29.27 8.55 0.15 10.29 2.57 46 Q C C 105.94 5.68 9.87 17.03 108.01 88.57 -88.17 94.39 56.80 14.37 28.83 35.84 10.37 10.68 22.14 6.93 0.14 9.80 4.09 47 K C C 138.28 3.52 11.23 16.21 111.29 82.60 -92.52 120.33 69.82 11.02 19.16 36.20 14.84 19.20 13.95 5.30 0.11 6.89 3.51 48 G C C 47.53 3.70 10.75 15.95 116.35 13.70 100.48 -126.99 82.35 6.06 11.60 31.50 22.76 29.43 4.63 6.08 0.03 3.48 2.09 49 F C T 145.16 3.83 9.56 14.85 108.82 -53.58 -88.90 102.99 77.41 7.55 15.04 22.70 21.25 34.78 4.46 9.33 0.08 4.05 3.36 50 G C T 58.52 1.99 11.45 14.30 104.60 0.43 72.61 8.15 84.99 3.88 11.12 17.37 22.06 45.88 2.13 8.63 0.02 2.37 1.54 51 G C C 52.19 3.63 10.69 15.78 109.09 -47.33 79.63 6.81 85.56 6.30 8.14 31.60 27.95 26.67 1.25 6.83 0.01 3.75 1.94 52 Q C C 112.63 4.57 10.37 16.61 115.28 123.04 -89.43 134.08 82.76 13.93 3.31 56.92 19.92 5.46 1.05 2.50 0.01 8.37 5.77 53 T C C 93.61 4.50 11.07 17.17 110.19 -157.51 -93.17 99.78 80.73 17.74 1.53 59.61 17.71 2.79 0.61 1.09 0.00 12.05 6.14 54 K C C 122.70 4.93 11.74 18.25 118.48 -135.53 -102.06 134.87 83.90 15.70 0.40 66.77 16.51 0.74 0.20 0.24 0.00 13.20 2.32 55 P C C 81.59 6.36 11.63 19.62 113.62 -109.73 -67.89 145.26 75.86 22.84 1.30 69.64 4.31 1.43 0.69 0.66 0.00 17.36 5.90 56 V C C 86.97 7.06 11.00 19.50 114.38 -141.89 -96.00 132.18 75.70 20.91 3.38 53.10 18.92 3.62 2.19 1.49 0.01 15.93 4.73 57 F C C 121.21 6.32 10.74 18.57 118.73 -149.83 -104.56 135.58 67.83 27.66 4.51 48.47 15.76 3.32 2.99 1.90 0.02 20.50 7.03 58 H C C 124.22 5.07 11.00 17.88 117.02 -157.18 -101.49 130.82 74.61 19.74 5.65 61.92 8.83 3.37 3.53 2.43 0.00 16.19 3.74 59 K C C 131.06 4.71 10.93 17.39 115.65 -147.64 -89.98 136.93 74.53 12.52 12.95 50.91 15.07 8.51 7.37 5.71 0.02 9.25 3.16 60 K C C 137.45 4.15 11.83 17.74 113.48 -128.87 -88.79 133.42 73.23 10.08 16.69 46.48 16.69 10.42 8.50 8.08 0.03 6.61 3.19 61 A C C 61.93 7.48 10.17 19.01 114.80 -121.63 -83.32 142.08 72.95 8.04 19.01 50.34 13.66 9.40 8.55 10.23 0.02 5.24 2.57 62 K C C 132.91 4.53 13.03 18.99 109.41 -133.42 -89.86 123.62 74.09 9.30 16.61 50.32 13.72 10.31 7.17 9.23 0.02 6.18 3.05 63 T C C 79.32 7.36 12.40 20.91 114.13 -150.76 -98.55 128.78 75.72 11.24 13.04 42.99 19.71 13.81 5.79 6.88 0.06 7.24 3.53 64 T C C 73.39 7.60 13.76 22.49 113.18 -156.74 -101.08 126.36 78.44 14.85 6.71 47.01 21.01 11.01 2.90 3.78 0.03 10.66 3.60 65 K C C 100.14 8.98 15.61 25.40 117.25 -136.91 -96.87 134.13 79.89 19.20 0.91 53.59 24.09 2.54 0.23 0.69 0.00 17.42 1.45 66 K E E 85.78 11.08 17.43 28.92 122.57 -150.72 -105.90 141.68 48.95 50.87 0.18 42.93 4.41 0.46 0.04 0.14 0.00 51.02 0.99 67 I E E 26.73 17.03 16.76 34.55 119.82 -148.13 -108.11 132.35 8.84 91.15 0.01 8.56 0.32 0.02 0.00 0.00 0.00 90.74 0.35 68 T E E 32.06 11.94 21.77 34.78 120.03 -157.14 -110.10 131.77 2.54 97.46 0.00 2.34 0.09 0.00 0.00 0.00 0.00 97.54 0.03 69 L E E 14.35 20.64 17.89 38.96 120.70 -161.27 -111.88 132.85 0.58 99.42 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.46 0.00 70 K E E 64.60 10.71 23.74 34.97 118.25 -157.28 -109.05 128.01 0.28 99.72 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 71 L E E 11.56 21.76 17.09 39.01 123.79 -166.63 -115.83 135.69 0.30 99.70 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.73 0.00 72 Q E E 64.48 7.88 22.55 31.35 118.29 -152.01 -110.01 127.95 0.92 99.08 0.00 0.84 0.05 0.00 0.00 0.00 0.00 99.06 0.04 73 C E E 11.04 17.94 11.54 30.79 109.47 -132.17 -83.62 120.70 19.74 80.24 0.03 18.47 0.85 0.07 0.00 0.02 0.00 80.11 0.46 74 T C T 82.13 4.53 16.84 22.64 94.39 -160.18 -71.02 -28.74 98.53 0.80 0.67 1.45 9.84 87.22 0.02 0.74 0.00 0.61 0.12 75 S C T 76.81 2.83 15.23 18.67 97.89 46.64 -78.11 -40.32 99.04 0.16 0.81 0.37 5.96 92.70 0.03 0.80 0.00 0.08 0.06 76 C C T 63.65 5.45 12.69 19.73 100.97 21.54 -105.55 -8.19 99.14 0.29 0.57 2.00 7.96 89.13 0.03 0.64 0.00 0.19 0.06 77 K C C 145.89 3.59 13.91 19.31 94.45 -127.89 63.42 26.69 95.53 4.07 0.41 58.20 6.71 30.42 0.06 0.38 0.00 3.71 0.53 78 L C C 73.36 5.90 14.39 22.07 122.73 140.84 -95.41 147.61 57.62 42.34 0.03 55.80 1.08 0.10 0.00 0.02 0.00 42.55 0.44 79 I E E 85.80 11.74 13.74 26.11 123.23 -143.30 -116.06 135.69 2.54 97.46 0.00 2.55 0.07 0.01 0.00 0.00 0.00 97.25 0.12 80 K E E 81.68 8.92 17.37 27.64 131.41 -176.61 -135.23 148.21 0.77 99.23 0.00 0.78 0.03 0.00 0.00 0.00 0.00 99.16 0.03 81 Q E E 93.45 10.67 16.16 27.55 119.62 -133.15 -100.53 133.55 2.72 97.26 0.01 2.60 0.12 0.02 0.00 0.01 0.00 97.15 0.10 82 I E E 39.44 14.14 15.24 30.41 124.82 -170.76 -120.69 138.13 19.42 80.53 0.04 18.55 0.44 0.04 0.01 0.03 0.00 80.76 0.16 83 K E E 124.73 4.92 20.58 26.40 113.62 -123.82 -82.95 131.18 26.69 73.22 0.09 25.49 0.70 0.08 0.03 0.05 0.00 73.00 0.65 84 I E E 23.97 20.99 10.94 31.51 120.86 -163.28 -111.54 135.53 48.07 51.55 0.38 46.00 1.48 0.23 0.13 0.23 0.00 50.47 1.45 85 K C E 124.40 3.54 21.23 24.98 114.88 -143.36 -86.65 146.48 56.95 42.04 1.01 36.31 19.37 2.31 0.20 0.79 0.00 40.11 0.90 86 R C E 116.77 9.20 17.79 27.31 116.55 -87.45 -90.67 137.98 49.44 49.12 1.44 34.47 14.49 2.69 0.32 1.18 0.00 44.41 2.44 87 C E E 28.02 17.97 11.75 29.48 125.81 -165.37 -121.14 144.91 36.71 62.14 1.15 34.11 2.32 0.58 0.44 0.74 0.00 57.35 4.45 88 K E E 122.86 4.50 18.97 24.39 98.66 -160.82 -85.14 -30.42 48.73 50.30 0.97 15.71 29.87 4.87 0.13 0.74 0.00 47.84 0.82 89 H E E 95.42 6.19 20.17 27.26 135.41 4.67 -148.94 146.01 34.34 64.73 0.94 18.48 13.28 3.51 0.13 0.75 0.00 63.29 0.57 90 F E E 52.32 18.99 12.71 31.07 125.54 -166.94 -129.01 135.07 26.86 72.18 0.97 25.12 1.59 0.36 0.40 0.51 0.00 70.56 1.46 91 E E E 90.74 6.46 20.13 27.37 118.26 -159.16 -113.91 126.26 28.57 70.51 0.92 26.18 1.82 0.60 0.44 0.49 0.00 68.44 2.02 92 L E E 65.81 13.67 13.60 27.30 112.16 -155.12 -89.91 127.67 44.83 50.97 4.19 35.13 6.78 4.03 1.30 2.91 0.01 47.46 2.38 93 A C C 60.54 7.38 14.81 22.87 110.21 19.17 -77.72 120.86 68.44 25.37 6.19 28.13 20.66 21.63 1.18 4.60 0.03 21.90 1.87 94 D C S 96.53 4.54 13.43 19.09 105.79 34.64 -90.48 58.72 77.69 15.24 7.06 28.13 28.89 22.35 1.59 5.04 0.01 12.26 1.73 95 R C C 129.56 7.43 10.54 19.31 110.20 125.81 -89.87 116.05 76.88 13.46 9.66 55.95 12.75 7.83 3.69 6.23 0.01 10.35 3.18 96 K C C 143.64 3.23 11.98 16.82 109.31 -174.68 -92.82 107.01 77.41 9.69 12.90 49.69 14.12 13.68 5.34 7.62 0.01 6.60 2.93 97 G C C 47.56 4.51 12.24 18.20 111.45 5.25 94.09 10.76 79.26 6.99 13.75 44.07 19.13 16.56 4.80 8.88 0.02 4.44 2.11 98 R C C 149.98 4.93 11.44 17.91 112.69 -115.92 -91.82 128.22 77.93 7.10 14.97 49.37 16.86 11.70 5.34 9.82 0.02 4.25 2.63 99 S C C 69.08 6.07 10.29 17.94 112.63 -139.85 -91.71 126.70 81.11 5.47 13.41 52.02 14.15 14.61 3.88 9.94 0.00 3.23 2.18 100 K C C 151.73 2.73 11.50 15.84 108.97 -128.62 -85.08 105.50 87.54 3.61 8.84 34.57 19.66 33.82 1.93 6.67 0.01 1.99 1.34 101 G C C 48.12 4.66 10.98 17.23 112.41 -20.75 91.56 125.95 90.96 3.65 5.39 36.61 22.75 31.80 0.85 4.71 0.00 2.08 1.19 102 Q C C 113.99 4.75 10.61 17.12 116.88 -110.11 -91.14 138.98 91.54 6.04 2.43 60.19 27.56 3.86 0.70 1.73 0.00 3.42 2.54 103 P C C 90.26 5.44 9.63 16.79 109.73 -109.03 -70.63 141.05 89.41 7.08 3.50 68.52 11.23 9.24 0.76 3.00 0.00 5.26 1.98 104 D C C 112.04 2.76 10.01 14.45 107.99 -142.59 -88.86 96.63 88.17 9.33 2.50 80.51 2.61 5.37 0.65 1.50 0.00 6.18 3.18 105 W C C 149.90 7.19 10.50 18.70 106.99 136.19 -92.23 60.50 99.32 0.67 0.02 99.31 0.15 0.05 0.00 0.00 0.00 0.41 0.07