# 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 123.19 4.22 9.79 15.99 115.97 -159.83 -100.21 131.36 99.71 0.28 0.01 99.71 0.08 0.03 0.00 0.00 0.00 0.15 0.02 1 N C C 118.78 2.31 8.35 12.42 114.43 -157.28 -99.81 130.02 86.81 10.74 2.44 80.78 1.44 4.57 1.02 0.97 0.00 9.69 1.53 2 N C C 123.04 2.10 7.95 11.74 115.17 -161.24 -99.74 127.42 74.71 20.69 4.60 49.89 14.56 10.65 1.48 2.97 0.01 18.55 1.89 3 K C C 146.96 2.41 7.70 11.96 116.79 -153.76 -102.39 133.05 64.21 30.28 5.51 46.89 10.94 6.54 2.04 3.35 0.01 28.19 2.04 4 Y C C 164.95 2.74 8.11 12.72 119.07 -161.46 -107.34 134.68 57.49 36.90 5.61 45.50 7.90 4.17 2.44 3.06 0.01 34.78 2.14 5 F C C 147.53 3.30 8.47 13.59 116.65 -154.22 -100.47 131.72 59.05 34.98 5.97 48.73 6.52 3.33 2.73 2.91 0.01 33.94 1.83 6 L C C 120.07 3.35 9.11 14.19 113.30 -162.08 -100.79 126.66 61.12 31.83 7.05 46.21 9.81 4.74 3.05 3.58 0.01 30.96 1.62 7 T C C 93.69 3.94 9.29 14.98 118.98 -156.26 -107.16 135.00 56.91 35.39 7.70 42.92 9.46 4.65 3.48 3.92 0.03 33.67 1.87 8 K C C 145.13 3.09 10.43 15.25 116.46 -151.12 -101.60 131.66 55.88 37.64 6.48 46.07 5.99 3.26 3.05 3.09 0.01 36.79 1.73 9 I C C 104.17 6.56 9.02 17.12 117.06 -165.05 -105.67 135.36 55.98 37.15 6.86 44.19 7.55 3.89 3.69 2.97 0.02 35.92 1.77 10 D C C 108.70 2.87 12.74 16.56 110.93 -159.26 -97.25 107.66 56.66 37.67 5.67 41.93 9.51 4.78 2.56 2.62 0.01 37.49 1.11 11 L C E 89.39 8.69 9.97 19.82 120.24 -161.98 -107.04 136.55 48.76 44.86 6.38 40.54 5.35 2.41 3.67 2.53 0.01 44.07 1.42 12 Q E E 112.81 5.05 14.32 20.83 120.74 -162.25 -113.89 133.79 38.87 55.09 6.03 33.04 3.77 1.87 4.08 2.19 0.01 52.96 2.10 13 F E E 109.20 9.50 12.82 23.20 120.32 -161.11 -107.64 134.12 38.72 55.12 6.16 30.64 5.42 2.74 4.07 2.47 0.01 52.30 2.35 14 F C E 110.81 7.50 14.77 23.29 115.47 -166.82 -113.05 125.21 50.85 43.92 5.23 39.51 7.64 3.51 3.16 2.39 0.01 41.02 2.75 15 A C C 50.41 10.89 12.23 23.80 117.24 -155.60 -96.85 139.11 62.45 31.81 5.75 45.14 11.82 5.48 2.93 3.02 0.02 28.92 2.67 16 S C C 66.11 6.38 14.36 21.89 113.67 -154.70 -97.57 139.71 68.55 25.85 5.60 38.21 23.38 8.07 2.33 3.26 0.04 21.21 3.50 17 K C C 126.11 6.02 13.24 20.63 114.75 -119.67 -95.84 130.31 73.01 20.57 6.42 43.23 21.66 8.86 2.44 3.99 0.03 15.62 4.17 18 K C C 132.21 5.20 13.37 20.07 110.37 -127.99 -84.87 126.52 80.33 13.75 5.92 39.98 19.52 21.68 1.59 4.17 0.01 10.45 2.59 19 G C C 42.95 7.35 12.63 20.98 113.19 -114.63 -94.62 139.80 84.74 10.63 4.64 39.22 22.82 23.56 0.92 3.72 0.01 7.50 2.25 20 V C C 93.78 6.32 12.28 19.90 112.66 -143.95 -94.05 127.45 81.44 13.21 5.35 38.76 23.74 19.84 1.26 4.10 0.02 8.35 3.94 21 G C C 45.72 5.35 13.33 19.97 112.61 -13.56 93.89 147.53 83.60 11.84 4.56 36.69 28.80 19.16 0.97 3.60 0.01 7.83 2.93 22 S C C 70.23 5.72 12.38 19.49 112.73 -89.06 -94.94 134.22 77.28 16.53 6.19 48.39 19.31 9.34 2.19 4.22 0.02 10.16 6.37 23 T C C 70.02 7.01 10.70 19.14 119.63 -144.98 -97.19 147.03 75.10 17.10 7.80 51.16 14.78 8.36 3.24 4.86 0.03 10.31 7.26 24 K C T 154.10 2.53 12.01 15.85 98.47 -116.01 -74.39 -13.51 75.80 9.96 14.24 22.81 20.33 34.48 4.24 8.70 0.10 6.01 3.34 25 N C T 111.33 3.11 12.57 16.79 100.34 44.94 -90.71 8.55 84.89 3.06 12.05 16.70 22.72 46.00 3.23 8.19 0.02 1.84 1.31 26 G C C 43.64 6.35 12.39 19.97 102.75 -98.08 84.10 5.92 84.21 6.23 9.56 31.60 30.62 23.02 2.21 6.80 0.02 3.43 2.30 27 R C C 122.48 6.53 13.20 21.19 115.69 128.50 -92.28 141.72 72.60 16.34 11.06 48.60 14.29 9.08 5.09 6.19 0.04 9.21 7.50 28 D C C 80.50 8.30 13.73 22.98 109.70 -125.66 -87.45 117.34 70.02 13.81 16.17 48.45 11.68 9.20 7.32 9.36 0.03 9.08 4.88 29 S C C 55.17 9.97 13.45 24.07 105.66 -162.48 -86.55 22.33 61.77 8.52 29.71 36.80 12.80 13.20 9.84 19.35 0.05 5.62 2.32 30 H C C 120.67 5.93 16.76 23.47 104.50 71.94 -88.53 33.00 57.09 8.60 34.32 29.41 14.24 15.39 10.94 22.01 0.15 5.39 2.47 31 A C C 42.12 12.69 14.32 27.36 113.95 107.56 -84.11 138.20 60.14 8.19 31.67 36.76 13.43 11.21 9.61 21.45 0.04 5.39 2.11 32 K C C 96.48 10.80 18.12 29.03 114.73 -144.77 -94.96 130.76 66.42 14.62 18.95 42.95 15.54 8.72 6.74 11.99 0.03 11.20 2.83 33 R C C 100.99 12.75 19.92 32.16 118.47 -143.50 -102.34 135.38 63.07 31.12 5.81 46.83 11.99 4.25 2.74 3.30 0.02 25.51 5.36 34 L C C 38.61 18.25 19.32 36.88 121.18 -153.26 -104.57 139.97 54.57 44.46 0.97 45.02 7.08 1.48 0.37 0.61 0.00 42.76 2.69 35 G E E 12.23 15.89 22.39 37.72 141.26 162.88 -138.73 173.53 24.14 75.05 0.82 19.57 4.32 0.98 0.35 0.47 0.00 72.22 2.09 36 A E E 22.81 19.09 18.33 36.76 119.83 -83.71 -94.64 140.24 14.05 84.71 1.24 12.04 1.76 0.63 0.72 0.54 0.00 82.84 1.47 37 K E E 105.30 9.63 21.65 31.44 103.86 -162.61 -93.22 -21.40 16.86 81.00 2.14 11.97 4.51 1.40 1.17 0.88 0.01 78.30 1.75 38 K E E 77.15 11.83 18.15 30.18 130.84 20.01 -133.73 145.61 41.30 56.12 2.59 37.36 2.84 1.07 1.27 1.30 0.00 52.11 4.03 39 A C C 43.17 10.93 15.93 27.49 121.05 -139.96 -99.08 153.08 85.68 8.23 6.10 81.75 2.23 2.22 0.64 5.11 0.00 7.03 1.02 40 D C T 104.31 5.37 15.37 21.94 104.47 -51.14 -49.58 112.28 92.14 1.24 6.62 0.73 4.67 87.31 0.20 6.12 0.00 0.84 0.15 41 G C T 53.01 3.41 16.24 20.54 95.43 -3.42 83.98 -1.76 93.54 0.62 5.83 1.36 5.61 86.59 0.15 5.73 0.00 0.48 0.07 42 Q C C 81.97 7.71 15.33 24.66 120.73 125.91 -87.61 146.51 89.86 10.10 0.04 83.64 5.90 0.15 0.00 0.04 0.00 9.89 0.38 43 M E E 100.04 8.00 20.20 28.88 115.73 -122.35 -85.10 135.89 6.59 93.41 0.00 6.78 0.15 0.01 0.00 0.00 0.00 91.08 1.97 44 I E E 10.79 23.46 12.12 35.51 124.52 -163.76 -116.49 140.41 2.11 97.89 0.00 2.34 0.02 0.00 0.00 0.00 0.00 94.80 2.85 45 R C C 132.77 3.39 23.97 27.39 123.26 -140.84 -99.04 150.85 70.54 29.45 0.01 72.08 0.32 0.02 0.00 0.00 0.00 26.77 0.81 46 T C T 67.70 12.54 14.90 27.75 109.89 -85.87 -59.06 134.44 99.21 0.69 0.10 0.07 1.49 98.01 0.00 0.06 0.00 0.33 0.04 47 G C T 38.93 6.20 20.35 27.55 96.42 24.99 89.01 -6.73 99.70 0.25 0.06 0.15 2.08 97.53 0.00 0.05 0.00 0.17 0.01 48 Q C C 65.68 10.53 20.33 31.57 117.45 124.32 -79.66 142.92 87.60 12.36 0.04 85.10 2.22 0.08 0.00 0.03 0.00 12.09 0.47 49 I E E 45.15 16.73 20.39 36.86 110.50 -118.74 -79.55 123.95 2.09 97.91 0.00 2.17 0.04 0.00 0.00 0.00 0.00 97.15 0.63 50 I E E 11.65 22.18 21.26 43.31 101.50 176.30 -94.78 -32.99 1.73 98.27 0.00 1.12 0.51 0.02 0.00 0.00 0.00 98.32 0.02 51 Y E E 22.82 19.22 23.36 42.19 140.89 0.56 -153.12 150.54 1.04 98.96 0.01 0.82 0.12 0.03 0.00 0.00 0.00 98.98 0.05 52 R E E 82.78 14.74 22.44 36.31 122.84 -159.24 -122.34 132.18 8.60 91.37 0.03 7.36 0.96 0.13 0.01 0.02 0.00 91.30 0.22 53 Q E E 38.15 17.33 16.60 33.76 115.65 -147.63 -98.96 130.48 41.60 58.01 0.39 34.15 5.76 1.27 0.08 0.35 0.00 57.14 1.25 54 R C C 128.35 7.64 17.59 26.18 114.60 -159.48 -97.85 128.69 73.72 25.20 1.07 34.74 21.57 18.85 0.13 1.13 0.00 21.82 1.76 55 G C S 45.92 4.28 17.70 22.64 111.42 14.98 89.15 -139.80 90.55 8.78 0.67 25.30 42.05 23.17 0.05 0.84 0.00 7.79 0.81 56 T C C 65.23 11.29 13.74 25.50 116.87 37.77 -97.66 138.45 86.11 12.89 1.00 61.60 20.29 4.09 0.14 1.07 0.00 10.97 1.84 57 R C C 149.47 4.72 20.27 25.63 107.40 -128.47 -89.47 82.96 77.14 22.22 0.64 60.52 13.47 2.47 0.13 0.66 0.00 19.32 3.44 58 V C C 25.34 20.77 12.23 32.46 118.98 99.62 -104.30 130.47 64.66 34.98 0.36 54.03 9.23 0.81 0.15 0.26 0.00 22.97 12.55 59 Y C C 115.93 6.72 21.88 29.14 116.67 -154.47 -105.83 131.12 88.55 11.34 0.10 82.56 5.67 0.48 0.02 0.08 0.00 9.28 1.90 60 P C T 61.85 14.14 14.89 28.79 111.28 -114.32 -66.01 139.37 90.69 7.51 1.79 28.78 20.63 41.77 0.25 1.70 0.00 5.33 1.53 61 G C T 33.95 7.65 18.46 27.00 129.76 48.08 108.73 -170.05 91.96 5.83 2.21 20.24 29.34 42.64 0.24 2.21 0.00 3.64 1.69 62 V C T 100.71 4.40 20.79 25.49 96.27 -44.98 -77.67 -21.85 92.48 5.48 2.04 4.61 33.02 55.49 0.14 1.89 0.00 3.68 1.17 63 N C T 45.51 15.39 17.65 32.78 97.93 41.55 -97.37 2.61 89.20 10.17 0.63 9.02 24.37 55.68 0.04 0.72 0.00 9.71 0.47 64 V E E 15.58 22.28 14.79 36.82 125.69 86.11 -112.99 140.04 14.11 85.87 0.02 12.08 1.34 0.09 0.00 0.01 0.00 86.07 0.41 65 G E E 20.49 8.68 24.21 33.63 142.04 164.75 -154.21 175.73 0.67 99.33 0.00 0.60 0.03 0.00 0.00 0.00 0.00 99.32 0.05 66 L E E 81.33 12.33 16.98 29.58 122.65 -106.05 -112.95 137.53 1.29 98.71 0.00 1.31 0.03 0.00 0.00 0.00 0.00 98.25 0.41 67 G C C 19.93 11.43 12.12 24.71 126.11 -143.58 -88.16 176.12 86.24 13.71 0.05 85.15 0.82 0.14 0.01 0.03 0.00 13.25 0.59 68 S C T 101.02 0.77 14.91 14.79 91.97 -88.48 -63.42 -24.02 97.39 0.77 1.84 0.92 10.97 85.15 0.03 2.24 0.00 0.54 0.15 69 D C T 96.70 3.23 15.53 19.49 94.47 52.22 -90.39 6.89 98.15 0.15 1.70 0.55 8.93 88.20 0.02 2.17 0.00 0.09 0.03 70 D C S 57.44 11.82 15.46 27.97 93.66 -107.45 72.50 20.68 95.11 3.05 1.84 20.65 63.70 10.21 0.09 2.13 0.00 2.78 0.45 71 T C C 22.90 12.88 20.25 34.49 120.83 139.02 -91.08 144.82 59.08 40.91 0.01 59.31 0.67 0.03 0.00 0.01 0.00 39.21 0.76 72 L E E 4.43 24.85 19.31 45.09 116.10 -125.84 -90.02 131.56 0.21 99.79 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.74 0.03 73 F E E 46.62 12.65 27.12 40.23 127.52 -171.09 -123.49 141.79 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.93 0.01 74 A E E 5.65 23.58 15.58 39.78 112.37 -116.25 -75.42 132.72 5.14 94.86 0.00 5.20 0.08 0.00 0.00 0.00 0.00 94.42 0.30 75 L C S 76.87 7.44 23.29 31.56 95.59 -160.54 -85.66 -19.50 92.38 7.48 0.15 23.00 63.30 5.13 0.01 0.18 0.00 8.15 0.23 76 S C S 37.90 7.13 22.28 30.19 137.77 23.12 -140.80 163.21 93.30 6.54 0.16 3.14 84.72 5.38 0.01 0.13 0.00 6.33 0.30 77 D C C 85.89 6.97 22.08 29.62 113.00 -88.53 -68.13 139.36 92.66 7.12 0.21 60.01 29.51 2.49 0.01 0.32 0.00 7.32 0.35 78 G E E 10.56 11.36 20.81 34.01 144.01 95.38 164.69 -171.90 23.84 76.14 0.02 18.47 5.00 0.33 0.00 0.02 0.00 75.38 0.79 79 L E E 47.61 10.32 24.54 35.97 123.26 -66.56 -114.58 139.03 1.02 98.98 0.00 1.01 0.04 0.00 0.00 0.00 0.00 98.85 0.11 80 V E E 5.26 25.13 16.41 42.23 118.65 -154.28 -106.36 129.96 0.42 99.58 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.60 0.00 81 K E E 67.21 9.42 26.01 35.79 123.42 -168.41 -117.01 136.68 0.47 99.53 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.00 82 Y E E 29.31 21.64 15.68 36.90 125.40 -163.51 -119.74 137.91 0.85 99.14 0.00 0.71 0.03 0.00 0.00 0.00 0.00 99.25 0.01 83 Q E E 77.22 7.22 21.47 29.39 128.19 -175.29 -128.78 144.27 1.33 98.67 0.01 1.10 0.09 0.01 0.00 0.00 0.00 98.78 0.03 84 K E E 92.61 11.33 13.51 25.51 117.48 -135.02 -98.57 132.19 6.65 93.32 0.03 5.67 0.55 0.07 0.00 0.01 0.00 93.48 0.20 85 F E E 102.62 6.71 12.98 21.31 115.65 -165.06 -106.31 127.92 36.12 63.63 0.25 26.06 8.58 1.49 0.04 0.23 0.00 63.00 0.59 86 G C C 36.47 3.90 12.14 17.53 125.90 -2.31 121.67 172.37 71.94 26.61 1.44 39.18 23.86 8.73 0.18 1.38 0.00 25.49 1.18 87 P C T 110.16 2.33 9.92 13.66 98.20 -73.45 -69.94 -27.19 87.56 2.31 10.14 14.36 24.01 48.96 0.82 9.69 0.00 1.53 0.63 88 K C T 170.17 0.75 10.79 11.06 99.20 37.35 -79.08 -20.25 87.91 1.06 11.03 11.94 20.41 55.03 1.02 10.51 0.00 0.62 0.46 89 Q C T 122.44 2.93 10.54 14.74 101.08 36.97 -88.21 5.50 87.22 2.92 9.86 18.48 20.52 48.13 0.95 9.16 0.00 2.07 0.70 90 G C C 41.28 6.11 11.92 19.47 101.62 -126.19 63.40 17.79 81.77 16.40 1.83 44.02 10.95 25.70 0.24 1.65 0.00 16.63 0.81 91 K E E 96.32 6.99 14.86 23.30 120.04 132.52 -100.97 139.32 42.10 57.68 0.22 35.83 4.60 0.70 0.05 0.19 0.00 57.64 0.99 92 T E E 42.12 14.11 13.82 28.58 121.91 -153.58 -110.31 137.40 13.15 86.81 0.04 11.84 0.72 0.09 0.01 0.02 0.00 87.03 0.29 93 R E E 92.43 9.58 20.52 30.82 125.50 -164.22 -119.58 139.57 2.16 97.83 0.02 1.94 0.14 0.02 0.00 0.01 0.00 97.82 0.07 94 V E E 26.47 19.56 16.33 35.86 122.03 -162.01 -116.32 131.51 1.30 98.69 0.01 1.16 0.09 0.01 0.00 0.00 0.00 98.71 0.03 95 S E E 33.72 9.90 23.22 33.85 124.48 -169.38 -118.42 140.40 2.23 97.77 0.00 1.95 0.10 0.01 0.00 0.00 0.00 97.92 0.03 96 V E E 34.22 17.93 16.60 34.66 118.32 -145.14 -103.51 130.41 4.28 95.70 0.02 3.71 0.36 0.04 0.01 0.01 0.00 95.71 0.16 97 V E E 45.17 11.06 18.21 30.43 122.90 -168.15 -113.45 139.13 15.14 84.43 0.42 13.24 1.56 0.37 0.17 0.26 0.00 83.58 0.82 98 K E E 110.70 7.95 16.67 25.56 114.36 -122.05 -79.94 136.18 37.55 60.75 1.69 31.79 4.39 1.39 0.46 1.17 0.00 59.75 1.06 99 H C C 92.48 10.39 11.96 23.06 116.34 -131.70 -92.05 135.55 76.35 15.58 8.07 55.78 13.59 6.64 1.75 6.28 0.00 14.67 1.29 100 K C C 137.00 3.89 12.39 17.99 113.24 -139.02 -90.34 128.90 79.26 11.23 9.50 54.37 15.49 9.42 2.06 7.61 0.00 9.39 1.65 101 L C C 105.16 5.57 9.20 16.53 114.69 -152.87 -94.13 134.55 81.38 9.52 9.10 53.74 17.84 10.10 2.19 6.87 0.00 7.40 1.85 102 D C C 116.94 1.97 10.68 14.06 111.50 -129.03 -89.40 123.07 91.26 5.07 3.67 84.42 1.71 5.95 1.18 1.78 0.00 3.70 1.26 103 A C C 73.07 5.98 9.91 17.27 109.68 -141.50 -84.09 115.11 99.92 0.06 0.02 99.84 0.08 0.04 0.01 0.00 0.00 0.03 0.00