# 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 D C C 97.88 4.47 19.37 24.44 110.84 -146.00 -89.04 108.90 99.79 0.21 0.00 99.73 0.10 0.02 0.00 0.00 0.00 0.15 0.00 1 I C C 48.81 17.83 11.45 28.48 118.06 -158.68 -103.76 128.25 50.82 49.05 0.13 50.25 0.54 0.16 0.04 0.06 0.00 47.83 1.12 2 V E E 76.23 6.33 19.34 26.78 119.65 -166.16 -114.66 131.04 22.14 77.69 0.17 20.59 1.10 0.20 0.08 0.09 0.00 76.44 1.50 3 L E E 46.74 18.35 13.30 31.07 119.68 -157.73 -106.15 131.39 23.11 76.72 0.17 21.32 1.26 0.21 0.06 0.09 0.00 76.03 1.01 4 T E E 71.03 7.31 19.88 28.07 118.96 -170.97 -118.19 135.04 35.29 64.50 0.21 30.62 3.34 0.52 0.05 0.16 0.00 64.19 1.11 5 Q C C 68.67 13.74 14.98 28.75 129.30 45.41 -127.97 146.18 55.63 44.10 0.27 42.41 12.15 1.17 0.07 0.27 0.00 41.85 2.09 6 S C C 56.38 8.29 17.90 26.93 119.90 -132.62 -97.00 143.52 84.40 15.38 0.22 66.87 15.78 1.31 0.04 0.22 0.00 14.61 1.17 7 P C T 57.91 11.62 15.56 27.35 111.71 -60.59 -70.46 153.15 85.71 5.99 8.29 15.08 30.83 40.31 0.62 7.54 0.00 4.90 0.71 8 D C T 91.71 7.80 18.06 26.32 98.37 -135.78 -87.55 -6.47 78.97 12.29 8.73 12.46 29.60 38.20 0.73 7.27 0.01 10.70 1.02 9 S E E 49.21 9.70 19.58 29.73 131.69 25.36 -136.09 149.07 40.09 53.72 6.19 26.49 9.22 6.78 0.68 5.13 0.01 50.77 0.94 10 L E E 28.33 20.05 16.19 35.54 128.37 -170.29 -130.36 139.56 9.01 90.86 0.13 7.76 1.02 0.14 0.05 0.06 0.00 90.58 0.39 11 A E E 54.70 10.13 23.72 33.98 122.71 -154.29 -112.87 135.99 2.57 97.38 0.05 2.29 0.18 0.03 0.02 0.01 0.00 97.32 0.15 12 A E E 12.05 19.81 15.84 35.63 136.88 173.11 -142.73 157.73 5.83 94.12 0.06 5.37 0.33 0.04 0.02 0.02 0.00 93.93 0.28 13 S E E 49.51 6.22 23.62 29.85 120.83 -113.43 -82.98 156.26 30.42 69.36 0.22 27.39 2.25 0.43 0.09 0.15 0.00 66.83 2.87 14 L C T 67.58 15.24 14.43 29.46 109.14 -83.17 -59.77 134.01 98.18 1.21 0.61 0.52 3.81 94.30 0.04 0.42 0.00 0.78 0.13 15 G C T 46.80 4.21 19.79 24.75 96.05 22.10 88.76 -6.47 99.21 0.39 0.40 0.63 4.56 94.14 0.02 0.32 0.00 0.27 0.05 16 E C C 83.06 8.33 17.97 27.37 123.53 116.34 -87.81 152.79 94.53 5.15 0.33 56.65 37.58 0.86 0.06 0.26 0.00 3.79 0.79 17 R C C 127.67 8.84 19.00 29.06 124.98 -126.82 -112.29 142.71 76.52 23.42 0.06 76.07 0.88 0.09 0.01 0.04 0.00 22.00 0.91 18 A E E 9.95 21.81 15.21 36.84 130.52 -171.24 -129.87 148.51 3.59 96.39 0.02 3.49 0.12 0.01 0.00 0.01 0.00 96.09 0.28 19 T E E 66.35 8.23 24.92 33.77 120.97 -149.82 -114.48 132.34 1.10 98.89 0.00 1.04 0.04 0.00 0.00 0.00 0.00 98.87 0.04 20 I E E 6.09 25.28 16.37 42.30 120.43 -167.14 -116.91 126.50 5.11 94.88 0.01 4.79 0.24 0.02 0.00 0.00 0.00 94.80 0.15 21 S E E 49.07 7.73 26.52 34.66 116.50 -157.11 -103.22 128.14 25.51 74.41 0.07 23.23 1.40 0.14 0.02 0.04 0.00 74.84 0.33 22 C E E 7.35 25.02 14.80 39.69 123.50 -172.10 -118.39 136.68 45.68 53.92 0.40 42.44 2.17 0.38 0.14 0.25 0.00 52.94 1.67 23 K E E 108.20 6.18 24.95 31.55 115.82 -160.67 -101.21 131.96 44.84 53.73 1.43 36.36 5.96 1.44 0.70 0.91 0.01 45.67 8.97 24 S C C 28.25 18.76 14.07 31.86 118.90 -147.01 -102.17 143.49 63.81 27.63 8.56 47.58 10.94 5.49 3.19 5.44 0.03 23.37 3.96 25 S C C 60.14 7.49 18.50 26.49 107.60 -142.34 -87.44 74.12 71.69 11.66 16.64 29.51 26.77 17.22 5.97 9.60 0.08 8.56 2.29 26 H C S 113.23 7.93 16.42 24.94 103.34 -43.74 -86.32 12.49 68.84 8.78 22.37 21.24 27.87 21.55 9.55 11.31 0.18 5.80 2.50 27 S C C 54.08 10.35 16.16 26.89 109.61 93.02 -89.03 104.90 67.15 12.19 20.67 46.86 11.72 8.94 8.65 11.83 0.03 9.44 2.52 28 V C C 63.00 12.36 16.77 29.15 108.39 67.87 -94.57 81.88 57.93 22.88 19.19 31.76 16.38 11.95 9.36 9.13 0.47 16.39 4.56 29 L C C 60.32 13.71 16.81 30.41 110.71 121.31 -97.25 108.19 53.99 30.97 15.05 31.28 13.40 11.31 7.56 7.29 0.46 23.19 5.52 30 Y C C 91.50 12.73 14.88 27.87 118.48 -161.01 -106.63 131.97 65.30 27.68 7.02 44.40 14.33 6.51 3.73 3.63 0.10 20.53 6.76 31 S C C 46.96 8.37 14.65 24.29 123.75 -163.42 -110.01 150.45 83.44 13.25 3.31 63.10 12.78 7.08 1.32 2.07 0.00 10.13 3.51 32 S C T 78.57 5.05 13.54 20.06 96.50 -116.13 -70.46 -18.46 91.32 2.90 5.78 19.96 23.31 48.41 1.32 4.17 0.00 1.84 0.98 33 N C T 115.34 2.55 15.81 18.71 98.47 48.62 -90.03 2.65 93.15 1.50 5.35 15.28 25.99 51.99 0.94 4.31 0.00 0.91 0.58 34 N C S 61.90 12.28 13.48 26.07 112.62 79.02 -100.41 107.26 87.12 7.46 5.42 32.67 37.32 17.72 0.90 4.47 0.01 4.47 2.43 35 K C C 96.60 9.50 19.31 29.06 111.35 -137.92 -95.30 111.87 81.20 15.99 2.81 53.89 18.26 8.89 0.55 2.42 0.00 13.65 2.33 36 D C C 28.52 18.62 18.62 36.61 117.74 -151.70 -102.75 133.73 60.27 38.20 1.53 45.37 10.87 3.48 0.29 1.24 0.00 37.40 1.34 37 F E E 30.54 16.75 24.74 41.37 131.97 -171.08 -130.40 150.68 16.57 83.29 0.13 14.38 1.81 0.22 0.03 0.09 0.00 82.91 0.56 38 F E E 5.32 25.49 22.41 48.01 125.57 -157.12 -121.65 138.52 2.19 97.81 0.01 1.92 0.15 0.01 0.00 0.00 0.00 97.85 0.07 39 A E E 9.51 19.46 27.07 45.96 131.02 -170.84 -127.66 146.18 0.50 99.50 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.53 0.01 40 W E E 10.24 23.76 22.96 46.39 127.11 -158.45 -120.99 141.62 0.43 99.57 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 41 Y E E 24.75 17.48 23.86 41.22 131.48 -172.13 -131.39 148.23 0.60 99.40 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.44 0.02 42 Q E E 40.05 14.82 21.66 36.66 120.89 -145.98 -110.23 135.10 2.41 97.58 0.00 2.03 0.17 0.01 0.00 0.00 0.00 97.70 0.08 43 Q E E 48.82 14.68 15.91 30.97 120.09 -155.59 -107.90 137.68 29.37 70.62 0.01 26.98 1.46 0.05 0.00 0.01 0.00 70.29 1.20 44 K C C 98.04 6.33 16.20 23.72 118.86 -136.11 -88.94 145.75 98.11 1.86 0.02 96.30 1.94 0.13 0.01 0.01 0.00 1.32 0.29 45 P C T 98.63 4.87 11.57 18.41 109.88 -88.06 -59.51 134.75 99.78 0.08 0.14 0.31 3.44 96.06 0.00 0.12 0.00 0.05 0.01 46 G C T 68.46 0.33 13.55 11.32 94.63 19.33 83.15 -3.53 99.82 0.05 0.12 0.41 3.44 95.97 0.00 0.13 0.00 0.04 0.01 47 Q C S 84.54 6.16 9.98 18.25 127.24 101.30 -109.37 152.87 97.35 2.57 0.07 27.31 70.25 0.26 0.01 0.04 0.00 0.82 1.29 48 P C C 96.86 2.04 17.80 19.59 115.91 -96.24 -65.27 149.75 98.92 1.07 0.01 93.13 5.80 0.11 0.00 0.01 0.00 0.80 0.15 49 P C C 44.15 18.57 11.07 28.74 115.55 -102.67 -64.85 145.84 93.95 6.04 0.01 92.77 1.24 0.08 0.00 0.01 0.00 5.71 0.18 50 K E E 93.31 7.96 21.82 30.45 123.83 -156.43 -119.97 138.47 9.34 90.64 0.02 8.18 0.91 0.05 0.00 0.01 0.00 90.29 0.55 51 L E E 59.86 15.99 18.56 34.15 110.44 -114.90 -74.43 127.48 0.57 99.43 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.44 0.01 52 L E E 22.46 17.98 20.85 38.96 101.47 174.67 -97.20 -35.53 1.64 98.35 0.00 1.07 0.45 0.01 0.00 0.00 0.00 98.46 0.01 53 I E E 13.29 20.22 21.94 42.11 137.77 4.49 -151.32 146.25 0.23 99.77 0.00 0.19 0.02 0.00 0.00 0.00 0.00 99.79 0.00 54 S E E 22.47 18.86 22.63 40.42 130.18 -172.38 -133.32 141.84 0.56 99.44 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.48 0.01 55 W E E 40.14 18.36 23.39 41.02 129.16 -172.27 -130.89 141.62 7.01 92.90 0.09 5.99 0.64 0.08 0.04 0.03 0.00 92.98 0.24 56 A E E 20.24 17.34 21.78 38.87 130.06 -172.11 -129.80 145.14 30.24 68.34 1.42 25.29 4.12 1.09 0.62 0.66 0.00 67.18 1.04 57 S C C 23.34 15.88 19.89 35.67 130.13 -165.85 -126.36 150.79 60.08 36.42 3.50 46.89 10.09 2.99 1.59 1.79 0.01 34.39 2.25 58 T C C 51.57 11.59 18.34 30.48 118.26 -150.31 -104.51 137.20 62.19 27.30 10.51 44.87 11.29 5.84 6.08 4.92 0.09 21.25 5.66 59 R C C 120.80 9.02 15.16 24.80 106.51 -146.03 -87.29 34.13 65.94 17.61 16.45 41.18 14.89 10.95 6.75 9.41 0.09 12.88 3.86 60 E C C 122.04 4.74 14.21 20.35 108.24 64.28 -87.16 111.15 66.10 14.86 19.04 29.78 17.46 21.24 5.03 12.50 0.14 9.65 4.20 61 S C T 72.58 5.53 12.83 19.75 105.12 -65.89 -83.67 73.47 83.78 3.17 13.05 16.99 17.91 49.16 2.43 10.26 0.01 2.02 1.23 62 G C T 57.15 2.53 15.21 18.61 99.07 -74.95 83.31 1.73 93.92 2.76 3.32 20.53 27.03 46.41 0.43 3.06 0.00 1.85 0.69 63 V C C 50.31 12.11 11.00 24.22 118.28 117.60 -100.24 132.27 80.81 18.53 0.66 53.53 26.87 1.66 0.24 0.47 0.00 8.74 8.49 64 P C C 71.16 6.37 18.20 25.47 111.66 -110.75 -67.30 143.57 85.31 13.16 1.53 59.10 19.37 6.26 0.33 1.40 0.00 11.62 1.92 65 V C C 55.47 16.50 14.75 30.45 111.06 -116.53 -80.57 122.39 78.62 19.53 1.85 53.91 17.20 7.10 0.32 1.68 0.00 18.30 1.48 66 R C E 102.68 9.44 21.48 31.23 125.81 72.43 -123.91 139.43 49.94 48.82 1.25 38.07 10.10 1.94 0.40 0.86 0.00 46.22 2.40 67 F E E 33.74 22.19 14.38 35.87 125.42 -161.55 -117.53 139.39 21.24 78.48 0.28 19.06 1.88 0.33 0.12 0.15 0.00 76.85 1.61 68 N E E 80.41 6.36 23.97 31.60 133.00 -175.94 -136.04 152.43 12.91 86.93 0.16 11.25 1.34 0.31 0.05 0.08 0.00 85.94 1.02 69 G E E 23.41 18.10 15.50 32.30 138.65 158.31 -156.90 168.05 17.69 82.15 0.17 14.74 2.67 0.59 0.04 0.11 0.00 81.08 0.78 70 G E E 37.47 6.48 21.02 28.95 136.57 164.33 -152.58 169.15 25.03 74.80 0.17 21.08 3.39 0.64 0.04 0.13 0.00 73.79 0.92 71 G E E 32.94 9.24 16.48 26.77 138.03 122.28 114.19 -168.66 38.00 61.74 0.26 25.47 12.45 1.98 0.04 0.27 0.00 58.05 1.74 72 S C E 76.53 3.64 20.79 24.96 114.84 -99.28 -115.13 116.32 57.58 41.61 0.81 34.69 19.05 6.21 0.14 0.87 0.00 34.72 4.32 73 G C S 31.30 11.56 18.53 29.79 107.98 -55.30 67.31 -125.14 97.70 1.49 0.81 3.18 53.76 40.97 0.03 0.81 0.00 1.05 0.21 74 T C S 55.83 14.47 16.76 30.92 98.34 -7.85 -99.94 -3.29 97.37 1.97 0.66 3.10 55.51 39.01 0.03 0.62 0.00 1.51 0.22 75 H E E 85.82 8.02 22.47 31.66 120.96 82.33 -110.79 131.48 40.90 58.83 0.26 27.06 13.32 1.67 0.05 0.29 0.00 54.04 3.57 76 F E E 8.71 24.65 15.60 40.56 128.13 -174.82 -126.91 143.27 22.72 77.27 0.01 21.37 0.74 0.06 0.00 0.01 0.00 77.14 0.68 77 T E E 40.73 9.82 27.08 37.78 122.90 -161.81 -118.80 134.32 9.40 90.60 0.00 8.63 0.27 0.01 0.00 0.00 0.00 90.94 0.14 78 L E E 3.44 26.08 18.27 45.23 119.83 -164.54 -113.61 128.33 0.80 99.20 0.00 0.88 0.01 0.00 0.00 0.00 0.00 99.10 0.02 79 T E E 45.91 9.40 27.05 37.13 120.82 -164.90 -114.94 129.54 0.22 99.78 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.01 80 I E E 8.68 23.99 15.65 40.11 117.93 -166.29 -114.32 123.10 2.83 97.17 0.00 2.93 0.03 0.00 0.00 0.00 0.00 96.54 0.50 81 S C C 52.31 6.21 22.74 29.13 123.79 -168.36 -109.37 155.91 92.40 7.50 0.09 47.95 36.36 6.68 0.00 0.15 0.00 8.59 0.26 82 S C S 70.07 3.73 23.77 27.41 95.25 11.99 58.25 56.15 99.02 0.94 0.04 8.35 83.87 6.80 0.00 0.06 0.00 0.84 0.08 83 L C C 18.85 23.80 10.38 33.56 113.35 -150.18 -73.62 134.51 99.30 0.69 0.01 98.24 1.20 0.02 0.00 0.00 0.00 0.30 0.23 84 Q C C 81.00 4.45 24.60 28.89 132.81 166.88 -129.44 160.95 97.38 2.59 0.03 97.15 0.45 0.01 0.01 0.01 0.00 0.38 2.00 85 A H G 50.16 14.41 15.34 29.61 91.23 -102.21 -59.19 -33.03 2.94 0.02 97.04 0.16 0.20 1.85 0.26 97.52 0.00 0.02 0.00 86 E H G 122.95 4.17 22.04 26.99 90.35 62.93 -71.33 -16.09 2.56 0.04 97.40 0.11 0.16 1.68 0.19 97.84 0.00 0.03 0.00 87 D H G 14.28 20.76 17.23 38.27 93.87 63.35 -86.47 -1.43 3.44 0.04 96.51 0.41 0.33 1.57 0.22 97.42 0.00 0.04 0.00 88 V C C 31.43 17.30 21.59 38.99 115.89 106.48 -81.52 134.30 87.74 12.07 0.20 84.18 3.56 0.10 0.02 0.16 0.00 11.68 0.29 89 A E E 9.53 19.83 23.26 42.07 142.40 156.07 -153.43 170.61 3.95 96.04 0.01 3.86 0.19 0.01 0.00 0.00 0.00 95.67 0.27 90 V E E 29.18 15.78 26.18 41.86 118.45 -107.13 -105.54 130.78 0.42 99.58 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.55 0.01 91 Y E E 6.41 25.38 21.25 46.73 122.33 -164.18 -112.90 135.28 0.28 99.72 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.73 0.00 92 Y E E 30.04 17.12 27.47 44.20 128.10 -171.97 -121.85 145.10 1.09 98.90 0.00 0.95 0.05 0.00 0.00 0.00 0.00 98.98 0.01 93 C E E 2.84 25.37 21.84 47.33 125.02 -162.70 -119.50 139.32 4.53 95.45 0.02 3.90 0.38 0.03 0.00 0.01 0.00 95.61 0.08 94 Q E E 30.24 15.44 26.08 41.41 130.09 -171.24 -127.81 143.17 3.57 96.40 0.03 3.16 0.25 0.03 0.01 0.01 0.00 96.43 0.11 95 Q E E 23.58 19.70 19.88 39.08 122.37 -154.29 -112.70 135.47 5.83 94.11 0.06 4.89 0.69 0.10 0.01 0.03 0.00 94.10 0.18 96 Y E E 71.33 11.71 19.58 32.06 117.47 -155.45 -107.24 127.91 15.45 84.42 0.13 12.72 2.14 0.38 0.03 0.09 0.00 83.97 0.67 97 F E E 78.72 11.73 14.02 26.45 115.49 -174.63 -110.83 124.19 46.27 53.33 0.41 33.35 11.06 2.79 0.07 0.38 0.00 51.08 1.27 98 S C S 76.60 3.48 15.16 19.44 112.51 -41.04 -105.57 45.63 90.45 8.92 0.63 21.60 48.29 20.24 0.05 0.68 0.00 8.44 0.68 99 S C S 75.66 3.08 14.21 18.47 120.25 -9.71 -108.89 141.54 95.27 4.15 0.58 21.15 56.91 17.20 0.05 0.63 0.00 3.53 0.53 100 P C C 80.83 4.91 15.75 21.74 115.45 -0.11 -73.79 148.66 79.63 19.93 0.44 48.87 24.56 5.01 0.06 0.45 0.00 20.29 0.76 101 I E E 55.80 16.28 12.56 28.60 115.32 -119.94 -85.02 133.50 47.59 52.23 0.18 42.24 3.17 0.60 0.03 0.14 0.00 53.16 0.66 102 T E E 58.27 9.43 20.66 30.70 124.34 -167.31 -118.84 137.94 12.41 87.49 0.10 11.20 0.86 0.15 0.04 0.05 0.00 85.56 2.13 103 F E E 58.82 18.29 15.86 33.33 118.84 -151.37 -104.81 130.96 17.43 82.39 0.18 14.99 1.91 0.41 0.07 0.11 0.00 79.92 2.59 104 G C C 22.58 11.70 18.22 30.29 122.40 -141.62 -82.63 -164.31 66.70 32.88 0.42 42.11 19.34 4.62 0.05 0.42 0.00 32.59 0.87 105 Q C C 122.35 4.39 21.91 26.62 101.02 -61.94 -75.90 0.72 74.33 25.02 0.65 37.02 28.69 8.37 0.06 0.71 0.00 24.25 0.90 106 G C C 15.68 17.39 17.32 33.70 126.08 -122.70 82.59 173.13 71.13 28.54 0.33 52.85 13.57 3.12 0.03 0.37 0.00 29.41 0.66 107 T E E 23.97 18.19 18.93 36.93 125.44 -102.70 -116.87 142.53 22.55 77.39 0.06 20.11 1.73 0.14 0.01 0.04 0.00 77.39 0.57 108 R E E 109.60 9.66 24.10 34.01 120.33 -145.25 -105.95 132.22 3.22 96.77 0.01 2.90 0.19 0.01 0.00 0.00 0.00 96.77 0.12 109 L E E 10.71 23.67 15.76 39.52 121.60 -165.82 -114.94 132.13 1.42 98.57 0.00 1.39 0.04 0.00 0.00 0.00 0.00 98.54 0.03 110 E E E 80.38 7.26 25.38 33.06 118.68 -160.48 -108.08 129.32 1.19 98.81 0.01 1.16 0.05 0.00 0.00 0.00 0.00 98.73 0.04 111 I E E 15.21 22.52 13.26 35.76 117.43 -157.49 -104.30 127.20 5.33 94.64 0.03 5.16 0.18 0.02 0.01 0.01 0.00 94.30 0.31 112 K E E 105.92 5.48 19.12 25.53 122.82 -164.00 -110.74 141.55 29.08 70.84 0.08 26.41 1.74 0.19 0.02 0.06 0.00 70.55 1.03 113 R C C 128.77 8.67 11.66 21.48 113.73 -118.53 -81.99 137.38 73.56 26.36 0.08 70.94 1.48 0.32 0.02 0.06 0.00 26.16 1.01 114 T C C 92.90 4.33 13.76 19.65 111.99 -129.12 -86.65 133.09 99.86 0.14 0.00 99.82 0.07 0.02 0.00 0.00 0.00 0.08 0.01