# 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 A C C 63.56 7.44 11.54 20.26 120.62 -165.80 -100.46 139.95 99.77 0.21 0.01 99.71 0.11 0.04 0.01 0.00 0.00 0.12 0.02 1 K C C 145.47 2.78 11.60 16.19 117.57 -152.53 -102.91 134.12 84.31 14.20 1.49 81.80 1.17 1.54 0.61 0.57 0.00 11.26 3.05 2 S C C 73.06 5.43 8.89 16.04 117.05 -153.85 -102.94 134.75 79.78 17.41 2.80 64.73 9.86 4.49 0.95 1.96 0.00 14.64 3.37 3 Y C C 146.52 4.85 9.97 16.57 114.29 -155.97 -98.50 126.29 82.66 14.97 2.37 65.56 11.84 4.63 0.68 1.86 0.00 12.65 2.78 4 T C C 89.07 5.27 10.72 17.54 115.51 -167.50 -103.47 131.34 89.77 8.81 1.42 67.78 19.07 2.92 0.41 1.11 0.00 6.40 2.32 5 R C C 154.16 3.82 12.57 18.21 118.00 -137.93 -100.60 133.61 96.62 3.01 0.38 75.92 20.28 0.71 0.13 0.23 0.00 1.91 0.82 6 P C C 66.27 10.57 10.09 21.39 114.15 -110.57 -68.09 147.82 93.15 2.93 3.92 83.96 5.43 4.00 0.90 2.85 0.00 2.06 0.80 7 Q C C 123.55 3.63 14.74 19.50 111.63 -138.04 -95.85 128.49 85.26 8.75 5.99 64.58 13.31 6.80 1.48 4.89 0.00 5.54 3.39 8 F C C 93.25 11.70 10.05 22.04 119.22 -156.49 -106.58 137.98 81.13 13.09 5.78 56.35 17.74 6.54 1.59 4.59 0.01 8.19 5.00 9 R C C 147.69 3.80 14.75 20.03 120.94 -154.76 -107.97 137.82 86.94 10.00 3.06 65.94 16.70 3.77 0.93 2.35 0.00 6.21 4.10 10 R C C 124.92 8.64 11.89 21.75 115.97 -118.82 -84.73 135.37 97.39 2.31 0.30 82.19 14.97 0.47 0.13 0.15 0.00 1.32 0.77 11 P C C 53.81 10.34 10.04 21.59 112.71 -107.42 -65.71 148.72 91.86 2.03 6.12 82.44 4.42 5.33 1.84 3.89 0.00 1.17 0.90 12 H C C 158.19 1.59 12.96 14.99 96.64 -129.29 -72.97 -20.64 79.78 2.22 18.00 33.64 25.47 21.36 3.83 13.47 0.00 1.06 1.15 13 T C C 85.97 4.02 11.49 16.88 106.88 55.46 -97.56 31.40 73.40 5.60 21.00 34.36 20.55 19.65 4.36 15.68 0.03 2.99 2.39 14 Y C C 120.00 8.56 8.87 18.33 107.14 116.50 -90.60 79.74 76.49 6.25 17.27 47.01 17.85 11.47 4.09 13.35 0.01 3.60 2.62 15 R C C 156.89 3.23 11.65 16.66 113.52 145.30 -94.46 126.63 87.66 5.01 7.33 56.66 24.83 5.99 2.36 4.84 0.00 2.61 2.71 16 K C C 127.33 4.32 10.69 16.98 116.85 -113.49 -84.68 140.49 97.04 1.78 1.18 76.32 19.60 1.23 0.52 0.58 0.00 0.85 0.89 17 P C C 91.68 4.08 11.11 17.07 113.72 -103.83 -66.43 147.91 92.40 1.82 5.78 80.11 5.61 6.82 1.62 3.92 0.00 1.08 0.84 18 A C C 74.83 5.40 9.10 16.37 111.96 -109.07 -77.37 139.31 88.87 4.60 6.53 60.16 18.09 10.08 1.57 5.22 0.00 2.38 2.49 19 M C C 133.34 2.70 11.30 15.66 115.73 -134.07 -96.15 134.21 91.08 4.98 3.94 62.25 24.26 4.54 1.04 2.94 0.00 2.93 2.03 20 A C C 68.34 6.52 9.38 17.62 113.81 -112.23 -71.02 145.20 92.54 5.04 2.42 80.57 8.97 2.83 0.84 1.52 0.00 3.07 2.21 21 K C C 138.96 3.44 11.96 17.43 118.16 -146.24 -105.32 136.51 95.60 3.59 0.81 77.43 16.88 1.20 0.37 0.40 0.00 1.64 2.09 22 P C C 82.96 6.30 10.56 18.56 114.74 -106.77 -69.29 146.22 94.62 1.86 3.53 82.56 8.80 3.43 1.37 1.92 0.00 1.05 0.87 23 S C C 65.89 6.47 10.67 18.65 110.72 -106.97 -70.39 147.66 85.72 2.53 11.75 65.97 9.04 10.58 3.63 8.17 0.00 1.45 1.16 24 N C C 114.08 3.75 11.33 16.70 106.75 -127.03 -86.21 77.76 79.19 4.98 15.83 48.44 17.53 13.63 5.38 10.19 0.01 2.80 2.03 25 R C C 151.50 4.50 11.20 17.36 110.00 100.60 -93.11 111.11 74.56 8.89 16.55 48.06 17.57 9.20 7.87 8.68 0.02 5.55 3.04 26 V C C 90.27 6.35 10.97 18.74 112.60 -161.32 -96.02 120.39 77.27 10.10 12.64 54.53 16.61 5.94 7.85 5.18 0.02 6.50 3.37 27 T C C 84.87 5.70 11.91 19.16 114.80 -147.19 -99.07 127.19 84.33 7.30 8.38 64.30 16.48 3.37 6.15 2.67 0.01 4.82 2.21 28 V C C 75.52 8.92 10.31 20.28 113.63 -144.65 -88.21 134.71 81.44 6.27 12.29 67.78 8.29 4.91 8.85 3.87 0.00 4.35 1.96 29 E C C 124.14 3.81 12.86 18.08 111.60 -132.28 -88.59 127.08 83.82 3.68 12.50 68.29 9.04 6.06 8.92 3.93 0.00 2.13 1.63 30 S C C 65.48 7.18 10.13 18.53 105.69 -132.19 -78.16 33.91 62.42 1.98 35.60 34.52 12.89 15.37 21.76 13.47 0.02 1.00 0.96 31 K C H 151.07 2.41 13.30 16.72 98.30 69.65 -75.53 -14.74 57.60 1.44 40.96 21.75 14.09 22.25 25.18 15.20 0.06 0.69 0.77 32 D C C 85.83 5.86 13.26 20.30 100.72 59.73 -85.21 0.01 55.13 2.27 42.61 27.04 12.05 16.74 26.49 15.42 0.06 1.14 1.06 33 I C H 69.60 11.54 12.02 23.91 99.43 87.22 -77.61 -18.09 50.70 3.00 46.30 32.48 9.66 9.58 34.07 11.37 0.04 1.58 1.22 34 A H H 56.36 6.32 16.55 23.97 95.29 74.66 -66.31 -33.39 39.21 2.63 58.16 22.31 6.44 10.62 36.26 21.86 0.05 1.67 0.79 35 A H H 42.08 11.31 16.14 28.08 94.09 59.82 -69.56 -27.48 33.28 2.77 63.94 12.21 6.36 14.00 35.88 28.82 0.17 1.81 0.74 36 F H H 62.07 15.56 15.94 31.07 97.05 59.78 -81.49 -11.65 33.47 5.14 61.39 14.33 6.37 12.46 33.97 27.97 0.20 3.65 1.05 37 S C H 49.49 9.92 19.77 30.16 97.65 77.47 -76.23 -11.25 46.90 11.10 42.00 20.09 11.90 15.32 24.87 17.03 0.37 8.61 1.81 38 V C E 41.19 15.20 19.31 34.24 102.84 72.37 -89.35 -11.64 40.22 37.82 21.96 18.97 12.60 11.06 14.47 7.47 0.65 32.13 2.67 39 I E E 26.78 20.74 16.04 36.43 114.51 96.38 -94.03 123.32 22.07 69.72 8.21 15.98 4.01 2.56 6.31 2.66 0.05 63.88 4.56 40 R E E 109.32 11.05 21.37 32.07 104.33 -166.26 -96.61 -20.89 29.59 67.47 2.93 22.32 6.22 1.56 2.43 0.94 0.01 64.15 2.38 41 Y E E 90.20 10.99 21.45 32.63 129.49 24.14 -133.83 138.34 42.20 57.32 0.48 28.59 13.78 0.84 0.24 0.23 0.00 55.13 1.18 42 P C C 47.38 15.49 19.98 34.75 114.13 -108.40 -68.29 145.19 58.61 40.68 0.71 52.44 4.09 0.97 0.22 0.46 0.00 39.92 1.89 43 L C C 27.72 19.86 18.06 37.35 104.42 -131.59 -84.50 75.91 82.68 15.20 2.12 60.31 16.08 6.26 0.67 1.62 0.00 11.37 3.69 44 T C C 49.25 15.24 17.82 32.49 108.21 134.84 -103.40 69.45 91.68 6.37 1.95 58.37 27.64 6.35 0.66 1.28 0.00 3.56 2.14 45 T C C 51.90 7.19 17.65 25.94 128.80 81.60 -113.23 166.09 94.43 2.85 2.71 51.71 41.43 1.44 2.23 0.56 0.00 0.78 1.85 46 D H H 108.19 3.14 15.76 20.19 91.96 -104.64 -60.14 -37.70 12.13 0.12 87.75 2.37 4.06 6.49 84.89 2.03 0.05 0.04 0.07 47 K H H 127.08 2.36 18.93 21.11 91.87 52.24 -64.76 -40.03 8.62 0.10 91.28 1.44 1.32 6.08 88.19 2.82 0.06 0.05 0.04 48 A H H 9.32 18.01 13.77 32.32 92.18 49.65 -65.67 -40.74 5.19 0.13 94.68 1.76 0.82 2.90 91.32 3.05 0.02 0.08 0.04 49 M H H 49.77 14.26 16.06 30.54 91.87 52.61 -63.41 -41.54 3.14 0.10 96.76 1.30 0.53 1.50 94.97 1.59 0.01 0.06 0.02 50 K H H 116.13 1.97 21.90 22.26 91.78 51.16 -64.21 -41.00 3.98 0.15 95.87 1.53 0.60 2.05 94.60 1.06 0.02 0.09 0.04 51 K H H 77.08 7.46 18.62 27.12 92.20 50.14 -65.65 -40.94 3.74 0.23 96.03 1.33 0.59 2.08 94.73 1.05 0.03 0.14 0.05 52 I H H 17.74 20.04 12.51 32.17 92.41 50.12 -65.15 -41.21 3.12 0.24 96.65 1.21 0.51 1.63 95.30 1.12 0.02 0.15 0.05 53 E H H 116.06 5.34 17.49 23.96 92.99 49.61 -66.17 -39.08 4.25 0.10 95.65 0.97 0.46 2.80 94.24 1.41 0.02 0.07 0.02 54 E H H 140.32 1.28 17.92 17.91 94.71 45.94 -74.70 -33.78 9.81 0.08 90.11 0.93 0.90 7.88 88.91 1.25 0.05 0.03 0.04 55 N H H 77.99 7.33 15.81 24.14 100.92 28.51 -100.79 1.81 34.94 0.15 64.91 3.23 4.96 26.10 64.28 1.21 0.05 0.04 0.12 56 N C T 76.45 10.16 17.77 28.90 95.12 -125.84 58.22 40.57 98.97 0.61 0.42 28.21 9.84 61.06 0.12 0.20 0.00 0.49 0.08 57 T E E 19.84 16.47 19.50 36.47 127.57 132.53 -117.32 147.99 47.59 52.37 0.04 41.71 4.31 0.18 0.01 0.03 0.00 53.17 0.59 58 L E E 9.79 21.69 23.22 44.72 117.99 -137.22 -101.33 131.89 6.49 93.50 0.01 6.29 0.19 0.01 0.00 0.00 0.00 93.34 0.17 59 T E E 12.12 20.22 26.02 45.55 121.75 -160.72 -112.94 132.69 1.91 98.08 0.00 1.85 0.03 0.00 0.00 0.00 0.00 98.09 0.03 60 F E E 5.68 24.57 24.11 48.14 127.21 -171.51 -123.28 139.20 0.33 99.67 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.70 0.01 61 I E E 27.67 17.02 27.45 44.31 116.11 -145.93 -103.90 124.94 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.01 62 V E E 4.83 24.54 19.37 43.99 130.72 -176.63 -126.71 149.25 1.61 98.39 0.00 1.59 0.03 0.00 0.00 0.00 0.00 98.30 0.08 63 D E E 36.66 11.64 23.19 35.48 111.55 -106.83 -71.55 137.13 35.98 63.99 0.04 35.63 0.61 0.05 0.00 0.03 0.00 63.13 0.55 64 S C T 44.33 15.15 16.85 32.13 91.56 -130.14 -63.96 -20.78 98.33 0.89 0.77 0.76 5.25 92.61 0.04 0.64 0.00 0.59 0.10 65 R C T 160.89 2.43 21.80 24.29 92.86 60.65 -87.45 -3.89 98.98 0.37 0.65 0.86 4.69 93.52 0.03 0.60 0.00 0.25 0.05 66 A C C 10.26 21.59 9.91 31.21 116.87 116.34 -70.08 143.41 98.47 1.21 0.32 59.97 38.21 0.44 0.10 0.17 0.00 0.45 0.65 67 N C C 80.60 3.41 24.05 26.38 123.71 -128.58 -88.98 162.72 96.73 3.09 0.18 95.98 0.84 0.05 0.13 0.02 0.00 0.57 2.43 68 K H H 91.31 15.20 14.41 29.06 91.44 -104.11 -58.35 -38.74 0.87 0.00 99.13 0.10 0.09 0.51 99.20 0.10 0.00 0.00 0.00 69 T H H 86.96 2.25 21.89 23.29 91.72 53.12 -64.08 -40.46 0.39 0.00 99.61 0.03 0.02 0.27 99.58 0.09 0.00 0.00 0.00 70 E H H 68.62 9.17 20.46 30.27 91.88 49.02 -65.48 -40.88 0.07 0.00 99.93 0.01 0.00 0.05 99.89 0.05 0.00 0.00 0.00 71 I H H 2.38 26.37 15.39 42.50 91.21 49.63 -63.52 -43.56 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 72 K H H 75.55 13.90 21.74 34.76 91.46 51.16 -62.14 -42.41 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 73 K H H 110.36 2.59 26.16 27.60 91.64 49.74 -64.27 -42.10 0.07 0.00 99.93 0.00 0.00 0.06 99.93 0.00 0.00 0.00 0.00 74 A H H 9.23 15.81 20.62 37.38 91.54 50.10 -64.08 -42.96 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 75 M H H 3.25 25.88 17.06 43.34 91.62 49.53 -64.93 -42.45 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 76 R H H 108.27 9.72 20.09 30.02 91.83 51.38 -63.45 -40.74 0.07 0.00 99.93 0.00 0.00 0.06 99.91 0.03 0.00 0.00 0.00 77 K H H 126.49 3.28 22.08 25.16 92.71 48.60 -67.00 -39.12 0.26 0.00 99.74 0.01 0.00 0.24 99.68 0.07 0.00 0.00 0.00 78 L H H 37.55 16.54 17.75 33.90 96.92 40.09 -79.35 -37.67 1.62 0.00 98.38 0.03 0.05 1.56 98.27 0.10 0.00 0.00 0.00 79 Y H H 30.55 19.62 15.47 34.84 104.26 24.14 -113.27 3.46 18.94 0.08 80.98 1.20 2.47 14.65 81.21 0.36 0.04 0.02 0.06 80 Q C T 129.39 3.05 22.38 25.76 95.39 -123.66 54.83 44.53 99.46 0.17 0.38 25.50 12.22 61.84 0.18 0.12 0.00 0.11 0.04 81 V C C 13.75 21.57 12.02 33.58 128.97 136.54 -119.43 148.60 90.66 9.28 0.06 76.09 14.09 0.33 0.01 0.05 0.00 8.81 0.62 82 K C C 118.19 3.87 25.37 29.39 113.56 -132.42 -93.82 126.16 78.46 21.50 0.05 77.12 1.00 0.12 0.01 0.03 0.00 21.36 0.37 83 A E E 13.88 23.60 12.19 35.29 113.64 -138.30 -80.52 129.17 17.58 82.37 0.04 18.40 0.26 0.02 0.01 0.02 0.00 80.54 0.74 84 V E E 71.94 6.27 21.89 28.79 100.44 -172.20 -91.02 -34.55 14.29 85.68 0.03 7.98 6.11 0.29 0.00 0.03 0.00 85.48 0.10 85 K E E 92.18 5.51 24.37 30.62 139.23 -3.54 -153.46 151.62 3.16 96.83 0.01 2.26 0.58 0.06 0.00 0.01 0.00 97.06 0.03 86 V E E 26.11 22.92 13.64 35.76 124.00 -159.82 -125.48 129.46 2.73 97.26 0.01 2.55 0.10 0.01 0.00 0.00 0.00 97.31 0.03 87 N E E 58.97 8.04 24.16 32.54 127.57 -175.04 -127.29 143.41 2.32 97.68 0.00 1.98 0.14 0.01 0.00 0.00 0.00 97.85 0.02 88 T E E 39.09 17.76 16.14 33.44 123.61 -153.54 -114.64 136.07 1.55 98.44 0.00 1.40 0.07 0.00 0.00 0.00 0.00 98.51 0.02 89 L E E 47.30 10.75 19.26 31.25 124.25 -168.36 -120.17 137.08 0.77 99.23 0.00 0.67 0.04 0.00 0.00 0.00 0.00 99.26 0.02 90 I E E 77.33 9.39 15.66 26.44 114.95 -143.45 -101.49 123.07 1.53 98.47 0.00 1.46 0.06 0.00 0.00 0.00 0.00 98.08 0.39 91 R C C 71.45 9.98 10.79 22.33 122.41 -148.48 -85.95 162.29 95.23 4.75 0.02 95.56 0.30 0.04 0.00 0.01 0.00 3.86 0.23 92 P C T 116.34 1.84 11.42 14.49 90.85 -102.00 -59.65 -27.12 97.63 0.48 1.88 1.03 3.25 93.17 0.04 2.09 0.00 0.36 0.07 93 D C T 112.85 1.38 12.30 13.81 92.67 56.51 -86.16 0.26 98.12 0.08 1.80 0.56 2.56 94.90 0.04 1.87 0.00 0.04 0.02 94 G C S 40.99 4.79 13.17 19.64 98.02 -101.38 88.75 6.26 97.88 0.53 1.59 15.97 78.17 3.82 0.09 1.47 0.00 0.29 0.19 95 L C C 56.71 8.88 13.69 24.52 117.79 136.83 -79.92 143.67 91.70 8.27 0.03 90.99 1.44 0.08 0.01 0.02 0.00 6.61 0.85 96 K E E 62.96 12.98 16.62 30.47 118.20 -134.52 -97.72 135.74 1.35 98.65 0.00 1.30 0.04 0.00 0.00 0.00 0.00 98.42 0.24 97 K E E 57.55 13.85 21.02 34.81 130.49 -171.97 -127.14 148.14 0.57 99.43 0.00 0.50 0.02 0.00 0.00 0.00 0.00 99.47 0.00 98 A E E 7.70 20.75 19.29 40.29 127.54 -160.59 -124.62 142.56 0.24 99.76 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.78 0.00 99 Y E E 44.13 13.94 24.44 38.84 122.10 -159.96 -116.43 131.66 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 100 I E E 8.47 23.06 19.77 42.96 122.28 -166.38 -117.82 131.58 0.58 99.42 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.45 0.01 101 R E E 89.11 10.57 26.39 37.12 118.62 -158.08 -107.42 129.85 2.16 97.84 0.00 2.03 0.05 0.00 0.00 0.00 0.00 97.87 0.05 102 L E E 11.36 23.47 14.18 37.74 119.11 -145.30 -92.93 139.01 17.82 82.16 0.02 17.27 0.50 0.02 0.01 0.01 0.00 80.67 1.51 103 S C C 34.03 8.60 19.01 28.97 115.40 -110.12 -70.41 152.28 92.10 7.78 0.12 89.94 2.00 0.23 0.03 0.07 0.00 7.20 0.53 104 A C T 75.42 6.06 15.17 22.83 92.12 -109.93 -60.74 -28.65 93.66 0.66 5.68 2.49 8.47 83.00 0.99 4.36 0.00 0.40 0.29 105 A C T 84.67 2.03 17.77 19.74 93.24 59.62 -80.73 -8.56 93.48 0.44 6.08 4.35 7.11 82.14 1.06 4.87 0.00 0.28 0.19 106 H C C 45.75 18.23 10.72 27.94 113.17 95.18 -85.45 125.61 84.40 3.64 11.96 55.86 21.83 6.62 4.79 6.87 0.01 1.56 2.47 107 D C C 85.47 5.61 21.43 27.27 105.64 -148.61 -87.47 77.33 84.90 2.79 12.30 71.27 6.75 7.00 7.82 4.16 0.00 1.40 1.58 108 A C H 27.66 18.80 15.09 32.94 95.46 -135.57 -68.50 -24.77 53.01 2.22 44.77 24.79 12.31 16.97 31.22 12.49 0.08 1.16 0.97 109 L C H 61.35 12.99 17.48 30.28 95.08 61.93 -72.05 -25.74 49.02 2.15 48.83 22.08 12.69 15.67 36.62 10.83 0.09 1.13 0.88 110 D C H 73.31 6.21 21.07 27.47 96.89 58.49 -77.49 -3.27 49.41 1.73 48.87 36.68 6.09 7.41 39.78 8.44 0.01 0.94 0.65 111 T H H 21.30 17.68 15.94 33.47 93.74 85.67 -66.33 -39.98 14.82 0.48 84.69 7.57 3.18 5.67 78.17 4.91 0.06 0.28 0.17 112 A H H 28.11 15.45 15.26 30.68 92.48 53.67 -63.93 -39.70 10.40 0.31 89.29 3.44 1.73 5.79 82.27 6.40 0.06 0.22 0.10 113 N H H 108.50 2.67 18.40 21.33 92.90 50.27 -69.06 -35.33 12.68 0.37 86.96 3.73 1.96 7.41 78.34 8.11 0.07 0.26 0.12 114 K H H 109.11 6.85 16.36 24.09 93.77 54.23 -71.67 -29.89 19.81 0.69 79.49 4.86 3.28 12.64 71.68 6.66 0.18 0.43 0.28 115 I H H 49.03 15.88 11.92 27.23 98.26 50.48 -85.44 -9.22 40.54 1.80 57.66 7.29 7.04 27.34 51.80 4.41 0.34 0.93 0.84 116 G C T 50.49 4.01 15.97 20.97 100.66 -113.30 75.79 16.11 88.72 1.20 10.07 40.80 2.69 44.72 9.06 1.45 0.00 0.72 0.55 117 L C C 75.74 11.71 12.46 24.46 109.19 140.61 -88.73 105.84 99.71 0.24 0.04 99.59 0.14 0.07 0.02 0.00 0.00 0.15 0.03