# 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 110.39 6.69 12.44 20.46 115.02 -160.42 -93.97 132.76 99.78 0.21 0.01 99.73 0.10 0.03 0.00 0.00 0.00 0.11 0.02 1 S C C 77.38 4.11 10.16 16.16 115.70 -151.64 -96.28 135.22 86.54 12.08 1.38 83.66 1.54 1.78 0.65 0.46 0.00 7.21 4.71 2 A C C 69.06 4.94 9.30 16.06 118.03 -146.10 -100.61 141.14 88.59 9.93 1.48 62.51 23.10 3.12 0.55 0.97 0.00 7.53 2.22 3 P C C 88.84 4.51 10.98 17.13 112.41 -109.96 -76.89 143.11 87.72 8.75 3.52 69.94 12.08 5.52 1.29 2.25 0.00 6.63 2.30 4 I C C 101.89 6.43 10.23 18.21 113.07 -134.62 -91.13 128.75 88.11 6.90 4.99 65.41 16.23 6.41 2.30 2.70 0.00 4.04 2.91 5 N C C 93.69 5.03 11.24 17.82 108.31 -132.10 -88.81 106.80 92.67 2.45 4.88 75.09 11.76 5.78 2.53 2.33 0.00 1.39 1.11 6 K C C 130.49 4.89 10.49 17.05 100.29 -168.64 -80.24 -8.48 73.15 1.82 25.04 34.63 14.79 24.42 11.96 12.37 0.01 0.91 0.91 7 E C C 136.79 2.06 11.69 14.60 99.22 71.66 -77.62 -22.06 70.83 1.88 27.28 28.54 16.61 26.42 13.71 12.80 0.02 0.95 0.96 8 K C C 120.15 4.31 10.90 16.63 102.26 60.38 -83.53 -0.57 68.52 2.69 28.79 42.23 16.20 10.30 17.03 11.65 0.01 1.36 1.21 9 V C C 77.06 7.32 9.69 18.28 103.88 68.22 -83.70 10.42 67.03 2.86 30.11 47.79 12.22 6.97 24.34 6.06 0.01 1.55 1.07 10 E C C 119.85 3.93 11.74 17.06 103.56 64.98 -80.56 12.31 66.06 3.10 30.84 47.47 9.43 8.66 25.12 6.38 0.01 1.80 1.13 11 Q C C 117.15 3.54 11.23 16.12 103.68 65.99 -82.40 -4.83 61.95 2.59 35.47 40.75 11.64 9.79 28.15 7.28 0.02 1.39 0.99 12 E C C 114.88 4.65 11.03 17.22 107.01 73.02 -85.31 71.10 60.70 1.92 37.39 40.20 11.63 9.04 29.24 8.13 0.01 1.01 0.74 13 A C C 64.96 5.74 10.96 18.21 105.54 -118.89 -77.62 60.48 55.22 2.16 42.62 34.70 9.37 10.87 27.90 15.11 0.01 1.24 0.79 14 E C C 125.54 4.28 12.34 18.11 104.48 59.54 -81.85 20.58 53.19 3.05 43.76 29.87 10.60 12.68 24.14 19.85 0.04 1.81 1.01 15 Q C C 102.31 6.60 13.16 21.01 110.48 81.21 -90.74 111.97 57.78 5.21 37.01 33.20 11.46 13.42 18.80 18.24 0.04 3.52 1.31 16 Q C C 91.71 8.25 14.81 24.04 113.37 -155.89 -91.01 124.95 64.61 13.00 22.39 42.34 11.25 11.88 9.29 12.34 0.02 11.11 1.75 17 I C C 64.36 12.21 14.95 27.88 118.83 -159.11 -106.01 131.44 56.39 41.36 2.25 46.63 7.30 1.79 1.04 1.08 0.00 40.65 1.51 18 H E E 54.19 13.72 17.08 31.40 121.97 -164.50 -111.70 135.92 23.65 75.78 0.57 20.79 2.28 0.48 0.24 0.26 0.00 75.09 0.85 19 K E E 83.54 11.23 20.58 32.10 123.53 -160.17 -117.46 135.26 10.10 89.79 0.11 9.19 0.74 0.09 0.04 0.04 0.00 89.57 0.32 20 I E E 17.76 20.83 16.86 37.94 123.02 -166.84 -119.49 131.92 3.93 96.05 0.02 3.83 0.12 0.01 0.01 0.01 0.00 95.93 0.10 21 R E E 92.12 9.46 24.11 34.03 117.55 -158.36 -110.30 125.95 2.46 97.53 0.01 2.36 0.07 0.01 0.00 0.00 0.00 97.52 0.04 22 I E E 8.87 23.74 17.28 41.49 120.06 -166.44 -114.47 128.42 1.42 98.57 0.01 1.45 0.03 0.00 0.00 0.00 0.00 98.50 0.02 23 T E E 43.90 9.66 26.25 36.65 118.19 -162.76 -111.47 126.41 0.91 99.08 0.00 0.90 0.02 0.00 0.00 0.00 0.00 99.05 0.02 24 L E E 5.43 25.27 17.68 43.52 122.28 -169.09 -114.98 134.71 1.44 98.56 0.00 1.47 0.02 0.00 0.00 0.00 0.00 98.47 0.04 25 T E E 48.77 9.86 26.21 36.48 127.06 -171.51 -123.31 142.47 4.64 95.35 0.01 4.48 0.16 0.01 0.00 0.00 0.00 95.14 0.20 26 S E E 10.26 20.44 15.14 35.73 138.65 164.50 -148.76 158.54 28.10 71.85 0.05 27.36 0.90 0.07 0.02 0.03 0.00 70.05 1.58 27 T C S 84.95 5.95 20.83 27.60 95.94 -143.02 -89.04 -11.70 99.20 0.76 0.03 2.92 95.80 0.72 0.00 0.01 0.00 0.48 0.06 28 K C C 92.88 6.65 19.58 27.25 109.95 75.86 -101.53 105.94 98.84 0.99 0.17 63.32 35.03 0.66 0.09 0.06 0.00 0.37 0.46 29 V H H 55.09 15.55 13.74 29.38 93.66 -167.02 -62.95 -37.58 3.41 0.01 96.57 0.84 0.56 1.82 95.27 1.50 0.00 0.00 0.01 30 K H H 139.88 1.65 21.47 22.15 91.67 54.40 -63.78 -40.45 2.10 0.01 97.89 0.23 0.21 1.57 96.05 1.94 0.00 0.00 0.00 31 Q H H 62.88 8.36 19.61 28.95 92.03 48.36 -66.19 -39.76 1.21 0.01 98.78 0.25 0.10 0.77 96.65 2.22 0.00 0.00 0.00 32 L H H 4.75 24.77 14.20 39.17 91.42 51.92 -63.54 -42.80 0.31 0.00 99.69 0.07 0.02 0.15 99.55 0.21 0.00 0.00 0.00 33 E H H 84.06 10.66 22.12 32.61 91.36 51.69 -63.04 -41.38 0.12 0.00 99.87 0.02 0.01 0.06 99.89 0.03 0.00 0.00 0.00 34 N H H 92.34 2.42 26.13 27.39 91.67 49.87 -64.60 -41.59 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 35 V H H 13.57 18.15 21.61 39.76 91.52 48.86 -64.12 -43.48 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 36 S H H 4.76 23.64 20.03 43.35 91.46 50.82 -63.62 -42.63 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 37 A H H 46.13 5.70 24.78 30.84 91.18 51.55 -63.47 -41.87 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 38 N H H 62.13 6.84 24.83 32.10 91.66 50.09 -64.93 -41.54 0.09 0.00 99.91 0.00 0.00 0.07 99.92 0.01 0.00 0.00 0.00 39 I H H 4.61 24.51 19.85 44.19 91.57 49.71 -63.96 -43.76 0.10 0.00 99.89 0.01 0.00 0.08 99.90 0.01 0.00 0.00 0.00 40 I H H 38.30 16.49 21.31 37.15 91.64 50.01 -63.02 -42.73 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 41 R H H 137.85 1.97 25.30 25.69 91.67 49.65 -63.93 -41.77 0.32 0.00 99.68 0.02 0.01 0.22 99.70 0.05 0.00 0.00 0.00 42 N H H 35.21 10.18 19.89 31.44 92.11 49.04 -65.30 -40.93 1.08 0.00 98.91 0.06 0.05 0.82 98.93 0.13 0.00 0.00 0.00 43 A H H 5.36 21.30 12.87 34.50 91.62 51.65 -63.92 -41.24 1.81 0.01 98.18 0.24 0.14 1.24 97.83 0.55 0.00 0.00 0.00 44 A H H 67.04 5.02 17.33 23.48 91.98 52.11 -64.26 -38.95 3.18 0.01 96.80 0.25 0.16 2.59 95.46 1.52 0.01 0.01 0.00 45 Q H H 133.25 1.51 17.51 18.47 91.03 53.79 -66.58 -29.08 10.80 0.02 89.18 0.32 0.38 10.30 87.81 1.15 0.02 0.01 0.01 46 Y C T 93.93 9.79 12.75 23.83 97.11 43.77 -98.77 8.34 78.58 0.07 21.35 0.71 2.60 74.54 20.70 1.35 0.00 0.02 0.08 47 N C T 135.30 1.09 18.99 18.89 94.00 -117.33 58.98 40.84 99.83 0.02 0.16 2.88 1.70 95.32 0.05 0.03 0.00 0.01 0.00 48 I C C 24.00 20.47 8.96 28.53 119.13 154.60 -97.46 136.76 97.71 2.27 0.02 96.68 1.15 0.06 0.00 0.01 0.00 1.96 0.13 49 V E E 91.49 3.63 23.37 26.73 112.34 -131.25 -87.41 127.98 47.76 52.20 0.04 47.30 0.72 0.06 0.01 0.02 0.00 51.09 0.79 50 K E E 59.55 20.68 11.31 30.45 120.77 -163.04 -106.94 133.09 9.62 90.34 0.03 9.75 0.24 0.02 0.02 0.01 0.00 86.17 3.78 51 K E E 123.71 4.65 19.21 24.69 107.30 -171.09 -102.94 25.60 21.82 78.14 0.04 18.37 2.88 0.18 0.01 0.03 0.00 77.68 0.85 52 G E E 28.96 5.35 20.20 26.33 133.63 -63.38 113.44 -175.41 43.48 56.50 0.02 17.13 25.79 0.41 0.00 0.02 0.00 56.38 0.27 53 P C E 59.46 14.02 15.48 29.45 115.17 -48.24 -70.57 143.27 51.12 48.85 0.02 45.43 3.85 0.11 0.00 0.02 0.00 50.08 0.50 54 V E E 40.26 14.21 16.76 31.80 122.84 -164.22 -119.77 133.50 14.54 85.44 0.02 13.61 0.64 0.03 0.01 0.01 0.00 78.65 7.04 55 R E E 137.45 6.63 20.79 28.63 115.35 -126.29 -83.79 132.81 29.02 70.97 0.01 28.97 0.61 0.03 0.01 0.01 0.00 65.92 4.46 56 M C C 33.54 20.71 12.16 32.04 119.16 -136.32 -86.44 144.05 88.34 11.65 0.01 87.38 1.59 0.03 0.00 0.01 0.00 10.60 0.40 57 P C C 56.05 7.94 18.53 27.45 115.30 -101.39 -66.45 151.54 91.85 8.09 0.05 88.66 3.18 0.18 0.01 0.04 0.00 7.35 0.58 58 T C C 79.94 9.53 15.21 25.47 103.07 -131.11 -84.82 0.21 73.60 26.31 0.10 49.06 23.79 0.56 0.01 0.10 0.00 25.57 0.89 59 K E E 100.59 7.31 16.55 25.03 124.07 61.40 -111.58 141.71 16.05 83.89 0.06 12.97 2.68 0.18 0.01 0.05 0.00 83.75 0.36 60 V E E 69.40 10.46 15.13 26.55 120.81 -156.09 -112.45 131.77 2.19 97.79 0.01 2.06 0.10 0.01 0.00 0.01 0.00 97.74 0.07 61 L E E 51.62 12.54 14.48 28.11 119.02 -159.47 -107.40 134.20 0.73 99.27 0.00 0.67 0.03 0.00 0.00 0.00 0.00 99.28 0.02 62 K E E 112.08 6.43 18.22 25.97 119.72 -159.01 -111.06 130.79 0.58 99.42 0.00 0.50 0.02 0.00 0.00 0.00 0.00 99.46 0.01 63 I E E 43.73 14.85 13.56 29.12 121.43 -165.50 -115.96 133.09 1.26 98.74 0.01 1.16 0.04 0.00 0.00 0.00 0.00 98.77 0.02 64 T E E 56.44 7.18 18.40 26.85 124.50 -166.79 -116.88 142.09 4.12 95.86 0.02 3.72 0.21 0.03 0.00 0.01 0.00 95.96 0.06 65 T E E 47.12 13.70 13.53 27.71 123.81 -159.04 -113.81 141.16 6.94 93.02 0.05 6.11 0.69 0.09 0.01 0.02 0.00 92.76 0.31 66 R E E 117.79 6.90 15.58 23.80 119.92 -143.22 -100.82 140.75 14.94 84.98 0.08 13.17 1.75 0.20 0.02 0.05 0.00 83.79 1.01 67 K C E 123.17 5.69 14.32 21.56 115.47 -122.85 -86.19 138.39 52.05 47.82 0.13 44.93 6.07 0.41 0.04 0.11 0.00 45.81 2.61 68 T C C 44.62 9.72 10.02 21.28 116.77 -114.84 -82.34 144.82 92.48 7.34 0.18 85.41 6.37 0.68 0.05 0.14 0.00 6.16 1.19 69 P C T 104.49 2.60 12.53 16.39 92.87 -127.09 -65.50 -21.32 96.35 1.05 2.61 7.05 27.79 61.33 0.21 2.58 0.00 0.71 0.33 70 N C T 103.50 3.44 10.64 15.31 97.85 52.95 -89.60 -2.59 94.65 1.60 3.74 6.35 28.74 59.47 0.38 3.44 0.00 0.91 0.70 71 G C S 42.70 4.25 10.38 16.27 110.45 -105.02 80.29 3.39 86.78 3.48 9.74 23.15 43.95 19.43 1.18 8.59 0.00 1.64 2.06 72 E C T 145.80 1.87 10.53 13.62 105.23 48.54 -78.49 83.15 85.86 1.82 12.32 9.83 18.08 57.24 1.31 11.55 0.01 1.08 0.90 73 G C T 60.03 1.51 11.82 13.69 98.73 8.16 81.31 0.32 86.10 1.92 11.98 13.16 19.30 53.12 1.31 11.12 0.00 1.13 0.85 74 S C C 56.49 5.42 9.09 16.45 116.94 124.35 -87.76 143.82 86.66 5.36 7.98 50.63 25.54 10.55 1.27 7.07 0.00 3.19 1.76 75 K C C 149.56 2.84 12.80 17.10 104.86 -129.90 -85.49 43.26 80.64 16.57 2.80 56.90 16.92 6.71 0.48 2.55 0.00 14.63 1.81 76 T C E 65.86 6.42 12.08 20.27 123.36 135.76 -107.26 145.81 51.22 48.36 0.42 43.95 5.59 0.87 0.09 0.35 0.00 47.68 1.47 77 W E E 119.73 10.09 12.12 23.26 122.46 -145.00 -107.24 141.91 15.10 84.86 0.05 13.70 0.96 0.11 0.01 0.03 0.00 84.53 0.66 78 D E E 64.35 8.27 15.50 25.16 121.59 -157.88 -112.29 140.98 4.57 95.42 0.01 4.13 0.20 0.02 0.00 0.00 0.00 95.55 0.10 79 A E E 53.60 9.57 15.23 25.93 120.96 -140.10 -104.22 139.16 3.04 96.96 0.00 2.80 0.10 0.00 0.00 0.00 0.00 97.05 0.05 80 Y E E 54.29 13.37 14.18 28.73 126.70 -169.69 -123.14 145.39 3.12 96.88 0.00 2.93 0.06 0.00 0.00 0.00 0.00 96.95 0.05 81 E E E 95.27 7.46 18.42 26.98 121.78 -146.37 -109.68 136.17 2.10 97.90 0.00 1.94 0.04 0.00 0.00 0.00 0.00 97.99 0.03 82 M E E 42.61 16.38 14.62 31.10 128.62 -171.47 -125.46 145.14 2.32 97.68 0.00 2.15 0.05 0.00 0.00 0.00 0.00 97.77 0.03 83 R E E 95.68 8.94 19.75 29.52 117.42 -140.95 -103.31 129.82 1.42 98.58 0.00 1.31 0.03 0.00 0.00 0.00 0.00 98.63 0.03 84 I E E 38.45 15.41 17.13 33.14 119.55 -162.04 -110.87 129.00 3.09 96.90 0.00 2.79 0.16 0.01 0.00 0.00 0.00 96.97 0.06 85 H E E 43.55 13.43 18.66 33.03 122.05 -165.99 -113.45 135.56 5.12 94.87 0.01 4.50 0.40 0.03 0.00 0.01 0.00 94.97 0.10 86 K E E 79.71 12.55 20.48 32.91 124.99 -165.63 -119.25 138.29 8.03 91.97 0.01 7.25 0.45 0.02 0.00 0.00 0.00 92.18 0.09 87 R E E 44.62 17.34 18.22 35.37 124.13 -159.55 -116.65 137.27 4.46 95.54 0.00 4.23 0.13 0.00 0.00 0.00 0.00 95.56 0.07 88 V E E 38.77 11.84 22.74 35.42 119.48 -158.68 -113.63 128.47 0.96 99.04 0.00 0.89 0.03 0.00 0.00 0.00 0.00 99.06 0.02 89 I E E 10.08 22.60 18.33 41.20 120.15 -165.65 -114.07 127.33 0.29 99.71 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.72 0.01 90 D E E 50.00 9.60 25.85 35.97 115.21 -157.19 -103.28 123.09 0.64 99.36 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.40 0.01 91 L E E 9.49 23.92 15.99 40.09 119.33 -168.00 -111.42 129.30 7.28 92.60 0.12 6.79 0.39 0.09 0.05 0.05 0.00 92.35 0.28 92 Q E E 88.10 7.31 24.31 31.89 111.49 -160.85 -101.13 111.03 38.04 61.80 0.15 25.03 13.23 0.92 0.03 0.12 0.00 59.74 0.92 93 A C S 24.19 16.08 15.56 31.70 132.67 121.75 -128.69 156.29 81.78 18.05 0.17 32.25 48.68 0.96 0.05 0.10 0.00 17.32 0.63 94 P C C 57.63 6.79 19.42 27.13 112.94 -81.56 -65.74 145.35 93.77 3.86 2.37 86.35 5.60 2.07 1.58 0.64 0.00 3.18 0.57 95 A H H 58.99 9.93 13.84 24.68 93.12 -117.46 -60.31 -34.93 31.80 0.37 67.83 14.57 7.97 10.34 63.39 3.36 0.02 0.15 0.19 96 S H H 71.73 2.32 19.64 21.43 92.37 59.78 -65.26 -33.71 20.00 0.23 79.76 6.51 3.90 9.97 76.17 3.19 0.05 0.11 0.11 97 T H H 24.27 14.09 16.05 30.85 93.14 51.46 -67.05 -40.38 9.94 0.33 89.73 4.70 1.56 4.26 85.71 3.44 0.02 0.23 0.08 98 V H H 19.26 19.89 14.29 33.72 92.16 53.53 -63.12 -41.97 2.77 0.15 97.08 1.25 0.43 1.24 95.00 1.93 0.01 0.12 0.02 99 K H H 119.43 3.82 20.44 24.72 91.70 52.08 -63.86 -38.94 2.59 0.18 97.23 0.85 0.34 1.49 94.07 3.03 0.01 0.19 0.02 100 R H H 119.04 5.40 20.01 26.00 92.19 51.97 -66.42 -37.88 3.68 0.17 96.14 0.87 0.42 2.37 92.42 3.70 0.02 0.17 0.02 101 I H H 15.40 22.17 14.62 36.22 93.76 49.06 -72.04 -31.28 5.90 0.28 93.82 1.29 0.72 3.84 90.09 3.75 0.04 0.23 0.05 102 T H H 50.80 14.58 16.58 30.71 93.80 62.41 -74.01 -17.73 28.54 1.00 70.47 4.11 2.98 21.04 66.95 3.81 0.16 0.62 0.33 103 Q C T 127.89 2.31 20.72 22.62 96.53 56.68 -88.66 -4.30 63.49 1.99 34.52 10.26 5.38 45.65 31.58 5.14 0.07 1.33 0.59 104 I C C 43.93 17.54 10.67 27.77 117.60 109.08 -83.29 136.62 90.40 7.83 1.78 63.49 25.15 2.28 1.31 0.60 0.00 5.52 1.64 105 T C C 95.88 3.09 21.53 25.12 113.82 -143.02 -100.96 123.18 82.46 16.93 0.61 80.00 1.89 0.76 0.32 0.23 0.00 14.08 2.72 106 I C C 33.59 21.56 10.80 31.15 120.79 -167.29 -113.54 131.40 62.99 36.88 0.14 61.69 2.23 0.09 0.11 0.04 0.00 14.39 21.45 107 E C C 101.63 5.13 20.23 25.79 118.46 -128.46 -78.42 148.77 99.24 0.74 0.02 98.76 0.66 0.05 0.00 0.00 0.00 0.41 0.11 108 P C T 84.48 7.16 16.27 24.68 111.19 -85.02 -60.80 139.44 99.09 0.54 0.36 0.88 3.64 94.74 0.03 0.25 0.00 0.37 0.09 109 G C T 40.01 5.80 18.91 25.85 96.87 24.07 87.35 -5.27 98.57 1.11 0.33 1.44 3.77 93.47 0.02 0.27 0.00 0.96 0.06 110 V C C 23.21 19.26 12.61 31.98 119.52 118.48 -97.99 135.03 55.61 44.30 0.08 49.96 4.55 0.29 0.01 0.08 0.00 44.21 0.90 111 D E E 80.53 6.01 23.13 29.77 118.56 -154.27 -107.22 131.04 13.49 86.47 0.04 12.95 0.39 0.06 0.01 0.02 0.00 86.28 0.28 112 V E E 22.75 22.61 13.20 35.27 126.74 -172.03 -126.91 137.59 7.02 92.97 0.01 6.83 0.12 0.01 0.00 0.00 0.00 92.98 0.07 113 E E E 98.86 5.29 24.73 30.46 121.13 -164.50 -116.12 131.91 3.43 96.56 0.00 3.39 0.06 0.00 0.00 0.00 0.00 96.51 0.03 114 V E E 22.90 22.71 13.07 35.31 123.99 -168.09 -120.16 134.58 3.77 96.22 0.00 3.86 0.04 0.00 0.00 0.00 0.00 96.05 0.04 115 T E E 64.61 5.57 23.55 29.44 123.08 -166.70 -117.63 136.83 3.64 96.35 0.01 3.61 0.06 0.01 0.00 0.00 0.00 96.24 0.08 116 I E E 55.64 16.91 12.38 28.96 118.23 -148.99 -102.04 129.56 10.88 89.08 0.03 10.54 0.33 0.04 0.01 0.01 0.00 88.59 0.48 117 A E E 53.73 6.72 14.01 22.34 120.10 -157.69 -101.16 146.23 49.79 50.10 0.11 48.91 0.51 0.14 0.03 0.06 0.00 49.57 0.77 118 A C C 76.85 4.41 14.76 20.54 112.79 -104.24 -76.92 138.87 99.66 0.34 0.00 99.62 0.09 0.02 0.00 0.00 0.00 0.25 0.01