# 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 127.44 4.22 11.52 17.27 112.61 -140.70 -88.29 124.93 99.91 0.08 0.01 99.86 0.08 0.02 0.00 0.00 0.00 0.04 0.01 1 V C C 94.78 5.45 8.26 15.49 117.66 -152.11 -95.03 137.09 92.48 6.62 0.90 91.86 0.76 0.66 0.43 0.25 0.00 3.66 2.37 2 K C C 147.91 2.27 11.00 14.83 115.72 -123.23 -84.57 141.89 87.27 10.46 2.27 78.40 6.24 2.19 1.07 1.17 0.00 6.57 4.37 3 K C C 133.51 4.85 9.45 16.25 113.87 -110.99 -81.09 134.86 88.34 7.40 4.26 77.52 6.76 3.80 1.57 2.66 0.00 4.59 3.09 4 A C C 63.05 6.56 9.66 17.70 109.74 -141.36 -87.32 129.17 90.80 3.18 6.03 46.66 21.38 23.11 1.68 4.16 0.00 1.84 1.17 5 H C C 146.15 2.29 12.02 15.32 105.30 -116.13 -95.50 51.45 90.27 2.79 6.95 36.64 28.45 25.72 2.23 4.27 0.01 1.33 1.35 6 S C C 42.57 6.78 9.33 17.91 122.37 132.99 -93.59 165.58 82.97 2.23 14.80 42.44 35.21 5.70 10.82 3.54 0.00 0.72 1.57 7 F C H 142.48 3.07 12.87 17.15 93.16 -99.76 -62.99 -30.71 49.72 0.94 49.33 7.49 9.30 32.32 33.42 16.17 0.20 0.51 0.59 8 R H H 124.85 6.33 11.42 19.04 93.85 55.39 -77.24 -18.93 46.54 1.13 52.33 8.02 7.32 30.18 36.79 16.25 0.19 0.66 0.59 9 R H H 125.12 5.69 12.51 19.73 94.18 74.97 -66.97 -33.58 36.42 1.91 61.66 13.93 8.35 15.13 45.23 15.31 0.14 1.14 0.76 10 K H H 139.58 2.04 15.05 17.21 95.51 49.97 -73.70 -14.95 44.86 1.91 53.23 20.59 9.64 16.20 41.42 10.22 0.07 1.02 0.84 11 T H H 53.33 7.67 12.44 21.50 97.92 63.44 -83.01 -20.62 44.62 2.58 52.80 25.51 9.89 11.26 41.29 9.58 0.06 1.30 1.12 12 R H H 111.78 9.28 12.42 22.48 93.62 73.57 -64.20 -36.96 34.07 1.79 64.13 13.37 7.05 14.60 48.15 14.98 0.12 1.03 0.69 13 G H H 48.14 2.86 15.29 18.91 92.52 56.36 -66.32 -30.16 34.90 1.51 63.59 10.54 6.30 17.57 45.55 18.41 0.14 0.94 0.55 14 K H H 128.39 3.42 15.44 19.67 93.57 54.43 -73.97 -24.41 39.25 2.26 58.49 10.39 8.18 20.75 41.41 16.69 0.28 1.50 0.80 15 L C H 65.13 11.74 11.88 24.22 99.06 53.52 -93.82 0.12 51.08 7.75 41.18 18.44 14.56 20.93 28.64 9.18 0.66 3.67 3.92 16 S C C 57.53 8.50 12.74 22.44 115.05 101.16 -88.07 139.44 80.47 8.57 10.96 50.67 20.06 9.51 7.79 3.15 0.02 3.86 4.94 17 K C C 107.81 7.54 12.09 21.05 120.07 -158.07 -103.42 142.48 91.87 5.57 2.56 57.24 32.00 2.59 1.73 0.84 0.00 2.43 3.17 18 H C C 129.27 3.36 13.97 18.56 114.11 -112.68 -79.92 133.76 97.88 1.08 1.04 88.03 8.82 1.04 0.62 0.35 0.00 0.52 0.64 19 P C C 77.77 8.49 9.79 19.47 99.28 -118.78 -65.36 -23.54 67.28 1.76 30.96 39.43 8.81 18.98 9.22 21.72 0.00 0.97 0.87 20 R C C 146.21 4.76 10.39 16.62 107.37 46.73 -85.91 82.24 62.66 3.08 34.26 30.91 12.03 20.34 10.00 23.62 0.01 1.70 1.40 21 R C C 169.22 2.23 11.96 15.32 104.83 67.56 -84.42 19.11 61.56 4.35 34.09 33.49 13.74 14.60 8.83 25.01 0.01 2.68 1.63 22 R C C 156.66 3.66 9.94 15.26 110.11 53.27 -94.76 112.88 78.77 3.13 18.10 34.53 18.42 26.72 6.22 10.90 0.01 1.76 1.43 23 G C C 45.05 3.68 11.78 17.03 122.76 -68.27 102.97 -176.51 93.48 2.37 4.14 43.97 27.84 21.91 0.95 3.07 0.00 1.26 1.00 24 L C C 114.34 3.98 11.81 17.54 116.68 -55.26 -91.25 138.09 95.05 4.30 0.66 60.47 33.72 1.06 0.31 0.31 0.00 1.62 2.50 25 P C C 74.70 7.08 10.57 19.26 115.07 -106.73 -69.71 147.41 97.73 1.40 0.87 84.53 12.03 1.28 0.43 0.38 0.00 0.71 0.64 26 P C C 93.79 3.64 13.23 18.17 110.17 -104.12 -68.23 148.87 92.40 2.72 4.88 80.32 8.34 3.74 2.40 2.27 0.00 1.33 1.61 27 L C C 99.29 7.81 10.02 18.99 109.47 -119.24 -78.24 120.73 74.24 8.08 17.68 58.29 9.37 5.89 9.12 8.86 0.01 4.50 3.97 28 T C C 76.98 6.42 11.95 19.61 110.65 94.96 -93.63 125.56 65.12 10.42 24.46 48.79 9.74 6.74 10.57 13.82 0.01 7.56 2.78 29 R C C 153.05 4.53 13.04 18.99 100.47 -131.53 -82.46 -13.98 54.39 11.65 33.96 28.14 17.42 11.19 11.42 20.62 0.06 9.06 2.08 30 F C C 119.23 6.83 13.01 20.98 102.25 74.53 -85.40 -5.14 52.90 14.76 32.34 27.09 16.29 11.97 10.15 20.40 0.09 11.65 2.35 31 L C C 90.40 9.12 12.38 22.35 111.27 73.38 -93.53 122.59 59.54 20.11 20.35 43.61 10.12 6.66 6.95 13.10 0.02 16.15 3.40 32 Q C C 81.00 9.34 14.57 25.00 123.12 -171.50 -113.20 141.40 71.73 26.02 2.25 58.69 11.11 1.91 0.96 1.44 0.00 22.63 3.26 33 E C C 127.42 4.48 18.80 24.73 114.86 -126.41 -88.35 129.53 70.12 29.18 0.70 65.78 3.33 0.55 0.35 0.38 0.00 23.89 5.71 34 F C C 27.61 20.10 10.00 29.30 128.97 -175.69 -123.87 150.45 70.21 29.70 0.09 71.35 1.17 0.05 0.06 0.03 0.00 14.32 13.02 35 E C C 120.41 2.17 21.98 23.20 123.09 -132.32 -97.87 152.50 98.48 1.50 0.03 98.51 0.38 0.03 0.01 0.01 0.00 0.68 0.37 36 V C T 90.27 8.98 13.28 23.55 109.56 -84.09 -59.53 134.65 99.76 0.16 0.09 0.08 0.90 98.90 0.00 0.04 0.00 0.05 0.04 37 G C T 45.08 3.77 18.24 22.90 95.84 24.35 90.22 -6.94 99.92 0.04 0.04 0.11 0.95 98.91 0.00 0.02 0.00 0.02 0.00 38 Q C C 62.80 10.03 15.53 27.07 118.63 126.33 -75.07 147.19 95.97 4.02 0.01 93.05 3.03 0.03 0.00 0.00 0.00 3.76 0.13 39 K E E 101.79 8.33 21.14 30.10 116.82 -124.48 -91.22 135.72 3.87 96.13 0.00 3.97 0.06 0.00 0.00 0.00 0.00 95.17 0.79 40 V E E 6.78 23.49 15.34 39.09 131.49 -174.91 -130.03 151.27 1.12 98.88 0.00 1.07 0.02 0.00 0.00 0.00 0.00 98.89 0.02 41 H E E 57.66 9.58 25.72 36.26 118.19 -135.13 -105.49 130.35 1.49 98.51 0.00 1.37 0.05 0.00 0.00 0.00 0.00 98.56 0.02 42 I E E 4.42 25.56 17.28 43.97 116.81 -155.36 -106.28 126.11 2.94 97.06 0.00 2.72 0.11 0.01 0.00 0.00 0.00 97.04 0.13 43 V E E 47.12 9.71 25.90 36.20 117.14 -164.14 -111.44 124.62 21.30 78.69 0.01 18.14 2.20 0.06 0.00 0.01 0.00 79.35 0.25 44 I C E 20.66 21.16 15.58 36.47 120.64 -165.33 -107.55 134.54 52.40 47.58 0.02 45.69 6.31 0.08 0.00 0.01 0.00 47.04 0.86 45 E C C 66.80 8.34 19.72 29.20 108.50 -121.31 -79.06 121.43 99.31 0.66 0.03 98.66 0.80 0.06 0.01 0.01 0.00 0.38 0.08 46 P H G 61.98 11.29 13.91 26.36 92.06 -141.58 -62.09 -26.09 31.92 0.15 67.93 1.93 2.42 26.71 7.55 61.23 0.00 0.09 0.07 47 S H G 73.81 3.52 16.71 20.98 91.57 64.91 -70.98 -17.76 28.85 0.19 70.96 1.38 2.19 24.60 8.37 63.26 0.00 0.11 0.09 48 Y H G 97.22 9.88 13.83 24.49 99.29 52.69 -91.77 -18.04 26.79 0.94 72.27 6.71 6.21 14.85 8.97 62.38 0.01 0.55 0.33 49 H C C 57.43 15.74 10.51 25.46 104.44 56.02 -101.42 30.71 60.30 2.90 36.81 28.74 12.59 19.74 9.26 26.36 0.02 1.33 1.96 50 K C T 160.01 1.94 16.89 19.32 103.57 -131.11 -41.87 62.04 89.40 2.34 8.26 12.94 13.93 62.34 2.48 5.58 0.01 1.26 1.48 51 G C T 44.72 5.99 15.42 22.30 100.71 -9.51 86.17 1.65 96.34 1.34 2.33 13.92 22.77 59.60 0.31 2.10 0.00 0.79 0.51 52 M C C 88.44 9.06 15.95 25.91 119.66 115.07 -97.93 137.03 95.77 4.06 0.18 73.41 21.76 0.62 0.05 0.13 0.00 1.81 2.21 53 P C C 51.13 15.04 14.25 29.10 115.14 -111.90 -68.91 145.74 95.77 4.14 0.09 89.90 5.53 0.19 0.04 0.04 0.00 1.43 2.87 54 D C C 42.64 13.34 15.41 29.43 111.81 -115.97 -96.92 121.39 99.26 0.71 0.03 97.25 1.99 0.05 0.01 0.01 0.00 0.21 0.49 55 P H G 89.14 5.71 17.49 24.73 91.36 -142.99 -62.96 -25.03 27.28 0.15 72.57 1.39 1.93 21.20 0.83 74.52 0.00 0.09 0.04 56 R H G 117.50 8.17 18.67 27.70 90.70 67.85 -69.25 -17.73 27.04 0.15 72.81 0.68 1.70 22.62 0.77 74.11 0.00 0.09 0.04 57 F H G 14.20 22.08 13.71 36.12 96.14 52.23 -98.39 -2.77 23.21 0.49 76.30 4.42 3.44 12.96 1.03 77.70 0.00 0.29 0.14 58 H C T 83.89 12.15 17.50 30.32 111.85 119.73 -64.03 132.33 98.50 0.44 1.06 2.11 2.08 94.63 0.16 0.61 0.00 0.20 0.21 59 G C T 40.90 6.56 21.23 28.61 94.71 20.61 82.88 -2.99 99.50 0.22 0.28 0.94 3.05 95.58 0.02 0.24 0.00 0.15 0.03 60 R C C 81.75 13.07 19.79 32.87 122.14 118.03 -89.93 146.09 89.04 10.90 0.05 81.43 7.60 0.25 0.01 0.05 0.00 9.82 0.85 61 T E E 53.85 12.94 22.88 35.46 124.87 -140.99 -107.59 141.70 15.07 84.92 0.01 14.53 0.55 0.01 0.00 0.01 0.00 83.25 1.65 62 G E E 5.98 19.71 19.00 38.49 142.30 156.82 -151.67 170.46 2.31 97.69 0.00 1.89 0.19 0.00 0.00 0.00 0.00 97.89 0.03 63 T E E 58.95 7.01 25.90 33.83 121.52 -96.60 -111.72 138.00 0.26 99.74 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.01 64 V E E 20.28 22.01 13.87 36.23 109.36 -116.72 -74.08 123.63 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 65 V E E 69.54 6.92 20.79 28.73 101.66 174.54 -103.66 -18.71 0.91 99.09 0.00 0.69 0.06 0.00 0.00 0.00 0.00 99.24 0.01 66 G E E 27.58 4.88 22.96 28.62 144.36 -30.67 169.70 171.98 2.80 97.19 0.00 1.70 0.70 0.04 0.00 0.00 0.00 97.55 0.01 67 K E E 104.32 13.40 12.48 26.18 125.31 -120.28 -125.89 137.55 4.99 95.00 0.01 4.49 0.29 0.03 0.00 0.01 0.00 95.02 0.17 68 R E E 136.63 4.00 14.61 20.26 116.48 -175.51 -129.33 111.47 21.00 78.86 0.14 18.13 2.33 0.58 0.03 0.11 0.00 77.57 1.25 69 G C T 58.16 0.97 16.29 16.35 111.59 -51.89 62.19 -132.58 99.28 0.46 0.26 0.68 19.41 79.24 0.00 0.29 0.00 0.32 0.05 70 D C T 96.43 6.76 15.17 23.29 95.76 -17.27 -97.12 5.78 99.54 0.31 0.15 0.61 19.97 79.00 0.00 0.18 0.00 0.21 0.03 71 A E E 18.26 14.75 15.80 31.78 129.99 86.87 -110.44 153.84 6.49 93.50 0.01 4.70 1.14 0.05 0.00 0.00 0.00 93.98 0.12 72 Y E E 13.86 20.06 17.91 38.75 124.81 -146.33 -117.77 140.58 0.22 99.78 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.78 0.00 73 I E E 29.22 11.16 24.87 37.63 116.75 -142.42 -103.23 127.50 0.05 99.95 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 74 V E E 4.05 24.25 17.70 42.77 122.27 -167.74 -115.79 133.04 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 75 Q E E 56.07 8.87 25.19 34.91 115.42 -146.98 -99.58 126.10 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.92 0.00 76 I E E 9.38 21.71 14.47 36.58 127.17 -175.23 -123.33 144.44 0.36 99.64 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.68 0.00 77 T E E 58.70 6.91 18.77 26.95 116.14 -139.06 -104.51 125.37 2.70 97.30 0.01 2.27 0.16 0.01 0.00 0.00 0.00 97.51 0.04 78 D E E 50.65 12.22 10.93 23.81 114.78 174.18 -129.78 104.07 12.00 87.87 0.13 8.20 2.88 0.92 0.02 0.12 0.00 87.30 0.56 79 G C T 63.63 1.07 13.14 14.03 95.69 -40.51 63.06 10.90 99.38 0.30 0.31 0.81 8.24 90.35 0.01 0.34 0.00 0.22 0.04 80 G C T 68.26 0.49 12.49 11.63 96.21 -39.51 80.89 3.11 99.60 0.17 0.23 0.94 8.50 90.15 0.01 0.26 0.00 0.12 0.02 81 K E E 121.96 2.83 12.23 16.93 123.64 96.43 -109.02 143.97 11.62 88.36 0.02 7.95 3.62 0.21 0.00 0.02 0.00 87.70 0.50 82 V E E 89.56 7.49 12.19 21.40 116.74 -129.76 -95.98 130.49 5.31 94.69 0.00 4.91 0.14 0.00 0.00 0.00 0.00 94.89 0.05 83 K E E 64.05 10.83 14.72 27.02 128.59 -174.57 -126.75 145.88 3.09 96.91 0.00 2.87 0.05 0.00 0.00 0.00 0.00 97.06 0.01 84 T E E 69.92 9.87 18.20 28.98 121.81 -146.56 -113.47 132.98 0.40 99.59 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.60 0.00 85 F E E 24.65 19.18 17.23 36.59 125.37 -172.02 -123.59 136.78 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 86 F E E 77.18 10.69 24.44 35.44 114.93 -144.48 -98.40 124.08 0.32 99.68 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.70 0.00 87 I E E 6.36 24.13 17.28 41.73 129.83 -175.95 -126.74 145.44 8.16 91.84 0.00 8.15 0.14 0.00 0.00 0.00 0.00 91.47 0.25 88 H C C 55.65 10.21 24.86 35.69 114.01 -123.22 -82.09 135.45 93.15 6.80 0.05 92.34 0.89 0.06 0.01 0.03 0.00 6.53 0.14 89 P H G 25.84 20.32 16.63 36.83 91.53 -120.66 -59.07 -30.30 8.33 0.39 91.29 1.81 1.06 3.83 0.64 92.29 0.00 0.35 0.01 90 V H G 76.18 8.13 22.83 32.03 89.53 67.48 -67.09 -19.66 7.77 0.36 91.87 0.67 0.87 4.99 0.40 92.74 0.00 0.31 0.01 91 H H G 32.62 17.63 19.10 37.17 95.56 55.14 -94.21 -3.02 7.83 0.62 91.56 1.01 1.05 4.49 0.39 92.46 0.00 0.58 0.01 92 L E E 8.51 25.23 13.88 39.24 121.58 90.46 -100.20 137.05 25.48 74.16 0.36 22.72 2.89 0.18 0.07 0.33 0.00 72.35 1.48 93 R E E 115.20 5.78 24.08 30.73 128.45 -173.40 -129.62 142.61 4.62 95.37 0.01 4.30 0.33 0.02 0.00 0.00 0.00 95.01 0.34 94 P E E 71.06 11.43 16.31 28.01 114.24 -105.23 -64.99 143.89 7.14 92.82 0.04 6.65 0.37 0.05 0.01 0.02 0.00 92.14 0.76 95 Q C C 72.50 13.41 10.31 23.66 115.94 -132.18 -91.05 137.32 77.47 22.00 0.53 70.62 4.16 1.54 0.15 0.39 0.00 21.55 1.59 96 K C C 164.28 1.47 13.14 15.43 110.74 -130.82 -89.55 127.18 88.45 10.99 0.56 79.72 4.29 4.04 0.14 0.41 0.00 9.97 1.44 97 G C C 55.78 2.44 13.62 16.99 108.20 13.77 86.31 -4.65 99.84 0.14 0.02 98.91 0.62 0.35 0.01 0.01 0.00 0.10 0.02