# 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 127.72 3.40 11.74 16.80 116.14 -162.36 -101.58 132.99 99.90 0.09 0.01 99.86 0.06 0.02 0.00 0.00 0.00 0.04 0.01 1 I C C 112.73 4.73 8.08 14.71 115.67 -149.10 -96.20 127.76 89.95 4.11 5.94 87.54 0.88 2.55 3.92 1.16 0.00 2.43 1.52 2 S C C 76.71 3.16 9.03 14.08 115.75 -161.04 -96.57 143.32 86.24 4.70 9.06 70.57 9.06 6.41 6.22 3.02 0.00 3.14 1.57 3 K C C 158.48 1.69 10.20 13.00 108.39 -131.44 -87.86 101.63 79.92 4.20 15.88 59.72 12.82 6.78 12.46 4.20 0.00 2.60 1.41 4 I C C 93.83 6.66 8.24 16.36 114.83 118.63 -92.15 136.07 79.23 2.49 18.28 60.50 12.49 5.24 16.51 3.00 0.00 1.28 0.98 5 D C C 84.87 3.45 11.95 16.67 109.68 -124.71 -81.88 126.08 83.13 0.88 15.99 73.59 4.85 3.64 15.55 1.60 0.00 0.39 0.38 6 K H H 131.08 4.32 11.03 17.07 94.66 -139.57 -65.35 -33.49 23.26 0.28 76.46 11.59 4.46 7.76 73.81 2.12 0.01 0.12 0.13 7 N H H 101.78 2.53 13.29 16.53 93.86 55.31 -67.32 -36.71 17.44 0.26 82.30 7.03 3.20 7.59 80.03 1.90 0.02 0.12 0.12 8 K H H 113.38 2.33 14.74 17.31 93.57 51.23 -67.27 -40.33 8.61 0.25 91.14 4.75 1.50 2.95 89.00 1.56 0.01 0.13 0.09 9 V H H 54.71 5.64 13.27 20.89 92.46 50.79 -64.76 -42.28 4.36 0.12 95.52 2.52 0.66 1.33 94.72 0.67 0.00 0.06 0.04 10 R H H 102.75 6.89 14.87 22.90 92.25 50.56 -64.34 -41.41 2.74 0.13 97.12 1.43 0.34 0.96 96.68 0.46 0.00 0.09 0.03 11 L H H 90.53 3.24 16.84 20.57 92.16 50.18 -64.70 -41.33 1.92 0.10 97.98 0.88 0.22 0.74 97.72 0.35 0.00 0.07 0.02 12 K H H 115.85 2.38 18.30 20.32 92.18 49.74 -65.35 -41.32 1.85 0.05 98.11 0.71 0.21 0.81 97.92 0.31 0.00 0.03 0.01 13 R H H 98.10 7.65 16.99 25.51 92.11 49.53 -65.15 -41.22 2.09 0.04 97.87 0.66 0.22 1.05 97.73 0.31 0.00 0.02 0.01 14 H H H 71.90 10.16 16.10 27.11 92.06 50.53 -64.42 -40.80 2.55 0.03 97.42 0.74 0.27 1.34 97.26 0.37 0.00 0.01 0.01 15 A H H 56.03 3.29 18.67 22.15 91.86 51.15 -64.15 -40.54 3.38 0.03 96.59 0.98 0.36 1.81 96.24 0.57 0.01 0.02 0.01 16 R H H 125.75 3.04 19.44 22.35 92.16 50.26 -65.82 -40.60 4.78 0.06 95.16 1.40 0.55 2.67 94.42 0.89 0.01 0.03 0.02 17 V H H 35.73 13.14 15.45 29.35 92.65 49.84 -65.18 -41.77 5.84 0.09 94.08 1.92 0.77 3.10 92.88 1.25 0.01 0.04 0.03 18 R H H 106.80 10.77 16.79 27.84 92.24 52.18 -63.90 -39.58 8.56 0.14 91.30 3.04 1.13 4.45 88.66 2.58 0.01 0.07 0.06 19 T H H 92.17 2.20 19.18 21.01 93.11 51.73 -67.24 -36.20 14.88 0.17 84.95 3.51 1.85 9.54 78.42 6.47 0.04 0.09 0.08 20 N H H 94.33 5.10 18.17 23.85 94.76 50.45 -74.06 -28.22 25.48 0.26 74.26 4.99 3.11 17.48 67.14 6.96 0.06 0.12 0.14 21 L H H 35.00 18.79 12.19 29.90 98.72 54.01 -85.35 -9.55 42.65 0.92 56.43 12.88 6.65 24.59 48.20 6.58 0.12 0.41 0.56 22 S C T 67.99 6.86 16.01 24.26 109.31 111.37 -77.98 121.19 76.72 1.22 22.06 18.54 9.25 48.11 18.97 3.79 0.02 0.53 0.79 23 G C T 51.56 4.42 16.28 21.65 99.48 23.04 83.73 -1.23 94.32 0.61 5.07 20.04 19.49 55.35 2.19 2.32 0.00 0.31 0.31 24 T C C 61.11 7.40 14.19 23.10 121.41 105.32 -104.94 146.42 94.59 2.90 2.51 70.50 19.63 3.58 1.19 1.27 0.00 0.93 2.90 25 A C S 70.70 7.89 13.88 22.95 95.02 -138.45 -68.36 -22.59 96.58 0.92 2.50 10.02 45.33 41.45 0.31 2.01 0.00 0.46 0.42 26 E C S 126.53 3.93 19.05 23.60 97.50 63.55 -82.50 -13.35 96.41 1.63 1.96 11.49 43.93 41.05 0.18 1.88 0.00 1.02 0.44 27 K C S 78.40 12.64 18.72 31.18 111.46 44.83 -113.96 99.15 95.51 4.29 0.20 43.64 52.08 0.63 0.04 0.15 0.00 2.63 0.83 28 P C C 11.66 21.88 16.98 39.06 116.58 -133.75 -69.29 148.17 91.85 8.10 0.05 89.97 1.94 0.17 0.01 0.03 0.00 7.54 0.33 29 R E E 69.65 13.47 26.47 39.79 123.26 -146.54 -111.26 138.61 12.17 87.81 0.02 11.43 0.63 0.03 0.00 0.01 0.00 86.69 1.21 30 L E E 6.04 26.07 19.59 45.96 121.88 -159.26 -113.64 132.33 2.21 97.79 0.00 2.07 0.07 0.00 0.00 0.00 0.00 97.82 0.04 31 N E E 34.04 13.26 27.56 41.15 122.36 -168.67 -118.75 133.07 0.53 99.47 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.49 0.01 32 V E E 11.75 24.28 19.58 43.64 120.50 -164.00 -115.85 127.58 0.27 99.73 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.74 0.00 33 Y E E 67.98 11.28 25.87 37.34 127.45 -174.63 -127.12 139.63 0.25 99.75 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 34 R E E 86.01 16.65 18.07 33.75 120.01 -153.95 -110.43 129.31 3.85 96.15 0.00 3.39 0.21 0.02 0.00 0.00 0.00 96.27 0.10 35 S C C 31.68 9.27 18.12 28.46 130.82 169.47 -122.96 -175.63 79.23 20.74 0.03 77.04 1.26 0.09 0.00 0.02 0.00 21.27 0.33 36 N C S 111.42 4.84 17.18 23.14 92.28 -89.81 -65.14 -27.30 99.69 0.20 0.11 1.83 78.29 19.63 0.01 0.08 0.00 0.13 0.03 37 K C S 118.63 5.67 17.40 23.74 104.22 24.73 -109.66 -16.79 99.60 0.29 0.11 1.27 80.25 18.16 0.00 0.08 0.00 0.19 0.04 38 H E E 58.94 10.44 20.53 31.63 142.37 16.89 -153.88 157.82 32.87 67.11 0.02 25.95 5.56 0.16 0.00 0.02 0.00 67.97 0.33 39 I E E 6.93 24.10 17.14 42.05 119.10 -135.07 -111.59 129.65 0.88 99.12 0.00 0.83 0.01 0.00 0.00 0.00 0.00 99.14 0.02 40 Y E E 41.35 13.18 27.12 40.88 123.88 -168.46 -119.75 137.05 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 41 A E E 2.03 26.28 20.26 47.12 126.81 -169.26 -124.64 140.45 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 42 Q E E 30.46 15.61 28.34 43.92 126.30 -169.05 -124.84 136.85 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 43 I E E 5.95 23.88 23.29 47.18 117.44 -153.22 -106.34 126.69 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 44 I E E 17.23 16.90 22.19 39.70 124.20 -169.00 -119.85 135.30 0.22 99.78 0.00 0.19 0.01 0.00 0.00 0.00 0.00 99.78 0.02 45 D E E 29.02 11.44 20.28 33.45 107.83 -129.07 -83.15 116.38 10.52 89.47 0.01 10.03 0.21 0.02 0.00 0.00 0.00 89.50 0.23 46 D C T 47.83 16.06 14.78 31.16 93.42 -158.25 -70.52 -23.99 99.14 0.15 0.70 0.30 2.56 96.50 0.02 0.50 0.00 0.10 0.03 47 N C T 110.07 2.94 16.89 20.64 97.07 49.49 -76.84 -38.45 99.09 0.08 0.83 0.20 2.25 96.82 0.02 0.65 0.00 0.04 0.02 48 K C T 133.66 2.11 16.23 18.03 99.01 22.48 -102.39 -8.87 99.32 0.06 0.62 0.40 2.20 96.85 0.02 0.49 0.00 0.03 0.01 49 G C C 39.59 8.60 13.16 23.20 95.60 -124.59 72.04 15.67 99.18 0.46 0.35 53.09 5.63 40.50 0.08 0.23 0.00 0.38 0.09 50 V C C 66.47 6.91 18.78 26.99 117.38 146.05 -92.09 135.55 55.64 44.29 0.07 50.37 4.50 0.21 0.02 0.06 0.00 40.46 4.38 51 T E E 53.35 15.39 17.61 32.69 110.72 -123.31 -79.10 123.21 0.79 99.21 0.00 0.78 0.02 0.00 0.00 0.00 0.00 98.81 0.38 52 L E E 31.14 17.16 20.71 37.75 100.20 176.88 -95.27 -30.38 2.23 97.77 0.00 1.02 1.08 0.02 0.00 0.00 0.00 97.87 0.01 53 A E E 7.56 20.54 21.60 42.25 143.22 -0.09 -157.94 152.10 0.45 99.54 0.00 0.31 0.05 0.00 0.00 0.00 0.00 99.63 0.01 54 Q E E 64.57 17.54 23.88 39.88 135.71 -172.80 -142.99 145.58 0.59 99.41 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.46 0.01 55 A E E 8.41 22.60 21.25 43.17 134.91 -173.80 -139.50 149.11 0.60 99.40 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.38 0.03 56 S E E 29.64 14.52 24.91 39.06 137.38 -174.68 -140.90 155.52 6.51 93.47 0.01 6.00 0.35 0.03 0.00 0.01 0.00 93.23 0.38 57 S C C 17.39 21.21 16.44 36.77 105.23 -129.61 -90.49 28.21 70.37 28.78 0.85 43.55 21.83 5.21 0.13 0.80 0.00 27.40 1.08 58 K C S 118.18 6.95 21.56 28.75 100.66 123.73 -90.22 3.45 93.37 4.99 1.64 39.25 43.64 10.91 0.31 1.42 0.00 3.19 1.27 59 D C C 53.19 12.71 13.43 26.66 109.66 116.63 -80.17 120.11 91.26 2.26 6.48 54.38 29.96 6.89 2.48 3.69 0.00 0.88 1.71 60 S C T 86.68 2.77 15.81 20.00 93.50 -150.84 -67.09 -24.25 55.94 0.39 43.67 6.79 8.93 39.16 10.15 34.48 0.01 0.19 0.29 61 D C T 94.18 4.65 17.76 23.39 93.08 63.28 -75.46 -18.55 54.24 0.48 45.29 7.38 7.37 38.36 11.38 34.95 0.01 0.25 0.31 62 I C G 15.98 22.17 10.36 31.45 100.91 63.89 -86.92 -1.99 51.44 1.94 46.62 23.52 12.78 16.47 14.03 31.17 0.03 0.94 1.06 63 A C C 60.06 7.83 18.24 26.73 107.68 89.57 -79.21 112.91 78.23 1.57 20.19 55.33 10.96 12.01 11.70 8.16 0.00 0.69 1.15 64 T C C 71.16 9.55 13.82 23.94 106.81 111.37 -87.47 22.94 91.13 0.87 8.00 70.95 12.36 7.82 5.07 2.82 0.00 0.38 0.60 65 T C C 97.77 3.42 16.79 20.72 102.65 45.98 -89.86 -1.23 92.93 0.76 6.31 77.09 8.39 7.57 3.85 2.24 0.00 0.35 0.50 66 A C C 51.01 9.92 13.04 23.83 115.00 86.11 -92.39 145.63 91.24 1.17 7.59 65.99 14.08 11.14 4.76 2.76 0.00 0.50 0.77 67 T C C 79.59 7.99 16.70 25.16 108.76 -98.82 -94.21 83.84 89.91 1.40 8.68 62.92 15.96 10.77 6.24 2.66 0.00 0.58 0.88 68 K C C 95.10 9.37 19.24 28.75 114.36 127.26 -95.80 121.61 68.73 2.12 29.15 41.73 22.63 4.36 27.83 1.59 0.01 0.58 1.28 69 V H H 49.55 16.99 16.47 32.48 94.10 -121.68 -63.34 -37.32 8.88 0.10 91.02 4.01 1.73 3.05 90.28 0.85 0.00 0.04 0.04 70 E H H 107.59 4.11 24.89 29.13 92.12 52.81 -64.82 -40.28 3.92 0.06 96.03 1.75 0.47 1.62 95.33 0.79 0.00 0.03 0.02 71 L H H 24.52 14.84 21.76 36.95 91.69 50.64 -64.64 -41.72 1.07 0.01 98.92 0.42 0.10 0.46 98.53 0.48 0.00 0.01 0.00 72 A H H 1.86 26.06 19.84 46.04 91.32 51.58 -63.68 -41.88 0.54 0.00 99.46 0.15 0.04 0.26 99.31 0.24 0.00 0.00 0.00 73 T H H 40.71 14.83 26.41 40.49 91.62 50.83 -63.95 -42.01 0.61 0.00 99.39 0.10 0.04 0.35 99.37 0.13 0.00 0.00 0.00 74 K H H 88.11 6.84 30.08 38.40 91.39 50.08 -64.30 -42.02 0.62 0.00 99.37 0.08 0.03 0.41 99.40 0.08 0.00 0.00 0.00 75 V H H 2.37 25.24 25.87 50.58 91.61 49.77 -63.98 -44.11 0.16 0.00 99.84 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 76 G H H 0.71 27.04 24.74 51.77 91.32 51.20 -62.98 -43.26 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 77 E H H 68.89 11.10 29.48 41.50 91.45 50.12 -63.95 -41.83 0.14 0.00 99.86 0.00 0.00 0.09 99.89 0.01 0.00 0.00 0.00 78 A H H 20.65 11.12 28.73 41.55 91.39 49.98 -63.65 -42.97 0.10 0.00 99.90 0.01 0.00 0.06 99.93 0.01 0.00 0.00 0.00 79 I H H 1.38 26.75 25.82 52.37 91.70 49.17 -64.56 -44.05 0.07 0.00 99.93 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 80 A H H 2.38 25.24 23.19 48.07 90.97 51.59 -62.80 -43.19 0.04 0.00 99.96 0.00 0.00 0.03 99.97 0.00 0.00 0.00 0.00 81 K H H 101.35 5.14 28.96 35.06 91.28 50.24 -63.29 -42.11 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 82 K H H 56.74 10.57 25.66 36.70 91.73 49.08 -64.50 -41.59 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 83 A H H 1.25 26.05 16.18 43.14 91.11 50.59 -63.41 -42.93 0.34 0.00 99.66 0.03 0.02 0.25 99.60 0.12 0.00 0.00 0.00 84 A H H 40.39 14.30 18.77 32.64 91.30 51.19 -62.62 -41.00 0.99 0.00 99.01 0.04 0.03 0.87 98.50 0.56 0.00 0.00 0.00 85 D H H 116.59 1.29 21.29 21.43 89.93 53.66 -66.03 -26.93 7.53 0.00 92.47 0.09 0.14 7.80 91.37 0.60 0.00 0.00 0.00 86 K C T 97.11 9.42 16.13 26.44 93.13 54.31 -88.16 1.69 81.18 0.02 18.80 0.23 0.75 80.31 18.02 0.67 0.00 0.00 0.02 87 G C T 45.11 3.60 22.66 26.44 97.94 -100.86 90.53 10.39 99.91 0.00 0.09 0.68 0.62 98.67 0.03 0.01 0.00 0.00 0.00 88 I C C 11.08 24.16 10.84 34.95 112.32 149.98 -80.47 125.53 91.68 8.27 0.05 92.24 0.35 0.05 0.01 0.02 0.00 6.92 0.41 89 K C C 116.22 5.78 24.09 30.93 101.41 174.53 -106.33 -15.08 83.77 16.18 0.05 70.77 11.18 0.25 0.00 0.05 0.00 17.49 0.26 90 E E E 62.27 11.57 25.66 37.92 131.87 39.29 -135.06 141.27 9.77 90.18 0.06 8.29 1.16 0.10 0.01 0.04 0.00 90.19 0.22 91 I E E 2.83 26.89 19.65 47.33 124.09 -166.15 -125.85 131.94 1.22 98.77 0.01 1.19 0.04 0.00 0.00 0.00 0.00 98.69 0.06 92 V E E 19.70 17.11 28.15 45.09 118.74 -162.90 -112.80 126.96 1.36 98.62 0.01 1.33 0.05 0.01 0.00 0.00 0.00 98.51 0.09 93 F E E 8.45 24.58 21.38 45.74 120.66 -165.49 -110.57 132.78 11.69 88.26 0.05 11.36 0.32 0.04 0.02 0.02 0.00 88.00 0.25 94 D C E 41.59 14.36 23.59 37.63 109.73 -146.87 -96.93 112.70 54.21 45.58 0.21 45.93 5.63 0.72 0.04 0.17 0.00 46.93 0.58 95 R C C 62.24 16.77 16.74 33.07 101.23 172.92 -96.83 8.63 82.54 14.66 2.80 62.30 12.76 6.99 0.64 2.40 0.00 12.45 2.45 96 G C C 42.58 7.59 17.13 25.47 102.41 -142.65 63.77 9.05 84.67 6.18 9.15 33.33 22.55 29.66 1.36 7.61 0.01 3.45 2.03 97 G C T 49.92 5.36 16.11 22.36 100.32 -28.43 81.82 -2.20 82.52 2.41 15.07 14.90 31.05 37.32 2.02 12.24 0.01 1.22 1.24 98 Y C C 126.39 7.52 14.34 23.03 115.50 90.96 -96.86 136.93 76.57 6.55 16.88 30.70 26.48 20.75 3.70 12.06 0.05 3.26 2.99 99 L C C 82.55 9.87 15.60 26.06 110.95 -122.89 -91.75 118.92 78.92 8.07 13.01 47.95 17.55 13.74 4.29 8.56 0.02 4.62 3.27 100 Y C C 99.71 13.87 13.33 26.95 114.22 -153.86 -99.04 120.01 83.75 5.49 10.76 59.78 13.48 10.16 4.90 5.98 0.00 3.05 2.64 101 H C C 98.68 6.29 16.77 24.52 130.07 156.53 -136.27 155.59 86.75 2.12 11.13 58.24 22.74 5.09 10.24 1.66 0.00 0.77 1.25 102 G H H 43.71 4.09 19.94 24.63 110.47 -26.36 61.09 -128.65 24.64 0.21 75.15 4.87 10.54 10.13 72.87 1.35 0.05 0.06 0.13 103 R H H 79.43 15.66 19.31 34.08 93.43 9.07 -68.13 -33.35 7.04 0.07 92.89 1.48 1.22 4.35 91.83 1.04 0.02 0.03 0.03 104 V H H 6.08 24.69 18.00 42.37 91.76 54.50 -64.69 -41.69 2.38 0.05 97.57 0.75 0.31 1.22 97.03 0.65 0.00 0.02 0.01 105 K H H 90.91 10.00 25.30 35.36 91.56 52.56 -62.98 -41.40 0.60 0.01 99.40 0.17 0.06 0.27 99.27 0.22 0.00 0.00 0.00 106 A H H 26.84 9.06 25.76 36.07 91.63 50.93 -64.11 -42.01 0.23 0.00 99.76 0.04 0.01 0.12 99.74 0.08 0.00 0.00 0.00 107 L H H 4.20 24.97 23.66 48.01 91.92 49.81 -64.48 -42.92 0.13 0.00 99.87 0.01 0.01 0.08 99.86 0.04 0.00 0.00 0.00 108 A H H 6.22 21.84 23.02 44.32 91.22 50.46 -62.37 -43.20 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 109 E H H 91.75 4.30 28.62 33.29 91.41 50.19 -63.45 -41.83 0.17 0.00 99.83 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 110 A H H 12.43 13.49 22.52 37.20 91.39 50.64 -63.38 -42.86 0.20 0.00 99.80 0.02 0.01 0.13 99.79 0.05 0.00 0.00 0.00 111 A H H 2.17 25.25 16.37 42.21 91.09 50.44 -63.40 -42.89 0.43 0.00 99.57 0.06 0.03 0.29 99.50 0.13 0.00 0.00 0.00 112 R H H 119.28 9.28 20.16 29.88 91.55 50.16 -63.02 -41.24 1.34 0.01 98.65 0.20 0.10 0.96 98.36 0.35 0.00 0.00 0.00 113 E H H 137.47 2.14 20.73 22.74 90.41 53.41 -64.73 -29.15 7.03 0.01 92.96 0.20 0.24 6.66 92.50 0.39 0.01 0.00 0.00 114 S C T 38.63 12.71 14.35 27.94 93.25 52.86 -88.60 1.37 81.45 0.02 18.53 0.35 0.86 79.10 19.20 0.47 0.00 0.00 0.02 115 G C T 50.70 2.58 21.27 23.75 97.35 -100.18 88.19 9.66 99.68 0.03 0.29 1.54 1.18 97.09 0.11 0.05 0.00 0.01 0.01 116 L C C 17.57 22.54 9.36 31.04 118.11 139.18 -86.94 138.83 96.37 3.44 0.19 94.76 1.56 0.39 0.07 0.09 0.00 2.52 0.61 117 E C C 129.28 2.87 22.68 25.77 114.58 -141.17 -93.15 129.31 69.21 30.49 0.30 69.96 0.56 0.60 0.13 0.13 0.00 21.12 7.50 118 F C C 44.28 22.20 13.77 34.63 116.74 -159.09 -102.26 130.90 96.59 3.40 0.01 97.34 0.08 0.01 0.00 0.00 0.00 2.43 0.13