# 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 89.69 10.67 15.46 26.46 116.27 -154.61 -96.56 134.06 99.81 0.19 0.00 99.82 0.05 0.01 0.00 0.00 0.00 0.12 0.00 1 Q C C 102.51 7.35 17.18 25.50 119.16 -153.96 -103.25 133.98 59.71 39.98 0.31 56.79 1.26 0.54 0.10 0.16 0.00 40.04 1.11 2 A E E 23.60 17.79 13.91 31.42 128.64 -166.05 -123.81 146.74 32.02 67.72 0.26 27.89 2.83 0.49 0.06 0.15 0.00 68.06 0.51 3 K E E 91.65 9.73 22.68 32.81 129.48 -166.14 -130.20 143.54 10.72 89.17 0.11 9.59 0.94 0.13 0.04 0.05 0.00 88.85 0.40 4 A E E 13.80 21.81 16.91 38.16 128.71 -165.72 -126.41 144.20 6.72 93.21 0.07 6.12 0.47 0.07 0.02 0.02 0.00 93.11 0.18 5 V E E 51.77 10.96 24.21 35.50 127.31 -165.61 -127.86 137.74 5.43 94.51 0.05 5.02 0.35 0.05 0.02 0.02 0.00 94.28 0.26 6 A E E 17.90 20.52 15.58 35.62 118.79 -149.42 -104.33 133.12 11.69 88.12 0.20 11.16 0.61 0.12 0.06 0.09 0.00 87.66 0.31 7 R E E 123.69 6.93 21.70 29.20 101.77 -169.52 -95.01 -31.55 25.41 74.34 0.25 11.02 13.08 1.48 0.03 0.20 0.00 73.98 0.21 8 T E E 68.22 8.35 22.41 30.86 122.43 8.93 -142.36 120.93 16.05 83.73 0.21 11.55 3.83 0.76 0.03 0.16 0.00 83.38 0.28 9 V E E 16.81 22.61 14.99 37.24 122.33 -174.67 -121.34 129.53 15.36 84.49 0.15 14.57 0.93 0.13 0.05 0.08 0.00 83.16 1.06 10 R E E 125.73 6.57 25.07 32.11 111.95 -151.75 -96.44 120.52 45.03 54.88 0.08 35.85 8.40 0.29 0.03 0.06 0.00 54.59 0.78 11 I C C 13.98 22.93 14.01 36.75 130.86 163.39 -129.43 148.62 76.43 23.49 0.09 67.86 9.80 0.15 0.06 0.05 0.00 18.83 3.25 12 A C C 38.42 6.78 22.29 29.81 115.43 -105.83 -69.59 148.73 99.69 0.26 0.05 99.53 0.26 0.02 0.03 0.00 0.00 0.12 0.03 13 P H H 53.31 15.04 15.54 30.58 91.69 -116.33 -57.79 -38.10 3.37 0.01 96.62 0.66 0.35 2.09 95.74 1.15 0.00 0.00 0.00 14 R H H 147.33 2.76 22.55 25.38 91.69 54.30 -63.70 -39.42 1.56 0.01 98.43 0.20 0.13 1.08 97.39 1.20 0.00 0.00 0.00 15 K H H 67.06 12.69 21.21 33.58 92.14 48.31 -66.94 -38.66 0.97 0.01 99.03 0.23 0.08 0.54 97.88 1.25 0.00 0.01 0.00 16 A H H 1.87 26.35 16.26 43.20 91.07 52.99 -63.08 -42.52 0.41 0.00 99.59 0.10 0.03 0.18 99.54 0.15 0.00 0.00 0.00 17 R H H 102.17 11.00 23.68 34.37 91.26 52.30 -62.28 -41.22 0.17 0.00 99.83 0.03 0.01 0.08 99.84 0.04 0.00 0.00 0.00 18 L H H 62.55 6.97 25.35 32.86 91.65 50.80 -63.92 -41.95 0.11 0.00 99.89 0.01 0.00 0.06 99.88 0.04 0.00 0.00 0.00 19 V H H 3.56 24.97 21.27 46.06 91.78 49.08 -64.32 -43.87 0.12 0.00 99.88 0.01 0.00 0.08 99.84 0.06 0.00 0.00 0.00 20 M H H 8.24 24.47 20.25 44.27 91.47 50.47 -63.16 -41.49 0.19 0.00 99.81 0.01 0.01 0.14 99.67 0.17 0.00 0.00 0.00 21 D H H 85.07 5.18 25.48 31.32 91.18 53.45 -64.68 -35.70 1.26 0.00 98.74 0.03 0.03 1.24 97.64 1.06 0.00 0.00 0.00 22 L H H 51.82 12.43 22.45 34.97 91.53 53.38 -69.55 -27.30 4.98 0.00 95.02 0.05 0.08 5.47 93.02 1.38 0.00 0.00 0.00 23 I H H 2.73 26.16 15.40 42.58 95.73 48.75 -89.56 -14.70 26.53 0.04 73.43 0.85 1.20 24.66 71.35 1.85 0.03 0.01 0.04 24 R C T 101.94 13.66 17.42 31.25 112.17 115.35 -62.40 131.37 97.73 0.07 2.20 0.26 0.59 97.23 1.70 0.14 0.00 0.02 0.05 25 G C T 53.04 2.86 21.44 24.81 94.03 18.22 84.15 -2.71 99.69 0.01 0.30 0.14 0.79 98.82 0.21 0.03 0.00 0.00 0.00 26 K C C 63.25 13.68 15.63 29.76 124.01 125.47 -85.99 154.29 99.65 0.34 0.02 58.42 41.20 0.11 0.01 0.01 0.00 0.12 0.13 27 Q E B 81.57 6.16 24.33 30.75 116.99 -105.54 -72.68 151.97 7.47 92.50 0.02 5.42 0.10 0.00 0.02 0.00 0.00 3.67 90.78 28 V H H 11.71 24.04 14.74 38.92 91.42 -113.75 -57.55 -39.85 0.57 0.00 99.42 0.05 0.03 0.44 99.08 0.40 0.00 0.00 0.00 29 G H H 33.07 7.65 22.83 30.96 91.53 53.19 -62.44 -41.47 0.21 0.00 99.79 0.01 0.01 0.17 99.45 0.36 0.00 0.00 0.00 30 E H H 97.55 4.06 25.42 29.29 91.59 48.41 -66.00 -39.97 0.08 0.00 99.92 0.01 0.00 0.05 99.66 0.28 0.00 0.00 0.00 31 A H H 2.86 23.97 16.99 41.28 91.49 51.34 -63.56 -43.05 0.12 0.00 99.88 0.01 0.01 0.07 99.84 0.07 0.00 0.00 0.00 32 V H H 26.70 18.38 20.36 38.01 91.42 50.74 -62.77 -42.25 0.16 0.00 99.84 0.01 0.00 0.10 99.81 0.08 0.00 0.00 0.00 33 S H H 62.42 2.48 25.39 26.48 91.53 51.22 -63.78 -41.71 0.44 0.00 99.56 0.02 0.01 0.37 99.19 0.42 0.00 0.00 0.00 34 I H H 44.38 11.89 20.84 33.29 91.81 49.80 -64.88 -41.49 0.98 0.00 99.01 0.03 0.03 0.84 97.49 1.60 0.00 0.00 0.00 35 L H H 4.48 25.49 13.78 39.48 91.31 52.60 -66.73 -34.50 3.25 0.00 96.75 0.18 0.16 2.71 91.46 5.47 0.00 0.00 0.00 36 N H H 95.04 7.66 19.17 27.87 90.84 63.38 -66.79 -22.20 35.56 0.03 64.41 0.74 0.83 34.80 59.73 3.85 0.01 0.01 0.03 37 L C T 114.14 2.97 19.20 22.34 94.68 53.44 -89.88 -5.47 62.59 0.06 37.35 1.85 2.93 57.53 34.26 3.35 0.00 0.02 0.06 38 T C S 29.52 17.27 9.46 26.28 117.81 96.87 -86.92 133.61 99.55 0.20 0.26 28.87 70.17 0.52 0.19 0.05 0.00 0.04 0.16 39 P C C 107.09 2.71 18.46 21.59 96.21 -131.78 -75.31 6.64 99.32 0.35 0.33 77.24 20.00 2.00 0.12 0.17 0.00 0.11 0.34 40 R C S 99.82 10.65 14.18 25.69 121.55 106.49 -91.47 147.05 88.64 2.59 8.78 34.82 47.36 6.24 4.98 2.90 0.01 0.57 3.11 41 A C T 67.23 5.91 20.82 27.46 94.06 -118.39 -63.69 -30.11 82.24 0.37 17.39 3.04 14.45 65.56 7.10 9.25 0.02 0.16 0.42 42 A C T 10.24 21.24 16.40 37.27 93.97 54.25 -79.12 -14.20 69.55 0.21 30.24 6.20 5.95 56.55 20.61 10.37 0.01 0.08 0.22 43 S H H 12.42 19.92 17.14 37.21 92.02 90.26 -59.41 -41.25 3.82 0.01 96.17 1.76 0.51 1.22 95.50 1.01 0.00 0.00 0.00 44 P H H 67.24 5.38 25.28 31.00 91.24 53.24 -63.88 -38.31 0.98 0.00 99.02 0.24 0.07 0.49 98.74 0.47 0.00 0.00 0.00 45 I H H 35.51 14.04 23.69 37.62 91.94 49.87 -65.23 -41.99 0.19 0.00 99.81 0.03 0.01 0.10 99.65 0.21 0.00 0.00 0.00 46 I H H 1.44 27.43 20.60 48.47 91.25 49.79 -63.93 -43.21 0.05 0.00 99.95 0.01 0.00 0.02 99.95 0.03 0.00 0.00 0.00 47 E H H 51.74 16.37 23.70 38.87 91.26 51.52 -62.40 -42.26 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 48 K H H 108.28 3.86 27.86 31.91 91.54 50.03 -64.52 -41.44 0.03 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 49 V H H 10.47 19.64 22.83 42.22 91.50 49.50 -63.90 -43.74 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 50 L H H 2.07 26.94 21.11 48.22 91.19 48.94 -63.70 -42.92 0.09 0.00 99.91 0.00 0.00 0.06 99.93 0.01 0.00 0.00 0.00 51 K H H 101.63 8.08 26.40 35.06 91.46 50.73 -63.61 -41.62 0.20 0.00 99.80 0.01 0.01 0.13 99.83 0.01 0.00 0.00 0.00 52 S H H 42.70 6.31 26.51 33.58 91.66 49.83 -64.49 -41.99 0.46 0.00 99.54 0.04 0.02 0.32 99.58 0.03 0.00 0.00 0.00 53 A H H 3.89 22.46 20.92 43.38 91.54 49.90 -63.96 -42.81 0.45 0.00 99.55 0.07 0.03 0.28 99.56 0.05 0.00 0.00 0.00 54 I H H 22.64 18.98 22.12 40.39 91.46 49.79 -63.02 -42.88 0.27 0.00 99.73 0.04 0.02 0.15 99.73 0.06 0.00 0.00 0.00 55 A H H 51.24 3.36 25.44 28.28 91.20 50.23 -62.67 -42.49 0.45 0.00 99.55 0.05 0.02 0.28 99.56 0.08 0.00 0.00 0.00 56 N H H 51.23 8.06 22.37 31.25 92.03 48.62 -65.57 -40.13 1.26 0.00 98.74 0.11 0.08 0.89 98.72 0.20 0.00 0.00 0.00 57 A H H 5.16 20.52 13.85 35.04 91.56 51.65 -64.28 -41.62 2.17 0.01 97.82 0.26 0.19 1.50 97.56 0.49 0.00 0.00 0.00 58 E H H 93.62 7.92 17.06 25.80 92.41 50.30 -65.43 -39.93 6.37 0.03 93.60 0.69 0.55 4.93 93.00 0.78 0.02 0.01 0.02 59 H H H 144.55 1.21 17.89 17.78 94.81 44.11 -72.06 -38.33 16.11 0.03 83.86 0.66 1.05 14.27 83.03 0.94 0.02 0.01 0.02 60 N H H 92.59 5.09 14.90 21.04 99.65 32.94 -93.04 -26.08 41.00 0.07 58.92 1.79 3.46 34.18 59.43 1.06 0.02 0.02 0.05 61 Y C S 88.78 10.58 11.32 22.78 105.81 25.63 -114.91 7.56 81.29 0.44 18.27 16.59 32.72 30.87 17.48 1.78 0.01 0.13 0.43 62 E C C 166.26 0.77 17.75 16.84 95.13 -121.91 54.08 38.74 99.30 0.10 0.60 58.66 18.36 22.31 0.19 0.37 0.00 0.05 0.08 63 M C C 43.76 16.27 8.88 24.69 123.06 141.79 -102.12 147.35 99.44 0.34 0.22 83.71 15.00 0.64 0.08 0.12 0.00 0.10 0.35 64 D C C 86.84 2.99 22.41 24.59 107.62 -117.86 -84.61 113.98 99.73 0.17 0.11 99.23 0.46 0.13 0.02 0.04 0.00 0.06 0.06 65 A H G 26.18 20.85 11.39 31.54 92.74 -158.57 -64.15 -25.97 12.08 0.19 87.72 1.30 1.20 7.48 0.44 89.45 0.00 0.13 0.01 66 N H G 109.24 4.21 20.27 25.51 90.78 66.11 -70.54 -15.07 12.63 0.18 87.18 0.50 1.02 9.16 0.35 88.83 0.00 0.12 0.01 67 N H G 77.80 7.14 20.44 28.63 97.61 54.52 -97.50 4.04 12.90 0.54 86.56 1.70 1.79 7.27 0.42 88.37 0.00 0.43 0.02 68 L E E 7.84 25.03 12.73 38.00 118.02 107.22 -88.42 134.93 23.84 76.10 0.06 21.26 2.32 0.09 0.01 0.04 0.00 75.86 0.41 69 V E E 44.44 9.63 26.92 37.29 124.37 -166.77 -122.23 135.58 1.06 98.93 0.00 0.95 0.05 0.00 0.00 0.00 0.00 98.94 0.06 70 I E E 17.80 23.47 16.31 39.96 110.18 -127.90 -82.55 120.69 0.30 99.70 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.71 0.01 71 S E E 48.00 7.67 22.77 31.24 100.42 175.78 -93.65 -33.94 1.54 98.45 0.00 0.92 0.38 0.01 0.00 0.00 0.00 98.68 0.01 72 Q E E 77.12 6.22 25.03 32.26 140.07 1.12 -155.23 149.23 0.82 99.17 0.00 0.52 0.14 0.01 0.00 0.00 0.00 99.34 0.00 73 A E E 13.59 24.37 14.40 38.30 129.27 -170.05 -134.04 138.26 0.55 99.45 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.51 0.00 74 F E E 75.80 7.97 26.22 34.82 129.31 -172.65 -133.03 141.53 0.26 99.74 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 75 V E E 30.55 21.31 15.20 35.82 122.69 -161.67 -117.52 132.68 1.97 98.02 0.00 1.80 0.06 0.00 0.00 0.00 0.00 98.10 0.04 76 D E E 59.36 8.80 20.65 29.99 120.09 -167.42 -114.85 137.12 16.81 83.17 0.02 13.85 2.28 0.13 0.00 0.02 0.00 83.37 0.36 77 E E E 108.87 9.08 17.33 27.08 114.75 -128.32 -90.29 132.25 40.59 59.32 0.09 34.43 5.11 0.37 0.02 0.09 0.00 58.47 1.51 78 G C C 21.35 13.13 12.24 25.79 127.46 -145.70 -93.68 173.70 68.23 31.65 0.13 54.92 11.60 0.76 0.02 0.13 0.00 31.60 0.96 79 P C C 85.64 4.32 16.87 21.96 113.45 -71.63 -69.43 149.07 68.68 31.04 0.27 44.66 21.55 2.00 0.04 0.27 0.00 30.72 0.75 80 T E E 78.03 8.38 11.95 21.54 119.21 -131.29 -100.91 137.54 37.67 61.84 0.50 30.63 6.36 0.99 0.15 0.38 0.00 59.46 2.03 81 L E E 88.10 7.01 11.25 20.06 119.20 -148.65 -104.77 135.64 24.51 75.18 0.31 21.75 2.33 0.38 0.12 0.18 0.00 73.79 1.45 82 K E E 131.20 4.43 12.26 18.80 118.26 -146.41 -102.58 133.37 18.50 81.34 0.16 16.67 1.37 0.22 0.05 0.09 0.00 80.90 0.70 83 R E E 134.65 5.02 11.42 18.37 120.65 -159.63 -108.88 140.12 18.47 81.40 0.13 16.88 1.22 0.18 0.05 0.07 0.00 80.87 0.73 84 F E E 120.72 5.74 9.14 16.88 117.82 -136.91 -98.55 136.40 22.50 77.34 0.16 20.98 1.14 0.17 0.07 0.09 0.00 75.00 2.55 85 R E E 146.05 3.00 11.15 15.95 120.69 -159.92 -112.58 136.64 39.68 60.11 0.21 36.74 1.93 0.24 0.07 0.12 0.00 59.89 1.01 86 P E E 93.55 3.63 8.64 14.28 113.28 -112.19 -71.92 141.63 41.40 53.76 4.84 34.90 4.32 2.39 2.09 2.89 0.00 50.01 3.40 87 R C C 146.20 3.07 7.80 12.75 116.42 -152.07 -98.94 153.97 58.51 12.36 29.13 42.00 8.48 8.61 5.29 23.42 0.01 10.63 1.56 88 A H G 94.53 0.97 7.63 9.30 110.38 -75.82 -76.35 135.88 44.23 9.83 45.94 9.84 11.61 25.23 3.35 40.62 0.10 7.38 1.87 89 M C T 165.05 0.50 8.63 8.69 99.35 -0.36 39.87 30.20 57.67 1.27 41.06 4.88 10.58 40.56 2.27 40.38 0.01 0.75 0.57 90 G C T 64.09 0.81 8.95 10.06 98.78 -66.33 82.55 1.73 83.48 1.90 14.62 9.45 32.85 41.29 1.28 13.22 0.01 1.11 0.80 91 R C C 151.21 1.89 8.87 12.41 120.45 109.77 -104.04 146.23 71.00 24.86 4.14 40.99 20.85 10.66 0.96 3.27 0.03 18.14 5.09 92 A C C 71.72 4.82 8.51 15.35 117.15 -128.54 -89.91 141.13 55.08 42.71 2.20 42.17 9.64 3.73 0.68 1.74 0.01 37.65 4.39 93 S E E 57.65 5.22 11.57 18.68 126.78 -170.41 -124.95 151.99 47.20 51.99 0.81 36.64 8.59 2.08 0.19 0.63 0.00 50.83 1.05 94 Q E E 116.10 4.73 12.52 19.16 115.79 -115.92 -84.84 136.56 31.33 68.43 0.24 27.40 2.96 0.46 0.06 0.16 0.00 68.20 0.76 95 I E E 73.27 9.42 11.61 22.45 121.54 -162.90 -113.69 136.62 16.26 83.65 0.09 15.37 0.81 0.11 0.04 0.05 0.00 81.91 1.72 96 N E E 87.43 6.94 14.02 22.50 115.48 -144.74 -98.12 126.18 19.81 80.10 0.08 18.19 1.14 0.15 0.03 0.05 0.00 78.00 2.46 97 K C E 98.58 9.71 14.46 25.08 121.87 -172.82 -115.16 136.16 50.61 49.24 0.15 41.30 7.86 0.49 0.04 0.12 0.00 49.19 1.00 98 R C C 117.78 8.93 17.04 26.53 116.70 -139.70 -93.06 136.59 60.47 39.40 0.14 51.24 7.63 0.52 0.03 0.12 0.00 39.48 0.98 99 T E E 46.15 12.95 17.85 31.05 125.61 -158.84 -113.82 146.11 47.60 52.29 0.11 44.39 2.16 0.22 0.02 0.08 0.00 51.48 1.66 100 S E E 14.45 18.70 16.67 35.45 125.76 -151.12 -116.94 145.91 22.20 77.76 0.04 20.62 1.18 0.09 0.01 0.03 0.00 77.17 0.91 101 H E E 63.76 11.01 23.20 34.63 121.87 -154.49 -115.14 134.10 9.34 90.65 0.01 7.92 0.97 0.04 0.00 0.01 0.00 90.89 0.17 102 I E E 11.84 22.77 17.96 40.80 122.19 -163.90 -115.98 131.73 2.04 97.96 0.00 1.92 0.06 0.00 0.00 0.00 0.00 97.99 0.03 103 T E E 30.35 11.19 25.56 37.65 121.12 -164.37 -113.95 131.10 0.52 99.48 0.00 0.48 0.02 0.00 0.00 0.00 0.00 99.49 0.01 104 I E E 8.55 23.67 19.28 43.16 119.96 -163.45 -112.71 128.51 0.22 99.78 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 105 V E E 29.68 11.14 26.10 38.36 120.14 -166.03 -115.13 129.33 0.26 99.74 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.75 0.00 106 V E E 11.24 22.30 18.41 40.88 120.26 -162.17 -110.44 131.46 1.19 98.81 0.00 1.09 0.03 0.00 0.00 0.00 0.00 98.86 0.02 107 S E E 28.71 10.42 22.10 33.32 133.72 176.76 -133.81 158.81 6.97 92.98 0.04 6.17 0.52 0.05 0.01 0.02 0.00 93.04 0.19 108 E E E 81.25 12.58 16.23 28.98 116.69 -119.60 -95.17 135.77 24.66 75.00 0.34 21.69 2.55 0.47 0.12 0.21 0.00 74.12 0.85 109 K C C 112.50 7.39 13.91 22.62 114.75 -127.07 -86.40 135.52 68.26 30.17 1.57 55.41 8.49 3.03 0.40 1.14 0.00 30.18 1.36 110 K C C 131.80 5.12 10.92 18.03 114.17 -127.66 -87.41 133.95 81.52 16.80 1.68 67.29 8.84 4.54 0.45 1.31 0.00 15.62 1.96 111 E C C 143.51 2.61 10.31 14.78 112.21 -140.24 -91.57 129.07 94.45 4.83 0.72 89.91 1.41 3.43 0.21 0.36 0.00 4.01 0.67 112 G C C 57.09 2.00 12.72 15.56 111.34 11.44 86.33 -5.48 99.93 0.06 0.01 99.68 0.15 0.12 0.00 0.00 0.00 0.04 0.00