# 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 101.20 6.72 19.18 26.67 116.67 -157.09 -100.90 127.66 99.61 0.39 0.00 99.65 0.05 0.01 0.00 0.00 0.00 0.28 0.01 1 V C C 40.42 18.60 12.02 29.70 121.69 -161.25 -112.50 134.18 55.86 44.06 0.08 55.56 0.33 0.12 0.02 0.03 0.00 43.08 0.86 2 Q E E 90.85 5.87 21.27 27.88 122.50 -164.13 -114.61 136.21 22.77 77.08 0.15 20.95 1.40 0.27 0.06 0.10 0.00 76.15 1.08 3 L E E 44.25 20.60 13.64 33.21 121.85 -152.43 -108.59 134.90 20.50 79.35 0.15 19.59 0.79 0.13 0.06 0.07 0.00 78.65 0.71 4 Q E E 76.07 8.77 21.87 31.16 126.89 -171.33 -123.84 141.29 20.64 79.12 0.24 18.53 1.62 0.29 0.08 0.14 0.00 78.44 0.90 5 Q E E 79.96 14.82 16.97 31.25 117.50 -136.37 -97.05 132.70 31.92 67.78 0.30 28.14 2.56 0.47 0.08 0.21 0.00 67.60 0.94 6 W C C 92.43 13.18 17.94 31.16 106.72 -169.91 -99.84 23.52 59.44 40.16 0.41 44.85 10.61 2.66 0.08 0.38 0.00 40.42 0.99 7 G C C 29.73 10.01 19.79 29.98 126.09 -80.70 112.49 -169.73 64.65 35.08 0.26 36.18 24.49 4.21 0.03 0.29 0.00 33.87 0.93 8 G C C 33.93 13.39 17.55 30.15 123.79 -91.71 -110.37 158.93 60.28 39.53 0.19 45.77 12.25 1.45 0.02 0.21 0.00 39.28 1.00 9 G E E 26.30 9.64 20.71 30.83 134.64 140.24 161.65 -174.08 28.84 71.08 0.08 19.67 9.51 0.72 0.01 0.10 0.00 69.02 0.98 10 L E E 84.68 10.08 21.34 31.42 117.91 -58.31 -97.58 134.53 12.00 87.95 0.05 10.16 1.55 0.13 0.01 0.05 0.00 86.60 1.50 11 L E E 17.73 21.58 14.18 35.50 123.55 -165.99 -115.14 138.79 12.90 87.08 0.02 12.49 0.64 0.02 0.01 0.01 0.00 78.57 8.27 12 K C C 109.69 4.58 23.60 28.31 120.34 -131.81 -90.49 147.46 94.27 5.72 0.01 93.50 1.03 0.04 0.00 0.01 0.00 4.88 0.53 13 P C T 53.86 14.44 13.67 28.11 110.31 -89.68 -61.30 140.55 99.46 0.40 0.13 0.43 3.16 96.00 0.00 0.11 0.00 0.23 0.07 14 S C T 79.08 4.19 19.49 24.52 94.78 15.26 78.15 4.78 99.64 0.24 0.11 0.61 3.33 95.76 0.00 0.10 0.00 0.17 0.02 15 Q C C 74.71 8.09 16.75 26.14 125.40 118.05 -94.25 155.83 94.08 5.84 0.08 70.67 23.35 0.29 0.01 0.09 0.00 5.11 0.49 16 T E C 74.94 8.54 18.90 28.39 119.61 -127.40 -100.15 135.90 49.26 50.73 0.01 49.73 0.42 0.02 0.00 0.01 0.00 49.22 0.61 17 L E E 13.59 22.10 14.77 36.87 125.62 -169.53 -121.54 140.56 1.15 98.85 0.00 1.19 0.02 0.00 0.00 0.00 0.00 98.65 0.14 18 S E E 51.95 8.39 25.00 33.86 120.37 -151.48 -112.18 132.89 0.70 99.30 0.00 0.69 0.02 0.00 0.00 0.00 0.00 99.27 0.02 19 L E E 5.03 25.61 16.75 42.94 123.97 -170.22 -121.22 134.98 4.37 95.63 0.00 4.06 0.17 0.01 0.00 0.00 0.00 95.71 0.05 20 T E E 45.40 10.17 27.17 37.90 122.12 -162.32 -112.96 135.75 13.04 86.94 0.02 11.86 0.58 0.03 0.00 0.01 0.00 87.38 0.12 21 C E E 3.18 26.16 17.98 44.71 126.85 -171.57 -126.76 139.68 12.55 87.40 0.05 11.85 0.52 0.05 0.01 0.02 0.00 87.30 0.25 22 A E E 26.61 11.52 27.22 39.54 123.30 -162.49 -116.26 136.69 6.11 93.83 0.06 5.86 0.34 0.05 0.03 0.03 0.00 93.09 0.61 23 V E E 9.26 23.61 17.65 41.36 121.19 -162.54 -116.01 129.51 12.36 87.53 0.10 11.93 0.55 0.08 0.06 0.05 0.00 85.66 1.67 24 Y C E 80.93 10.01 21.16 31.69 122.08 -163.31 -110.69 138.81 51.69 47.66 0.65 27.42 20.41 6.07 0.08 0.64 0.00 44.36 1.02 25 R C S 145.22 4.87 21.40 26.63 97.20 1.23 61.98 40.26 82.44 16.64 0.92 17.03 52.29 12.29 0.09 0.87 0.00 16.49 0.94 26 W C C 74.25 16.26 14.03 29.77 124.90 120.57 -112.49 147.20 83.32 14.58 2.10 56.76 19.94 6.42 0.30 2.24 0.00 12.56 1.79 27 T C C 65.49 7.98 21.16 29.56 117.96 -148.77 -110.01 133.74 85.42 12.48 2.10 65.67 12.66 6.51 0.36 2.17 0.00 9.88 2.76 28 F C C 42.86 19.85 13.87 32.66 109.28 -168.72 -104.91 75.19 83.64 12.67 3.68 59.29 15.04 8.73 0.65 3.59 0.00 8.53 4.15 29 N C T 93.44 5.76 20.07 26.44 104.50 124.88 -91.87 1.14 85.97 11.47 2.56 21.14 28.67 36.82 0.30 2.40 0.00 9.02 1.64 30 D C T 82.38 6.95 20.50 27.67 98.99 35.13 -95.38 19.97 86.63 11.45 1.92 18.91 31.06 36.51 0.15 1.95 0.00 10.70 0.72 31 H C C 23.54 20.70 15.48 35.83 126.05 113.01 -108.67 148.69 63.15 36.52 0.33 51.73 9.13 0.92 0.05 0.31 0.00 36.97 0.89 32 Y E E 53.16 13.36 26.11 39.63 127.98 -162.32 -124.55 145.62 10.35 89.63 0.02 9.65 0.54 0.04 0.00 0.01 0.00 89.34 0.41 33 W E E 5.54 26.07 20.88 47.24 125.18 -156.74 -119.41 140.54 1.28 98.72 0.00 1.24 0.04 0.00 0.00 0.00 0.00 98.68 0.03 34 S E E 12.29 17.20 27.72 44.79 134.03 -175.78 -134.27 152.49 0.46 99.54 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.01 35 W E E 7.59 24.59 22.56 47.13 124.94 -152.14 -117.20 137.97 0.51 99.48 0.00 0.46 0.02 0.00 0.00 0.00 0.00 99.52 0.01 36 V E E 14.56 17.64 24.62 42.29 126.37 -166.97 -122.43 138.91 0.52 99.48 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.52 0.01 37 R E E 49.09 16.82 21.65 37.96 121.39 -157.55 -109.67 135.18 1.29 98.71 0.00 1.12 0.06 0.00 0.00 0.00 0.00 98.77 0.04 38 Q E E 52.88 12.93 18.25 31.87 116.20 -149.35 -104.26 126.32 16.09 83.89 0.02 14.51 0.97 0.05 0.00 0.01 0.00 84.00 0.46 39 S C C 32.10 9.73 14.48 25.91 118.19 -128.81 -74.63 156.62 87.38 12.33 0.28 82.46 3.25 0.81 0.05 0.23 0.00 12.49 0.70 40 P C T 96.44 5.12 12.49 19.44 109.19 -82.56 -60.26 135.46 95.45 0.31 4.24 0.83 5.83 87.85 0.09 5.12 0.00 0.18 0.11 41 G C T 69.18 0.33 12.90 10.88 96.40 15.67 82.45 -4.43 95.21 0.17 4.62 0.99 5.63 87.53 0.11 5.58 0.00 0.10 0.07 42 K C S 134.30 3.02 11.53 16.05 106.73 72.39 -104.22 -0.44 90.30 3.76 5.94 18.04 43.06 28.70 0.35 6.55 0.00 2.22 1.08 43 G C C 34.89 3.77 16.00 20.92 126.95 -120.70 90.24 -167.21 80.48 19.28 0.23 56.84 21.71 2.12 0.03 0.27 0.00 17.68 1.34 44 L E E 63.97 14.88 12.97 27.75 115.86 -27.05 -75.59 137.66 40.08 59.89 0.03 36.72 1.67 0.10 0.00 0.03 0.00 61.16 0.32 45 E E E 75.30 9.93 20.79 31.35 125.56 -169.33 -123.74 139.49 2.73 97.27 0.00 2.33 0.17 0.01 0.00 0.00 0.00 97.44 0.05 46 W E E 94.97 15.08 20.05 34.73 110.74 -113.91 -73.08 128.62 0.40 99.60 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.60 0.01 47 I E E 9.58 21.87 21.05 43.30 100.39 177.18 -100.43 -24.58 4.00 96.00 0.00 2.43 1.16 0.06 0.00 0.00 0.00 96.34 0.01 48 G E E 2.32 19.43 23.41 43.39 145.28 -40.82 162.82 170.10 1.26 98.74 0.00 0.85 0.19 0.01 0.00 0.00 0.00 98.94 0.01 49 E E E 37.54 16.12 25.31 41.19 134.50 -121.73 -138.42 150.50 0.60 99.40 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.42 0.01 50 I E E 15.99 20.28 19.04 39.54 118.54 -145.71 -109.95 127.31 0.83 99.17 0.00 0.78 0.03 0.00 0.00 0.00 0.00 98.82 0.37 51 S C C 27.67 10.25 19.89 31.11 127.71 -155.10 -95.57 173.09 52.94 47.02 0.04 52.11 0.81 0.09 0.01 0.03 0.00 46.04 0.91 52 W C T 138.62 12.11 14.58 26.87 91.60 -96.51 -64.27 -20.61 98.87 0.63 0.50 0.60 3.82 94.60 0.02 0.44 0.00 0.45 0.07 53 G C T 55.74 1.56 17.53 18.33 92.93 59.02 -84.44 -4.35 99.36 0.13 0.51 0.33 3.98 95.09 0.01 0.49 0.00 0.07 0.03 54 G C S 39.82 8.39 13.78 23.07 98.53 -102.27 88.59 4.81 98.67 0.76 0.57 16.13 80.40 2.27 0.06 0.46 0.00 0.39 0.30 55 A C C 56.92 4.51 18.58 24.15 117.50 137.52 -79.03 144.75 93.95 6.01 0.03 92.18 2.01 0.14 0.00 0.02 0.00 5.13 0.51 56 T E E 51.65 18.41 12.52 29.77 126.63 -160.21 -124.07 142.22 10.26 89.70 0.04 9.47 0.53 0.04 0.03 0.02 0.00 82.86 7.04 57 N E E 73.61 6.97 22.71 30.37 130.10 -174.11 -134.31 144.18 12.17 87.80 0.04 10.39 1.59 0.12 0.01 0.03 0.00 87.03 0.83 58 Y E E 88.52 17.29 15.24 31.49 123.02 -147.04 -106.69 139.66 32.49 67.44 0.07 29.37 2.61 0.11 0.04 0.05 0.00 59.93 7.88 59 N C C 32.87 15.17 13.23 29.12 109.08 -125.48 -83.51 119.52 99.12 0.85 0.03 98.46 0.81 0.05 0.01 0.01 0.00 0.56 0.09 60 P H G 102.04 2.55 16.66 20.11 91.11 -141.40 -59.92 -29.17 35.38 0.17 64.45 1.81 2.52 30.56 10.09 54.83 0.00 0.11 0.07 61 S H G 69.02 4.35 16.94 22.37 90.67 63.21 -68.78 -21.23 33.79 0.11 66.09 0.71 1.80 31.75 9.47 56.14 0.01 0.06 0.06 62 L H G 10.73 22.11 10.48 32.34 97.34 46.23 -96.89 -4.96 29.17 0.32 70.52 1.95 2.83 23.68 10.57 60.63 0.01 0.20 0.12 63 K H G 111.62 11.12 14.69 26.61 93.67 96.20 -59.53 -34.80 47.10 0.91 51.98 3.54 3.32 39.86 11.90 40.27 0.05 0.54 0.52 64 S C T 93.12 1.05 20.21 19.46 92.19 52.88 -73.17 -13.63 64.01 0.27 35.72 1.06 2.67 62.08 4.06 29.80 0.00 0.16 0.16 65 R C T 83.00 12.92 16.56 29.63 100.37 48.43 -103.34 -11.37 72.85 0.71 26.44 2.88 6.64 63.05 2.08 24.64 0.00 0.53 0.18 66 V E E 6.55 24.98 11.91 36.96 129.45 53.59 -126.37 143.52 14.36 85.59 0.05 11.92 2.61 0.09 0.02 0.03 0.00 84.64 0.69 67 T E E 64.75 5.97 26.49 32.90 123.71 -166.10 -118.99 137.34 1.71 98.28 0.01 1.60 0.06 0.00 0.00 0.00 0.00 98.30 0.04 68 M E E 31.31 23.58 14.09 36.90 124.91 -164.82 -118.61 133.71 1.17 98.83 0.00 1.10 0.03 0.00 0.00 0.00 0.00 98.86 0.01 69 S E E 49.68 6.28 25.81 32.53 128.77 -176.06 -128.94 146.58 1.88 98.11 0.00 1.64 0.08 0.00 0.00 0.00 0.00 98.26 0.01 70 V E E 40.55 20.59 13.11 32.80 121.83 -157.77 -119.29 130.39 2.32 97.66 0.01 1.99 0.18 0.02 0.00 0.01 0.00 97.71 0.09 71 D E E 58.76 6.38 18.71 26.44 109.30 -159.64 -108.87 108.52 15.25 84.71 0.05 14.79 0.51 0.05 0.01 0.03 0.00 83.96 0.66 72 T C T 76.61 9.95 12.80 24.13 93.64 -169.54 -68.90 -25.12 85.86 0.63 13.51 1.55 5.28 76.36 0.23 16.04 0.00 0.43 0.13 73 S C T 91.92 0.94 16.36 16.01 93.16 58.46 -70.77 -30.76 86.23 0.61 13.17 1.00 5.43 77.52 0.20 15.33 0.00 0.38 0.15 74 M C T 99.11 5.11 16.29 22.02 97.41 36.08 -94.77 -2.98 87.55 0.19 12.26 1.74 8.64 74.19 0.16 15.09 0.00 0.11 0.07 75 S C T 37.41 14.18 15.51 30.33 95.72 -129.50 56.60 40.68 99.58 0.18 0.24 5.02 5.59 88.99 0.03 0.19 0.00 0.15 0.02 76 H E E 57.36 11.18 22.44 34.39 133.81 121.33 -132.23 151.06 6.31 93.68 0.01 5.43 0.69 0.05 0.00 0.00 0.00 92.78 1.05 77 V E E 5.68 24.49 17.95 42.83 126.12 -161.39 -123.55 138.47 1.52 98.48 0.00 1.41 0.04 0.00 0.00 0.00 0.00 98.50 0.05 78 S E E 24.13 12.43 26.74 39.76 125.27 -164.74 -120.56 138.74 2.54 97.46 0.00 2.17 0.08 0.00 0.00 0.00 0.00 97.73 0.01 79 L E E 4.52 25.57 18.54 44.73 122.45 -163.35 -117.24 132.32 0.62 99.38 0.00 0.56 0.02 0.00 0.00 0.00 0.00 99.42 0.00 80 K E E 86.86 8.79 26.88 36.21 117.32 -157.18 -108.61 125.53 0.24 99.76 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.75 0.01 81 M E E 10.63 24.43 15.30 39.99 117.72 -167.25 -111.87 126.20 7.76 92.24 0.00 8.02 0.05 0.00 0.00 0.00 0.00 91.15 0.77 82 T C C 65.48 6.57 22.88 29.73 125.70 -170.86 -111.31 152.19 86.50 13.45 0.04 43.21 39.18 2.25 0.00 0.07 0.00 15.07 0.22 83 S C S 64.08 4.83 24.47 29.48 97.89 9.77 57.73 56.65 96.34 3.64 0.03 13.65 79.75 2.73 0.00 0.03 0.00 3.63 0.21 84 V C C 11.01 25.16 11.34 36.36 114.81 -160.66 -82.73 133.06 94.90 5.09 0.01 94.54 1.06 0.02 0.00 0.00 0.00 3.32 1.06 85 T C C 54.52 5.43 25.41 30.71 134.63 164.01 -129.36 168.67 90.74 9.22 0.04 90.21 0.56 0.01 0.02 0.01 0.00 2.35 6.85 86 A H G 54.13 13.62 17.04 30.46 90.75 -97.33 -59.59 -32.31 5.93 0.07 94.00 0.42 0.58 4.21 0.93 93.80 0.00 0.05 0.00 87 A H G 64.62 6.08 22.23 29.23 90.04 62.98 -69.46 -18.70 5.13 0.09 94.78 0.29 0.46 3.74 0.76 94.68 0.00 0.07 0.00 88 D H G 11.19 22.19 17.97 40.30 94.53 59.48 -89.92 0.05 5.95 0.13 93.91 1.27 0.88 2.64 0.88 94.22 0.00 0.09 0.01 89 T C C 29.78 18.31 22.11 39.91 115.70 108.26 -77.69 138.21 88.79 9.71 1.50 82.46 5.66 0.80 0.41 0.99 0.00 8.92 0.76 90 G E E 8.62 16.24 25.01 41.21 143.81 100.30 146.86 -175.73 12.11 87.70 0.19 10.60 1.53 0.28 0.07 0.13 0.00 86.23 1.16 91 V E E 27.02 18.00 26.18 43.53 120.21 -69.98 -106.80 133.34 2.64 97.33 0.02 2.59 0.16 0.02 0.01 0.01 0.00 97.05 0.16 92 Y E E 5.98 25.43 23.16 48.40 121.19 -159.30 -108.39 134.26 1.23 98.75 0.02 1.16 0.09 0.02 0.00 0.01 0.00 98.65 0.07 93 Y E E 22.51 20.19 27.81 46.95 131.08 -171.97 -126.79 147.25 2.12 97.84 0.04 1.88 0.18 0.04 0.01 0.02 0.00 97.80 0.08 94 C E E 3.42 25.12 24.18 48.90 128.12 -165.83 -125.23 143.65 9.13 90.68 0.19 7.73 0.93 0.15 0.06 0.08 0.00 90.83 0.23 95 V E E 13.73 18.88 25.74 44.25 126.96 -164.60 -120.35 143.44 12.36 87.32 0.32 10.68 1.42 0.27 0.13 0.14 0.00 86.79 0.57 96 R E E 47.55 18.24 21.66 39.10 120.66 -149.26 -107.77 133.63 19.00 80.64 0.36 16.07 2.71 0.50 0.17 0.20 0.00 78.02 2.31 97 V E E 46.73 13.35 19.31 32.94 117.90 -157.13 -105.49 132.82 47.64 52.05 0.32 36.53 10.34 1.31 0.08 0.27 0.00 49.81 1.66 98 G C C 26.71 9.59 16.29 26.61 129.55 -124.53 -126.34 173.56 80.77 18.90 0.33 55.71 21.43 3.12 0.05 0.36 0.00 18.27 1.07 99 P C C 97.26 4.55 15.02 20.68 107.85 -71.98 -81.26 123.91 90.52 7.99 1.49 42.36 33.68 14.83 0.22 1.49 0.00 6.13 1.29 100 G C S 38.91 5.03 13.65 20.02 126.69 48.86 132.18 -172.20 90.81 4.11 5.09 34.20 37.78 19.02 1.07 4.09 0.00 2.20 1.64 101 P C T 100.49 3.61 12.77 17.67 99.98 -55.75 -72.35 -8.99 84.06 1.56 14.37 22.07 24.93 37.66 3.18 10.53 0.01 0.77 0.85 102 H C T 123.48 4.91 12.72 19.01 104.12 55.21 -88.31 24.30 76.50 4.18 19.32 23.78 20.58 33.55 5.34 12.63 0.03 2.28 1.80 103 M C C 98.11 8.97 13.11 22.74 102.76 123.60 -79.73 1.48 64.69 10.41 24.90 31.11 17.26 18.14 8.22 15.38 0.13 6.26 3.50 104 A C C 61.57 7.15 16.13 24.15 102.14 77.11 -79.36 -12.80 61.44 13.66 24.90 34.09 13.56 15.19 9.05 15.12 0.11 9.74 3.14 105 A C C 47.19 10.76 16.93 28.14 102.23 61.54 -91.08 0.57 56.11 19.15 24.74 32.44 12.62 13.04 9.03 14.76 0.17 14.60 3.34 106 L C C 48.05 16.82 16.33 32.43 117.45 60.53 -100.64 129.77 50.23 29.69 20.08 32.53 10.56 8.76 9.02 10.86 0.19 23.67 4.40 107 D C C 53.81 13.42 20.46 33.67 113.88 -155.16 -99.12 121.80 53.97 33.78 12.25 38.81 9.33 6.61 5.77 6.45 0.06 29.64 3.34 108 Y C E 82.50 15.35 20.50 34.88 112.39 -156.61 -97.84 116.16 48.87 41.44 9.69 32.00 9.48 8.34 4.90 5.16 0.09 34.57 5.46 109 W C C 64.33 18.21 18.98 35.86 106.80 -163.13 -97.33 42.78 59.66 33.89 6.45 34.32 12.06 14.45 2.97 3.54 0.09 26.20 6.36 110 G C C 22.73 14.47 19.85 33.44 118.96 -145.60 81.29 -165.89 79.73 17.56 2.71 39.19 23.64 17.83 0.67 2.03 0.01 14.31 2.33 111 H C S 113.09 8.48 21.93 30.34 101.15 -43.10 -86.26 5.83 81.46 16.03 2.50 31.05 32.44 19.06 0.47 1.99 0.01 12.63 2.34 112 G C C 19.07 16.85 18.12 33.65 123.53 -114.72 90.16 172.59 78.02 21.12 0.86 40.70 26.47 11.09 0.11 0.90 0.00 19.30 1.42 113 S E E 27.94 17.47 19.39 36.14 120.49 -97.05 -102.41 139.15 47.57 52.21 0.22 39.13 6.83 0.89 0.04 0.21 0.00 51.78 1.12 114 R E E 113.46 10.04 22.93 33.21 119.53 -141.07 -103.90 131.51 10.03 89.93 0.05 8.80 0.99 0.14 0.01 0.03 0.00 89.62 0.41 115 V E E 20.71 21.66 15.94 37.48 123.01 -168.35 -117.88 131.85 3.44 96.54 0.01 3.27 0.18 0.03 0.00 0.01 0.00 96.41 0.10 116 L E E 79.10 7.05 23.76 31.28 117.72 -154.59 -102.62 130.82 2.84 97.15 0.01 2.70 0.16 0.03 0.00 0.01 0.00 96.96 0.14 117 V E E 29.93 19.96 12.50 31.90 118.83 -158.87 -106.60 131.30 9.79 90.17 0.04 9.15 0.46 0.06 0.01 0.02 0.00 89.70 0.59 118 S E E 56.82 5.89 16.67 23.56 124.54 -167.07 -111.66 156.73 46.75 53.12 0.13 44.47 1.05 0.25 0.03 0.09 0.00 52.86 1.24 119 S C C 78.09 5.23 15.09 21.64 107.56 -101.14 -77.77 120.92 99.59 0.40 0.01 99.54 0.13 0.03 0.00 0.00 0.00 0.29 0.01