# 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 107.27 6.96 16.20 23.94 117.70 -168.14 -101.38 136.88 99.93 0.06 0.00 99.91 0.04 0.01 0.00 0.00 0.00 0.03 0.00 1 A C C 47.79 10.53 14.98 26.28 118.01 -134.17 -91.61 139.91 90.85 9.00 0.16 89.46 0.66 0.69 0.02 0.08 0.00 8.59 0.50 2 T C C 40.53 13.44 17.12 31.08 120.00 -155.70 -107.02 137.78 65.15 34.66 0.18 48.31 13.77 1.33 0.02 0.21 0.00 35.84 0.51 3 Y E E 47.70 14.72 20.94 35.81 133.83 -173.01 -133.65 152.26 9.05 90.92 0.02 7.87 0.80 0.05 0.00 0.02 0.00 91.13 0.13 4 A E E 4.58 22.09 20.74 42.95 128.75 -162.42 -127.09 145.11 0.79 99.21 0.00 0.74 0.02 0.00 0.00 0.00 0.00 99.23 0.01 5 I E E 26.04 14.81 25.35 40.64 116.33 -141.68 -103.71 126.33 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 6 V E E 5.85 23.11 18.51 41.91 125.14 -171.21 -119.64 140.41 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 7 K E E 78.40 8.78 22.75 32.10 114.94 -141.71 -101.05 124.30 0.75 99.25 0.00 0.62 0.02 0.00 0.00 0.00 0.00 99.35 0.00 8 T E E 21.98 18.59 12.32 30.52 120.02 173.77 -131.56 120.02 7.34 92.61 0.04 4.90 1.58 0.37 0.00 0.04 0.00 92.93 0.18 9 G C T 54.70 3.74 15.56 20.49 95.51 -18.68 57.80 36.28 99.39 0.41 0.19 0.31 5.09 94.09 0.00 0.20 0.00 0.29 0.03 10 G C T 64.72 1.04 14.70 15.23 95.78 -43.33 81.25 1.79 99.75 0.13 0.12 0.36 5.12 94.29 0.00 0.13 0.00 0.09 0.01 11 K E E 114.33 4.06 14.56 20.62 125.86 100.20 -111.75 144.69 5.50 94.49 0.00 4.20 0.79 0.03 0.00 0.00 0.00 94.87 0.10 12 Q E E 97.74 9.59 14.00 24.79 119.36 -132.60 -99.68 133.74 1.19 98.81 0.00 1.03 0.03 0.00 0.00 0.00 0.00 98.93 0.01 13 Y E E 49.90 14.73 16.18 31.73 128.65 -173.57 -129.28 143.53 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 14 K E E 108.63 7.58 23.12 31.43 116.73 -133.66 -95.58 130.66 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 15 V E E 8.77 22.99 14.58 37.71 129.13 -174.38 -128.61 144.95 0.40 99.60 0.00 0.38 0.00 0.00 0.00 0.00 0.00 99.60 0.02 16 A E E 40.71 7.00 23.73 30.93 123.94 -140.82 -93.68 158.55 29.41 70.58 0.01 29.31 0.40 0.03 0.00 0.00 0.00 69.77 0.48 17 A C T 56.24 11.95 15.14 27.49 109.66 -82.01 -59.10 135.02 99.41 0.45 0.14 0.14 1.22 98.29 0.00 0.08 0.00 0.24 0.03 18 G C T 50.91 2.93 19.70 22.99 95.94 22.59 88.65 -6.19 99.78 0.12 0.10 0.16 1.49 98.19 0.00 0.07 0.00 0.07 0.01 19 D C C 51.17 11.68 15.33 28.04 119.53 127.53 -77.41 148.30 96.15 3.81 0.04 89.27 6.80 0.13 0.01 0.04 0.00 3.41 0.35 20 V E E 72.73 9.11 20.49 30.32 117.29 -136.03 -103.22 128.54 17.03 82.93 0.03 17.73 0.21 0.02 0.01 0.01 0.00 80.29 1.71 21 V E E 13.60 22.39 14.53 36.77 123.24 -168.43 -116.65 134.80 5.43 94.53 0.04 5.21 0.16 0.02 0.02 0.01 0.00 94.43 0.15 22 K E E 110.56 5.93 24.19 30.83 117.20 -150.27 -105.19 128.57 3.20 96.74 0.06 3.06 0.14 0.03 0.03 0.02 0.00 96.59 0.13 23 V E E 17.03 22.41 13.00 35.15 118.65 -165.91 -109.52 123.75 12.12 87.41 0.47 11.95 0.41 0.14 0.26 0.16 0.00 86.74 0.33 24 E E E 95.55 5.53 21.82 27.47 117.61 -146.89 -88.22 149.70 39.46 59.61 0.93 25.86 10.87 2.17 0.22 0.68 0.00 59.84 0.37 25 K C E 117.74 7.94 19.08 27.69 111.31 -49.45 -74.64 122.55 52.85 46.33 0.81 41.49 8.78 2.05 0.14 0.70 0.00 45.94 0.91 26 L C C 31.93 19.62 11.39 30.28 121.10 -166.77 -110.12 133.72 64.20 35.40 0.41 60.49 2.85 0.46 0.13 0.29 0.00 30.87 4.90 27 D C C 115.26 1.91 21.67 23.08 105.47 -146.93 -94.06 88.53 90.17 9.71 0.12 78.60 10.38 1.20 0.03 0.13 0.00 8.65 1.01 28 S C C 29.51 13.68 12.29 26.62 137.51 118.56 -139.63 164.80 95.71 4.24 0.05 76.19 19.53 0.53 0.01 0.05 0.00 1.57 2.12 29 E C C 128.10 2.10 20.65 21.98 118.59 -97.93 -82.63 148.33 99.76 0.21 0.02 95.89 3.71 0.17 0.01 0.01 0.00 0.07 0.14 30 P C T 77.00 10.43 12.48 23.84 110.31 -88.05 -59.17 135.57 99.72 0.13 0.15 0.36 2.25 97.18 0.01 0.10 0.00 0.06 0.03 31 G C T 52.71 2.60 17.54 20.71 95.81 23.10 87.56 -5.77 99.74 0.14 0.12 0.60 2.32 96.86 0.00 0.10 0.00 0.09 0.01 32 A C C 45.56 7.83 15.09 24.60 119.37 124.84 -78.05 150.56 90.47 9.48 0.06 82.27 7.65 0.25 0.01 0.06 0.00 9.23 0.54 33 S E E 65.97 7.72 17.69 26.86 123.69 -138.47 -112.45 142.86 12.72 87.26 0.02 12.50 0.40 0.03 0.00 0.01 0.00 86.26 0.79 34 V E E 19.13 19.81 14.23 34.05 126.92 -169.74 -126.12 139.84 1.58 98.42 0.00 1.45 0.06 0.00 0.00 0.00 0.00 98.36 0.12 35 S E E 64.31 6.28 23.55 30.65 117.92 -146.88 -105.02 130.25 2.77 97.23 0.00 2.57 0.10 0.01 0.00 0.00 0.00 97.08 0.24 36 L E E 11.72 23.63 14.42 37.90 121.30 -166.53 -110.78 133.66 30.04 69.93 0.03 28.47 1.00 0.06 0.01 0.02 0.00 70.03 0.41 37 P C E 45.43 9.25 23.89 33.79 115.30 -115.28 -70.16 151.05 54.14 45.50 0.37 41.49 9.85 0.95 0.05 0.30 0.00 47.02 0.34 38 V E E 38.22 17.39 21.89 38.29 114.91 -104.30 -81.51 133.56 38.56 60.47 0.96 31.69 5.60 1.04 0.23 0.60 0.00 60.14 0.69 39 A E E 7.86 22.13 22.05 43.50 120.84 -164.36 -111.33 133.11 12.90 86.41 0.69 10.80 1.95 0.47 0.24 0.33 0.00 85.59 0.63 40 L E E 13.26 20.99 24.55 44.69 123.79 -158.18 -115.59 134.10 3.76 96.00 0.24 3.14 0.39 0.13 0.09 0.09 0.00 96.02 0.15 41 V E E 15.43 18.48 24.18 42.56 118.36 -157.53 -109.34 127.57 2.74 97.11 0.15 2.23 0.28 0.10 0.05 0.07 0.00 97.14 0.12 42 V E E 19.13 18.57 18.62 37.37 122.06 -169.60 -117.88 130.15 8.01 91.82 0.17 6.05 1.50 0.39 0.05 0.11 0.00 91.48 0.42 43 D E E 66.80 8.03 20.41 28.97 105.83 -163.29 -111.81 64.35 46.40 53.17 0.43 29.16 11.82 4.68 0.05 0.42 0.00 53.33 0.54 44 G C T 35.91 10.40 16.45 26.77 102.87 -80.60 69.90 -69.11 96.11 2.84 1.05 11.02 40.12 45.05 0.09 1.04 0.00 2.33 0.36 45 A C T 81.03 3.53 17.15 21.32 101.83 6.59 -97.15 -20.71 96.67 1.89 1.44 10.43 43.18 43.22 0.14 1.31 0.00 1.39 0.33 46 N C E 102.12 3.35 19.08 23.13 123.02 43.55 -121.16 138.95 54.91 43.98 1.11 23.82 22.65 10.01 0.19 0.93 0.00 41.27 1.11 47 V E E 39.37 20.12 11.58 30.52 118.84 -154.76 -109.07 128.52 18.64 81.06 0.30 16.23 1.81 0.38 0.16 0.14 0.00 80.05 1.23 48 T E E 65.21 7.25 21.73 29.61 124.73 -173.24 -123.75 139.65 9.98 89.65 0.38 8.59 1.12 0.28 0.30 0.13 0.00 88.01 1.56 49 S E E 36.20 17.40 14.02 30.41 129.36 102.47 -129.47 148.59 29.57 69.39 1.04 23.47 5.28 1.28 0.61 0.47 0.00 67.67 1.21 50 K C C 110.20 5.73 20.93 26.81 110.92 -132.15 -91.95 117.95 76.98 19.95 3.08 55.59 17.00 3.96 1.55 1.45 0.01 19.25 1.20 51 A H G 39.89 16.14 12.68 28.04 96.71 -147.81 -66.55 -29.48 47.91 3.33 48.76 21.04 11.77 16.28 18.80 29.00 0.06 2.02 1.04 52 D H G 110.70 2.21 18.67 21.09 92.48 61.65 -68.12 -26.06 39.58 1.85 58.57 9.12 7.87 22.09 22.32 36.71 0.11 1.10 0.68 53 D H G 65.53 9.58 17.42 27.54 96.45 53.43 -84.08 -10.84 34.87 3.11 62.02 10.05 6.83 18.07 24.87 37.12 0.18 1.99 0.90 54 L H G 10.71 24.53 11.54 35.22 96.08 70.92 -84.21 -11.13 41.70 8.48 49.83 21.44 9.48 12.37 22.65 26.06 0.19 5.37 2.44 55 A C T 58.05 8.42 19.05 28.06 94.03 89.92 -66.30 -25.35 67.41 7.39 25.20 17.35 13.89 36.48 11.15 13.62 0.25 5.33 1.92 56 K C T 134.64 3.46 21.88 25.50 97.38 42.80 -90.23 4.84 75.19 9.11 15.69 16.89 17.11 42.34 3.29 11.05 0.04 8.26 1.02 57 V C C 13.48 22.69 13.03 35.44 120.43 104.59 -96.72 136.52 61.35 38.07 0.58 51.45 6.87 1.08 0.14 0.37 0.00 39.57 0.52 58 A E E 40.90 8.87 26.44 35.74 120.59 -158.60 -109.19 134.92 6.41 93.52 0.06 6.02 0.34 0.05 0.02 0.02 0.00 93.33 0.20 59 V E E 4.22 26.15 16.12 43.09 123.57 -165.25 -119.90 133.79 0.80 99.20 0.00 0.71 0.04 0.00 0.00 0.00 0.00 99.24 0.01 60 T E E 42.04 8.70 27.52 37.20 120.54 -164.66 -113.64 132.03 0.30 99.70 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.73 0.00 61 A E E 4.49 25.69 15.42 41.44 131.46 -175.31 -131.17 149.15 0.37 99.63 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.00 62 E E E 77.29 6.90 26.82 34.42 122.32 -157.18 -118.65 133.05 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 63 V E E 24.43 20.88 14.75 35.77 109.58 -122.40 -78.41 121.90 0.30 99.70 0.00 0.31 0.00 0.00 0.00 0.00 0.00 99.68 0.01 64 L E E 72.78 6.76 20.21 28.12 100.33 175.56 -95.01 -34.05 8.70 91.29 0.01 4.06 3.48 0.21 0.00 0.01 0.00 92.22 0.03 65 E E E 88.76 4.51 22.86 27.95 139.41 -1.34 -152.34 151.93 11.46 88.53 0.01 3.37 7.00 0.32 0.00 0.01 0.00 89.25 0.05 66 H E E 77.53 18.01 13.71 30.55 122.69 -151.62 -120.58 130.53 19.64 80.34 0.02 16.32 2.09 0.07 0.00 0.01 0.00 81.40 0.10 67 T E E 47.25 8.96 18.57 28.75 128.84 -175.44 -128.45 148.39 21.89 78.08 0.02 20.57 0.70 0.05 0.01 0.02 0.00 76.68 1.97 68 K E E 129.11 6.20 17.41 25.37 117.82 -131.52 -94.19 135.75 27.24 72.74 0.02 22.52 4.50 0.18 0.01 0.02 0.00 70.66 2.11 69 G C E 17.23 14.41 13.19 27.68 132.46 -160.33 -115.71 171.65 52.02 47.95 0.03 37.85 12.55 0.23 0.00 0.03 0.00 48.83 0.51 70 P C E 72.25 5.94 18.59 25.03 113.55 -74.66 -69.26 151.60 51.74 48.03 0.23 37.84 11.59 0.84 0.03 0.18 0.00 49.20 0.32 71 K E E 102.01 9.07 16.13 25.98 115.41 -100.04 -80.02 137.61 23.78 75.91 0.30 19.19 3.81 0.51 0.07 0.21 0.00 75.79 0.43 72 I E E 46.44 13.94 13.86 28.77 121.43 -157.76 -112.50 132.89 3.87 95.92 0.21 3.68 0.19 0.05 0.10 0.09 0.00 95.61 0.28 73 R E E 104.83 7.59 18.46 27.22 116.84 -150.76 -103.23 128.77 2.42 97.43 0.15 2.27 0.10 0.03 0.06 0.05 0.00 97.38 0.10 74 I E E 45.09 12.89 14.58 28.88 119.32 -163.71 -110.65 130.39 3.63 96.11 0.26 3.22 0.24 0.07 0.09 0.10 0.00 96.18 0.09 75 H E E 70.61 8.90 15.68 26.33 124.35 -168.22 -118.95 137.74 5.11 94.45 0.44 4.38 0.46 0.18 0.16 0.18 0.00 94.44 0.21 76 K E E 98.77 7.52 14.56 23.71 120.04 -159.63 -112.87 134.27 13.62 85.57 0.82 11.30 1.81 0.56 0.31 0.38 0.00 85.26 0.37 77 F E E 87.23 7.94 10.41 20.23 117.06 -150.30 -101.45 135.36 31.66 66.82 1.52 26.66 4.12 1.22 0.74 0.77 0.00 65.19 1.31 78 K C C 129.21 3.26 10.48 15.38 111.34 -144.08 -90.56 122.19 55.09 40.14 4.77 37.16 13.25 5.94 1.76 2.88 0.02 36.77 2.20 79 N C T 112.54 2.46 8.96 12.81 110.33 -111.09 -85.41 143.42 78.53 7.83 13.63 23.96 24.77 31.39 2.68 9.73 0.02 6.10 1.34 80 K C T 178.10 0.61 9.64 9.96 97.12 -41.92 -68.90 -9.85 84.28 2.14 13.58 15.12 24.67 45.36 2.48 10.21 0.01 1.43 0.72 81 T C T 99.75 1.72 8.94 11.60 100.92 52.57 -96.02 -1.32 85.11 3.96 10.92 14.76 25.16 46.12 1.90 8.24 0.02 2.75 1.05 82 G C C 47.45 2.80 10.60 14.70 107.13 -106.34 81.58 7.37 79.97 18.28 1.75 32.15 25.94 22.04 0.22 1.70 0.00 16.91 1.02 83 Y C C 128.98 5.16 9.42 16.46 118.09 130.91 -95.57 138.01 58.70 40.77 0.53 50.88 5.09 1.35 0.11 0.45 0.00 40.56 1.56 84 H E E 104.81 6.09 11.42 19.35 121.45 -164.08 -113.51 139.04 31.00 68.68 0.32 26.86 2.88 0.83 0.07 0.25 0.00 68.22 0.89 85 K E E 117.84 6.40 12.75 20.93 120.63 -154.58 -108.54 135.19 21.48 78.33 0.20 18.68 1.79 0.45 0.04 0.16 0.00 78.45 0.43 86 R E E 112.47 9.39 12.60 23.16 122.28 -164.84 -112.66 136.58 14.90 84.92 0.19 11.95 2.03 0.54 0.04 0.14 0.00 85.00 0.31 87 Q E E 106.31 5.98 15.40 23.03 123.81 -164.24 -117.96 139.70 10.72 89.14 0.15 8.38 1.65 0.47 0.03 0.11 0.00 89.09 0.27 88 G E E 25.14 11.03 13.43 25.31 133.01 155.67 -133.61 171.26 11.53 88.37 0.10 9.34 1.56 0.27 0.02 0.08 0.00 88.49 0.24 89 H E E 101.25 6.81 17.31 25.28 125.40 -105.37 -119.00 143.07 10.95 88.99 0.06 9.92 0.73 0.11 0.02 0.04 0.00 88.13 1.04 90 R E E 102.57 12.68 13.66 26.70 119.34 -141.09 -101.65 137.55 22.87 77.07 0.06 20.61 1.60 0.16 0.01 0.05 0.00 76.87 0.69 91 Q E E 77.05 9.79 16.74 27.45 120.05 -142.01 -97.85 140.97 30.50 69.46 0.04 27.35 1.89 0.13 0.01 0.03 0.00 70.22 0.37 92 Q E E 92.29 9.62 18.59 28.60 112.37 -111.28 -75.23 134.82 30.23 69.73 0.03 27.89 1.19 0.08 0.00 0.03 0.00 70.49 0.33 93 L E E 37.76 16.14 16.89 33.07 126.65 -168.54 -121.53 147.80 14.45 85.53 0.01 13.06 0.83 0.05 0.00 0.01 0.00 85.81 0.23 94 T E E 23.10 15.84 19.09 35.56 120.99 -137.02 -105.79 137.49 3.22 96.78 0.00 2.97 0.11 0.00 0.00 0.00 0.00 96.85 0.06 95 V E E 36.74 13.02 22.84 36.44 120.05 -157.09 -112.84 130.31 1.47 98.53 0.00 1.27 0.09 0.00 0.00 0.00 0.00 98.62 0.02 96 L E E 17.42 21.87 17.92 39.67 119.54 -162.77 -109.24 128.93 0.92 99.08 0.00 0.83 0.03 0.00 0.00 0.00 0.00 99.14 0.00 97 K E E 88.22 7.92 25.09 33.38 118.94 -158.16 -108.23 130.78 0.52 99.48 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.50 0.01 98 V E E 20.61 21.63 13.51 35.16 111.66 -136.07 -87.62 122.43 1.32 98.68 0.00 1.26 0.02 0.00 0.00 0.00 0.00 98.66 0.06 99 T E E 69.33 5.28 20.99 26.91 102.64 175.22 -102.04 -23.03 13.64 86.30 0.06 9.60 3.18 0.73 0.01 0.06 0.00 86.25 0.19 100 G E E 28.78 6.33 20.90 28.08 140.63 -17.81 -173.86 168.23 27.53 72.36 0.11 15.75 10.59 1.88 0.01 0.11 0.00 71.39 0.27 101 I E E 56.06 17.96 11.45 28.34 122.01 -120.93 -116.43 131.61 38.09 61.81 0.11 37.55 0.61 0.20 0.04 0.06 0.00 59.63 1.91 102 K C C 130.01 4.08 18.58 23.60 114.04 -156.10 -100.86 127.52 98.92 1.07 0.00 98.98 0.07 0.01 0.00 0.00 0.00 0.92 0.02