# 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 Q C C 102.88 6.09 17.09 24.29 119.25 -165.09 -101.28 137.56 99.53 0.46 0.00 99.59 0.05 0.01 0.00 0.00 0.00 0.35 0.01 1 V E E 70.32 11.72 13.40 25.71 120.20 -150.01 -106.49 131.72 47.21 52.73 0.06 46.26 0.51 0.11 0.01 0.03 0.00 52.37 0.70 2 L E E 46.54 12.74 14.94 28.93 119.64 -156.70 -106.57 132.20 14.99 84.97 0.03 13.72 0.86 0.07 0.01 0.02 0.00 84.92 0.40 3 K E E 107.31 9.28 18.56 28.90 122.33 -159.14 -113.53 134.98 8.04 91.94 0.01 7.14 0.50 0.03 0.00 0.01 0.00 92.23 0.10 4 F E E 31.40 17.25 16.59 34.19 132.82 -177.32 -135.72 150.85 4.02 95.97 0.01 3.59 0.20 0.01 0.00 0.00 0.00 96.13 0.06 5 T E E 54.18 10.96 22.57 33.94 123.02 -148.76 -118.03 133.81 1.71 98.28 0.00 1.61 0.05 0.00 0.00 0.00 0.00 98.29 0.05 6 L E E 11.59 22.99 16.98 40.10 118.05 -159.68 -109.17 126.70 2.50 97.50 0.00 2.37 0.07 0.00 0.00 0.00 0.00 97.37 0.18 7 D E E 64.93 7.61 25.13 33.16 109.51 -147.10 -95.01 114.24 16.28 83.70 0.02 14.96 0.98 0.06 0.00 0.02 0.00 83.38 0.61 8 C C C 9.11 23.45 13.83 37.62 101.01 -175.93 -98.32 15.48 80.17 18.85 0.99 63.99 11.06 4.18 0.15 1.04 0.00 17.99 1.59 9 T C S 69.08 7.99 20.16 28.93 93.59 115.29 -72.46 -22.46 94.66 4.97 0.37 13.91 73.80 7.00 0.04 0.35 0.00 4.24 0.65 10 H C S 97.24 6.33 19.31 26.39 110.35 46.16 -117.12 85.90 95.87 3.93 0.20 10.56 84.38 1.53 0.03 0.12 0.00 2.68 0.71 11 P C C 46.68 13.95 13.90 28.17 112.48 -155.30 -70.45 143.38 86.67 12.72 0.61 82.35 3.43 0.54 0.29 0.27 0.00 4.82 8.30 12 V C C 43.96 14.12 11.60 25.81 117.99 -126.35 -91.42 151.76 76.88 21.80 1.32 71.83 2.99 0.74 0.69 0.56 0.00 7.52 15.67 13 E C T 154.30 1.64 14.88 16.95 94.85 -106.65 -66.18 -24.45 80.76 14.08 5.16 3.14 10.88 67.91 0.67 4.35 0.07 9.08 3.90 14 D C T 106.49 2.64 14.48 17.82 95.28 48.86 -86.81 7.00 94.87 0.80 4.34 0.90 7.46 86.67 0.28 3.98 0.00 0.43 0.27 15 G C S 46.11 5.70 13.92 21.14 95.09 -104.84 82.09 7.49 95.75 1.93 2.32 7.45 69.69 18.75 0.20 2.01 0.00 1.01 0.89 16 I C S 63.75 10.96 16.22 27.91 98.91 112.01 -87.38 -27.97 81.98 17.48 0.55 36.64 44.81 2.14 0.27 0.30 0.00 8.20 7.64 17 M C C 23.64 19.39 13.58 32.78 130.29 26.23 -131.01 145.11 53.65 45.77 0.58 35.41 18.04 0.74 0.42 0.22 0.01 17.38 27.78 18 D C C 66.89 5.78 23.87 29.65 120.30 -140.81 -98.11 147.51 81.77 17.60 0.63 81.05 1.51 0.31 0.51 0.14 0.00 12.14 4.35 19 A H H 28.26 18.22 14.44 32.38 92.52 -122.19 -60.52 -37.23 9.35 0.16 90.49 2.95 1.39 5.14 84.74 5.61 0.02 0.11 0.05 20 A H H 61.08 3.26 21.62 24.63 91.62 55.20 -63.24 -40.17 5.80 0.06 94.15 0.66 0.50 4.27 86.96 7.52 0.02 0.04 0.02 21 N H H 64.14 7.36 20.70 28.58 92.01 49.65 -66.36 -38.91 4.04 0.06 95.90 0.78 0.41 2.55 87.25 8.95 0.01 0.04 0.01 22 F H H 10.09 23.73 15.33 39.13 91.96 52.05 -63.77 -43.08 1.74 0.03 98.23 0.63 0.21 0.85 96.51 1.77 0.00 0.01 0.00 23 E H H 64.42 13.01 19.53 32.46 91.60 52.59 -62.93 -41.69 0.94 0.01 99.05 0.26 0.08 0.49 98.80 0.36 0.00 0.01 0.00 24 Q H H 102.58 2.11 23.48 24.02 91.68 50.49 -64.37 -41.88 0.60 0.01 99.39 0.12 0.05 0.34 99.32 0.17 0.00 0.00 0.00 25 F H H 36.36 12.18 19.11 32.45 91.85 49.27 -64.27 -43.21 0.41 0.00 99.58 0.08 0.03 0.22 99.49 0.16 0.00 0.00 0.00 26 L H H 8.67 23.32 14.85 38.18 91.86 49.69 -64.66 -41.10 0.43 0.00 99.56 0.08 0.02 0.26 99.36 0.28 0.00 0.00 0.00 27 Q H H 93.82 8.98 18.52 27.97 91.91 53.38 -65.46 -35.71 1.47 0.00 98.52 0.09 0.06 1.23 97.99 0.62 0.00 0.00 0.00 28 E H H 127.63 2.31 20.79 22.38 93.92 47.72 -74.47 -29.51 10.28 0.01 89.70 0.21 0.37 9.99 88.67 0.74 0.01 0.00 0.01 29 R H H 101.69 10.02 17.85 28.07 101.41 33.11 -102.89 -11.49 32.28 0.25 67.47 2.10 2.73 26.51 67.35 1.04 0.06 0.10 0.11 30 I C C 22.93 21.59 11.81 32.56 112.35 79.44 -96.50 121.24 84.95 10.74 4.31 59.30 22.02 3.26 4.32 0.82 0.01 6.64 3.63 31 K E E 111.47 5.01 20.44 26.49 124.62 142.85 -119.57 137.30 45.13 53.63 1.25 42.54 1.77 0.58 1.05 0.37 0.00 44.41 9.29 32 V E E 40.07 16.81 10.67 27.05 118.13 -168.63 -124.19 119.25 15.99 82.24 1.77 9.70 3.56 1.87 1.13 0.89 0.04 54.13 28.67 33 N C T 129.38 2.01 14.47 17.40 92.95 -12.92 52.87 39.67 95.61 1.37 3.02 0.81 4.81 90.39 0.23 2.54 0.00 0.85 0.36 34 G C T 63.83 1.27 13.78 15.08 94.55 -52.34 79.39 3.61 97.69 0.26 2.05 0.75 6.17 90.69 0.10 2.04 0.00 0.16 0.09 35 K E E 114.13 4.14 13.92 19.98 121.77 110.43 -112.17 135.93 20.79 78.55 0.66 5.86 9.17 6.74 0.27 0.37 0.04 44.88 32.66 36 A C T 65.67 7.33 13.18 21.94 113.39 -115.56 -70.18 139.56 62.71 32.34 4.95 12.27 15.32 38.35 0.79 4.10 0.05 24.27 4.84 37 G C T 40.79 7.64 16.62 25.10 97.20 19.57 80.45 -1.30 87.05 7.65 5.31 22.74 25.95 38.66 0.82 4.64 0.01 5.76 1.43 38 N C C 76.85 8.59 17.56 26.92 99.77 115.29 -88.99 7.55 79.75 11.95 8.30 50.47 17.46 11.90 2.03 6.35 0.02 7.01 4.76 39 L C C 39.31 18.22 12.86 30.17 99.07 75.54 -90.63 5.10 70.96 20.73 8.30 42.78 15.22 13.50 2.29 5.94 0.07 10.69 9.52 40 G C T 44.41 5.46 16.96 23.65 101.76 -110.29 70.73 30.54 67.72 18.74 13.54 23.88 17.05 28.55 2.32 10.55 0.10 9.68 7.87 41 G C T 58.98 2.40 16.70 19.76 95.24 -20.18 65.59 18.60 86.72 2.15 11.13 5.89 19.88 60.08 0.98 10.86 0.00 1.29 1.01 42 G C T 41.98 8.82 16.17 25.60 95.17 -68.46 80.09 6.43 90.62 2.54 6.85 7.32 26.69 56.21 0.45 6.91 0.00 1.77 0.65 43 V C E 47.60 11.87 18.55 31.10 98.12 112.74 -87.97 -21.79 51.12 47.55 1.33 25.79 20.70 7.06 0.32 1.18 0.03 39.61 5.31 44 V E E 8.64 24.05 12.76 36.78 125.18 51.01 -119.59 135.20 16.93 83.01 0.05 14.86 1.59 0.12 0.02 0.04 0.00 82.00 1.38 45 T E E 57.19 6.29 26.22 32.93 123.78 -164.80 -118.93 138.17 3.82 96.17 0.01 3.74 0.10 0.01 0.00 0.00 0.00 95.99 0.15 46 I E E 28.09 22.90 13.62 35.97 121.12 -159.62 -116.55 128.39 2.02 97.98 0.00 1.94 0.08 0.00 0.00 0.00 0.00 97.96 0.02 47 E E E 96.07 4.30 23.60 28.19 124.48 -172.80 -124.99 137.06 0.89 99.11 0.00 0.78 0.05 0.01 0.00 0.00 0.00 99.13 0.03 48 R E E 116.46 13.14 12.77 25.96 118.92 -148.66 -105.17 129.06 5.00 94.98 0.02 4.07 0.54 0.08 0.00 0.01 0.00 95.13 0.17 49 S C C 51.90 4.48 14.97 20.85 127.85 173.70 -124.29 167.15 66.92 33.05 0.04 63.04 1.76 0.14 0.00 0.02 0.00 34.70 0.34 50 K C S 168.06 1.25 15.18 16.34 94.86 -81.97 -59.50 -38.66 99.34 0.49 0.17 2.91 64.10 32.40 0.01 0.15 0.00 0.37 0.06 51 S C S 63.52 8.22 13.92 22.91 102.22 11.65 -109.31 0.47 99.35 0.51 0.14 1.94 63.48 34.01 0.00 0.13 0.00 0.39 0.04 52 K E E 78.18 8.60 18.85 28.47 138.14 46.65 -143.27 155.33 31.87 68.10 0.03 23.84 7.30 0.26 0.00 0.03 0.00 68.09 0.48 53 I E E 11.32 22.26 14.77 37.78 120.12 -143.69 -114.00 129.05 2.52 97.48 0.00 2.41 0.05 0.00 0.00 0.00 0.00 97.49 0.05 54 T E E 33.63 9.49 25.32 35.97 120.19 -162.79 -112.43 130.99 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 55 V E E 7.09 24.19 17.12 41.82 121.81 -167.83 -116.78 129.98 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 56 T E E 49.54 9.19 25.61 35.29 123.42 -169.52 -119.01 135.53 1.37 98.63 0.00 1.25 0.03 0.00 0.00 0.00 0.00 98.67 0.04 57 S E E 12.58 21.57 13.76 34.84 132.70 -169.11 -131.04 153.23 25.62 74.37 0.01 23.47 1.21 0.04 0.00 0.01 0.00 74.89 0.38 58 E C S 124.37 4.32 21.87 26.83 97.22 -146.09 -89.96 -5.91 84.08 15.88 0.04 35.05 48.33 0.52 0.00 0.04 0.00 15.64 0.42 59 V C S 40.02 13.59 15.94 30.54 120.03 82.63 -103.48 135.35 92.62 7.32 0.06 29.61 62.82 0.69 0.01 0.06 0.00 6.15 0.67 60 P C C 77.43 6.56 23.14 30.04 112.56 -110.76 -67.24 140.90 96.30 3.64 0.06 87.36 8.56 0.54 0.01 0.06 0.00 2.89 0.57 61 F C C 15.57 24.40 11.68 35.77 122.12 -145.11 -104.18 144.04 92.97 6.85 0.19 85.70 6.64 0.24 0.10 0.08 0.00 2.19 5.05 62 S C C 40.27 6.64 22.39 29.30 121.27 -125.69 -83.75 159.18 97.58 2.21 0.21 96.94 0.97 0.10 0.13 0.03 0.00 0.71 1.12 63 K H H 112.06 9.94 15.95 26.69 91.57 -109.95 -58.98 -36.41 3.19 0.00 96.81 0.29 0.45 2.35 95.86 1.05 0.01 0.00 0.00 64 R H H 137.97 3.32 20.78 23.81 91.37 55.40 -63.56 -39.74 2.09 0.01 97.90 0.15 0.17 1.70 96.52 1.45 0.00 0.00 0.00 65 Y H H 37.92 16.41 17.91 34.45 92.04 48.99 -65.83 -40.99 0.85 0.00 99.14 0.12 0.08 0.58 97.50 1.72 0.00 0.00 0.00 66 L H H 11.93 22.19 16.57 38.41 91.65 51.32 -64.15 -41.72 0.31 0.00 99.69 0.05 0.02 0.18 99.18 0.55 0.00 0.00 0.00 67 K H H 97.12 7.99 21.74 30.02 91.81 52.07 -64.09 -40.45 0.84 0.00 99.16 0.06 0.04 0.72 98.11 1.07 0.00 0.00 0.00 68 Y H H 86.28 7.70 22.52 30.61 92.35 49.21 -65.92 -41.22 2.07 0.00 97.93 0.10 0.09 1.85 97.07 0.88 0.00 0.00 0.00 69 L H H 15.15 19.90 19.60 39.22 93.61 46.99 -68.78 -40.82 10.30 0.03 89.67 0.59 0.85 8.65 88.96 0.91 0.02 0.01 0.02 70 T H H 13.81 20.01 18.69 38.23 96.38 45.70 -76.75 -35.35 38.48 0.23 61.29 5.91 3.16 27.78 61.46 1.45 0.02 0.09 0.13 71 K H H 97.49 8.78 20.60 29.68 92.33 59.50 -62.69 -41.37 11.27 0.08 88.65 2.39 1.58 6.97 88.06 0.91 0.01 0.03 0.03 72 K H H 99.90 4.06 22.16 26.01 92.31 49.25 -65.79 -41.32 5.54 0.03 94.43 0.90 0.59 3.86 93.89 0.72 0.01 0.01 0.01 73 Y H H 30.95 14.81 17.43 32.99 92.73 47.81 -65.78 -42.49 2.08 0.03 97.89 0.49 0.29 1.30 96.89 0.99 0.01 0.02 0.01 74 L H H 16.09 18.54 13.74 32.51 92.00 50.38 -64.33 -41.58 1.39 0.02 98.59 0.34 0.15 0.83 97.44 1.20 0.00 0.01 0.00 75 K H H 131.70 2.79 17.42 20.75 92.34 49.27 -65.29 -40.64 2.06 0.01 97.92 0.27 0.15 1.49 96.95 1.12 0.01 0.01 0.00 76 K H H 134.05 2.69 16.28 19.50 92.17 50.64 -66.98 -33.56 7.86 0.02 92.13 0.28 0.39 7.22 91.19 0.89 0.02 0.01 0.01 77 N C T 57.90 10.58 12.50 24.34 97.12 41.36 -99.59 6.82 84.76 0.05 15.19 0.71 2.55 80.38 15.45 0.83 0.00 0.02 0.06 78 N C T 125.16 1.94 18.86 20.98 92.87 -122.25 57.53 39.35 99.27 0.02 0.70 3.17 2.06 94.23 0.36 0.15 0.00 0.01 0.01 79 L C C 19.39 19.30 12.23 31.74 100.06 135.74 -102.96 20.23 95.28 0.66 4.07 92.97 1.42 1.80 1.22 1.90 0.00 0.27 0.42 80 R C G 93.29 15.02 15.73 30.20 92.81 117.25 -61.59 -32.22 49.75 0.86 49.39 21.37 4.96 19.80 2.22 50.91 0.00 0.54 0.20 81 D H G 101.38 3.50 22.20 26.16 91.08 61.83 -72.27 -15.68 48.19 0.41 51.41 2.08 5.13 37.79 1.53 53.08 0.00 0.23 0.16 82 W H G 48.42 17.28 18.30 35.39 98.44 50.91 -97.19 -12.59 49.19 1.23 49.58 3.77 7.33 35.88 1.62 50.26 0.00 0.86 0.27 83 L E E 6.25 25.26 16.21 41.68 123.13 72.13 -110.57 135.74 34.68 62.79 2.53 26.34 8.46 1.95 0.61 1.85 0.01 59.20 1.58 84 R E E 73.07 12.40 26.26 38.43 127.88 -174.84 -124.95 142.69 8.72 91.24 0.04 7.42 0.76 0.07 0.01 0.02 0.00 91.60 0.11 85 V E E 22.47 21.01 20.34 40.86 116.98 -135.33 -99.20 128.57 0.98 99.02 0.00 0.90 0.02 0.00 0.00 0.00 0.00 99.04 0.02 86 V E E 28.94 14.12 21.94 36.53 121.57 -171.48 -117.86 135.49 0.58 99.42 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.44 0.02 87 A E E 25.21 15.12 15.65 31.37 123.58 -155.62 -116.28 138.05 5.05 94.94 0.01 4.66 0.22 0.02 0.00 0.01 0.00 94.95 0.14 88 N C E 94.62 5.90 16.60 23.74 100.22 -159.14 -94.67 -15.68 51.37 48.55 0.08 24.66 24.15 1.25 0.01 0.08 0.00 49.58 0.28 89 S C S 56.77 2.80 18.06 20.62 136.04 -0.65 -145.74 174.51 68.56 31.16 0.27 12.08 50.17 6.02 0.02 0.29 0.00 30.31 1.11 90 K C T 148.26 4.40 13.78 19.63 93.88 -84.76 -65.30 -26.58 99.33 0.26 0.41 1.01 42.10 56.29 0.01 0.37 0.00 0.15 0.06 91 E C T 125.75 4.61 15.42 21.12 100.56 28.29 -104.27 3.33 99.13 0.57 0.30 1.84 43.05 54.30 0.01 0.31 0.00 0.42 0.07 92 S E E 35.85 8.48 17.44 27.55 131.24 71.26 -129.89 148.29 40.96 58.97 0.07 34.23 5.20 0.38 0.01 0.06 0.00 59.58 0.53 93 Y E E 33.90 20.20 12.85 32.81 133.19 -175.28 -136.79 150.03 5.07 94.92 0.00 4.57 0.17 0.01 0.00 0.00 0.00 95.19 0.06 94 E E E 79.23 7.37 24.27 32.26 124.50 -155.81 -121.59 137.15 0.42 99.58 0.00 0.36 0.02 0.00 0.00 0.00 0.00 99.62 0.01 95 L E E 25.56 21.51 14.85 36.13 117.74 -141.45 -97.36 131.58 0.26 99.74 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 96 R E E 89.79 8.99 21.25 30.85 124.81 -170.93 -121.06 137.76 2.57 97.43 0.00 2.36 0.06 0.00 0.00 0.00 0.00 97.54 0.03 97 Y E E 91.08 13.25 15.77 29.22 117.09 -132.41 -92.11 135.36 18.29 81.70 0.01 17.09 0.48 0.07 0.00 0.01 0.00 81.82 0.53 98 F C C 57.57 15.98 15.89 31.28 107.57 -154.04 -92.52 87.29 99.61 0.38 0.01 99.50 0.11 0.06 0.00 0.00 0.00 0.32 0.01