# 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 116.31 4.72 10.04 16.40 117.92 -155.97 -98.26 138.26 99.88 0.09 0.04 99.69 0.17 0.06 0.01 0.00 0.00 0.04 0.02 1 S C C 78.10 2.67 8.75 12.98 113.00 -131.76 -89.65 140.44 87.69 1.44 10.88 82.61 1.43 4.82 7.22 2.48 0.00 0.66 0.79 2 E C C 142.59 2.13 8.00 11.61 102.83 -134.05 -82.15 -4.36 70.88 1.75 27.37 48.35 10.68 12.04 18.19 8.91 0.00 0.82 1.02 3 D C C 106.17 2.24 8.20 11.86 102.01 71.33 -78.97 -0.24 63.30 1.37 35.33 40.27 10.53 12.78 22.34 12.67 0.01 0.65 0.76 4 D C C 106.48 2.38 8.40 12.24 99.57 72.37 -80.15 -6.92 56.75 1.22 42.03 34.87 9.27 12.93 27.14 14.54 0.01 0.59 0.64 5 S C C 78.77 2.70 8.24 12.59 101.80 74.00 -84.48 9.69 61.06 1.20 37.74 36.92 9.58 14.85 24.12 13.25 0.01 0.57 0.69 6 K C C 144.13 2.30 8.29 12.23 108.36 85.90 -87.53 90.46 69.74 1.49 28.77 43.67 12.12 14.15 19.27 9.22 0.01 0.68 0.89 7 K C C 147.13 2.24 8.35 12.23 113.28 138.42 -92.65 128.09 80.63 1.77 17.60 51.40 16.22 13.09 11.91 5.46 0.01 0.77 1.13 8 E C C 133.84 2.52 8.60 12.99 115.87 -138.01 -91.21 134.18 93.79 1.25 4.96 65.46 24.22 4.08 3.64 1.35 0.00 0.55 0.70 9 P C C 97.56 3.39 8.35 13.60 113.27 -113.27 -76.25 143.77 91.36 1.66 6.98 73.27 12.64 5.20 5.39 1.75 0.00 0.79 0.96 10 E C C 128.65 2.85 8.57 13.23 114.87 -126.53 -90.49 133.33 87.06 1.19 11.75 72.60 10.88 3.23 10.42 1.69 0.00 0.50 0.68 11 P C C 96.58 3.01 8.63 13.39 107.86 -116.44 -70.77 131.53 61.95 1.01 37.03 48.51 5.78 7.53 31.71 5.53 0.00 0.55 0.39 12 E C H 139.21 2.09 9.37 12.70 104.78 -118.44 -84.37 65.15 50.81 1.26 47.92 37.63 6.15 7.47 40.95 6.65 0.00 0.69 0.45 13 E H H 123.51 2.97 9.49 13.83 104.24 56.00 -84.63 9.19 40.12 1.38 58.50 30.13 5.66 5.67 51.33 6.01 0.00 0.77 0.41 14 T H H 81.30 3.50 9.74 14.71 107.78 61.13 -81.89 83.90 34.90 1.20 63.90 26.82 4.85 4.96 57.94 4.41 0.01 0.67 0.34 15 E H H 124.83 2.69 10.60 14.46 97.64 52.52 -72.16 -29.85 24.22 0.83 74.94 17.15 3.87 4.90 68.46 4.88 0.01 0.51 0.23 16 A H H 69.23 2.72 10.69 14.52 97.14 56.67 -70.98 -29.04 25.30 0.97 73.73 16.84 3.85 6.09 67.30 5.02 0.01 0.63 0.26 17 E H H 118.80 2.95 11.05 15.19 97.02 54.96 -73.67 -28.79 28.20 1.04 70.77 20.16 4.01 5.78 64.45 4.66 0.01 0.62 0.30 18 I H H 101.65 3.74 10.22 15.40 99.25 60.50 -76.16 -26.06 34.90 1.06 64.04 26.90 3.97 5.04 60.29 2.91 0.01 0.59 0.29 19 K H H 130.10 2.61 11.41 15.01 101.13 56.33 -78.79 -8.33 42.61 1.25 56.14 32.96 3.79 6.12 53.50 2.57 0.00 0.68 0.37 20 H H H 125.04 2.98 10.43 14.65 100.03 55.92 -77.86 -19.29 47.32 1.00 51.68 34.72 4.90 7.33 49.72 2.50 0.00 0.50 0.34 21 E C H 122.81 2.73 10.98 14.83 98.32 59.46 -76.39 -19.47 52.32 0.74 46.95 37.51 5.47 8.18 45.80 2.42 0.00 0.36 0.26 22 E C H 124.27 2.53 11.36 14.88 99.27 57.38 -78.96 -16.44 53.67 0.74 45.59 40.43 5.68 6.69 44.00 2.58 0.00 0.36 0.26 23 I H H 100.87 3.97 10.28 15.65 103.23 60.05 -85.02 0.68 47.40 1.08 51.52 36.06 5.30 6.05 48.59 3.09 0.00 0.57 0.34 24 S H H 69.63 3.54 10.98 15.85 104.30 57.58 -85.15 20.45 47.45 1.60 50.95 35.90 5.06 6.63 47.56 3.46 0.00 0.94 0.46 25 R H H 150.47 3.00 10.60 14.87 106.04 53.50 -87.54 48.85 40.30 2.60 57.10 28.72 6.28 6.85 51.61 4.25 0.02 1.55 0.73 26 E H H 125.92 2.79 10.78 14.81 104.46 55.27 -85.10 24.42 41.09 2.64 56.28 28.36 6.61 7.62 50.75 4.28 0.02 1.61 0.73 27 E H H 124.18 3.51 9.97 14.95 104.44 56.42 -86.56 21.90 47.75 2.63 49.62 31.34 7.75 9.96 44.33 4.23 0.03 1.48 0.88 28 D C C 99.15 3.49 9.92 14.96 107.69 66.53 -87.94 86.05 59.79 2.16 38.04 37.03 10.03 12.97 33.68 4.31 0.03 1.08 0.89 29 D C C 102.36 3.22 9.66 14.48 108.05 73.04 -89.30 94.79 68.08 2.26 29.66 40.55 12.61 14.93 24.96 4.81 0.02 1.06 1.07 30 E C C 134.80 2.79 9.59 13.91 106.28 98.61 -86.90 72.62 72.90 2.06 25.04 34.28 16.38 23.15 18.30 5.85 0.03 0.92 1.09 31 G C C 51.89 3.47 10.18 15.16 107.85 -44.57 -53.33 14.53 78.65 1.46 19.90 31.28 18.72 29.79 11.12 7.54 0.02 0.62 0.91 32 G C C 48.87 3.61 10.74 15.86 111.30 81.34 -66.85 127.89 77.09 2.06 20.85 36.34 19.60 21.96 9.83 10.13 0.01 0.93 1.18 33 E C C 135.79 2.95 11.09 15.36 107.75 -86.44 -86.17 81.07 72.59 3.99 23.42 39.20 17.44 16.41 11.10 11.87 0.02 1.96 2.00 34 F C C 122.31 6.40 9.31 17.07 110.83 62.67 -92.27 110.80 67.51 4.84 27.65 39.38 16.08 12.19 11.69 15.88 0.03 2.54 2.23 35 S C C 71.33 4.29 11.98 17.75 110.94 -114.14 -82.74 138.83 73.31 3.95 22.74 46.22 12.10 15.15 8.70 13.97 0.01 2.46 1.39 36 T C C 99.92 3.22 13.16 17.66 111.45 -115.75 -87.84 119.24 75.85 6.97 17.18 46.71 15.41 14.28 6.68 10.19 0.02 4.25 2.45 37 V C C 57.40 11.33 8.88 20.86 118.78 -150.59 -100.67 135.82 89.22 7.85 2.93 71.19 16.43 1.46 2.15 0.97 0.00 3.70 4.11 38 T C C 70.18 3.03 16.55 19.79 121.36 -140.14 -89.12 163.63 93.11 5.23 1.65 90.18 2.90 0.39 1.52 0.24 0.00 2.50 2.27 39 I H H 101.34 6.29 12.39 20.24 92.37 -106.79 -58.61 -38.16 1.35 0.01 98.64 0.42 0.17 0.63 98.40 0.38 0.00 0.00 0.00 40 S H H 70.12 1.99 15.93 17.76 91.90 54.30 -64.23 -39.38 0.67 0.00 99.33 0.13 0.06 0.39 99.04 0.39 0.00 0.00 0.00 41 D H H 60.25 6.06 15.08 22.68 92.15 50.67 -65.67 -39.98 0.27 0.00 99.73 0.07 0.02 0.15 99.43 0.34 0.00 0.00 0.00 42 I H H 54.44 9.73 13.71 24.64 92.04 51.01 -64.61 -41.76 0.14 0.00 99.86 0.03 0.01 0.07 99.79 0.09 0.00 0.00 0.00 43 E H H 95.59 3.71 16.79 21.21 91.66 51.13 -63.85 -40.33 0.25 0.00 99.75 0.05 0.02 0.15 99.70 0.09 0.00 0.00 0.00 44 M H H 92.86 3.26 16.95 20.66 91.89 51.02 -64.94 -40.36 0.60 0.00 99.40 0.09 0.04 0.40 99.31 0.17 0.00 0.00 0.00 45 L H H 66.53 8.22 14.60 23.89 92.46 50.95 -65.88 -38.73 1.66 0.00 98.34 0.22 0.11 1.16 98.16 0.33 0.00 0.00 0.00 46 L H H 79.00 7.14 14.90 23.02 92.82 52.40 -68.48 -33.00 8.47 0.06 91.47 1.49 0.74 6.01 90.81 0.87 0.02 0.02 0.03 47 K H H 132.86 2.57 16.62 19.41 93.60 54.79 -70.08 -29.85 22.89 0.20 76.90 3.14 2.52 17.19 75.63 1.27 0.06 0.07 0.12 48 D C H 76.87 6.13 14.79 22.00 100.70 46.63 -94.29 9.76 49.79 0.56 49.65 14.94 7.72 26.34 48.74 1.69 0.04 0.19 0.33 49 T H H 55.35 9.29 13.44 23.78 97.09 102.68 -73.51 -32.49 43.85 0.76 55.40 24.69 8.70 10.38 53.72 1.85 0.02 0.27 0.37 50 E H H 109.17 3.31 18.81 22.23 94.13 74.01 -65.23 -38.21 14.02 0.17 85.81 5.11 2.94 6.14 84.67 0.98 0.02 0.07 0.08 51 I H H 43.58 10.51 16.63 28.36 92.82 50.92 -65.28 -42.84 3.37 0.07 96.56 1.07 0.50 1.88 95.91 0.56 0.02 0.03 0.02 52 W H H 70.02 11.22 16.35 28.56 92.07 51.05 -63.77 -42.83 0.97 0.02 99.01 0.31 0.12 0.54 98.66 0.35 0.01 0.01 0.00 53 D H H 66.64 4.19 18.42 23.28 91.97 50.58 -64.26 -41.08 0.72 0.02 99.26 0.20 0.08 0.44 98.96 0.30 0.01 0.01 0.00 54 K H H 80.58 4.37 16.87 22.29 91.95 49.86 -64.79 -41.63 0.80 0.02 99.17 0.16 0.08 0.56 98.86 0.32 0.01 0.01 0.00 55 L H H 42.99 10.73 13.07 25.16 92.13 49.94 -65.14 -41.20 1.03 0.02 98.95 0.12 0.07 0.84 98.61 0.33 0.01 0.01 0.00 56 L H H 89.68 6.66 14.12 21.94 91.46 50.83 -66.31 -33.39 5.66 0.02 94.32 0.20 0.23 5.48 93.67 0.39 0.02 0.01 0.01 57 R C T 150.38 1.85 14.59 16.42 93.17 49.41 -87.33 -1.35 87.97 0.02 12.01 0.36 1.27 85.31 12.64 0.38 0.00 0.00 0.02 58 N C T 121.58 3.36 11.72 17.11 93.53 -118.09 63.72 28.02 99.38 0.01 0.61 0.62 1.91 97.02 0.38 0.07 0.00 0.00 0.00 59 E C S 132.85 1.92 14.19 16.65 95.91 129.61 -81.98 -21.07 99.53 0.31 0.16 19.45 78.87 1.27 0.08 0.05 0.00 0.10 0.18 60 L C S 45.45 10.65 10.16 22.37 132.86 27.44 -135.71 151.26 98.91 0.99 0.10 11.37 87.48 0.34 0.05 0.02 0.00 0.26 0.48 61 S C C 56.68 2.77 19.59 21.62 120.23 -120.71 -80.10 161.94 99.26 0.58 0.16 98.41 0.91 0.07 0.11 0.02 0.00 0.17 0.31 62 I H H 78.28 11.51 12.16 24.46 91.25 -109.69 -58.50 -38.48 2.40 0.01 97.59 0.80 0.45 1.12 97.00 0.62 0.00 0.00 0.01 63 E H H 126.34 1.54 18.59 19.04 91.75 52.87 -63.93 -40.99 1.29 0.01 98.70 0.29 0.13 0.78 98.03 0.76 0.00 0.00 0.00 64 E H H 92.16 3.39 18.06 21.73 91.75 48.65 -65.78 -40.38 0.51 0.00 99.49 0.15 0.05 0.28 98.99 0.53 0.00 0.00 0.00 65 A H H 14.92 14.42 12.66 28.46 91.72 51.83 -63.92 -41.84 0.36 0.00 99.64 0.12 0.03 0.17 99.49 0.19 0.00 0.00 0.00 66 K H H 95.88 6.45 17.98 25.22 91.48 51.42 -63.35 -41.37 0.44 0.00 99.56 0.09 0.03 0.24 99.45 0.18 0.00 0.00 0.00 67 K H H 122.19 1.62 20.41 20.26 91.95 49.96 -64.56 -41.70 0.81 0.00 99.19 0.09 0.04 0.57 99.04 0.27 0.00 0.00 0.00 68 M H H 72.13 6.85 17.67 25.53 91.93 49.26 -64.81 -41.27 1.43 0.00 98.56 0.17 0.08 1.01 98.41 0.32 0.00 0.00 0.00 69 F H H 61.45 12.13 15.35 27.94 92.06 49.71 -65.10 -40.89 1.79 0.01 98.20 0.49 0.18 0.97 98.03 0.33 0.00 0.00 0.00 70 D H H 79.12 3.41 18.31 21.98 91.76 51.18 -64.79 -40.07 2.37 0.01 97.62 0.65 0.21 1.31 97.41 0.40 0.00 0.00 0.00 71 D H H 83.63 2.24 18.52 19.96 92.36 50.48 -65.73 -40.87 3.15 0.02 96.84 0.61 0.31 2.01 96.51 0.54 0.00 0.01 0.01 72 V H H 54.78 7.62 15.31 24.14 92.70 49.16 -66.37 -40.31 4.45 0.03 95.52 1.03 0.54 2.72 95.06 0.62 0.00 0.01 0.01 73 A H H 45.93 7.22 14.31 22.93 92.46 52.55 -65.18 -39.46 5.06 0.05 94.89 1.94 0.71 2.35 93.98 0.98 0.00 0.02 0.01 74 R H H 147.87 1.94 16.48 18.11 92.89 51.59 -66.65 -38.48 6.84 0.09 93.07 2.30 0.90 3.70 91.07 1.95 0.01 0.05 0.03 75 S H H 64.79 2.96 15.20 18.59 94.02 51.11 -68.16 -36.68 9.63 0.14 90.24 2.98 1.23 5.42 88.15 2.09 0.01 0.07 0.05 76 Y H H 113.50 6.28 12.78 20.16 96.59 48.83 -74.36 -32.38 13.67 0.37 85.96 6.20 2.42 5.74 82.94 2.37 0.02 0.19 0.12 77 S H H 60.03 4.41 12.95 18.64 97.39 59.43 -71.86 -32.67 22.95 0.83 76.22 12.14 3.64 7.84 73.70 1.96 0.02 0.43 0.27 78 K H H 132.33 2.17 13.12 15.73 98.44 54.81 -72.56 -26.64 29.83 0.73 69.44 14.12 5.42 11.16 66.22 2.43 0.03 0.36 0.27 79 A H H 63.58 3.70 10.99 16.19 97.78 63.95 -71.31 -34.12 29.97 0.76 69.27 16.60 6.70 7.62 65.71 2.71 0.02 0.37 0.27 80 D H H 90.60 3.41 10.97 15.76 99.25 56.54 -76.93 -22.33 35.43 0.94 63.63 23.22 5.48 7.10 60.57 2.83 0.01 0.48 0.31 81 K H H 136.51 2.29 10.29 13.74 99.58 56.36 -78.27 -16.35 35.31 1.08 63.61 23.25 5.59 7.07 59.92 3.24 0.01 0.56 0.36 82 K H H 140.35 2.17 9.28 12.82 102.18 66.65 -80.38 -5.89 39.84 1.11 59.05 27.12 5.26 7.51 55.93 3.20 0.01 0.58 0.38 83 K H H 146.11 2.11 8.96 12.44 103.41 72.89 -82.31 3.91 46.48 1.24 52.28 31.92 7.05 7.35 49.33 3.27 0.01 0.63 0.44 84 R C H 162.16 2.16 8.68 12.36 110.79 86.46 -90.99 127.12 50.80 1.63 47.57 35.94 7.98 6.64 44.86 3.18 0.01 0.87 0.53 85 R C C 166.12 2.04 8.56 12.20 112.19 -126.65 -88.07 132.71 54.85 2.38 42.77 41.42 7.13 6.06 39.96 3.31 0.00 1.34 0.78 86 V C C 107.31 2.99 7.18 11.99 111.62 -145.92 -90.55 129.75 59.58 3.01 37.41 45.63 6.92 6.47 34.90 3.29 0.00 1.78 1.00 87 E C C 145.45 1.77 8.03 11.26 110.41 -151.73 -89.59 124.81 68.69 3.14 28.17 50.71 8.95 7.90 26.48 3.02 0.00 1.81 1.14 88 K C C 156.25 1.63 8.00 11.06 111.23 -148.55 -89.98 127.10 78.33 2.07 19.60 53.45 16.55 6.84 18.91 2.31 0.00 1.08 0.85 89 K C C 151.98 1.79 8.36 11.73 114.90 -130.22 -91.15 132.75 86.10 1.26 12.65 64.54 16.27 4.09 12.36 1.58 0.00 0.66 0.51 90 P C C 99.83 2.97 7.26 12.26 113.37 -115.47 -73.52 143.11 83.89 1.65 14.45 72.28 5.41 5.58 12.59 2.54 0.00 1.00 0.60 91 K C C 157.46 1.58 8.09 11.13 113.27 -137.17 -92.62 130.22 79.83 3.66 16.51 63.74 8.41 6.68 14.26 3.21 0.00 2.10 1.59 92 K C C 156.70 1.65 7.67 10.86 113.55 -136.83 -90.06 131.78 77.68 3.78 18.54 58.52 10.21 8.02 15.86 3.70 0.00 2.35 1.35 93 G C C 52.91 2.48 7.97 12.06 112.83 -148.35 -94.25 137.11 78.71 3.14 18.15 56.12 12.09 9.66 15.37 3.73 0.00 2.02 1.01 94 K C C 158.24 1.61 8.46 11.15 105.21 -121.31 -85.57 67.53 74.92 3.87 21.21 50.71 16.03 7.70 18.44 3.52 0.00 2.39 1.20 95 V C C 107.39 2.42 8.00 12.04 114.20 69.44 -95.17 130.53 74.05 3.96 21.99 53.91 15.13 4.40 20.50 2.48 0.00 2.51 1.08 96 T C C 97.30 2.37 8.97 12.87 114.34 -140.23 -88.40 136.85 69.31 4.84 25.85 58.35 5.82 4.30 24.48 2.48 0.00 3.29 1.27 97 K C C 140.67 2.52 8.59 12.74 112.97 -131.85 -85.56 130.63 65.02 4.05 30.93 52.92 6.67 4.83 28.96 2.89 0.00 2.50 1.23 98 K C C 141.04 2.21 9.27 12.82 108.73 -124.09 -83.12 114.59 56.91 2.11 40.98 42.49 8.10 6.17 37.52 3.86 0.00 1.25 0.61 99 S C H 72.94 2.83 8.70 13.00 106.45 54.37 -79.51 87.65 52.93 1.67 45.40 37.87 7.75 7.61 40.00 5.27 0.00 0.97 0.52 100 D H H 103.86 2.15 8.60 12.03 101.54 53.94 -78.76 -4.57 44.44 1.53 54.03 27.69 8.66 9.19 45.43 7.63 0.02 0.89 0.50 101 E H H 137.20 1.85 8.14 11.24 99.66 66.10 -76.83 -13.27 43.92 1.83 54.24 24.64 9.02 11.49 43.79 9.34 0.03 1.09 0.61 102 E C H 143.69 1.55 7.87 10.62 101.57 64.00 -81.35 -5.84 51.66 2.36 45.98 30.57 8.78 13.27 36.15 8.98 0.03 1.37 0.86 103 E C C 142.07 1.80 7.47 10.71 104.25 69.01 -84.16 27.93 68.15 1.64 30.20 53.66 2.30 12.62 25.13 4.63 0.00 0.93 0.74 104 E C C 139.19 2.37 9.78 13.58 107.41 72.94 -84.07 107.14 99.70 0.07 0.23 99.33 0.16 0.28 0.17 0.01 0.00 0.03 0.01