# 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 127.84 3.45 9.96 15.28 114.32 -165.74 -96.14 131.29 99.76 0.20 0.04 99.66 0.14 0.06 0.02 0.00 0.00 0.09 0.03 1 A C C 81.10 2.84 7.95 12.71 114.41 -148.42 -92.32 136.35 88.52 3.83 7.65 82.84 1.32 5.47 4.28 2.22 0.00 2.63 1.24 2 D C C 114.30 2.05 7.94 11.69 113.14 -144.92 -93.22 124.19 81.85 7.35 10.81 58.81 13.07 10.03 6.31 4.44 0.01 5.46 1.87 3 R C C 169.57 2.24 8.01 12.01 112.47 -155.25 -97.49 121.48 69.07 14.94 15.98 49.46 12.38 6.78 10.95 5.56 0.06 12.02 2.80 4 V C C 110.24 2.59 7.84 12.27 115.77 87.99 -99.78 128.94 61.60 22.93 15.47 45.46 10.03 5.42 11.67 4.48 0.10 19.09 3.75 5 L C C 120.48 2.96 7.98 12.80 113.49 -151.15 -96.63 123.87 61.36 25.33 13.31 46.72 8.89 4.81 10.29 3.76 0.08 21.08 4.38 6 R C C 171.05 2.12 8.84 12.76 113.65 -162.01 -95.79 130.90 63.85 20.48 15.67 38.94 10.95 14.02 10.92 4.90 0.14 16.59 3.54 7 G C C 55.96 2.42 9.43 13.31 111.23 9.64 -54.19 129.93 71.78 11.59 16.63 31.29 17.84 23.95 9.04 6.82 0.13 8.73 2.20 8 S C C 81.97 2.90 8.64 13.31 112.14 -109.48 -93.01 125.59 69.94 12.63 17.44 39.48 17.00 14.22 8.51 8.52 0.12 9.22 2.94 9 R C C 173.61 1.88 8.56 12.04 111.39 -155.73 -95.14 116.43 66.28 16.73 16.99 36.54 15.53 15.26 7.78 8.72 0.20 11.51 4.46 10 L C T 133.87 1.83 8.02 11.47 110.47 -131.01 -87.49 119.00 75.28 10.39 14.34 25.28 15.59 35.76 5.94 7.47 0.10 7.02 2.84 11 G C T 59.66 1.52 9.71 12.21 109.22 13.68 91.27 15.82 84.36 7.07 8.57 26.54 19.64 39.43 2.81 5.01 0.01 5.10 1.46 12 A C C 83.05 2.56 8.38 12.78 113.74 69.36 -91.73 132.19 80.71 11.56 7.73 49.02 20.60 11.25 3.09 4.62 0.02 8.07 3.32 13 V C C 109.02 2.90 8.79 13.56 116.70 -151.64 -103.11 134.20 78.55 16.01 5.44 54.83 17.63 5.71 2.70 2.97 0.02 11.87 4.27 14 S C C 78.87 3.22 9.12 14.21 115.72 -146.64 -95.87 137.13 78.82 15.12 6.07 59.68 12.69 6.06 2.60 3.59 0.01 12.07 3.30 15 Y C C 159.95 3.45 9.02 14.25 113.75 -155.45 -98.98 125.81 74.77 14.61 10.62 48.78 16.80 9.15 5.27 5.48 0.04 10.58 3.91 16 E C C 126.94 3.42 9.67 14.81 111.22 -149.83 -92.59 124.28 74.67 11.54 13.79 52.55 13.91 7.91 7.49 6.55 0.03 8.24 3.31 17 T C C 89.52 4.09 9.59 15.33 108.38 -162.34 -95.10 99.16 73.70 8.28 18.02 47.63 16.11 10.20 8.93 9.04 0.03 5.27 2.79 18 D C C 92.24 4.46 9.43 15.51 105.70 89.01 -89.21 48.81 77.46 5.56 16.98 53.71 12.15 11.51 7.33 9.63 0.01 3.31 2.35 19 R C T 156.08 3.41 9.68 14.77 100.20 98.75 -79.49 -10.37 80.32 3.29 16.39 26.71 16.67 37.92 5.51 9.87 0.02 1.72 1.57 20 N C T 120.99 2.16 11.20 14.36 100.32 53.45 -89.16 10.12 85.13 2.55 12.33 24.90 20.94 40.19 3.30 8.17 0.01 1.37 1.13 21 H C C 108.25 5.77 10.10 17.61 115.59 96.39 -102.66 129.59 85.12 6.68 8.19 43.50 30.24 11.90 2.24 5.54 0.01 3.39 3.17 22 D C C 95.78 5.07 12.42 19.16 109.89 -140.40 -88.33 109.09 87.04 9.23 3.74 66.36 13.18 7.03 1.12 2.76 0.00 5.82 3.73 23 L C C 102.18 6.12 13.07 20.59 99.43 -170.73 -81.94 -16.53 83.73 13.99 2.28 54.51 24.24 4.46 0.80 1.61 0.00 7.65 6.72 24 A C C 39.65 11.07 11.32 23.37 120.80 57.47 -101.40 143.92 90.50 9.13 0.38 56.13 33.70 1.20 0.10 0.30 0.00 6.74 1.82 25 P C C 74.73 4.59 17.99 23.15 114.51 -105.26 -67.48 149.16 92.38 7.38 0.24 80.33 10.73 1.18 0.04 0.24 0.00 6.97 0.51 26 R C C 108.93 12.84 12.34 25.23 121.84 -127.95 -104.72 142.82 56.43 43.42 0.15 47.82 6.76 0.52 0.03 0.13 0.00 44.00 0.74 27 Q E E 69.68 9.19 16.60 27.15 125.63 -162.83 -122.88 142.12 3.33 96.66 0.01 3.04 0.19 0.01 0.00 0.00 0.00 96.62 0.14 28 I E E 90.56 7.88 17.38 26.42 116.75 -132.48 -95.15 131.09 0.94 99.06 0.00 0.85 0.02 0.00 0.00 0.00 0.00 99.11 0.01 29 A E E 16.24 15.23 14.20 30.61 129.99 -175.92 -128.16 150.37 0.92 99.08 0.00 0.86 0.01 0.00 0.00 0.00 0.00 99.12 0.01 30 R E E 117.53 6.46 20.28 27.63 119.20 -135.97 -105.59 133.01 0.66 99.34 0.00 0.60 0.01 0.00 0.00 0.00 0.00 99.39 0.00 31 Y E E 29.29 17.23 13.72 31.51 135.10 173.84 -137.91 157.82 0.33 99.67 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.70 0.00 32 R E E 113.55 5.44 19.28 25.79 119.20 -131.03 -107.33 132.40 0.95 99.05 0.00 0.87 0.04 0.00 0.00 0.00 0.00 98.89 0.19 33 T C C 19.24 15.24 10.05 25.98 124.16 -145.03 -88.12 169.68 90.20 9.77 0.03 90.38 0.46 0.06 0.00 0.01 0.00 8.57 0.50 34 D C T 112.73 2.94 13.36 17.87 90.69 -97.36 -63.01 -22.97 99.19 0.18 0.63 0.23 3.68 95.34 0.01 0.60 0.00 0.11 0.03 35 N C T 111.98 2.08 12.32 15.21 92.95 55.98 -88.36 2.29 99.29 0.07 0.64 0.18 3.45 95.65 0.01 0.65 0.00 0.03 0.01 36 G C S 51.12 2.43 13.13 16.63 97.46 -102.58 87.45 5.64 99.09 0.55 0.36 15.42 82.83 1.04 0.03 0.24 0.00 0.24 0.21 37 E C C 81.45 6.31 11.49 20.03 117.38 140.75 -77.12 143.52 97.58 2.40 0.02 96.51 1.34 0.08 0.00 0.01 0.00 1.81 0.25 38 E E E 115.30 6.02 14.30 22.41 121.33 -146.01 -111.81 135.18 0.99 99.01 0.00 0.91 0.04 0.00 0.00 0.00 0.00 98.87 0.17 39 F E E 52.87 13.12 13.19 27.58 130.19 -177.33 -132.18 147.96 0.24 99.76 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.78 0.00 40 E E E 109.16 6.48 18.57 26.41 118.43 -136.08 -105.74 129.32 0.64 99.36 0.00 0.56 0.02 0.00 0.00 0.00 0.00 99.41 0.01 41 V E E 25.59 17.01 14.84 32.36 122.85 -172.14 -120.79 130.07 4.11 95.89 0.00 4.00 0.07 0.00 0.00 0.00 0.00 95.90 0.03 42 P E E 57.57 8.05 22.25 30.80 115.06 -129.71 -77.48 140.85 6.30 93.70 0.00 6.02 0.15 0.01 0.00 0.00 0.00 93.73 0.09 43 F E E 29.76 18.90 14.62 33.24 136.12 174.16 -141.05 159.16 4.91 95.07 0.03 4.42 0.40 0.03 0.02 0.01 0.00 92.84 2.29 44 A E E 27.70 9.53 17.22 28.47 117.43 -107.90 -76.86 152.37 28.06 71.71 0.23 24.19 3.89 0.56 0.09 0.18 0.00 67.55 3.55 45 D C T 94.23 7.54 14.57 23.38 92.30 -116.17 -64.53 -25.13 95.59 3.60 0.81 1.56 9.19 85.23 0.04 0.74 0.00 2.88 0.37 46 D C T 119.11 1.24 17.76 17.98 94.68 53.28 -89.95 1.98 98.43 0.99 0.58 2.89 10.03 85.42 0.04 0.66 0.00 0.82 0.14 47 A C C 29.09 15.12 8.88 23.87 120.48 104.49 -81.78 150.81 93.55 5.87 0.58 62.42 30.08 1.39 0.11 0.56 0.00 3.30 2.13 48 E C C 145.02 1.65 20.52 21.47 113.40 -114.40 -83.57 134.95 91.12 8.74 0.14 87.16 4.10 0.39 0.05 0.09 0.00 3.50 4.71 49 I C C 62.09 18.26 11.52 28.55 116.76 -130.74 -85.49 135.09 98.32 1.66 0.02 96.27 2.33 0.06 0.00 0.01 0.00 0.87 0.46 50 P C C 37.66 11.66 14.78 27.78 115.90 -106.84 -67.12 152.91 99.29 0.64 0.06 98.07 1.11 0.24 0.01 0.03 0.00 0.39 0.14 51 G C S 50.23 4.23 17.59 23.07 93.78 -131.55 -73.03 -23.87 98.49 1.49 0.02 5.79 92.12 0.79 0.00 0.02 0.00 1.21 0.07 52 T E E 68.91 5.06 18.95 25.18 134.30 24.37 -141.95 148.94 8.59 91.36 0.05 6.16 2.29 0.24 0.01 0.05 0.00 90.96 0.29 53 W E E 35.92 18.81 12.79 31.56 130.48 -173.62 -133.38 147.60 1.67 98.31 0.01 1.47 0.15 0.02 0.00 0.01 0.00 98.29 0.06 54 L E E 86.94 5.03 20.80 26.34 117.44 -127.89 -100.07 132.97 1.02 98.97 0.01 0.99 0.04 0.00 0.01 0.00 0.00 98.11 0.85 55 C C C 17.49 17.38 9.84 27.27 123.05 -137.02 -81.80 163.64 81.82 18.14 0.05 81.88 0.55 0.07 0.01 0.02 0.00 16.70 0.77 56 R C T 162.21 3.87 14.15 19.60 91.43 -98.03 -63.79 -22.89 98.29 1.11 0.60 2.16 6.50 89.62 0.03 0.64 0.00 0.94 0.13 57 N C T 101.96 3.45 12.91 17.58 92.96 55.46 -88.30 2.54 99.26 0.14 0.60 1.07 5.88 92.30 0.02 0.62 0.00 0.09 0.03 58 G C S 52.02 2.33 13.96 17.11 97.73 -101.22 87.64 5.17 98.71 0.65 0.64 17.97 78.82 2.14 0.07 0.43 0.00 0.33 0.25 59 M C C 78.76 7.13 12.40 21.50 119.87 133.67 -80.71 146.77 95.26 4.70 0.04 92.85 2.74 0.12 0.01 0.02 0.00 3.52 0.75 60 E E E 112.03 5.17 18.05 24.41 117.73 -120.15 -86.42 139.44 2.54 97.44 0.02 2.44 0.16 0.01 0.01 0.01 0.00 93.08 4.29 61 G E E 10.45 18.63 12.29 30.57 136.39 167.92 -137.96 166.47 5.89 94.09 0.01 5.25 0.45 0.03 0.00 0.01 0.00 94.15 0.10 62 T E E 62.91 6.44 23.19 30.31 128.03 -133.32 -123.15 147.38 6.34 93.63 0.04 6.04 0.35 0.04 0.01 0.02 0.00 92.68 0.85 63 L E E 53.11 15.92 14.43 30.42 113.09 -113.99 -77.69 131.45 18.38 81.44 0.18 15.92 2.14 0.35 0.08 0.13 0.00 78.85 2.53 64 I E E 53.93 10.64 13.39 25.77 118.33 -158.08 -107.33 130.99 46.38 53.11 0.51 40.23 3.89 0.97 0.16 0.40 0.00 50.36 3.98 65 E C C 148.49 2.15 14.16 17.65 113.08 -138.22 -89.09 130.37 74.71 23.42 1.88 41.41 21.43 13.16 0.23 1.97 0.00 20.03 1.76 66 G C S 48.13 2.52 13.67 17.09 125.70 38.80 115.14 -170.50 93.55 4.82 1.63 22.49 48.12 22.89 0.10 1.93 0.00 3.71 0.76 67 D C C 122.03 1.42 14.12 15.83 111.78 -51.77 -88.85 125.81 93.94 4.49 1.57 59.27 25.97 8.32 0.16 2.02 0.00 2.74 1.51 68 L C C 89.56 8.54 9.55 19.38 116.74 -128.13 -79.51 141.48 97.91 2.00 0.09 88.45 9.40 0.27 0.03 0.07 0.00 1.10 0.68 69 P C C 69.65 7.80 10.17 19.65 114.41 -106.59 -66.69 150.55 98.07 1.81 0.12 95.55 2.45 0.28 0.04 0.06 0.00 0.81 0.81 70 E C C 145.42 1.87 12.73 15.71 114.44 -109.24 -83.32 137.99 98.70 1.23 0.07 94.52 4.13 0.17 0.02 0.04 0.00 0.53 0.60 71 P C C 93.93 5.44 8.91 16.49 114.16 -106.24 -66.90 145.13 98.03 1.53 0.45 93.69 3.58 0.82 0.12 0.28 0.00 0.79 0.72 72 K C C 141.33 3.00 9.45 14.56 115.24 -124.45 -88.18 140.09 97.48 1.97 0.54 92.16 4.56 0.90 0.15 0.33 0.00 1.02 0.88 73 K C C 163.10 1.45 10.44 13.22 113.13 -112.49 -80.22 132.61 93.45 6.03 0.52 88.75 4.05 0.83 0.15 0.35 0.00 3.07 2.80 74 V C C 98.35 4.95 7.43 14.38 116.24 -158.72 -98.45 137.81 94.14 5.63 0.23 88.18 5.72 0.39 0.09 0.13 0.00 2.56 2.93 75 K C C 155.77 1.61 10.07 13.03 116.10 -128.74 -93.78 134.36 98.28 1.68 0.04 90.96 7.47 0.09 0.01 0.02 0.00 0.79 0.66 76 P C C 92.66 3.45 9.92 15.37 116.52 -104.06 -67.22 150.06 99.53 0.39 0.08 95.78 3.48 0.34 0.02 0.04 0.00 0.20 0.14 77 P C C 95.04 4.31 10.43 16.65 112.90 -103.33 -67.13 146.50 98.46 0.92 0.62 90.90 5.54 1.98 0.23 0.34 0.00 0.38 0.62 78 R C C 133.88 5.66 10.96 18.50 119.11 -122.62 -94.49 142.56 96.34 2.67 1.00 85.03 9.57 1.10 0.57 0.39 0.00 0.86 2.48 79 T C C 57.53 5.85 13.81 21.26 122.01 -126.48 -83.91 164.22 95.77 2.61 1.62 85.99 9.01 0.45 1.51 0.23 0.00 0.77 2.03 80 H H H 103.05 7.52 13.73 22.54 91.21 -107.99 -59.31 -36.95 2.63 0.01 97.36 0.50 0.46 1.59 96.75 0.68 0.01 0.00 0.00 81 W H H 109.36 8.83 14.36 24.02 92.50 54.06 -65.26 -39.91 1.25 0.01 98.74 0.18 0.13 0.85 98.05 0.78 0.00 0.00 0.00 82 D H H 66.07 4.30 15.73 21.24 91.92 50.54 -64.61 -40.42 0.49 0.01 99.50 0.10 0.05 0.30 98.59 0.96 0.00 0.00 0.00 83 M H H 72.83 4.48 15.15 21.07 91.80 50.77 -64.08 -41.04 0.53 0.00 99.47 0.09 0.05 0.34 98.81 0.71 0.00 0.00 0.00 84 L H H 48.27 9.34 12.96 23.91 92.11 50.49 -65.36 -39.64 1.70 0.01 98.29 0.21 0.13 1.27 97.34 1.04 0.00 0.01 0.00 85 L H H 76.57 7.85 12.21 21.48 92.13 53.49 -68.11 -31.21 7.62 0.04 92.34 0.85 0.67 5.97 90.48 1.97 0.02 0.02 0.02 86 E H H 135.27 2.00 14.57 16.95 92.06 58.59 -70.06 -26.09 25.37 0.05 74.58 1.26 1.62 22.51 72.59 1.93 0.03 0.02 0.04 87 R H H 159.12 2.33 13.73 16.35 99.59 39.46 -97.07 -12.59 43.48 0.22 56.31 3.73 5.49 33.53 55.14 1.82 0.06 0.07 0.15 88 R C S 78.30 9.64 8.67 19.55 131.57 58.60 -123.42 155.65 93.65 3.04 3.31 37.26 54.02 1.94 3.36 0.37 0.00 0.67 2.38 89 S C C 61.68 1.80 16.42 17.30 119.53 -109.07 -74.71 161.31 96.68 2.12 1.20 93.78 2.47 0.53 1.12 0.13 0.00 0.69 1.27 90 I H H 104.39 6.24 10.96 18.99 91.67 -106.92 -58.39 -38.78 1.44 0.01 98.56 0.33 0.29 0.70 98.44 0.22 0.00 0.00 0.00 91 E H H 135.72 0.93 15.95 15.28 91.69 52.39 -63.95 -40.68 0.70 0.00 99.30 0.10 0.07 0.45 99.16 0.23 0.00 0.00 0.00 92 E H H 91.07 3.28 15.37 19.44 91.73 48.66 -65.44 -40.61 0.33 0.00 99.67 0.06 0.03 0.20 99.50 0.21 0.00 0.00 0.00 93 L H H 34.79 11.35 11.71 24.68 91.62 51.13 -63.34 -42.04 0.13 0.00 99.87 0.02 0.01 0.06 99.86 0.04 0.00 0.00 0.00 94 E H H 95.75 3.66 17.00 21.44 91.34 50.88 -63.64 -41.16 0.13 0.00 99.87 0.02 0.01 0.07 99.89 0.01 0.00 0.00 0.00 95 E H H 105.46 1.71 18.86 19.12 91.73 49.99 -64.58 -41.86 0.13 0.00 99.87 0.02 0.01 0.08 99.89 0.01 0.00 0.00 0.00 96 L H H 61.22 5.97 16.52 23.88 91.71 49.64 -64.21 -42.23 0.15 0.00 99.85 0.02 0.01 0.09 99.87 0.02 0.00 0.00 0.00 97 L H H 54.97 8.97 15.29 25.58 91.77 50.12 -64.05 -41.40 0.22 0.00 99.78 0.03 0.01 0.13 99.81 0.02 0.00 0.00 0.00 98 K H H 116.43 2.65 17.76 20.52 91.54 50.91 -63.91 -41.13 0.25 0.00 99.75 0.03 0.02 0.15 99.79 0.02 0.00 0.00 0.00 99 E H H 101.80 2.07 17.99 19.28 91.80 50.09 -64.41 -41.26 0.28 0.00 99.72 0.04 0.02 0.16 99.76 0.02 0.00 0.00 0.00 100 R H H 102.65 5.72 16.34 22.95 92.01 50.24 -64.78 -41.34 0.29 0.00 99.71 0.04 0.02 0.16 99.75 0.03 0.00 0.00 0.00 101 L H H 67.29 6.04 14.75 22.20 91.78 50.41 -64.61 -40.99 0.36 0.00 99.64 0.06 0.02 0.19 99.67 0.05 0.00 0.00 0.00 102 E H H 104.58 1.88 16.77 18.04 91.65 50.83 -64.02 -40.85 0.60 0.00 99.40 0.10 0.04 0.35 99.43 0.08 0.00 0.00 0.00 103 L H H 84.80 2.40 15.41 18.02 91.84 49.82 -64.59 -41.40 1.36 0.01 98.63 0.22 0.11 0.87 98.61 0.18 0.00 0.00 0.00 104 I H H 72.89 5.18 12.88 19.52 92.17 49.51 -65.18 -41.43 2.84 0.02 97.14 0.57 0.29 1.77 96.93 0.42 0.00 0.01 0.00 105 R H H 132.41 2.90 12.72 16.68 92.04 50.78 -65.63 -38.35 7.50 0.06 92.44 1.56 0.86 4.90 91.76 0.85 0.01 0.03 0.03 106 S H H 74.26 1.45 12.51 13.92 92.72 52.09 -67.97 -34.52 20.68 0.17 79.15 4.67 2.69 13.31 77.34 1.80 0.03 0.07 0.09 107 R H H 158.54 1.88 11.08 13.73 94.81 52.93 -74.12 -25.97 34.85 0.53 64.63 10.19 6.67 18.99 60.89 2.71 0.06 0.21 0.28 108 R C H 149.63 3.47 9.03 14.10 100.65 61.39 -83.26 -5.65 52.09 1.41 46.50 26.14 7.88 19.16 42.56 2.92 0.03 0.59 0.73 109 R C C 170.76 1.89 9.18 12.52 105.10 84.26 -85.55 55.91 77.44 0.91 21.65 58.34 1.76 15.32 22.32 1.32 0.00 0.41 0.51 110 G C C 54.21 2.36 12.36 15.89 109.62 -56.26 83.08 -0.97 99.91 0.04 0.05 99.53 0.18 0.23 0.02 0.00 0.00 0.02 0.01