# 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 G C C 35.88 6.23 14.69 22.11 128.28 -111.43 103.86 168.06 99.96 0.03 0.00 99.70 0.24 0.04 0.00 0.00 0.00 0.02 0.01 1 P C C 105.77 3.17 13.24 17.64 104.25 -57.82 -73.38 98.91 94.81 1.19 4.00 82.31 2.20 10.73 0.80 2.77 0.00 0.81 0.38 2 M C C 125.12 4.79 11.05 17.51 109.27 56.16 -87.25 110.06 85.00 9.32 5.68 48.62 16.24 20.22 1.01 4.98 0.00 7.10 1.83 3 G C C 38.49 7.12 14.71 22.86 112.90 -126.87 97.67 167.29 69.55 23.55 6.90 43.56 15.67 11.18 1.20 5.84 0.01 20.48 2.05 4 A C C 57.67 9.92 16.36 26.69 120.00 -85.76 -98.53 140.72 51.25 45.57 3.18 40.47 7.91 2.60 1.34 1.99 0.01 39.86 5.82 5 L E E 27.83 17.66 14.10 31.95 121.72 -150.72 -105.83 139.67 45.82 53.60 0.58 41.10 3.56 0.34 0.42 0.26 0.00 43.77 10.55 6 T C C 57.44 5.73 23.99 29.67 122.63 -131.45 -85.47 162.47 66.42 33.17 0.41 66.83 1.15 0.10 0.36 0.08 0.00 26.41 5.06 7 K H H 63.84 18.98 15.63 33.64 91.39 -108.32 -58.50 -38.96 1.12 0.00 98.88 0.21 0.14 0.61 98.81 0.23 0.00 0.00 0.00 8 A H H 51.13 7.66 20.91 29.21 91.44 53.85 -63.17 -40.16 0.41 0.00 99.58 0.05 0.03 0.25 99.46 0.21 0.00 0.00 0.00 9 E H H 90.03 4.54 24.03 28.42 91.67 49.46 -65.41 -40.74 0.16 0.00 99.84 0.03 0.01 0.09 99.68 0.19 0.00 0.00 0.00 10 I H H 9.15 20.27 19.04 39.60 91.80 49.95 -63.82 -43.41 0.11 0.00 99.89 0.01 0.00 0.06 99.88 0.05 0.00 0.00 0.00 11 A H H 7.99 19.64 18.84 38.77 91.11 50.97 -62.72 -42.66 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 12 E H H 97.72 4.01 24.37 28.16 91.46 50.58 -63.70 -42.01 0.09 0.00 99.91 0.00 0.00 0.06 99.93 0.01 0.00 0.00 0.00 13 R H H 95.41 6.39 23.23 29.90 91.78 49.14 -64.78 -41.57 0.23 0.00 99.77 0.01 0.01 0.15 99.81 0.02 0.00 0.00 0.00 14 L H H 8.69 20.38 16.37 37.21 91.65 50.07 -64.05 -42.79 0.34 0.00 99.65 0.03 0.02 0.21 99.70 0.03 0.00 0.00 0.00 15 Y H H 59.09 12.88 16.06 29.65 91.97 49.98 -63.65 -41.91 0.44 0.00 99.56 0.06 0.03 0.26 99.58 0.08 0.00 0.00 0.00 16 E H H 140.85 1.18 19.60 19.23 92.38 48.60 -65.34 -40.60 0.93 0.00 99.07 0.08 0.04 0.68 98.98 0.22 0.00 0.00 0.00 17 E H H 109.67 5.22 16.38 22.60 93.06 46.27 -69.69 -35.55 3.12 0.00 96.87 0.13 0.17 2.62 96.75 0.32 0.00 0.00 0.00 18 L H H 49.46 13.30 11.92 25.62 97.19 38.42 -93.53 -9.87 14.55 0.04 85.42 1.03 2.02 10.85 85.63 0.42 0.01 0.01 0.03 19 G C T 63.52 0.78 18.57 17.23 96.28 -118.52 72.57 21.44 99.81 0.03 0.16 29.20 6.36 64.28 0.06 0.06 0.00 0.02 0.01 20 L C C 48.28 13.28 8.97 22.53 128.04 131.07 -109.49 158.32 99.28 0.63 0.09 77.08 21.96 0.18 0.06 0.02 0.00 0.17 0.52 21 N C C 95.61 1.80 20.57 20.43 118.42 -101.96 -74.33 158.63 99.70 0.24 0.05 99.46 0.28 0.03 0.03 0.00 0.00 0.06 0.13 22 K H H 110.96 11.24 12.46 24.17 91.77 -108.66 -58.15 -38.75 1.93 0.00 98.07 0.21 0.26 1.24 97.88 0.40 0.00 0.00 0.00 23 R H H 156.91 1.50 19.45 19.89 92.00 52.33 -64.41 -40.89 1.32 0.00 98.68 0.11 0.10 0.99 98.22 0.57 0.00 0.00 0.00 24 E H H 83.48 5.03 19.88 25.47 92.05 48.28 -65.87 -40.50 0.58 0.00 99.42 0.10 0.04 0.34 99.02 0.50 0.00 0.00 0.00 25 A H H 3.69 21.98 13.05 35.60 91.17 51.32 -62.84 -43.24 0.20 0.00 99.80 0.03 0.01 0.10 99.77 0.08 0.00 0.00 0.00 26 K H H 85.73 10.97 20.84 31.74 91.33 51.30 -62.44 -41.66 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 27 E H H 104.55 2.18 24.90 25.34 91.59 49.98 -64.06 -42.12 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 28 L H H 29.82 13.76 20.98 35.21 91.63 49.67 -64.26 -43.22 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 29 V H H 5.06 24.08 17.92 41.98 91.51 49.46 -63.76 -42.80 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 30 E H H 90.32 7.06 22.78 30.24 91.35 51.39 -63.17 -41.22 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 31 L H H 75.06 4.08 23.43 27.21 91.62 50.52 -64.06 -42.22 0.13 0.00 99.87 0.00 0.00 0.10 99.87 0.02 0.00 0.00 0.00 32 F H H 21.77 18.75 19.90 38.50 91.56 49.40 -64.27 -43.30 0.14 0.00 99.86 0.01 0.00 0.10 99.86 0.03 0.00 0.00 0.00 33 F H H 31.67 18.78 19.46 37.68 91.60 50.44 -63.19 -41.94 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 34 E H H 102.35 3.08 23.99 26.40 91.48 50.98 -64.02 -41.57 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 35 E H H 71.50 7.74 22.35 30.53 91.68 50.01 -64.70 -41.80 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 36 I H H 6.35 23.63 17.11 40.83 91.63 49.76 -64.30 -42.78 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 37 R H H 94.96 11.64 21.15 32.49 91.38 51.50 -62.13 -42.02 0.20 0.00 99.80 0.02 0.01 0.13 99.79 0.06 0.00 0.00 0.00 38 Q H H 94.79 2.17 23.53 24.00 91.80 49.79 -64.05 -41.48 0.67 0.00 99.33 0.04 0.03 0.53 99.26 0.14 0.00 0.00 0.00 39 A H H 13.93 11.63 16.79 30.51 91.74 50.39 -64.34 -41.36 1.66 0.00 98.33 0.21 0.14 1.17 98.00 0.47 0.00 0.00 0.00 40 L H H 25.71 18.19 13.48 31.44 92.49 50.73 -65.57 -39.93 3.41 0.01 96.58 0.42 0.23 2.56 95.46 1.31 0.01 0.01 0.01 41 E H H 124.76 3.77 17.50 22.33 91.36 54.56 -65.87 -30.36 12.03 0.04 87.93 0.68 0.67 10.50 86.96 1.13 0.02 0.01 0.02 42 H C T 127.52 2.26 16.45 18.71 95.14 47.98 -89.66 2.59 85.54 0.05 14.42 0.73 2.71 81.03 14.56 0.90 0.00 0.02 0.05 43 N C T 106.42 6.17 14.73 22.49 95.25 -110.58 65.47 29.93 99.40 0.02 0.59 2.77 2.78 93.99 0.34 0.10 0.00 0.01 0.01 44 E C C 87.31 7.71 15.74 24.83 118.38 147.81 -93.84 145.82 98.78 1.11 0.10 89.31 8.95 0.65 0.02 0.07 0.00 0.83 0.17 45 Q C C 89.46 9.64 19.00 29.17 117.92 -116.38 -87.17 139.49 74.50 25.43 0.07 71.33 1.59 0.17 0.01 0.04 0.00 26.51 0.34 46 V E E 12.90 21.37 14.83 36.38 123.04 -163.63 -118.29 135.49 8.02 91.95 0.02 7.82 0.24 0.02 0.01 0.01 0.00 91.53 0.38 47 K E E 116.28 5.61 23.22 29.69 114.64 -143.75 -98.84 124.64 1.94 98.05 0.01 1.91 0.05 0.01 0.00 0.00 0.00 97.72 0.31 48 L E E 16.73 21.97 12.22 33.84 114.58 -165.43 -109.34 119.18 12.28 87.67 0.05 11.50 0.57 0.08 0.01 0.03 0.00 87.09 0.73 49 S C T 69.56 5.67 18.25 24.76 109.96 -116.09 -63.82 133.58 90.90 7.11 1.98 1.27 5.21 85.46 0.05 2.03 0.00 5.47 0.51 50 G C T 54.22 3.53 18.67 22.69 96.95 10.07 82.56 -3.88 98.28 0.13 1.59 0.42 4.32 93.26 0.03 1.86 0.00 0.08 0.03 51 F C T 63.18 14.79 15.17 29.58 108.11 51.00 -109.28 -23.34 97.29 1.71 0.99 0.98 9.32 87.02 0.03 1.21 0.00 1.28 0.16 52 G E E 15.39 9.55 20.15 30.86 138.36 -86.87 131.24 -170.99 8.77 91.21 0.01 6.79 1.36 0.14 0.00 0.01 0.00 91.44 0.26 53 N E E 62.92 9.05 22.15 31.83 126.96 -53.83 -116.81 145.82 1.51 98.48 0.00 1.29 0.12 0.01 0.00 0.00 0.00 98.52 0.07 54 F E E 22.73 22.40 14.48 36.47 127.56 -161.90 -122.50 142.72 1.54 98.46 0.00 1.42 0.05 0.00 0.00 0.00 0.00 98.49 0.04 55 D E E 58.51 7.93 24.41 32.70 126.56 -169.83 -126.01 140.49 4.46 95.53 0.00 4.27 0.08 0.00 0.00 0.00 0.00 95.59 0.05 56 L E E 44.14 19.26 14.55 33.08 117.35 -132.84 -92.16 132.47 6.80 93.19 0.00 6.47 0.18 0.01 0.00 0.00 0.00 93.20 0.12 57 R E E 101.47 7.20 19.50 27.68 128.53 -174.97 -127.95 145.40 3.13 96.86 0.01 2.88 0.14 0.01 0.00 0.00 0.00 96.72 0.25 58 D E E 75.48 9.65 14.06 24.70 111.54 -116.04 -81.52 124.56 7.12 92.83 0.05 6.78 0.29 0.04 0.01 0.03 0.00 91.95 0.90 59 K C E 104.19 7.99 12.89 22.11 102.11 -174.03 -87.66 -17.40 50.56 47.56 1.88 30.49 15.04 5.28 0.11 2.06 0.00 46.39 0.62 60 R C E 161.54 2.14 16.18 18.58 116.33 -18.38 -94.81 141.32 56.03 42.83 1.14 21.45 28.12 6.21 0.06 1.20 0.00 42.30 0.67 61 Q C C 100.01 9.38 10.69 21.00 113.96 -109.89 -81.32 134.00 60.65 38.46 0.89 52.14 6.69 1.36 0.09 0.91 0.00 38.06 0.76 62 R E E 121.05 4.73 13.92 20.50 127.43 -176.32 -130.78 145.69 49.58 50.35 0.07 45.30 3.73 0.26 0.01 0.06 0.00 48.63 2.01 63 P E E 86.77 4.92 14.12 20.48 114.07 -102.46 -67.01 146.51 41.38 58.56 0.06 38.12 2.34 0.31 0.01 0.05 0.00 57.72 1.44 64 G E E 26.41 8.73 11.82 21.99 135.79 163.88 -140.56 174.09 25.19 74.75 0.06 20.27 4.91 0.33 0.01 0.05 0.00 73.20 1.23 65 R E E 148.44 3.18 13.78 18.44 119.73 -94.09 -105.13 138.78 7.91 92.05 0.04 6.97 0.70 0.03 0.04 0.01 0.00 63.61 28.63 66 N C C 53.91 8.69 8.50 19.17 109.09 -117.04 -76.39 122.64 91.60 8.38 0.02 91.90 0.48 0.07 0.00 0.01 0.00 6.91 0.63 67 P C T 107.44 2.14 9.92 13.78 93.10 -147.75 -65.11 -24.32 99.61 0.09 0.30 0.64 4.81 94.16 0.01 0.30 0.00 0.06 0.02 68 K C T 169.99 0.54 10.68 10.42 97.96 45.75 -77.88 -37.59 99.59 0.07 0.34 0.20 3.78 95.65 0.01 0.30 0.00 0.04 0.02 69 T C T 91.17 1.56 10.28 12.28 102.51 21.32 -105.62 -14.29 99.63 0.10 0.27 0.70 5.09 93.85 0.01 0.27 0.00 0.05 0.03 70 G C C 51.62 2.77 9.34 14.04 96.37 -124.03 77.43 7.22 98.75 1.05 0.21 75.74 13.75 9.25 0.04 0.19 0.00 0.73 0.31 71 E C C 114.39 1.97 11.61 14.85 118.74 140.58 -79.30 145.09 92.49 7.45 0.06 85.41 6.73 0.32 0.01 0.05 0.00 6.89 0.59 72 E E E 130.67 4.18 10.92 17.40 114.52 -116.12 -80.70 135.23 7.40 92.58 0.03 6.68 0.47 0.04 0.02 0.01 0.00 79.55 13.25 73 I E E 66.80 8.17 10.72 20.89 121.89 -171.10 -121.39 134.89 14.96 85.04 0.00 14.82 0.27 0.01 0.00 0.00 0.00 84.61 0.29 74 P E E 94.97 3.07 14.77 19.01 113.76 -115.59 -69.91 139.17 18.64 81.34 0.02 17.86 0.67 0.04 0.00 0.01 0.00 80.43 0.98 75 I E E 55.09 14.39 9.24 23.55 122.06 -162.62 -114.49 138.38 38.25 61.70 0.05 36.61 1.18 0.09 0.01 0.04 0.00 58.96 3.11 76 T C C 90.92 2.99 17.41 20.88 116.02 -137.82 -97.79 134.47 54.64 45.29 0.06 51.20 2.10 0.20 0.01 0.05 0.00 45.45 0.99 77 A C C 46.61 13.16 10.87 24.17 118.70 -132.06 -87.03 142.45 56.21 43.71 0.08 51.06 3.20 0.26 0.01 0.06 0.00 44.84 0.56 78 R E E 118.13 6.58 16.41 24.46 126.33 -170.00 -126.91 142.93 24.77 75.17 0.06 22.45 2.08 0.15 0.01 0.04 0.00 74.53 0.73 79 R E E 112.93 10.40 15.13 26.33 115.94 -125.72 -91.77 130.14 12.41 87.55 0.03 11.61 0.58 0.05 0.01 0.02 0.00 86.67 1.07 80 V E E 50.59 10.93 16.70 28.85 123.64 -168.37 -119.95 134.70 11.57 88.41 0.01 11.22 0.28 0.01 0.00 0.00 0.00 88.14 0.34 81 V E E 36.99 15.47 15.88 32.04 117.02 -145.15 -100.58 129.06 13.46 86.53 0.01 13.11 0.16 0.01 0.00 0.00 0.00 86.64 0.08 82 T E E 49.62 9.64 21.29 31.70 121.50 -166.38 -115.13 133.97 6.11 93.88 0.00 6.00 0.13 0.01 0.00 0.00 0.00 93.73 0.13 83 F E E 39.28 19.74 14.87 34.25 123.57 -163.39 -116.07 135.29 4.74 95.26 0.01 4.70 0.15 0.01 0.00 0.00 0.00 94.17 0.96 84 R E E 124.08 5.60 23.17 29.51 122.19 -170.53 -124.77 130.96 32.10 67.89 0.02 31.16 0.80 0.04 0.00 0.01 0.00 67.61 0.37 85 P E E 42.25 16.68 14.06 30.26 114.73 -111.74 -68.33 149.02 49.78 50.00 0.22 47.11 2.10 0.28 0.09 0.11 0.00 48.88 1.42 86 G C C 20.32 10.08 14.59 26.04 121.10 -118.40 -77.08 168.70 97.96 1.29 0.74 96.80 1.18 0.30 0.56 0.09 0.00 0.75 0.32 87 Q H H 143.04 1.38 16.08 17.36 91.63 -95.26 -61.47 -36.21 3.64 0.01 96.35 0.64 0.67 2.20 95.57 0.91 0.00 0.00 0.00 88 K H H 133.57 1.97 17.56 19.34 91.92 52.54 -65.18 -39.66 2.25 0.01 97.74 0.30 0.24 1.60 96.88 0.98 0.00 0.00 0.00 89 L H H 24.76 16.91 12.59 29.80 92.52 49.34 -66.45 -41.39 0.88 0.00 99.11 0.16 0.09 0.54 98.23 0.98 0.00 0.00 0.00 90 K H H 91.93 9.84 16.39 26.90 91.29 53.05 -62.58 -41.93 0.40 0.00 99.59 0.08 0.04 0.22 99.42 0.25 0.00 0.00 0.00 91 A H H 60.33 1.89 19.79 20.30 91.53 50.40 -64.13 -41.35 0.62 0.00 99.38 0.09 0.04 0.38 99.28 0.21 0.00 0.00 0.00 92 R H H 111.90 5.60 18.81 24.92 92.15 49.23 -65.52 -40.57 0.93 0.00 99.06 0.15 0.08 0.57 98.96 0.24 0.00 0.00 0.00 93 V H H 25.35 16.46 13.82 30.72 92.16 49.86 -64.97 -42.10 1.25 0.01 98.74 0.26 0.13 0.72 98.54 0.34 0.00 0.00 0.00 94 E H H 104.15 4.56 17.81 23.22 91.55 51.15 -63.99 -39.53 2.97 0.02 97.00 0.63 0.28 1.86 96.27 0.94 0.00 0.01 0.00 95 A H H 66.24 2.16 17.31 19.10 92.22 52.25 -66.38 -37.10 8.52 0.03 91.44 1.03 0.65 6.45 90.41 1.42 0.01 0.02 0.01 96 Y H H 102.31 8.12 14.21 23.38 95.65 48.73 -79.03 -24.95 18.84 0.13 81.03 2.84 2.32 13.66 79.40 1.61 0.03 0.05 0.07 97 A C H 52.07 9.62 11.71 22.10 100.59 69.12 -74.31 -10.41 50.57 0.54 48.89 6.97 7.82 35.13 47.36 2.13 0.07 0.20 0.32 98 G C T 53.53 2.78 14.00 17.68 99.61 12.16 68.80 -2.22 75.80 0.88 23.32 16.18 12.55 46.86 20.06 3.47 0.01 0.40 0.47 99 T C C 89.48 4.35 10.06 16.01 105.56 77.22 -88.72 29.88 80.22 2.57 17.21 47.74 15.28 17.03 13.15 4.24 0.01 1.23 1.32 100 K C C 145.10 2.89 9.71 14.33 106.25 122.17 -86.62 48.69 89.63 2.01 8.37 78.25 2.55 9.25 6.02 1.77 0.00 1.04 1.11 101 S C C 82.90 3.01 11.31 15.97 109.07 74.09 -86.82 106.25 99.94 0.04 0.02 99.83 0.08 0.05 0.01 0.00 0.00 0.02 0.00