# 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 95.81 10.23 15.58 26.24 118.57 -160.59 -100.72 135.31 99.44 0.52 0.04 99.27 0.21 0.12 0.01 0.01 0.00 0.31 0.08 1 G C C 37.48 7.05 14.85 22.97 125.38 -76.68 -115.68 159.02 91.04 7.61 1.35 82.41 4.95 3.65 0.56 0.68 0.00 3.85 3.91 2 D C C 91.84 5.23 15.27 21.83 116.88 -77.93 -96.96 132.90 92.35 4.76 2.89 71.15 17.38 3.61 1.21 1.66 0.00 2.43 2.56 3 P C C 59.81 13.41 10.74 24.09 102.80 -117.33 -67.29 5.91 74.27 4.03 21.70 42.75 10.18 21.56 4.70 16.79 0.00 2.21 1.79 4 E C C 123.96 5.14 13.55 20.03 101.45 63.99 -79.27 -9.15 69.85 5.26 24.89 28.48 15.08 27.56 5.57 17.97 0.05 2.45 2.83 5 S C T 78.36 3.95 13.18 18.46 101.44 43.81 -84.96 13.04 72.13 3.02 24.85 23.38 20.22 29.93 5.32 17.89 0.04 1.40 1.83 6 G C T 51.38 4.95 14.13 20.25 101.49 -64.11 77.21 8.41 84.57 1.79 13.64 21.10 24.46 39.53 3.58 9.30 0.02 0.82 1.18 7 G C T 39.51 7.88 14.72 23.49 112.42 -17.14 80.77 162.64 89.37 3.63 7.00 30.14 27.95 31.65 1.59 5.05 0.01 1.65 1.95 8 C C C 67.87 9.84 16.24 26.38 114.20 -126.16 -91.25 138.95 93.59 5.04 1.37 54.39 30.63 8.43 0.27 1.22 0.00 2.17 2.89 9 I C C 29.91 17.89 13.13 31.05 119.07 -121.64 -102.17 131.27 94.82 5.10 0.08 70.12 24.69 0.16 0.04 0.03 0.00 1.46 3.49 10 P C C 49.54 6.26 20.16 27.58 113.53 -106.67 -65.32 146.26 99.74 0.24 0.01 99.30 0.51 0.03 0.00 0.01 0.00 0.10 0.06 11 P H G 59.10 14.84 13.18 27.91 91.55 -114.67 -57.98 -33.58 9.99 0.13 89.88 1.30 0.91 6.13 0.70 90.86 0.00 0.09 0.01 12 D H G 108.89 3.22 18.87 23.08 91.09 61.32 -70.34 -14.65 9.76 0.19 90.05 0.65 0.85 7.02 0.67 90.66 0.00 0.14 0.01 13 Q H G 76.95 9.78 18.16 28.71 97.27 58.09 -94.99 -1.06 9.73 0.47 89.81 1.79 1.48 5.10 0.64 90.59 0.00 0.38 0.02 14 Q C C 27.25 20.78 15.79 36.02 117.41 97.80 -88.81 135.07 50.84 47.50 1.66 45.23 5.70 0.66 0.42 1.15 0.00 44.64 2.21 15 R E E 80.82 11.98 25.71 37.73 129.22 -166.88 -131.54 140.64 11.09 88.73 0.18 11.22 0.37 0.07 0.10 0.08 0.00 86.05 2.10 16 L E E 5.69 24.85 20.20 45.40 115.41 -134.43 -95.83 129.53 4.19 95.76 0.04 3.64 0.33 0.03 0.01 0.02 0.00 95.78 0.19 17 I E E 23.42 14.96 24.58 40.01 121.66 -164.49 -115.19 132.46 3.38 96.56 0.06 2.93 0.40 0.06 0.02 0.03 0.00 96.41 0.15 18 F E E 19.63 21.02 17.58 38.30 121.24 -169.96 -123.26 126.79 2.95 96.84 0.21 1.94 0.91 0.46 0.07 0.15 0.00 94.74 1.73 19 A C T 46.27 12.98 17.42 30.76 94.07 -21.40 53.49 44.59 99.00 0.58 0.42 0.29 2.55 96.45 0.02 0.27 0.00 0.38 0.04 20 G C T 52.40 4.73 18.40 24.06 95.02 -47.13 81.13 1.85 99.61 0.13 0.26 0.39 3.19 96.07 0.01 0.23 0.00 0.10 0.01 21 K E E 108.41 5.29 17.91 24.86 125.69 104.90 -112.62 144.73 7.92 91.96 0.11 4.42 3.74 0.70 0.03 0.10 0.00 88.30 2.72 22 Q E E 102.04 7.79 18.45 27.28 113.78 -113.41 -78.43 135.77 9.76 90.18 0.06 8.55 0.81 0.18 0.02 0.04 0.00 85.80 4.59 23 L C C 18.19 22.08 9.54 30.75 114.90 -118.42 -80.03 137.44 89.70 10.17 0.13 88.46 1.35 0.21 0.03 0.08 0.00 9.07 0.81 24 E C C 115.84 3.87 18.29 23.01 120.82 -149.68 -96.30 148.63 93.95 5.55 0.50 86.08 5.05 2.14 0.13 0.34 0.00 2.11 4.14 25 D C T 119.88 2.73 14.91 18.46 101.41 -26.65 -27.21 85.95 98.86 0.28 0.86 0.49 4.23 94.22 0.08 0.71 0.00 0.13 0.14 26 G C T 54.91 3.22 15.78 19.94 95.62 -12.17 83.97 1.27 99.15 0.11 0.74 1.18 4.73 93.08 0.04 0.86 0.00 0.07 0.04 27 R C C 89.80 8.97 15.07 25.44 122.77 115.10 -97.12 147.04 84.70 15.05 0.25 69.24 14.68 0.59 0.09 0.17 0.00 6.00 9.22 28 T C C 30.42 10.12 20.32 31.64 126.57 -136.59 -97.18 162.62 54.65 45.19 0.16 49.62 1.80 0.08 0.10 0.04 0.00 5.51 42.84 29 L H G 10.04 24.18 13.59 38.15 90.98 -106.22 -59.08 -36.00 35.48 0.63 63.89 3.67 3.36 27.51 4.17 60.63 0.00 0.38 0.28 30 S H G 61.53 8.45 18.68 27.84 91.62 59.02 -65.26 -32.11 28.24 0.13 71.64 0.76 1.43 24.77 4.37 68.54 0.00 0.08 0.04 31 D H G 96.82 3.54 19.99 23.92 92.32 57.46 -74.71 -19.24 24.13 0.13 75.75 0.88 1.70 20.79 5.36 71.15 0.00 0.07 0.04 32 Y C T 45.46 17.75 13.58 31.06 100.11 50.56 -100.57 7.06 57.71 0.75 41.54 5.00 14.92 37.03 6.47 35.51 0.04 0.35 0.68 33 N C T 110.33 3.49 23.14 26.99 95.00 -118.12 62.44 41.74 97.85 0.81 1.34 24.52 5.66 67.85 0.24 1.01 0.00 0.47 0.24 34 I C C 9.72 25.23 9.40 34.11 116.06 171.31 -81.31 134.25 85.76 13.97 0.27 83.99 1.53 0.12 0.15 0.06 0.00 3.58 10.55 35 Q C C 94.17 3.85 23.19 26.72 126.64 -151.53 -102.68 161.54 96.39 3.40 0.21 96.15 0.57 0.19 0.07 0.06 0.00 1.28 1.68 36 K C T 125.03 8.66 15.80 25.37 98.31 -95.23 -60.96 -27.87 97.90 0.74 1.36 0.84 6.21 91.20 0.13 0.99 0.00 0.44 0.19 37 E C T 132.65 3.37 20.24 23.73 94.99 37.61 -82.99 0.76 98.00 0.79 1.22 1.30 6.69 90.13 0.07 1.08 0.00 0.64 0.09 38 S C C 15.04 17.12 14.77 32.55 118.48 124.30 -74.50 149.79 93.39 6.29 0.33 79.03 13.83 0.52 0.06 0.30 0.00 5.74 0.52 39 T E E 38.52 11.39 24.59 36.64 120.63 -132.82 -107.34 135.44 15.83 84.07 0.10 15.29 0.74 0.10 0.03 0.06 0.00 82.25 1.52 40 L E E 3.78 25.80 19.19 45.60 122.57 -162.52 -114.09 133.94 2.02 97.96 0.02 1.88 0.09 0.01 0.00 0.01 0.00 97.89 0.11 41 H E E 37.93 14.73 27.38 42.21 118.05 -158.62 -109.03 127.18 1.25 98.73 0.01 1.15 0.06 0.01 0.00 0.00 0.00 98.75 0.02 42 L E E 4.60 25.03 22.41 47.48 119.03 -161.26 -107.00 128.51 2.36 97.59 0.04 2.22 0.10 0.01 0.01 0.01 0.00 97.57 0.06 43 V E E 17.79 16.51 26.28 42.89 118.77 -164.99 -115.38 125.17 5.77 94.11 0.12 5.32 0.31 0.05 0.04 0.04 0.00 94.00 0.24 44 L E E 12.03 22.19 20.97 42.84 119.41 -164.88 -106.15 131.88 15.94 83.31 0.76 13.81 1.60 0.43 0.30 0.31 0.00 83.00 0.55 45 R E E 86.00 11.48 23.67 35.03 114.57 -150.03 -98.63 122.98 34.99 63.53 1.47 28.25 5.47 1.49 0.53 0.83 0.00 62.43 1.00 46 L C E 36.25 17.97 14.33 31.86 118.62 -162.34 -103.12 137.76 49.76 47.11 3.14 39.56 7.48 3.33 1.08 2.17 0.01 42.71 3.66 47 R C T 144.49 5.85 16.85 23.79 109.84 -121.13 -80.23 122.42 62.94 32.25 4.81 13.44 14.11 38.06 0.81 3.99 0.06 25.51 4.03 48 G C T 54.99 3.08 16.63 20.15 102.25 7.58 79.94 -3.05 88.18 7.22 4.61 9.55 21.20 57.23 0.46 4.33 0.00 6.23 0.99 49 G C C 31.24 8.56 15.91 25.34 131.16 -35.23 138.48 -175.97 68.42 28.20 3.38 29.01 25.99 15.96 0.52 2.93 0.02 23.24 2.33 50 I C C 84.17 10.13 16.04 26.95 118.72 -73.27 -103.31 133.27 51.78 47.16 1.06 41.18 7.46 1.80 0.53 0.73 0.00 38.64 9.65 51 I C C 55.92 14.30 14.77 29.49 115.56 -155.07 -103.19 129.03 65.14 33.81 1.04 51.46 11.48 1.56 0.55 0.64 0.00 27.92 6.38 52 E C C 100.37 9.12 18.25 28.08 118.52 -144.79 -102.20 131.64 86.61 11.57 1.83 67.39 17.34 2.04 1.20 0.72 0.00 9.76 1.55 53 P C C 51.73 10.75 16.96 28.35 114.13 -81.35 -71.80 157.81 84.60 5.45 9.95 60.00 16.42 7.52 8.56 2.32 0.01 3.76 1.42 54 S C C 43.14 7.50 21.34 29.24 118.24 -107.75 -81.46 155.96 82.92 4.81 12.27 74.52 4.30 3.69 11.36 1.61 0.00 2.20 2.32 55 L H H 22.85 22.41 14.91 36.62 92.51 -114.49 -61.58 -37.36 4.74 0.17 95.09 2.31 1.07 1.82 93.44 1.21 0.01 0.09 0.04 56 R H H 120.28 8.58 19.86 29.03 91.62 55.24 -62.88 -41.33 2.50 0.24 97.26 1.07 0.45 1.27 95.66 1.33 0.01 0.18 0.03 57 Q H H 89.55 3.24 22.13 24.75 91.99 49.06 -65.33 -41.07 1.70 0.34 97.96 0.79 0.30 0.85 96.04 1.65 0.01 0.33 0.03 58 L H H 14.10 16.95 16.89 34.60 91.92 49.77 -64.68 -42.26 1.50 0.31 98.19 0.63 0.26 0.78 96.92 1.11 0.01 0.25 0.03 59 A H H 10.25 18.95 14.13 33.45 91.73 52.14 -63.33 -41.32 3.20 0.27 96.53 1.05 0.34 2.01 94.84 1.47 0.02 0.21 0.05 60 Q H H 121.96 2.46 18.87 21.46 92.22 50.28 -65.89 -38.80 6.54 0.09 93.37 0.85 0.42 5.20 91.79 1.63 0.02 0.06 0.03 61 K H H 126.67 3.50 18.08 22.26 91.82 51.12 -67.47 -33.27 12.07 0.07 87.86 0.65 0.63 10.77 86.82 1.03 0.03 0.03 0.03 62 Y C T 53.88 15.79 12.95 28.73 99.67 39.42 -99.38 7.52 65.75 0.43 33.82 3.64 5.73 53.43 35.00 1.74 0.03 0.16 0.27 63 N C T 119.38 2.58 20.47 23.24 95.16 -123.71 54.22 48.33 95.85 0.33 3.82 15.64 3.82 76.50 3.18 0.58 0.00 0.17 0.10 64 C C C 21.67 20.57 9.92 29.26 115.36 162.79 -97.96 134.75 88.83 3.91 7.25 79.97 4.07 5.06 3.09 3.80 0.00 2.52 1.49 65 D C C 102.63 4.07 21.24 25.84 97.41 -154.23 -91.45 -4.84 80.68 7.62 11.70 43.57 23.20 14.41 3.90 7.73 0.01 5.72 1.46 66 K C C 80.14 11.95 20.25 32.06 127.31 67.94 -114.86 142.87 62.47 23.47 14.06 30.00 21.08 13.18 4.35 8.85 0.06 20.31 2.17 67 M C E 47.93 17.80 21.35 38.29 118.01 -128.51 -96.81 134.76 47.34 40.83 11.83 35.86 7.50 4.52 5.92 6.17 0.03 35.91 4.09 68 I E E 12.51 22.16 20.99 42.81 124.83 -165.30 -118.00 142.18 45.31 51.67 3.02 37.41 5.29 1.15 2.56 1.09 0.01 39.52 12.97 69 C C C 15.57 17.03 21.57 38.82 115.95 -115.35 -74.75 147.78 79.76 19.13 1.11 77.12 2.29 0.47 0.76 0.33 0.00 16.62 2.42 70 R H H 101.09 13.61 19.30 32.68 91.88 -115.05 -59.47 -34.35 27.23 1.27 71.50 4.29 4.06 17.14 39.23 33.91 0.15 0.89 0.33 71 K H H 112.18 6.41 22.76 29.95 91.02 60.00 -67.32 -28.85 26.16 0.84 73.00 2.18 2.83 18.87 39.37 35.74 0.20 0.56 0.25 72 C H H 16.27 18.95 17.86 36.72 96.37 48.51 -87.50 -20.24 25.40 1.36 73.23 3.96 3.49 15.87 39.24 36.01 0.13 0.94 0.36 73 Y H H 35.95 21.42 17.53 37.61 95.19 78.40 -73.30 -30.56 35.88 8.49 55.62 18.94 7.41 10.71 36.67 18.10 0.26 5.36 2.55 74 A C T 48.70 10.38 20.90 31.23 94.65 61.17 -72.94 -22.26 56.60 7.86 35.53 18.10 11.92 26.58 21.03 14.53 0.33 5.45 2.07 75 R C T 121.25 7.41 22.00 29.74 111.08 44.08 -100.24 82.41 58.04 10.83 31.14 21.62 12.35 25.28 15.61 14.89 0.21 7.39 2.65 76 L C C 32.28 21.24 14.81 34.88 115.09 -121.30 -80.70 133.93 79.36 10.17 10.47 49.17 25.16 4.67 7.13 3.40 0.06 4.28 6.13 77 H C C 57.84 13.10 17.65 31.16 112.89 -112.23 -74.06 137.84 97.39 0.46 2.15 91.69 4.88 1.02 1.45 0.48 0.00 0.18 0.30 78 P H G 79.95 6.75 18.85 26.43 92.96 -120.91 -60.63 -30.79 45.36 0.27 54.37 3.54 3.68 35.83 19.73 36.87 0.02 0.15 0.18 79 R H G 115.94 8.36 19.69 28.46 93.02 60.18 -72.01 -17.59 40.61 0.59 58.80 3.48 3.36 31.06 23.09 38.28 0.09 0.36 0.29 80 A H G 9.98 21.61 14.15 35.23 96.68 67.04 -76.88 -13.92 32.34 2.99 64.67 18.99 5.87 8.23 23.17 41.12 0.01 1.91 0.69 81 V C H 59.76 12.46 18.92 31.18 97.17 85.03 -73.27 -25.80 48.30 9.09 42.60 20.43 9.91 18.72 25.50 16.27 0.42 6.06 2.69 82 N C C 88.47 5.84 21.47 27.54 99.02 48.34 -91.63 16.00 54.81 8.65 36.54 22.82 10.03 22.44 20.90 15.15 0.30 5.97 2.40 83 C C C 25.52 18.16 12.93 30.60 108.42 126.16 -80.22 113.76 64.92 6.73 28.35 46.32 10.16 7.97 20.34 8.54 0.03 3.94 2.70 84 R C C 113.78 8.90 17.72 26.97 109.80 80.61 -91.94 105.96 63.57 8.10 28.32 38.41 12.71 12.57 20.81 7.51 0.08 4.65 3.25 85 K C C 113.63 8.08 15.03 23.88 100.41 58.80 -77.46 -10.24 63.49 5.71 30.80 27.39 18.43 18.84 20.60 9.12 0.16 3.35 2.10 86 K C C 122.41 5.57 14.77 21.57 103.99 74.51 -85.09 -3.54 64.66 4.82 30.53 28.77 18.03 18.85 18.99 10.67 0.10 2.71 1.88 87 K C C 125.78 5.36 15.81 22.31 105.15 33.10 -84.27 17.59 67.00 5.90 27.10 26.33 16.34 25.54 15.42 10.50 0.13 3.31 2.43 88 C C T 56.11 12.22 13.37 25.63 105.43 42.55 -91.29 65.61 78.90 3.85 17.25 26.18 18.58 35.03 8.58 7.80 0.04 2.15 1.63 89 G C C 40.41 6.94 17.09 24.67 104.40 -105.02 80.57 -3.39 86.66 5.76 7.58 33.50 28.04 25.83 2.09 5.13 0.01 3.26 2.14 90 H C C 78.38 10.31 15.76 26.86 113.41 102.12 -96.29 126.11 80.19 10.79 9.02 52.20 16.84 10.76 2.76 6.58 0.01 5.27 5.57 91 T C C 49.84 15.00 14.45 28.84 101.34 -151.82 -83.82 -9.97 74.27 5.67 20.06 43.32 13.42 17.01 3.25 17.62 0.00 3.42 1.95 92 N C T 100.60 6.44 18.75 25.90 96.66 74.60 -79.70 -8.93 75.17 4.04 20.79 26.64 19.97 29.06 2.53 18.15 0.01 2.52 1.12 93 N C C 75.26 8.93 19.26 28.77 98.71 61.95 -94.83 8.85 77.01 5.85 17.15 40.28 16.25 20.24 2.15 15.75 0.00 3.91 1.42 94 L C C 26.18 21.17 13.23 33.82 115.62 113.04 -89.17 129.73 82.46 15.02 2.52 67.33 11.72 2.01 1.06 1.62 0.00 9.30 6.95 95 R C C 108.40 7.70 22.07 30.52 127.02 -173.30 -127.03 139.04 83.30 16.42 0.28 74.50 8.22 0.41 0.13 0.18 0.00 12.88 3.68 96 P C C 52.09 14.71 14.94 29.51 114.01 -106.60 -66.22 148.09 81.13 17.26 1.62 73.52 4.69 2.15 0.63 1.02 0.00 12.60 5.39 97 K C C 110.84 9.36 14.70 24.74 106.53 -129.47 -82.15 36.37 88.98 6.33 4.69 65.07 17.33 6.38 1.09 3.79 0.00 4.42 1.92 98 K C C 124.80 5.12 13.31 20.08 117.04 -104.21 -93.99 138.80 86.27 7.07 6.65 56.19 22.52 7.63 1.49 5.31 0.00 4.89 1.97 99 K C C 140.05 4.18 11.81 17.91 110.68 -129.02 -84.17 127.67 86.15 7.51 6.34 69.43 9.84 6.48 1.66 4.89 0.00 5.39 2.31 100 V C C 76.16 9.24 7.93 17.97 114.02 -147.03 -95.26 129.18 92.31 4.40 3.29 87.70 1.85 3.48 1.08 1.64 0.00 2.80 1.46 101 K C C 156.42 2.02 13.41 16.47 109.98 -143.27 -86.20 117.14 99.88 0.09 0.02 99.71 0.13 0.09 0.01 0.00 0.00 0.05 0.01