# 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 94.42 7.99 10.63 19.74 112.45 -149.27 -86.48 129.88 99.88 0.03 0.08 99.75 0.09 0.08 0.05 0.00 0.00 0.01 0.01 1 S C C 67.19 3.14 11.29 15.67 110.69 -130.93 -80.89 144.08 85.06 0.57 14.37 81.25 0.87 2.70 14.01 0.65 0.00 0.21 0.30 2 V H H 99.23 3.29 10.01 14.73 96.60 -126.57 -67.93 -33.39 38.26 0.56 61.18 25.37 6.59 6.57 58.93 2.07 0.00 0.24 0.23 3 K H H 130.81 2.31 11.67 14.98 93.96 54.27 -67.15 -38.37 25.20 0.40 74.40 15.04 4.35 6.55 71.30 2.42 0.01 0.18 0.15 4 K H H 112.75 3.53 12.46 17.25 93.13 50.49 -67.02 -38.43 16.93 0.39 82.69 10.92 2.79 4.26 79.26 2.44 0.00 0.20 0.13 5 E H H 96.63 3.62 13.45 18.27 92.54 52.76 -65.78 -40.53 9.44 0.22 90.34 6.22 1.54 2.32 88.27 1.46 0.00 0.11 0.06 6 T H H 66.82 3.15 14.35 18.43 92.21 50.82 -65.37 -40.90 7.36 0.24 92.41 4.63 1.04 2.14 90.65 1.35 0.00 0.14 0.06 7 R H H 114.97 4.35 14.85 20.40 92.67 50.45 -66.02 -40.65 5.92 0.23 93.85 3.14 0.87 2.21 92.08 1.49 0.00 0.15 0.05 8 L H H 76.22 5.51 14.56 21.57 92.33 50.48 -65.76 -40.67 7.73 0.36 91.92 3.98 1.15 2.95 90.03 1.56 0.01 0.23 0.09 9 R H H 131.71 2.65 16.45 19.43 92.51 50.45 -65.61 -39.90 14.43 0.51 85.06 7.33 1.98 5.29 83.53 1.42 0.01 0.28 0.15 10 R H H 124.98 3.46 16.44 20.59 92.63 50.00 -66.87 -38.75 26.78 0.57 72.65 15.80 3.21 7.45 71.69 1.36 0.00 0.26 0.22 11 A H H 40.53 8.02 14.04 23.74 93.14 52.69 -67.28 -38.59 49.03 0.31 50.66 39.23 2.57 4.85 52.20 0.89 0.00 0.13 0.11 12 R H H 127.22 3.92 16.38 21.15 92.70 54.58 -64.83 -40.14 44.30 0.33 55.37 36.67 2.24 3.92 55.91 1.01 0.00 0.14 0.11 13 K H H 116.13 2.50 17.54 19.89 92.59 51.11 -66.03 -39.95 25.06 0.35 74.58 19.60 2.15 3.40 73.16 1.43 0.00 0.16 0.11 14 A H H 39.24 7.22 15.04 24.02 92.51 51.45 -65.53 -40.02 17.54 0.32 82.14 12.71 1.89 3.48 79.81 1.85 0.00 0.17 0.09 15 R H H 106.81 7.73 15.63 24.41 92.39 52.10 -65.13 -39.87 10.75 0.23 89.02 6.77 1.48 2.99 86.20 2.36 0.00 0.13 0.06 16 L H H 85.22 3.34 16.55 20.49 92.36 51.35 -65.05 -40.18 8.66 0.23 91.11 4.58 1.32 3.17 87.69 3.03 0.01 0.15 0.06 17 K H H 109.35 3.58 16.65 20.90 92.82 50.70 -66.67 -38.92 10.62 0.31 89.07 5.22 1.57 4.29 85.04 3.60 0.01 0.20 0.08 18 M H H 65.81 10.37 13.07 24.46 93.32 51.80 -68.24 -36.57 13.84 0.31 85.85 6.53 2.22 5.71 81.05 4.19 0.02 0.18 0.11 19 R H H 131.68 5.57 15.04 21.86 93.91 55.81 -67.83 -33.74 22.66 0.38 76.96 8.80 3.42 11.05 71.94 4.41 0.03 0.21 0.15 20 E H H 123.31 2.86 15.79 19.25 95.63 54.23 -74.44 -27.13 35.30 0.50 64.20 11.89 5.58 18.61 58.92 4.45 0.05 0.24 0.26 21 L C H 79.16 8.82 13.27 23.05 98.52 60.17 -80.27 -12.83 59.39 0.76 39.86 17.46 12.61 29.82 34.80 4.53 0.05 0.31 0.43 22 E C T 118.68 6.46 17.69 24.99 99.69 -131.30 8.76 23.11 82.78 1.21 16.01 29.55 18.11 35.60 10.83 4.77 0.01 0.64 0.48 23 T C C 44.92 12.36 17.91 30.80 116.51 119.30 -100.82 137.08 87.27 8.32 4.41 54.54 25.52 7.65 1.53 2.51 0.00 7.30 0.96 24 V C C 21.30 19.67 18.45 37.92 118.18 -142.74 -99.45 131.62 55.83 43.23 0.94 48.41 4.19 1.10 0.28 0.50 0.00 44.87 0.65 25 R E E 58.32 15.63 25.60 40.44 123.90 -165.48 -117.20 135.63 9.36 90.57 0.06 8.69 0.57 0.06 0.02 0.03 0.00 90.30 0.32 26 L E E 4.47 25.67 21.53 47.29 120.97 -159.75 -110.74 132.19 1.79 98.21 0.01 1.66 0.08 0.01 0.00 0.00 0.00 98.22 0.03 27 C E E 15.96 15.87 27.85 43.99 122.35 -167.13 -117.88 131.84 0.36 99.63 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.01 28 V E E 5.32 25.17 21.13 46.43 119.81 -164.45 -114.22 126.21 0.25 99.75 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 29 Y E E 62.80 12.30 27.01 39.40 123.26 -171.07 -121.75 131.56 0.36 99.64 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.65 0.00 30 R E E 73.83 17.92 19.14 35.87 117.70 -154.81 -105.03 126.78 4.76 95.23 0.01 4.14 0.33 0.03 0.00 0.01 0.00 95.38 0.11 31 S C C 28.07 9.93 18.90 29.88 131.16 172.07 -120.70 177.85 81.78 18.19 0.03 79.46 1.29 0.09 0.01 0.02 0.00 18.85 0.28 32 S C S 77.57 4.99 17.83 23.98 91.86 -91.17 -65.08 -27.91 99.65 0.23 0.12 2.18 78.58 18.96 0.01 0.09 0.00 0.15 0.04 33 Q C S 102.46 6.28 17.68 24.59 103.72 27.44 -108.33 -16.84 99.57 0.31 0.12 1.52 79.65 18.48 0.01 0.09 0.00 0.22 0.04 34 H E E 54.54 11.10 21.04 32.65 143.22 12.77 -155.96 160.28 33.26 66.71 0.03 26.16 5.58 0.20 0.00 0.03 0.00 67.71 0.33 35 I E E 7.11 24.13 17.64 42.57 119.40 -132.28 -111.59 129.95 1.00 98.99 0.00 0.97 0.02 0.00 0.00 0.00 0.00 99.00 0.01 36 Y E E 40.15 13.71 27.24 41.42 124.25 -168.90 -120.10 137.57 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 37 A E E 1.88 26.43 20.55 47.55 127.66 -170.38 -125.48 142.56 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 38 Q E E 30.53 15.76 28.68 44.49 127.13 -169.98 -126.60 140.92 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 39 V E E 2.96 25.37 22.80 48.68 117.88 -150.30 -105.98 127.03 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 40 I E E 16.87 15.84 23.65 40.15 127.91 -173.56 -124.18 144.58 0.48 99.52 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.49 0.06 41 A E E 17.49 13.14 19.52 33.86 117.61 -117.12 -72.54 156.38 30.07 69.88 0.04 28.40 0.87 0.08 0.01 0.02 0.00 70.19 0.42 42 A C T 45.57 14.73 14.93 29.80 91.38 -107.84 -61.91 -27.64 96.56 0.57 2.86 1.10 7.30 88.26 0.14 2.66 0.00 0.40 0.15 43 D C T 110.77 1.88 18.40 19.84 94.86 56.57 -85.26 0.01 96.02 0.42 3.56 0.81 5.73 89.49 0.18 3.37 0.00 0.25 0.18 44 G C T 42.28 7.76 14.65 23.22 98.40 -96.26 88.39 3.62 95.93 0.46 3.61 4.97 17.22 72.85 0.19 4.29 0.00 0.28 0.19 45 G C C 41.85 7.06 16.27 24.21 98.53 117.58 -70.70 -10.04 98.63 0.64 0.72 59.25 14.21 25.19 0.11 0.65 0.00 0.42 0.17 46 K C C 117.57 4.76 19.79 25.52 119.80 95.67 -98.27 138.01 70.22 29.60 0.18 61.70 7.75 0.43 0.05 0.15 0.00 26.50 3.42 47 V E E 62.19 15.85 16.26 31.61 110.97 -126.41 -79.48 123.47 1.50 98.50 0.00 1.45 0.06 0.00 0.00 0.00 0.00 97.93 0.55 48 L E E 39.51 15.96 20.48 36.29 99.68 176.95 -93.54 -31.08 2.16 97.84 0.00 1.02 1.03 0.01 0.00 0.00 0.00 97.92 0.02 49 A E E 8.46 19.90 21.31 41.46 143.02 -1.61 -158.80 153.07 0.28 99.72 0.00 0.20 0.03 0.00 0.00 0.00 0.00 99.77 0.00 50 S E E 39.91 17.60 23.74 39.81 137.41 -171.24 -146.39 149.02 0.39 99.61 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.00 51 A E E 9.47 22.69 20.90 42.83 135.95 -173.86 -141.68 150.05 0.52 99.48 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.49 0.02 52 S E E 31.54 14.25 25.15 39.05 137.21 -176.09 -141.86 153.87 4.98 95.01 0.01 4.57 0.25 0.01 0.00 0.00 0.00 94.87 0.28 53 T C C 20.47 21.26 16.74 37.23 111.30 -128.77 -93.51 125.68 64.01 35.44 0.55 39.37 21.77 3.04 0.10 0.49 0.00 34.33 0.91 54 L C C 90.49 8.40 21.81 30.16 98.80 90.26 -89.92 1.01 93.41 5.04 1.55 47.67 39.15 7.11 0.41 1.10 0.00 3.42 1.13 55 D C C 50.14 12.15 14.52 27.60 110.50 107.49 -83.19 121.23 92.11 1.76 6.13 68.31 20.63 3.07 4.25 1.87 0.00 0.67 1.20 56 K H H 137.32 4.08 16.07 21.97 93.75 -151.03 -63.96 -31.39 24.63 0.23 75.14 3.54 3.44 15.89 39.86 36.98 0.05 0.12 0.13 57 D H H 89.59 4.13 18.46 23.34 92.41 61.09 -67.54 -29.61 21.42 0.24 78.34 2.97 2.46 13.92 42.37 38.01 0.05 0.13 0.10 58 L H H 16.29 21.16 11.64 31.96 94.42 53.81 -74.32 -27.71 18.14 0.40 81.47 4.65 2.94 9.26 43.93 38.82 0.03 0.21 0.15 59 R H H 107.71 12.02 15.55 27.36 95.53 61.12 -76.97 -15.12 38.39 1.33 60.28 15.60 8.54 15.20 41.89 17.31 0.10 0.62 0.73 60 E C T 134.59 2.89 17.08 20.62 107.94 63.75 -80.06 108.98 67.36 1.01 31.63 18.96 16.43 32.90 22.77 7.70 0.04 0.40 0.79 61 G C C 48.70 4.69 15.99 21.64 111.23 8.55 91.00 -0.54 88.04 0.60 11.36 38.60 20.11 29.89 6.20 4.50 0.00 0.24 0.46 62 A C C 62.09 9.27 14.56 24.23 106.84 -65.05 -86.42 76.55 90.27 0.81 8.92 59.87 15.07 15.31 2.95 5.84 0.00 0.36 0.61 63 T C C 72.80 9.57 16.68 26.53 112.37 53.01 -89.15 127.41 90.91 1.15 7.94 49.38 18.14 23.79 2.48 4.93 0.00 0.50 0.77 64 G C C 35.42 12.63 17.46 29.41 102.21 -43.02 81.30 6.73 91.42 1.44 7.14 44.83 30.08 17.09 2.36 4.17 0.00 0.59 0.88 65 N C C 68.27 8.67 21.21 30.23 117.62 127.50 -96.55 139.10 85.38 2.56 12.06 46.92 35.53 2.51 11.37 0.98 0.00 0.55 2.13 66 I H H 56.31 17.70 17.17 33.79 93.94 -135.42 -63.32 -35.93 4.98 0.03 94.99 1.34 1.17 2.29 94.64 0.53 0.01 0.01 0.01 67 D H H 87.87 3.55 26.05 29.75 91.83 53.23 -64.41 -40.82 2.21 0.01 97.77 0.60 0.27 1.20 97.41 0.51 0.00 0.01 0.00 68 A H H 11.55 15.55 21.75 37.94 91.34 50.65 -64.29 -42.11 0.52 0.00 99.48 0.11 0.04 0.28 99.22 0.35 0.00 0.00 0.00 69 A H H 1.28 27.06 19.44 46.97 91.17 51.35 -63.60 -42.55 0.36 0.00 99.64 0.06 0.02 0.21 99.48 0.22 0.00 0.00 0.00 70 K H H 75.55 14.06 26.97 40.22 91.53 51.07 -63.64 -41.88 0.54 0.00 99.46 0.05 0.02 0.36 99.46 0.11 0.00 0.00 0.00 71 K H H 88.00 6.70 30.12 38.36 91.39 50.15 -64.21 -41.85 0.38 0.00 99.62 0.03 0.01 0.25 99.65 0.04 0.00 0.00 0.00 72 V H H 1.95 25.67 25.79 50.99 91.60 49.85 -63.97 -43.95 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 73 G H H 0.73 27.03 24.48 51.51 91.37 51.37 -62.97 -42.94 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 74 Q H H 70.96 10.24 29.48 40.79 91.55 50.43 -64.01 -41.73 0.12 0.00 99.88 0.00 0.00 0.08 99.90 0.01 0.00 0.00 0.00 75 L H H 35.76 11.32 28.92 41.73 91.43 49.97 -63.96 -42.84 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 76 V H H 0.85 27.51 25.48 53.03 91.45 49.31 -64.34 -43.86 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 77 A H H 2.99 24.42 23.34 47.27 91.11 51.30 -62.58 -43.42 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 78 E H H 93.05 4.51 29.24 34.50 91.11 49.85 -63.36 -42.46 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 79 R H H 64.27 12.13 25.68 37.85 91.88 49.15 -64.69 -41.88 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 80 A H H 0.78 27.69 15.97 44.87 90.80 50.74 -63.10 -43.18 0.08 0.00 99.92 0.00 0.00 0.06 99.91 0.03 0.00 0.00 0.00 81 K H H 99.48 11.51 20.95 32.28 91.21 50.18 -62.52 -41.44 0.26 0.00 99.74 0.01 0.01 0.24 99.62 0.13 0.00 0.00 0.00 82 A H H 83.89 1.73 22.65 23.68 90.12 53.52 -64.59 -28.92 3.37 0.00 96.63 0.03 0.05 3.61 96.11 0.21 0.00 0.00 0.00 83 A C T 33.97 13.84 15.67 30.20 92.32 54.96 -84.82 -4.49 74.71 0.01 25.28 0.16 0.49 74.09 24.81 0.44 0.00 0.00 0.01 84 G C T 43.39 3.78 23.79 28.13 97.88 -104.86 89.47 12.78 99.91 0.00 0.09 0.59 0.45 98.92 0.03 0.01 0.00 0.00 0.00 85 V C C 8.30 24.69 11.51 36.29 111.98 149.24 -81.91 122.21 90.21 9.75 0.04 90.74 0.38 0.04 0.01 0.01 0.00 8.35 0.46 86 T C C 74.80 6.53 24.25 31.64 101.58 172.07 -108.34 -11.56 83.92 16.04 0.04 69.59 12.53 0.27 0.01 0.04 0.00 17.28 0.29 87 Q E E 69.72 10.54 25.59 36.95 130.08 42.88 -133.64 140.57 9.93 90.01 0.06 8.25 1.31 0.13 0.01 0.04 0.00 90.05 0.21 88 V E E 3.68 26.51 18.75 45.87 127.50 -171.09 -128.97 138.02 1.21 98.77 0.02 1.15 0.05 0.01 0.01 0.00 0.00 98.71 0.08 89 A E E 18.04 16.56 27.46 43.64 124.11 -164.73 -116.64 138.08 1.97 98.00 0.02 1.90 0.07 0.01 0.01 0.01 0.00 97.90 0.10 90 F E E 13.52 23.91 20.10 43.55 124.17 -165.12 -118.02 136.31 16.41 83.54 0.05 15.89 0.42 0.04 0.02 0.02 0.00 83.29 0.33 91 D C C 49.38 12.18 22.82 35.12 109.42 -136.77 -93.75 115.29 57.54 42.19 0.27 50.42 4.86 0.60 0.06 0.20 0.00 43.02 0.83 92 R C C 64.64 16.79 14.34 30.98 100.72 -173.38 -97.45 8.77 86.15 8.72 5.13 67.93 10.22 7.54 1.11 4.45 0.00 6.67 2.08 93 S C T 74.20 5.15 15.08 21.80 105.70 134.38 -66.27 97.88 88.67 3.46 7.88 21.16 17.77 49.56 1.06 7.09 0.01 2.06 1.30 94 G C T 59.71 1.75 15.57 17.15 97.82 5.87 83.00 -0.68 89.39 1.59 9.02 11.11 26.17 51.98 0.93 8.23 0.00 0.88 0.71 95 F C C 97.07 10.61 10.17 21.33 120.03 97.49 -100.44 144.13 87.84 5.14 7.03 46.30 30.59 10.67 1.56 5.56 0.00 2.46 2.85 96 K C C 146.11 2.38 17.91 20.63 113.56 -125.74 -88.76 131.75 92.73 3.94 3.33 65.70 18.11 8.83 1.00 2.37 0.00 2.24 1.75 97 Y C C 96.23 15.67 10.75 25.58 115.94 -119.76 -92.90 129.50 92.35 4.02 3.63 73.13 12.90 6.01 1.67 1.90 0.00 1.88 2.51 98 H C C 99.83 5.47 16.56 23.49 130.10 168.02 -136.99 157.15 93.49 1.39 5.13 80.17 10.10 2.70 4.74 0.86 0.00 0.51 0.91 99 G H H 45.15 3.46 19.65 23.52 112.04 -33.13 62.91 -133.51 21.45 0.15 78.40 4.71 9.05 8.12 76.72 1.23 0.03 0.04 0.10 100 R H H 82.10 15.01 19.13 33.50 93.12 -3.46 -67.18 -33.65 5.16 0.04 94.80 1.06 0.82 3.15 94.02 0.92 0.01 0.01 0.01 101 V H H 7.00 24.45 17.62 41.72 91.84 54.84 -64.05 -41.70 1.78 0.02 98.19 0.54 0.22 0.93 97.65 0.65 0.00 0.01 0.00 102 K H H 91.08 10.05 25.04 35.11 91.55 52.34 -62.98 -41.32 0.47 0.00 99.53 0.13 0.04 0.22 99.40 0.21 0.00 0.00 0.00 103 A H H 29.05 8.50 25.84 35.54 91.56 50.97 -63.84 -42.23 0.25 0.00 99.75 0.04 0.02 0.14 99.71 0.09 0.00 0.00 0.00 104 L H H 5.19 24.50 23.64 47.45 92.05 49.46 -64.62 -42.99 0.18 0.00 99.82 0.02 0.01 0.11 99.80 0.06 0.00 0.00 0.00 105 A H H 6.12 22.01 22.89 44.37 91.18 50.31 -62.39 -43.47 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 106 D H H 71.75 4.42 28.65 33.53 91.41 50.22 -63.58 -41.83 0.30 0.00 99.70 0.04 0.01 0.17 99.73 0.04 0.00 0.00 0.00 107 A H H 14.23 13.24 22.96 37.24 91.49 50.69 -63.29 -42.95 0.31 0.00 99.69 0.05 0.02 0.19 99.66 0.08 0.00 0.00 0.00 108 A H H 2.42 25.33 16.74 42.58 91.24 50.37 -63.38 -42.78 0.61 0.00 99.39 0.10 0.05 0.39 99.25 0.21 0.00 0.00 0.00 109 R H H 118.36 9.62 20.76 30.69 91.75 49.93 -63.18 -41.04 2.11 0.02 97.86 0.39 0.20 1.48 97.37 0.53 0.01 0.01 0.01 110 E H H 137.46 2.19 21.39 23.37 90.64 53.25 -65.21 -28.76 9.31 0.02 90.66 0.37 0.42 8.65 89.95 0.58 0.01 0.01 0.01 111 G C T 24.48 13.40 14.58 28.58 93.27 54.53 -86.79 -0.30 81.94 0.04 18.02 0.56 1.30 78.82 18.67 0.61 0.00 0.01 0.03 112 G C T 49.73 2.83 21.39 24.30 98.02 -100.07 88.76 9.35 99.34 0.12 0.55 2.97 2.07 94.50 0.24 0.12 0.00 0.06 0.04 113 L C C 18.91 22.47 9.42 31.06 117.38 141.27 -84.48 138.30 95.39 4.21 0.40 93.15 2.06 0.65 0.15 0.20 0.00 3.06 0.72 114 E C C 129.54 2.88 22.44 25.60 114.19 -139.10 -93.23 129.28 66.37 33.21 0.41 66.20 0.67 0.84 0.17 0.18 0.00 23.96 7.98 115 F C C 50.25 21.67 13.86 34.08 117.20 -159.28 -100.79 130.72 95.51 4.48 0.01 96.45 0.09 0.01 0.00 0.00 0.00 3.25 0.19