# 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 I C C 84.05 10.00 11.15 21.97 116.75 -161.42 -100.28 125.77 99.89 0.09 0.01 99.84 0.07 0.02 0.00 0.00 0.00 0.04 0.01 1 T C C 92.29 3.40 11.13 16.31 118.49 -159.73 -101.08 138.83 96.36 2.38 1.26 94.83 0.83 1.06 0.86 0.21 0.00 1.06 1.15 2 K C C 137.23 3.61 9.66 15.36 115.79 -129.44 -92.42 133.54 92.40 1.57 6.03 76.40 12.23 3.41 5.26 1.16 0.00 0.74 0.79 3 P C C 77.26 6.04 9.12 16.96 112.05 -110.39 -69.11 149.61 82.79 0.96 16.25 65.36 7.80 8.96 13.45 3.45 0.00 0.49 0.49 4 D C C 93.47 3.66 11.08 16.22 108.71 -115.14 -81.74 122.89 75.95 0.94 23.11 61.04 6.52 7.63 20.12 3.75 0.00 0.41 0.52 5 K H H 136.65 3.59 11.10 16.13 96.99 -138.96 -71.89 -22.88 44.80 0.59 54.61 21.70 10.09 13.89 49.00 4.75 0.02 0.26 0.30 6 N H H 90.41 4.35 11.56 17.30 97.13 61.25 -75.72 -22.20 40.43 0.50 59.06 20.75 8.19 12.12 54.79 3.67 0.01 0.21 0.25 7 K H H 113.19 3.24 12.94 17.21 95.21 61.57 -67.65 -38.07 24.31 0.38 75.31 15.39 4.72 5.16 71.84 2.57 0.01 0.16 0.16 8 T H H 68.26 3.44 13.47 18.08 93.31 53.28 -65.54 -41.02 13.93 0.27 85.80 9.31 2.33 3.13 83.34 1.66 0.00 0.13 0.10 9 R H H 112.31 5.16 13.73 20.12 92.72 50.75 -65.84 -40.22 7.17 0.23 92.60 4.30 1.16 2.25 90.71 1.39 0.00 0.13 0.07 10 Q H H 91.41 4.10 14.68 19.82 92.48 51.05 -65.00 -40.96 5.01 0.16 94.83 2.77 0.74 1.75 93.49 1.10 0.00 0.10 0.04 11 K H H 113.92 2.07 16.50 18.27 92.26 50.23 -65.09 -41.31 4.32 0.09 95.59 2.06 0.61 1.75 94.53 0.97 0.01 0.05 0.03 12 R H H 113.99 4.06 16.08 21.03 92.21 50.10 -65.36 -40.92 4.48 0.08 95.45 1.84 0.61 2.04 94.52 0.92 0.01 0.04 0.03 13 H H H 74.02 8.83 14.25 24.36 92.41 50.67 -65.04 -40.46 5.07 0.07 94.86 2.03 0.65 2.36 93.94 0.95 0.01 0.03 0.02 14 R H H 131.21 3.06 16.84 20.37 92.04 51.25 -64.95 -40.31 5.45 0.08 94.47 2.04 0.71 2.66 93.27 1.23 0.01 0.04 0.03 15 R H H 132.20 2.10 17.54 19.14 92.28 50.41 -65.50 -40.28 7.25 0.14 92.61 2.73 0.97 3.62 90.91 1.64 0.02 0.07 0.05 16 V H H 49.02 9.26 14.85 25.47 93.21 49.76 -66.44 -40.88 9.12 0.20 90.68 3.67 1.37 4.43 88.27 2.07 0.02 0.11 0.07 17 R H H 104.09 10.42 14.58 25.55 92.47 53.81 -65.01 -37.54 10.98 0.20 88.82 4.04 1.58 5.69 84.55 3.93 0.02 0.11 0.08 18 N H H 110.09 2.32 17.18 19.69 93.22 53.33 -69.28 -30.13 19.12 0.21 80.68 4.37 2.37 12.31 73.27 7.41 0.05 0.11 0.10 19 K H H 130.18 3.46 17.12 21.08 96.22 53.20 -77.25 -23.45 29.73 0.45 69.82 6.68 4.14 19.19 61.88 7.57 0.09 0.22 0.23 20 I H H 51.25 15.83 11.64 26.79 102.51 61.56 -90.63 1.08 46.00 1.75 52.25 17.21 8.63 22.50 44.55 5.23 0.15 0.77 0.95 21 S C T 67.76 6.61 14.51 22.60 111.68 128.34 -82.77 130.20 76.12 2.26 21.63 26.13 11.15 38.76 17.13 4.50 0.02 1.05 1.25 22 G C T 51.43 4.13 15.74 20.92 103.81 25.48 83.99 -5.87 88.06 1.10 10.84 22.20 21.29 45.36 5.10 4.92 0.00 0.55 0.58 23 T C C 72.18 7.38 14.29 22.72 109.21 87.19 -92.62 89.89 84.31 2.47 13.22 56.70 15.97 10.96 4.74 8.78 0.00 1.09 1.77 24 A C S 57.74 10.56 13.55 24.50 99.23 -126.98 -72.91 -15.45 87.06 1.56 11.38 20.82 34.22 32.78 2.03 8.57 0.00 0.75 0.83 25 E C S 126.08 4.44 19.56 24.69 99.75 66.84 -83.23 -9.35 88.32 2.76 8.92 23.74 34.49 30.53 1.14 7.60 0.00 1.53 0.97 26 C C C 40.48 14.32 18.44 32.71 117.94 59.45 -109.45 119.50 96.23 3.56 0.21 48.66 47.71 0.56 0.04 0.15 0.00 2.28 0.58 27 P C C 14.54 20.60 18.48 39.25 116.14 -123.11 -68.82 148.22 91.00 8.94 0.06 88.27 2.58 0.22 0.01 0.04 0.00 8.53 0.35 28 R E E 66.02 14.61 25.97 40.09 123.97 -151.41 -116.77 138.66 9.45 90.54 0.01 8.81 0.54 0.03 0.00 0.01 0.00 89.76 0.85 29 L E E 6.11 25.94 20.17 46.34 121.98 -159.88 -115.08 131.91 1.33 98.67 0.00 1.23 0.04 0.00 0.00 0.00 0.00 98.70 0.03 30 N E E 32.25 13.87 27.63 41.73 121.99 -168.74 -118.05 131.70 0.33 99.67 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.00 31 I E E 12.32 24.19 20.21 44.15 119.88 -163.21 -114.33 126.47 0.19 99.81 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 32 F E E 56.16 11.89 25.81 37.89 127.95 -174.17 -125.37 140.11 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 33 R E E 85.45 16.31 18.77 34.17 119.83 -148.41 -106.22 129.77 3.42 96.57 0.00 3.06 0.16 0.01 0.00 0.00 0.00 96.68 0.09 34 S C C 29.78 9.72 17.87 28.69 131.52 169.69 -124.15 -174.89 76.35 23.62 0.03 73.93 1.26 0.10 0.01 0.02 0.00 24.33 0.36 35 N C S 112.89 4.63 16.85 22.57 92.06 -90.40 -65.65 -26.34 99.63 0.23 0.13 1.90 75.90 21.91 0.01 0.10 0.00 0.15 0.04 36 K C S 125.66 4.36 17.53 22.54 103.77 25.92 -108.53 -17.92 99.55 0.31 0.14 1.46 78.05 20.13 0.01 0.11 0.00 0.21 0.04 37 N E E 44.69 10.46 20.31 31.52 142.72 7.90 -156.78 159.87 35.78 64.19 0.03 28.47 5.81 0.22 0.00 0.03 0.00 65.10 0.35 38 I E E 8.37 23.66 16.87 41.24 119.89 -132.84 -113.11 130.26 1.03 98.96 0.00 0.98 0.02 0.00 0.00 0.00 0.00 98.98 0.02 39 Y E E 42.98 12.84 26.78 40.24 124.75 -170.06 -119.91 137.72 0.08 99.92 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 40 A E E 2.19 26.18 20.04 46.76 127.08 -169.31 -125.66 140.63 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 41 Q E E 33.36 14.98 28.42 43.54 125.43 -168.72 -123.93 136.40 0.10 99.90 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 42 V E E 3.92 24.76 22.72 47.75 117.99 -154.22 -107.27 126.62 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 43 I E E 20.73 15.67 23.13 39.47 124.25 -168.95 -119.77 134.73 0.30 99.70 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.69 0.03 44 D E E 28.18 13.10 19.28 33.77 108.24 -126.50 -80.64 117.01 14.15 85.83 0.01 13.46 0.31 0.03 0.00 0.01 0.00 85.90 0.29 45 D C T 58.96 13.45 15.83 29.87 93.79 -157.01 -70.19 -24.10 99.03 0.16 0.82 0.31 2.84 96.16 0.04 0.53 0.00 0.09 0.03 46 V C T 99.00 3.97 17.05 21.93 97.76 49.11 -77.13 -40.75 99.07 0.09 0.85 0.21 2.32 96.78 0.03 0.60 0.00 0.04 0.03 47 A C T 65.51 3.62 15.42 19.70 97.50 26.24 -94.70 -15.32 99.35 0.04 0.60 0.34 1.85 97.33 0.03 0.41 0.00 0.02 0.01 48 G C C 43.15 6.78 14.17 22.59 95.34 -123.80 74.39 12.26 99.15 0.47 0.38 49.06 5.48 44.67 0.09 0.23 0.00 0.38 0.09 49 V C C 67.71 7.05 18.33 26.71 118.41 140.22 -93.10 137.14 53.51 46.42 0.07 48.26 4.83 0.20 0.02 0.05 0.00 42.31 4.33 50 T E E 54.73 15.25 17.50 32.42 110.79 -122.05 -78.01 123.97 0.82 99.18 0.00 0.80 0.03 0.00 0.00 0.00 0.00 98.85 0.32 51 L E E 33.44 17.04 20.96 37.83 99.99 176.18 -94.80 -30.01 2.63 97.37 0.00 1.12 1.40 0.02 0.00 0.00 0.00 97.44 0.02 52 A E E 7.20 20.73 21.38 42.38 143.78 -1.24 -159.25 153.36 0.39 99.61 0.00 0.27 0.04 0.00 0.00 0.00 0.00 99.68 0.00 53 S E E 38.11 17.25 24.25 40.22 137.61 -172.41 -145.39 149.78 0.49 99.51 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.55 0.01 54 A E E 8.94 22.87 20.69 42.93 135.16 -172.81 -140.21 148.96 0.90 99.10 0.00 0.84 0.03 0.00 0.00 0.00 0.00 99.10 0.03 55 S E E 32.47 14.00 24.95 38.67 136.86 -176.36 -140.51 155.08 8.46 91.51 0.03 7.58 0.66 0.06 0.01 0.02 0.00 91.23 0.44 56 A C C 20.19 20.09 17.51 36.65 110.33 -135.54 -94.04 118.49 67.45 29.99 2.56 35.13 27.02 6.25 0.50 1.89 0.00 27.95 1.26 57 L C S 85.83 9.46 21.25 30.51 99.12 -146.38 -88.49 1.76 86.63 5.83 7.54 35.07 36.79 15.80 1.90 5.18 0.01 3.71 1.55 58 D C C 55.17 12.39 14.51 27.42 112.50 109.22 -83.84 127.83 76.63 1.94 21.42 46.34 17.11 12.97 5.77 15.86 0.00 1.00 0.94 59 K C T 149.74 3.65 16.37 21.69 94.25 -153.86 -69.78 -20.65 61.16 0.93 37.91 17.08 13.47 30.76 7.33 30.36 0.01 0.47 0.52 60 E C G 122.39 4.13 19.32 24.13 95.07 64.52 -77.59 -14.77 60.89 1.83 37.29 23.07 10.55 27.68 7.61 29.28 0.01 1.00 0.80 61 I C C 21.12 22.24 10.55 31.43 103.22 69.35 -89.37 21.74 74.66 3.29 22.05 51.66 14.50 8.28 7.85 14.38 0.00 1.46 1.87 62 S C C 64.98 7.86 16.65 25.46 114.78 112.36 -97.53 131.41 95.36 1.18 3.47 84.39 5.99 5.17 1.80 1.38 0.00 0.65 0.62 63 G C C 50.42 3.97 16.15 21.23 121.10 82.49 92.89 160.97 97.55 0.90 1.56 71.28 18.20 8.07 0.61 0.87 0.00 0.41 0.55 64 G C C 45.91 4.09 15.85 21.08 123.13 36.04 111.06 -174.20 96.56 1.11 2.33 52.55 34.98 9.16 1.08 1.13 0.00 0.44 0.66 65 T C C 86.26 6.20 16.31 23.47 114.66 -46.94 -91.33 138.00 93.71 1.74 4.55 65.39 21.74 6.47 3.02 1.52 0.00 0.68 1.18 66 K C H 98.54 10.65 17.61 28.21 106.06 -119.49 -79.26 128.58 52.17 1.43 46.40 29.68 18.06 4.97 44.52 1.52 0.01 0.40 0.84 67 T H H 53.92 15.22 17.52 31.68 94.08 55.54 -63.83 -39.37 9.89 0.11 90.00 4.20 2.23 3.60 88.87 1.00 0.01 0.04 0.05 68 E H H 108.41 4.11 24.64 28.87 92.08 51.41 -65.06 -40.19 4.30 0.06 95.63 2.20 0.54 1.55 94.85 0.80 0.00 0.03 0.02 69 T H H 26.52 14.94 22.13 36.94 91.85 50.52 -64.77 -41.83 1.46 0.02 98.53 0.71 0.16 0.53 98.15 0.43 0.00 0.01 0.00 70 A H H 2.49 25.37 20.66 45.89 91.35 51.11 -63.92 -42.57 0.59 0.00 99.40 0.17 0.05 0.29 99.27 0.22 0.00 0.00 0.00 71 A H H 30.73 13.68 26.82 40.37 91.48 50.76 -63.87 -42.10 0.53 0.00 99.47 0.10 0.04 0.31 99.40 0.15 0.00 0.00 0.00 72 A H H 34.72 7.83 29.57 39.20 91.46 50.45 -63.96 -42.16 0.57 0.00 99.43 0.08 0.03 0.38 99.41 0.10 0.00 0.00 0.00 73 V H H 2.06 25.56 25.79 50.89 91.69 49.75 -64.02 -44.03 0.23 0.00 99.77 0.03 0.01 0.14 99.78 0.04 0.00 0.00 0.00 74 G H H 1.00 26.50 24.48 50.80 91.31 51.38 -62.99 -43.10 0.16 0.00 99.84 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 75 K H H 86.14 9.83 29.37 40.21 91.45 50.38 -63.74 -41.67 0.11 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 76 L H H 37.33 11.25 28.67 41.28 91.47 49.96 -63.87 -42.69 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 77 V H H 1.13 26.88 25.17 51.93 91.59 49.27 -64.47 -43.90 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 78 A H H 3.51 24.05 22.95 46.51 91.02 51.22 -62.96 -43.19 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 79 E H H 93.68 4.60 28.67 33.85 91.20 50.06 -63.53 -42.08 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 80 R H H 63.97 10.74 25.00 36.10 91.71 49.04 -64.73 -41.47 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 81 A H H 1.39 25.77 15.49 42.16 91.01 50.66 -63.23 -43.18 0.25 0.00 99.75 0.02 0.01 0.18 99.74 0.06 0.00 0.00 0.00 82 A H H 46.24 12.62 18.78 31.25 91.34 51.03 -62.59 -41.18 0.77 0.00 99.23 0.03 0.02 0.66 98.99 0.29 0.00 0.00 0.00 83 E H H 146.25 1.31 20.86 21.07 90.02 53.49 -65.30 -27.80 6.26 0.00 93.74 0.07 0.11 6.43 92.98 0.40 0.00 0.00 0.00 84 K C T 95.55 9.52 15.60 26.07 92.82 52.35 -88.25 1.35 79.02 0.01 20.97 0.21 0.62 78.23 20.37 0.55 0.00 0.00 0.01 85 G C T 47.59 3.10 22.59 25.61 96.66 -104.41 85.84 13.66 99.88 0.01 0.11 0.68 0.59 98.67 0.03 0.01 0.00 0.00 0.00 86 I C C 12.27 23.88 10.47 34.17 112.30 151.30 -81.71 123.71 88.39 11.54 0.07 88.97 0.40 0.06 0.02 0.02 0.00 9.98 0.55 87 K C C 119.05 5.29 23.72 30.06 101.30 173.32 -105.29 -17.51 78.59 21.34 0.07 66.35 10.35 0.33 0.01 0.07 0.00 22.53 0.36 88 K E E 80.22 10.09 25.42 36.34 130.09 40.22 -134.41 139.56 11.90 88.02 0.08 9.95 1.62 0.16 0.01 0.05 0.00 87.97 0.23 89 V E E 3.18 26.59 18.58 45.95 124.21 -168.50 -125.35 133.74 1.73 98.25 0.02 1.65 0.07 0.01 0.00 0.00 0.00 98.18 0.08 90 V E E 22.25 16.19 27.86 44.02 119.40 -163.06 -112.91 127.86 1.91 98.08 0.01 1.86 0.07 0.01 0.01 0.00 0.00 97.93 0.13 91 F E E 10.45 24.22 21.01 44.91 120.76 -165.28 -110.12 129.95 15.08 84.87 0.04 14.56 0.39 0.04 0.01 0.02 0.00 84.68 0.30 92 D C C 44.05 13.84 23.36 36.96 109.64 -146.40 -96.98 110.82 57.38 42.41 0.21 49.75 5.13 0.65 0.04 0.17 0.00 43.57 0.69 93 R C C 58.50 17.05 16.10 32.83 99.99 172.88 -96.44 4.75 85.26 11.87 2.87 67.24 10.97 6.57 0.62 2.56 0.00 9.49 2.54 94 G C T 44.36 7.15 16.67 24.82 100.53 -140.64 55.89 30.57 87.88 4.92 7.20 24.83 21.74 41.43 0.85 6.57 0.01 2.87 1.71 95 G C T 54.49 3.94 16.37 20.91 98.53 -30.16 82.44 0.50 88.41 2.25 9.34 11.58 30.38 46.51 0.90 8.43 0.00 1.25 0.93 96 Y C C 109.41 9.80 13.03 23.72 119.56 103.26 -99.79 142.01 82.72 7.91 9.37 37.55 30.70 14.80 1.95 7.25 0.03 3.92 3.81 97 L C C 95.74 6.76 17.68 25.31 114.01 -130.30 -88.21 132.69 87.31 7.39 5.30 56.15 20.29 10.87 1.61 3.79 0.01 4.32 2.97 98 Y C C 86.01 16.50 12.14 27.91 114.36 -121.15 -91.34 125.07 89.55 5.38 5.07 67.68 13.96 7.53 2.18 2.96 0.00 2.98 2.70 99 H C C 99.45 5.93 17.41 24.81 129.10 167.87 -136.48 153.83 91.86 2.16 5.98 71.50 16.63 3.06 5.65 0.99 0.00 0.80 1.38 100 G H H 43.24 3.83 20.16 24.50 113.16 -23.75 63.29 -136.01 23.75 0.19 76.06 4.71 10.73 9.02 74.15 1.18 0.04 0.05 0.12 101 R H H 78.89 15.79 19.45 34.39 92.81 0.38 -67.35 -33.59 5.73 0.05 94.22 1.23 0.97 3.46 93.44 0.85 0.01 0.02 0.02 102 V H H 5.94 24.82 18.10 42.62 91.75 53.68 -64.30 -41.61 1.86 0.04 98.10 0.59 0.23 0.94 97.71 0.49 0.00 0.02 0.01 103 Q H H 77.40 10.17 25.24 35.42 91.60 52.03 -63.13 -41.46 0.52 0.00 99.48 0.15 0.05 0.24 99.38 0.18 0.00 0.00 0.00 104 A H H 26.09 9.05 25.63 35.95 91.57 51.03 -63.97 -42.08 0.25 0.00 99.75 0.04 0.01 0.13 99.74 0.07 0.00 0.00 0.00 105 L H H 4.39 24.86 23.56 47.79 91.95 49.86 -64.34 -43.12 0.15 0.00 99.85 0.02 0.01 0.09 99.85 0.04 0.00 0.00 0.00 106 A H H 6.34 21.60 22.83 43.96 91.29 50.51 -62.39 -42.95 0.16 0.00 99.84 0.02 0.01 0.09 99.87 0.02 0.00 0.00 0.00 107 E H H 93.39 4.11 28.40 32.75 91.35 50.09 -63.44 -41.91 0.24 0.00 99.76 0.03 0.01 0.14 99.79 0.03 0.00 0.00 0.00 108 A H H 12.88 13.07 22.20 36.57 91.49 50.77 -63.27 -43.07 0.28 0.00 99.72 0.04 0.02 0.17 99.72 0.06 0.00 0.00 0.00 109 A H H 2.42 24.76 15.92 41.29 91.14 50.41 -63.27 -42.84 0.54 0.00 99.45 0.09 0.04 0.35 99.36 0.16 0.00 0.00 0.00 110 R H H 121.23 8.82 19.80 29.21 91.49 50.30 -63.26 -41.23 1.64 0.01 98.35 0.28 0.14 1.16 97.97 0.44 0.00 0.01 0.01 111 E H H 137.95 2.07 20.11 22.04 90.43 53.07 -64.80 -28.91 7.53 0.01 92.45 0.25 0.27 7.07 91.93 0.46 0.01 0.00 0.01 112 N C T 61.48 11.57 14.31 26.83 93.74 51.25 -90.02 2.80 80.38 0.03 19.60 0.45 1.04 77.57 20.36 0.56 0.00 0.00 0.02 113 G C T 51.28 2.48 20.78 23.12 97.36 -99.90 87.07 9.42 99.60 0.04 0.36 2.11 1.46 96.18 0.15 0.07 0.00 0.02 0.01 114 L C C 18.33 22.33 9.22 30.65 117.38 141.15 -84.83 138.99 96.70 3.02 0.28 94.93 1.67 0.49 0.10 0.13 0.00 2.11 0.57 115 E C C 130.87 2.75 22.61 25.54 113.82 -137.57 -91.99 128.72 73.31 26.32 0.37 73.79 0.64 0.75 0.16 0.15 0.00 17.75 6.76 116 F C C 44.12 22.21 13.66 34.53 116.89 -157.40 -101.45 130.06 97.14 2.86 0.01 97.83 0.08 0.01 0.00 0.00 0.00 1.94 0.14