# 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 Q C C 107.80 5.61 19.01 25.63 119.71 -159.82 -106.30 131.66 99.39 0.60 0.01 99.46 0.06 0.02 0.01 0.00 0.00 0.44 0.01 1 V C C 42.01 19.11 11.39 29.35 121.29 -159.88 -109.81 132.44 59.33 40.34 0.33 58.86 0.38 0.19 0.17 0.08 0.00 39.53 0.79 2 Q E E 98.22 4.81 21.10 26.60 121.18 -165.94 -114.31 135.32 30.00 69.40 0.60 27.52 1.52 0.41 0.38 0.23 0.00 69.02 0.92 3 L E E 50.17 19.88 12.73 31.51 117.93 -144.56 -98.14 131.44 26.32 72.95 0.73 24.85 1.06 0.31 0.43 0.29 0.00 72.17 0.89 4 V E E 68.36 7.85 20.76 29.42 123.71 -170.19 -119.80 135.86 28.97 70.16 0.87 25.86 2.06 0.55 0.54 0.35 0.00 69.41 1.22 5 E E E 96.47 12.84 16.36 29.04 115.93 -131.05 -90.24 132.70 42.62 55.81 1.58 33.45 6.58 2.30 0.60 0.94 0.00 55.07 1.06 6 S C C 52.89 11.50 17.52 28.93 105.80 -168.61 -97.92 3.43 67.78 30.92 1.30 39.92 18.55 9.16 0.29 1.06 0.00 30.02 0.99 7 G C S 35.76 9.58 19.44 29.04 115.39 -91.21 121.72 32.67 74.38 24.79 0.83 31.58 31.94 10.62 0.11 0.82 0.00 24.01 0.93 8 G C C 29.71 13.50 17.44 30.42 130.71 -111.72 137.99 175.78 63.20 36.45 0.35 43.20 16.65 2.77 0.05 0.37 0.00 36.14 0.83 9 G E E 24.05 12.43 19.93 32.37 139.39 148.00 -160.67 173.62 22.15 77.76 0.09 18.11 3.65 0.33 0.02 0.07 0.00 77.01 0.80 10 L E E 83.36 10.83 22.38 33.13 122.26 -104.74 -109.01 137.00 5.85 94.12 0.04 5.18 0.55 0.05 0.02 0.02 0.00 93.76 0.43 11 V E E 18.42 21.26 14.89 35.81 127.01 -170.64 -123.35 141.34 6.42 93.53 0.04 6.38 0.25 0.02 0.03 0.01 0.00 91.50 1.80 12 Q C C 93.10 5.23 23.34 28.76 120.64 -127.66 -83.93 152.35 63.70 36.17 0.14 63.65 0.81 0.16 0.05 0.07 0.00 33.72 1.55 13 A C T 56.03 12.48 14.51 27.26 109.44 -86.00 -59.10 136.20 98.45 1.11 0.43 0.38 2.58 95.86 0.02 0.32 0.00 0.75 0.09 14 G C T 51.66 3.01 19.55 23.02 96.25 22.79 87.69 -5.33 99.19 0.54 0.27 0.44 3.05 95.83 0.01 0.23 0.00 0.39 0.04 15 G C C 24.57 8.84 16.52 26.73 128.26 115.26 -87.89 173.15 93.26 6.68 0.06 73.80 19.22 0.30 0.01 0.06 0.00 6.12 0.49 16 S C C 55.51 9.71 20.02 30.58 131.08 -120.91 -126.52 152.52 55.09 44.89 0.02 55.29 0.62 0.03 0.00 0.01 0.00 43.17 0.88 17 L E E 17.37 22.80 16.11 38.70 125.15 -158.43 -122.23 139.66 1.89 98.11 0.00 1.80 0.05 0.00 0.00 0.00 0.00 98.01 0.14 18 R E E 117.86 7.80 25.15 33.74 118.25 -150.21 -110.94 129.09 0.56 99.44 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.44 0.02 19 L E E 6.08 25.77 16.71 42.94 123.15 -170.85 -118.35 135.12 2.42 97.57 0.01 2.25 0.09 0.01 0.00 0.00 0.00 97.58 0.06 20 S E E 42.16 9.55 27.00 37.06 124.05 -160.17 -111.32 143.44 12.77 87.16 0.07 11.43 0.71 0.09 0.02 0.03 0.00 87.53 0.19 21 C E E 7.21 25.22 17.35 42.56 133.96 169.23 -139.62 149.54 20.89 78.87 0.24 18.69 1.53 0.30 0.09 0.14 0.00 78.57 0.68 22 A E E 40.23 9.90 27.39 38.00 120.58 -151.95 -110.09 138.99 19.62 79.80 0.58 17.15 1.93 0.51 0.27 0.35 0.00 76.86 2.92 23 A E E 9.98 24.63 15.70 40.03 123.96 -168.09 -118.90 137.32 40.99 57.44 1.57 36.39 3.45 1.15 0.43 1.18 0.00 54.96 2.44 24 S C E 56.36 7.91 22.22 30.53 125.07 -163.35 -118.50 147.28 59.35 38.89 1.75 32.12 20.08 9.53 0.26 1.58 0.00 34.97 1.45 25 G C S 42.31 5.42 20.70 26.86 111.78 19.28 94.65 -21.37 71.96 26.35 1.68 21.05 39.25 12.53 0.23 1.42 0.01 24.01 1.51 26 I C C 69.83 13.81 15.96 29.62 116.84 -23.33 -96.50 130.14 71.32 26.49 2.19 56.18 11.69 3.18 0.67 1.68 0.00 22.69 3.90 27 I C C 75.89 11.37 17.33 29.04 111.02 -163.88 -101.87 103.03 75.13 22.71 2.16 57.72 11.65 5.03 0.66 1.66 0.00 18.34 4.95 28 F C C 85.85 12.38 16.08 28.57 115.48 53.84 -104.10 128.68 78.23 17.74 4.04 42.02 21.54 16.06 0.99 3.05 0.02 12.28 4.03 29 G C S 37.12 7.95 18.38 26.74 117.45 3.35 95.35 -37.94 86.67 9.25 4.07 24.00 37.03 26.41 0.61 3.42 0.01 6.74 1.79 30 R C S 136.00 7.38 19.85 27.49 103.49 -49.42 -90.89 5.01 86.93 9.17 3.90 17.15 42.23 28.23 0.47 3.26 0.00 7.35 1.30 31 N C C 37.45 17.42 17.71 34.47 116.78 86.21 -98.75 136.07 68.80 28.88 2.33 31.06 26.91 12.03 0.32 2.02 0.00 26.09 1.57 32 A E E 19.30 15.55 24.77 40.38 126.35 -156.24 -121.00 144.60 28.62 71.11 0.27 24.77 2.88 0.53 0.05 0.21 0.00 70.93 0.63 33 M E E 4.52 25.86 21.65 47.59 127.24 -164.43 -123.68 142.33 3.46 96.53 0.01 3.17 0.20 0.02 0.00 0.01 0.00 96.47 0.14 34 G E E 5.25 18.86 27.73 46.28 136.15 -175.01 -136.34 159.43 0.93 99.07 0.00 0.83 0.04 0.00 0.00 0.00 0.00 99.12 0.01 35 W E E 6.61 25.20 23.28 48.41 129.24 -138.62 -125.37 143.32 0.59 99.40 0.00 0.54 0.02 0.00 0.00 0.00 0.00 99.44 0.01 36 Y E E 25.11 17.99 25.46 43.06 134.42 -173.66 -135.58 149.74 0.45 99.55 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.57 0.01 37 R E E 40.98 18.22 22.09 39.63 125.28 -153.10 -119.25 139.15 1.12 98.88 0.00 0.94 0.07 0.00 0.00 0.00 0.00 98.95 0.03 38 Q E E 51.23 13.18 19.17 32.90 117.37 -146.69 -104.69 131.08 11.77 88.21 0.01 10.80 0.56 0.03 0.00 0.01 0.00 88.04 0.56 39 A C C 25.73 11.90 14.44 27.81 117.89 -130.76 -77.97 152.61 96.88 3.06 0.06 95.07 1.50 0.39 0.01 0.04 0.00 2.64 0.34 40 P C T 89.18 6.32 13.21 21.07 109.40 -76.47 -59.06 135.23 99.38 0.16 0.46 0.45 3.65 95.27 0.01 0.49 0.00 0.09 0.04 41 G C T 67.63 0.43 13.62 11.88 96.38 17.59 83.41 -3.00 99.35 0.12 0.53 0.69 3.63 94.97 0.02 0.59 0.00 0.08 0.02 42 K C S 109.09 5.26 9.97 17.27 128.19 95.07 -113.46 161.82 95.98 3.23 0.79 40.75 52.82 2.68 0.13 0.69 0.00 1.54 1.39 43 E C C 140.43 1.61 17.06 18.18 116.61 -95.37 -75.62 150.16 94.78 5.03 0.20 78.90 15.20 0.79 0.04 0.17 0.00 4.24 0.66 44 R C C 92.96 16.14 11.83 27.17 114.92 -104.69 -75.04 137.69 54.65 45.16 0.19 51.58 1.77 0.19 0.04 0.12 0.00 45.82 0.49 45 E E E 68.97 10.30 20.41 31.51 125.64 -167.38 -122.78 138.69 5.34 94.51 0.15 4.67 0.44 0.07 0.05 0.07 0.00 94.51 0.19 46 L E E 54.19 15.89 20.46 36.01 111.04 -115.30 -74.65 128.16 1.34 98.60 0.06 1.18 0.07 0.01 0.01 0.02 0.00 98.67 0.04 47 V E E 9.78 21.35 21.93 43.40 102.10 175.88 -100.57 -31.64 4.52 95.41 0.07 2.72 1.48 0.13 0.01 0.04 0.00 95.60 0.03 48 A E E 3.67 21.89 23.56 45.63 142.92 -2.04 -156.29 154.05 1.19 98.77 0.05 0.88 0.15 0.03 0.01 0.02 0.00 98.89 0.02 49 G E E 7.64 19.66 24.54 43.45 135.50 -171.36 -140.73 151.53 2.03 97.90 0.07 1.73 0.15 0.03 0.02 0.03 0.00 97.99 0.06 50 I E E 13.92 20.27 20.72 41.16 122.10 -154.67 -118.80 131.59 5.03 94.82 0.15 4.07 0.76 0.15 0.05 0.07 0.00 94.47 0.42 51 T E E 35.87 12.29 20.03 33.11 122.74 -165.98 -114.13 141.12 27.77 71.52 0.71 21.46 4.96 1.59 0.14 0.54 0.00 70.58 0.73 52 R C T 98.34 11.91 14.94 27.09 104.47 -169.12 -92.19 4.71 66.45 29.20 4.35 15.92 20.46 31.52 0.45 3.72 0.02 26.48 1.42 53 R C T 163.56 2.74 15.21 18.72 102.24 50.02 -89.32 54.99 85.19 9.60 5.21 9.53 21.83 53.94 0.45 5.00 0.01 7.96 1.29 54 G C T 54.30 2.67 13.84 17.52 106.35 -42.40 85.84 -13.74 93.50 2.29 4.21 11.99 31.17 50.04 0.30 4.33 0.00 1.67 0.50 55 S C S 68.81 4.71 13.97 20.19 119.03 86.55 -103.49 149.14 78.68 19.49 1.84 28.70 28.80 21.82 0.21 1.77 0.00 17.37 1.34 56 I C E 85.59 10.28 14.53 25.53 118.38 -138.89 -102.62 132.39 51.38 48.19 0.43 41.24 7.88 1.55 0.08 0.39 0.00 47.75 1.10 57 T E E 52.35 13.16 15.86 29.37 122.67 -170.55 -115.43 135.23 20.93 78.82 0.25 17.72 2.67 0.53 0.06 0.17 0.00 77.89 0.95 58 Y E E 89.87 12.41 19.64 32.17 124.30 -166.76 -120.87 135.95 10.12 89.65 0.22 8.52 1.47 0.32 0.09 0.14 0.00 87.72 1.74 59 Y E E 74.16 15.64 17.79 32.95 127.18 -166.77 -119.55 144.57 29.57 69.84 0.59 25.52 3.32 0.75 0.23 0.39 0.00 67.74 2.06 60 A C C 20.34 16.67 14.88 31.73 115.80 -123.72 -78.16 141.80 84.74 12.64 2.62 73.00 8.89 2.47 0.92 1.65 0.00 11.65 1.42 61 D H G 106.59 3.37 18.74 23.20 93.09 -126.23 -62.54 -31.51 47.16 1.69 51.15 6.85 10.14 30.90 4.21 46.20 0.02 1.10 0.59 62 S H G 57.51 8.13 18.06 27.07 91.62 60.35 -71.00 -19.33 47.83 0.82 51.35 2.84 6.27 37.71 3.70 48.61 0.01 0.51 0.36 63 V H G 9.94 22.36 11.39 33.79 98.30 46.02 -101.43 -0.52 48.03 2.31 49.66 5.53 7.88 35.07 4.32 44.78 0.04 1.49 0.88 64 K C T 122.06 7.33 15.33 25.01 110.25 123.64 -59.92 130.11 90.91 4.12 4.97 4.27 5.58 81.55 1.55 2.61 0.01 2.11 2.32 65 G C T 60.77 1.54 18.89 19.71 94.57 13.38 81.28 -3.12 95.76 0.54 3.70 1.24 5.39 89.72 0.54 2.55 0.00 0.37 0.18 66 R C T 87.32 12.19 17.41 29.81 100.70 72.74 -100.44 -21.46 95.12 2.10 2.79 8.19 22.79 64.15 0.37 2.27 0.00 1.95 0.28 67 F E E 10.04 23.56 13.25 37.15 137.39 29.68 -140.08 153.88 13.55 86.41 0.04 10.17 3.47 0.19 0.01 0.03 0.00 84.54 1.58 68 T E E 59.05 7.27 26.38 34.30 126.36 -153.80 -123.26 141.22 1.99 98.01 0.00 1.89 0.06 0.00 0.00 0.00 0.00 97.99 0.06 69 I E E 19.02 24.18 15.45 39.46 122.37 -159.11 -118.94 130.19 1.47 98.53 0.00 1.44 0.03 0.00 0.00 0.00 0.00 98.50 0.02 70 S E E 44.42 7.62 25.53 33.46 131.61 -174.80 -131.07 149.68 2.07 97.93 0.00 1.87 0.07 0.00 0.00 0.00 0.00 98.04 0.02 71 R E E 78.70 18.66 14.26 31.95 123.34 -152.93 -119.94 133.56 3.13 96.85 0.01 2.69 0.30 0.02 0.00 0.01 0.00 96.83 0.15 72 D E E 55.34 7.13 17.51 26.28 109.06 -155.92 -106.23 105.57 15.86 84.08 0.05 15.33 0.57 0.07 0.02 0.03 0.00 82.84 1.15 73 N C T 92.24 8.49 13.09 23.23 93.50 -169.41 -68.11 -27.51 88.33 0.33 11.33 1.05 4.65 80.61 0.19 13.21 0.00 0.20 0.09 74 A C T 89.72 1.13 15.92 16.27 92.73 56.17 -68.93 -35.42 88.41 0.43 11.16 0.52 4.00 82.53 0.17 12.40 0.00 0.24 0.14 75 K C T 111.06 4.33 16.23 21.35 97.51 31.82 -96.41 -4.61 91.23 0.10 8.67 0.80 5.04 83.61 0.13 10.33 0.00 0.05 0.04 76 N C T 54.41 13.38 15.61 29.93 94.96 -128.48 57.39 42.22 99.67 0.11 0.22 4.75 4.62 90.35 0.03 0.14 0.00 0.08 0.02 77 T E E 26.38 12.34 21.86 35.36 132.32 128.01 -132.10 152.74 8.76 91.23 0.01 7.67 0.84 0.04 0.00 0.01 0.00 90.34 1.10 78 V E E 5.29 24.47 19.01 44.01 121.99 -152.31 -117.13 132.86 1.23 98.76 0.00 1.19 0.03 0.00 0.00 0.00 0.00 98.72 0.06 79 Y E E 49.00 13.05 27.04 40.60 121.42 -163.16 -114.76 131.93 1.84 98.16 0.00 1.68 0.04 0.00 0.00 0.00 0.00 98.28 0.00 80 L E E 3.28 26.16 20.27 47.13 119.86 -162.61 -111.03 128.98 0.31 99.69 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.70 0.00 81 Q E E 51.45 11.82 27.42 39.71 120.01 -163.11 -112.78 128.96 0.15 99.85 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.01 82 M E E 7.88 24.62 17.51 42.46 120.08 -167.98 -114.66 130.18 12.57 87.42 0.00 12.79 0.10 0.00 0.00 0.00 0.00 86.28 0.83 83 N C C 62.83 8.66 22.95 31.84 121.09 -156.73 -99.18 153.31 96.61 3.35 0.04 51.31 41.16 3.64 0.00 0.07 0.00 3.62 0.20 84 S C S 62.32 5.55 24.25 30.08 96.22 8.61 59.06 50.06 99.25 0.73 0.03 12.72 82.57 4.03 0.00 0.03 0.00 0.53 0.12 85 L C C 14.89 24.36 11.20 35.32 114.91 -158.15 -72.63 135.38 99.04 0.95 0.01 97.83 1.31 0.02 0.00 0.00 0.00 0.24 0.60 86 K C C 92.03 4.99 24.69 29.74 131.42 -170.57 -127.71 156.51 99.86 0.13 0.02 99.41 0.46 0.01 0.00 0.00 0.00 0.03 0.08 87 P H G 67.46 13.43 16.07 29.47 91.28 -104.03 -59.12 -31.64 4.76 0.03 95.22 0.27 0.28 2.90 0.23 96.30 0.00 0.02 0.00 88 E H G 117.74 4.65 22.03 27.43 90.35 62.60 -72.87 -14.47 3.90 0.03 96.06 0.14 0.22 2.54 0.18 96.89 0.00 0.03 0.00 89 D H G 12.80 21.49 17.22 38.94 94.93 69.07 -83.75 2.03 5.66 0.07 94.27 1.23 0.63 1.80 0.29 95.99 0.00 0.05 0.00 90 T C C 29.24 17.61 21.99 39.35 115.88 110.55 -80.81 135.18 92.57 7.32 0.11 89.64 3.20 0.10 0.01 0.10 0.00 6.64 0.32 91 A E E 9.17 20.02 24.42 43.61 142.82 155.00 -151.57 170.16 4.54 95.45 0.01 4.33 0.20 0.01 0.00 0.00 0.00 95.01 0.44 92 V E E 23.16 18.32 26.42 44.22 118.96 -104.01 -103.43 132.97 0.58 99.42 0.00 0.61 0.01 0.00 0.00 0.00 0.00 99.35 0.02 93 Y E E 5.35 25.65 22.96 48.49 123.07 -166.00 -112.76 137.67 0.32 99.68 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.01 94 Y E E 22.59 20.12 28.10 47.15 132.91 -173.54 -132.28 150.47 0.93 99.05 0.01 0.77 0.05 0.01 0.00 0.00 0.00 99.14 0.02 95 C E E 3.07 25.45 23.84 49.13 127.37 -160.68 -125.28 143.28 7.30 92.55 0.15 5.85 1.07 0.20 0.04 0.08 0.00 92.58 0.19 96 A E E 12.04 18.11 26.61 44.31 126.97 -157.55 -119.40 143.60 13.20 86.58 0.22 11.48 1.51 0.26 0.09 0.12 0.00 85.39 1.14 97 A E E 15.17 20.25 19.67 39.37 124.00 -152.38 -114.40 143.50 45.03 54.76 0.21 38.71 5.49 0.45 0.08 0.16 0.00 51.10 4.02 98 D C C 48.50 11.12 18.50 30.57 114.79 -130.73 -94.56 127.57 88.60 11.19 0.21 81.06 6.55 0.69 0.05 0.18 0.00 10.16 1.31 99 P C T 83.70 8.23 15.19 24.50 95.99 -137.02 -66.99 -17.52 95.70 2.16 2.14 20.10 20.73 54.71 0.23 2.17 0.00 1.61 0.44 100 A C T 83.66 2.33 15.36 18.19 97.75 61.38 -83.33 -8.57 95.98 1.56 2.46 16.13 25.66 53.95 0.27 2.50 0.00 0.94 0.55 101 S C S 47.89 9.26 10.54 21.10 118.00 80.76 -103.63 132.67 96.72 2.17 1.11 38.80 53.53 4.26 0.24 0.91 0.00 0.90 1.38 102 P C C 96.04 4.46 13.70 19.68 103.30 -131.32 -69.84 37.20 97.20 1.05 1.75 43.32 39.15 14.62 0.30 1.55 0.00 0.51 0.56 103 A C C 56.10 7.45 12.55 21.40 118.45 91.46 -95.28 140.00 93.27 2.26 4.48 39.95 39.79 13.21 0.82 3.74 0.00 0.95 1.54 104 P C T 86.82 6.30 15.73 23.16 107.77 -103.96 -69.72 137.65 85.33 1.68 12.99 29.23 18.49 37.15 1.60 11.87 0.00 0.87 0.80 105 G C T 34.24 10.82 16.66 27.50 113.61 24.67 101.13 -4.17 80.32 3.87 15.81 31.47 16.96 32.22 2.23 13.56 0.01 2.18 1.37 106 D C C 62.41 12.26 18.96 31.09 108.81 -66.34 -91.07 104.04 73.36 9.89 16.76 49.94 12.69 10.19 3.16 14.70 0.01 6.76 2.56 107 Y C C 63.25 17.35 18.99 35.43 115.76 142.39 -102.93 131.03 58.73 32.34 8.93 37.72 11.58 8.86 3.04 6.28 0.09 22.02 10.41 108 W C C 52.93 19.54 20.50 38.64 106.15 -156.74 -99.45 24.15 54.51 41.71 3.78 37.24 9.40 7.45 1.65 2.48 0.06 27.16 14.57 109 G C C 18.12 16.78 21.80 37.22 119.86 -146.28 67.27 -142.87 77.69 20.85 1.46 51.43 17.24 9.08 0.34 1.32 0.00 17.03 3.57 110 Q C C 89.18 11.25 23.47 34.19 99.80 -52.53 -83.25 -0.39 85.34 13.78 0.88 51.79 28.09 5.94 0.16 0.82 0.00 10.99 2.21 111 G C C 14.34 18.51 20.00 36.95 123.26 -121.38 88.53 175.48 81.22 18.57 0.22 51.39 26.17 3.11 0.02 0.25 0.00 18.11 0.93 112 T E E 20.72 20.20 20.78 40.19 120.46 -94.31 -108.58 137.65 24.10 75.86 0.04 21.14 2.44 0.15 0.01 0.04 0.00 75.46 0.77 113 Q E E 81.33 10.90 25.21 36.07 116.77 -137.75 -96.68 129.91 2.97 97.03 0.00 2.73 0.14 0.01 0.00 0.00 0.00 96.98 0.14 114 V E E 9.04 24.54 16.31 40.98 122.97 -170.13 -117.94 133.80 1.41 98.58 0.00 1.37 0.05 0.00 0.00 0.00 0.00 98.54 0.03 115 T E E 56.48 7.99 25.39 33.79 122.08 -156.55 -110.57 137.42 1.61 98.39 0.00 1.58 0.06 0.00 0.00 0.00 0.00 98.22 0.13 116 V E E 24.16 21.61 13.26 34.09 120.05 -155.77 -107.51 133.01 11.35 88.62 0.04 10.57 0.56 0.07 0.01 0.02 0.00 88.05 0.72 117 S C C 56.40 6.44 17.48 24.77 124.12 -159.53 -104.56 157.17 55.85 44.07 0.08 54.10 0.84 0.18 0.02 0.05 0.00 43.71 1.11 118 S C C 75.20 6.27 15.40 22.89 109.60 -101.84 -78.50 127.37 99.79 0.20 0.01 99.71 0.12 0.02 0.00 0.00 0.00 0.14 0.01