# 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 76.71 12.68 17.08 29.63 119.68 -159.00 -104.07 130.73 99.91 0.09 0.00 99.87 0.06 0.02 0.00 0.00 0.00 0.05 0.01 1 H C C 109.50 7.45 20.49 28.17 109.47 -134.20 -88.94 115.49 91.45 8.34 0.22 89.59 1.61 0.89 0.08 0.09 0.00 4.89 2.84 2 V C C 13.60 23.48 10.57 33.17 120.01 -149.38 -103.32 136.10 84.07 15.78 0.14 79.70 3.82 0.15 0.08 0.05 0.00 4.64 11.55 3 K C C 107.51 3.74 23.19 26.97 129.19 -160.80 -114.35 156.36 98.69 1.27 0.04 98.53 0.45 0.04 0.01 0.01 0.00 0.43 0.52 4 K C T 125.27 8.21 14.82 24.45 110.11 -85.03 -59.69 135.07 99.60 0.29 0.11 0.14 0.98 98.64 0.00 0.06 0.00 0.15 0.04 5 G C T 44.63 3.82 19.11 23.78 96.16 25.63 89.36 -6.58 99.91 0.06 0.03 0.14 0.97 98.83 0.00 0.02 0.00 0.04 0.00 6 D C C 36.29 13.52 14.91 29.68 118.07 133.35 -71.05 146.05 97.83 2.16 0.00 96.91 1.01 0.03 0.00 0.00 0.00 1.98 0.07 7 K E E 102.43 7.23 23.84 31.58 115.24 -124.32 -87.56 132.02 2.73 97.25 0.01 2.83 0.08 0.01 0.01 0.00 0.00 95.96 1.11 8 V E E 4.32 25.14 15.86 41.49 133.52 -174.13 -134.04 154.50 1.42 98.57 0.01 1.29 0.07 0.01 0.00 0.01 0.00 98.57 0.05 9 K E E 72.99 9.15 26.50 36.41 120.64 -137.17 -109.89 133.63 1.97 97.96 0.07 1.79 0.14 0.06 0.02 0.04 0.00 97.84 0.11 10 V E E 10.01 22.50 15.67 38.89 109.43 -121.38 -77.44 123.25 17.97 81.93 0.09 17.82 0.48 0.07 0.03 0.05 0.00 80.61 0.95 11 I C C 57.86 10.06 21.49 32.48 99.78 176.55 -100.04 -25.57 92.69 7.08 0.23 64.11 26.11 2.29 0.03 0.26 0.00 6.69 0.51 12 T C S 60.87 4.89 22.22 27.74 140.75 11.89 -152.51 158.63 96.59 2.98 0.44 9.40 82.48 5.12 0.06 0.31 0.00 1.62 1.00 13 G C S 36.48 4.77 18.47 24.48 127.44 34.34 92.61 -162.57 94.15 1.33 4.52 5.98 78.94 9.67 0.39 3.53 0.00 0.49 0.99 14 K C T 155.25 2.31 18.60 21.32 93.52 -47.18 -69.70 -22.17 90.06 0.90 9.04 1.59 20.98 67.45 0.33 8.67 0.00 0.45 0.52 15 D C T 33.61 16.02 12.61 29.00 96.47 51.78 -99.54 8.85 92.20 0.81 7.00 4.49 11.18 75.35 0.35 7.76 0.00 0.49 0.37 16 K C T 101.20 10.84 13.77 25.80 110.99 134.43 -61.31 132.18 97.93 0.66 1.41 1.25 2.11 94.85 0.15 1.00 0.00 0.30 0.34 17 G C T 51.38 3.35 19.67 23.50 94.01 21.03 85.64 -2.28 99.01 0.41 0.58 1.00 2.61 95.46 0.04 0.52 0.00 0.31 0.05 18 K C C 81.33 10.30 17.77 29.00 120.93 125.19 -81.33 148.47 96.98 2.92 0.10 91.98 4.49 0.49 0.02 0.10 0.00 2.70 0.23 19 S E E 57.92 10.10 20.50 31.39 129.05 -156.04 -121.09 148.93 10.05 89.92 0.03 9.64 0.57 0.04 0.02 0.01 0.00 87.67 2.04 20 G E E 10.43 13.46 21.38 35.81 144.88 138.01 -170.49 -175.40 1.86 98.13 0.01 1.48 0.21 0.01 0.00 0.00 0.00 98.27 0.03 21 K E E 87.01 7.90 25.84 34.63 120.28 -76.00 -102.09 138.47 0.46 99.54 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.01 22 V E E 5.72 24.84 14.69 40.60 109.32 -115.93 -74.77 124.53 0.40 99.60 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.60 0.01 23 L E E 64.98 8.35 23.53 32.67 100.50 175.58 -96.89 -32.24 1.17 98.83 0.00 0.74 0.25 0.01 0.00 0.00 0.00 98.99 0.00 24 A E E 40.44 7.07 25.88 34.12 141.28 0.05 -156.46 152.67 0.37 99.63 0.00 0.25 0.04 0.00 0.00 0.00 0.00 99.70 0.00 25 A E E 19.39 22.23 14.43 35.93 125.29 -162.27 -129.66 132.58 0.85 99.14 0.01 0.72 0.04 0.00 0.00 0.00 0.00 99.21 0.02 26 F E E 56.16 8.10 19.13 29.21 110.28 -161.62 -113.09 104.72 6.91 93.07 0.02 6.30 0.41 0.03 0.01 0.01 0.00 92.82 0.42 27 P C G 68.38 10.67 13.52 25.45 93.83 -176.03 -64.90 -31.10 52.97 1.17 45.86 2.05 3.18 44.39 0.52 48.81 0.00 0.92 0.13 28 K C T 166.58 0.73 16.18 15.34 93.05 53.64 -68.42 -34.61 55.35 0.35 44.30 0.94 2.47 49.03 0.52 46.74 0.00 0.21 0.08 29 K C T 117.52 3.65 15.96 20.17 97.36 33.08 -97.60 -4.52 56.45 0.13 43.42 0.85 2.49 49.17 0.40 46.97 0.00 0.07 0.04 30 D C T 62.49 12.25 15.30 28.40 94.81 -126.61 56.34 42.21 99.61 0.11 0.28 2.75 2.53 94.42 0.03 0.19 0.00 0.08 0.01 31 R E E 59.93 11.74 21.74 34.26 135.18 125.69 -132.53 155.94 4.16 95.84 0.00 3.33 0.39 0.04 0.00 0.00 0.00 96.11 0.13 32 V E E 4.11 24.64 18.23 43.75 122.41 -145.13 -117.37 133.97 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 33 L E E 36.43 11.29 26.45 38.83 117.09 -152.40 -105.64 127.12 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 34 I E E 6.61 24.39 16.83 41.75 118.72 -168.05 -113.59 126.00 0.26 99.73 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 35 E E E 92.76 7.30 23.00 30.64 118.53 -149.43 -90.25 142.12 14.77 85.10 0.14 5.75 3.27 5.77 0.01 0.14 0.00 84.90 0.16 36 G C S 38.65 5.63 21.86 28.18 96.55 19.69 78.02 8.05 74.31 25.47 0.23 14.95 36.34 20.43 0.01 0.26 0.00 27.69 0.31 37 I C C 27.03 21.40 12.42 32.87 113.82 140.38 -88.46 127.66 66.83 32.43 0.75 52.98 9.88 3.08 0.10 0.72 0.00 32.21 1.03 38 N C E 81.12 7.55 21.15 28.92 106.60 -143.15 -98.53 71.09 56.15 43.20 0.65 37.48 13.83 4.79 0.09 0.64 0.00 42.14 1.04 39 M E E 69.05 13.82 15.42 29.34 119.76 137.30 -103.17 133.91 24.83 74.74 0.42 20.39 4.10 0.78 0.11 0.30 0.00 72.67 1.64 40 V E E 60.40 11.02 15.42 27.39 123.25 -167.40 -117.65 136.66 12.88 86.85 0.27 11.39 1.37 0.31 0.10 0.17 0.00 85.67 1.00 41 K E E 113.26 7.74 14.90 23.93 115.94 -138.15 -95.57 130.43 15.42 84.03 0.55 13.37 1.66 0.52 0.19 0.36 0.00 82.96 0.95 42 K E E 111.04 7.44 13.05 21.91 117.14 -158.41 -101.98 133.60 32.47 65.08 2.44 24.81 6.05 2.04 0.42 1.95 0.00 63.86 0.86 43 H E E 116.71 5.95 12.02 19.57 115.44 -137.44 -98.39 129.76 46.98 51.34 1.68 34.96 10.44 2.45 0.29 1.45 0.00 49.04 1.38 44 T C C 76.11 6.59 11.18 19.46 119.53 -165.88 -105.53 139.05 67.10 31.63 1.26 53.91 11.40 1.53 0.28 1.09 0.00 28.54 3.24 45 K C C 129.55 3.74 12.11 17.54 115.81 -118.38 -85.18 137.66 90.79 8.68 0.53 80.80 8.93 1.01 0.17 0.37 0.00 7.54 1.17 46 P C C 78.98 6.40 9.78 17.82 110.82 -105.65 -67.05 147.10 84.67 5.27 10.07 60.86 9.86 13.28 1.75 9.04 0.00 3.86 1.35 47 S C C 73.83 3.66 9.71 15.06 111.40 -148.70 -95.73 126.94 84.26 4.45 11.29 42.08 19.91 22.18 1.76 9.79 0.01 2.25 2.03 48 N C S 125.47 1.92 9.75 12.89 100.07 -111.99 -78.52 -15.18 87.50 2.10 10.39 23.23 35.71 28.87 1.55 8.47 0.00 1.01 1.17 49 V C S 115.77 1.64 10.68 12.92 100.02 52.40 -84.28 -21.10 90.29 2.51 7.19 23.38 39.89 27.45 1.49 5.23 0.00 1.20 1.37 50 N C C 79.22 5.56 8.58 15.99 112.54 37.87 -118.25 102.36 92.27 5.79 1.95 46.28 39.74 5.94 0.53 1.42 0.00 2.26 3.83 51 P C T 103.05 2.96 10.39 15.08 95.68 -159.63 -66.11 -20.33 85.39 1.19 13.41 15.31 13.67 55.04 1.11 13.64 0.00 0.72 0.50 52 Q C T 135.42 1.95 12.11 14.80 99.56 56.40 -88.08 2.29 81.70 3.38 14.92 13.62 13.94 53.39 1.48 14.17 0.01 2.16 1.23 53 G C C 34.04 7.52 11.74 20.66 116.59 -127.98 88.47 171.67 84.76 5.47 9.77 42.52 20.59 21.09 0.83 10.01 0.00 3.46 1.50 54 G C C 32.93 6.65 14.22 22.17 120.60 -155.01 99.16 177.88 79.14 19.25 1.61 48.95 20.68 9.47 0.22 1.61 0.00 17.56 1.51 55 I E E 86.12 10.26 12.71 23.81 121.09 -56.50 -108.43 135.11 25.69 74.21 0.11 22.44 2.80 0.30 0.03 0.09 0.00 72.48 1.87 56 L E E 74.02 7.53 15.50 24.58 122.30 -165.80 -117.10 137.03 6.54 93.45 0.02 6.06 0.36 0.03 0.01 0.01 0.00 93.15 0.38 57 N E E 93.43 9.38 14.12 24.67 118.19 -146.44 -104.95 131.73 4.62 95.37 0.01 3.94 0.52 0.02 0.00 0.00 0.00 95.43 0.08 58 V E E 61.20 8.60 16.39 26.42 129.96 175.81 -133.12 144.82 3.12 96.87 0.01 2.84 0.19 0.01 0.00 0.01 0.00 96.81 0.14 59 E E E 107.77 8.77 17.02 26.84 115.74 -118.83 -84.57 134.37 7.56 92.43 0.01 7.08 0.37 0.03 0.00 0.01 0.00 92.19 0.33 60 A E E 21.92 14.73 16.82 32.36 134.24 167.39 -138.57 153.77 32.29 67.70 0.01 30.57 0.76 0.02 0.00 0.00 0.00 68.46 0.19 61 P E E 63.55 9.49 22.54 32.16 114.02 -103.62 -69.04 143.11 27.17 72.82 0.01 24.14 2.31 0.08 0.00 0.01 0.00 72.89 0.57 62 I E E 13.21 23.36 15.68 39.15 127.89 -168.97 -125.90 142.89 12.42 87.57 0.01 11.67 0.71 0.03 0.00 0.01 0.00 83.50 4.08 63 H E E 64.29 8.88 24.69 34.22 113.59 -119.03 -79.95 134.73 22.79 77.19 0.02 24.16 0.29 0.01 0.01 0.01 0.00 70.82 4.70 64 V H G 24.57 21.85 16.05 37.65 91.58 -127.78 -60.10 -30.73 7.90 0.34 91.76 1.18 0.93 4.86 1.63 91.05 0.00 0.34 0.01 65 S H G 63.02 7.95 22.45 31.28 90.44 66.45 -70.91 -14.49 7.16 0.24 92.60 0.43 0.64 5.37 1.34 91.99 0.00 0.22 0.01 66 N H G 53.42 12.74 21.49 34.92 96.81 53.74 -100.92 3.50 8.20 0.28 91.52 0.95 1.05 5.18 1.02 91.55 0.00 0.24 0.01 67 V C E 7.19 25.02 16.40 41.91 119.80 96.30 -96.08 136.15 48.91 47.37 3.72 37.40 9.78 1.50 1.86 2.01 0.02 38.67 8.76 68 M E E 50.78 13.45 25.55 38.79 124.92 -166.54 -118.48 139.56 44.68 55.16 0.15 42.50 1.78 0.19 0.06 0.09 0.00 52.93 2.46 69 L E E 30.10 19.08 21.36 39.81 115.19 -125.10 -82.73 134.09 37.45 62.46 0.09 31.28 5.26 0.29 0.02 0.08 0.00 62.09 0.98 70 I E E 39.20 14.26 18.53 33.56 120.62 -159.37 -112.48 133.47 8.51 91.44 0.04 7.86 0.34 0.01 0.06 0.01 0.00 51.09 40.62 71 D C C 32.34 11.22 14.81 28.24 108.13 -127.88 -82.54 116.97 90.00 9.98 0.02 90.68 0.54 0.05 0.00 0.01 0.00 7.76 0.97 72 P C T 77.34 8.05 13.74 23.49 92.57 -154.94 -65.46 -25.16 99.79 0.05 0.17 0.32 3.07 96.43 0.01 0.14 0.00 0.03 0.01 73 K C T 158.34 1.11 14.73 15.34 97.56 47.17 -77.07 -38.62 99.74 0.06 0.20 0.12 2.42 97.25 0.00 0.16 0.00 0.03 0.02 74 T C T 81.06 2.90 13.38 17.06 101.51 21.27 -103.53 -17.60 99.72 0.08 0.20 0.56 4.05 95.14 0.01 0.18 0.00 0.04 0.02 75 G C C 42.32 6.78 11.94 20.50 96.16 -125.96 77.25 7.37 99.12 0.71 0.18 73.59 11.06 14.46 0.04 0.16 0.00 0.45 0.25 76 E C C 104.07 3.50 17.34 21.93 118.44 138.10 -81.56 143.18 89.53 10.43 0.04 71.53 18.45 0.25 0.01 0.04 0.00 8.76 0.97 77 P E E 71.16 9.64 16.72 27.05 114.37 -103.83 -65.51 144.56 8.53 91.41 0.06 7.83 0.50 0.04 0.07 0.02 0.00 50.46 41.09 78 T C C 23.03 18.11 15.04 33.09 131.05 -168.64 -126.95 153.00 52.07 47.88 0.05 49.30 2.15 0.11 0.01 0.03 0.00 47.84 0.55 79 R E E 98.63 9.38 23.25 33.05 117.69 -120.43 -96.31 135.22 18.36 81.61 0.03 16.92 1.31 0.07 0.01 0.02 0.00 80.47 1.20 80 V E E 24.99 20.55 16.31 36.43 119.03 -145.70 -100.56 132.86 10.73 89.27 0.01 10.20 0.36 0.02 0.00 0.00 0.00 89.21 0.20 81 G E E 13.20 10.65 21.80 33.49 139.55 159.60 -150.09 177.10 2.39 97.61 0.00 2.05 0.14 0.01 0.00 0.00 0.00 97.75 0.05 82 Y E E 96.07 13.79 15.95 29.80 129.35 -116.45 -130.32 146.36 1.25 98.74 0.00 1.10 0.05 0.00 0.00 0.00 0.00 98.82 0.03 83 E E E 78.27 7.48 16.45 25.39 131.63 -173.95 -135.52 152.24 1.11 98.89 0.00 0.93 0.06 0.00 0.00 0.00 0.00 98.99 0.01 84 V E E 86.60 6.60 12.11 20.54 116.20 -129.72 -100.06 127.58 4.02 95.98 0.01 3.35 0.31 0.03 0.00 0.00 0.00 96.26 0.05 85 K E E 102.20 5.82 9.52 17.33 117.27 173.99 -129.28 116.62 9.72 90.18 0.09 6.29 2.25 0.79 0.01 0.08 0.00 90.21 0.37 86 G C T 67.82 0.41 11.66 10.49 100.25 -30.95 59.66 -49.08 99.58 0.28 0.15 0.66 6.27 92.67 0.00 0.17 0.00 0.20 0.02 87 D C T 136.27 0.61 10.42 10.76 95.54 -38.59 -28.76 9.74 99.77 0.12 0.11 0.68 6.34 92.75 0.00 0.12 0.00 0.08 0.01 88 K E E 117.75 3.14 11.62 16.73 124.92 98.25 -111.76 146.51 6.31 93.68 0.01 4.37 1.53 0.08 0.00 0.01 0.00 93.83 0.18 89 K E E 106.83 7.48 12.83 22.00 115.74 -125.75 -88.88 131.15 1.47 98.53 0.00 1.29 0.04 0.00 0.00 0.00 0.00 98.66 0.01 90 V E E 26.32 12.85 15.43 30.16 128.35 -173.27 -125.36 145.22 0.60 99.40 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.45 0.00 91 R E E 67.74 12.18 19.82 32.87 116.08 -130.62 -95.47 129.98 0.26 99.74 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 92 V E E 20.35 14.33 19.32 35.00 128.74 -173.64 -125.70 144.68 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.81 0.03 93 A E E 10.26 16.17 15.18 33.26 110.20 -114.29 -72.75 128.68 6.72 93.27 0.01 6.58 0.13 0.01 0.00 0.00 0.00 92.87 0.41 94 K C T 98.86 9.62 17.42 27.96 93.98 -148.01 -66.96 -31.80 98.60 1.08 0.31 1.05 3.55 94.20 0.01 0.27 0.00 0.82 0.09 95 K C T 133.88 3.64 17.61 21.92 97.05 46.00 -77.83 -38.92 99.42 0.25 0.33 0.13 1.86 97.59 0.00 0.24 0.00 0.11 0.06 96 S C T 59.60 4.32 16.11 21.34 101.60 21.30 -107.03 -14.74 99.63 0.10 0.27 0.48 2.81 96.40 0.01 0.22 0.00 0.06 0.02 97 G C C 33.87 10.31 13.23 24.60 95.33 -121.98 80.00 7.82 99.29 0.57 0.14 86.17 5.77 7.33 0.03 0.11 0.00 0.41 0.17 98 E C C 93.38 4.50 17.28 23.24 117.51 145.48 -74.87 143.44 91.88 8.10 0.03 89.80 2.28 0.11 0.00 0.02 0.00 7.24 0.54 99 V E E 79.08 9.10 15.93 26.00 112.77 -113.34 -76.25 131.61 2.46 97.51 0.03 2.34 0.14 0.01 0.04 0.01 0.00 75.46 22.01 100 I E E 47.83 15.34 11.55 26.83 106.51 -168.06 -92.10 11.72 34.44 65.42 0.14 30.33 2.53 0.47 0.03 0.12 0.00 65.88 0.65 101 D C C 94.39 4.60 15.11 20.86 117.64 -2.97 -100.95 131.15 66.41 33.41 0.19 63.53 1.29 0.87 0.03 0.14 0.00 33.33 0.81 102 K C C 141.89 4.88 13.88 20.34 106.84 -136.62 -85.49 100.29 99.74 0.25 0.01 99.71 0.09 0.03 0.00 0.00 0.00 0.17 0.01