# 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 102.98 7.82 11.12 20.14 116.54 -156.57 -93.46 130.18 99.85 0.14 0.01 99.78 0.10 0.03 0.00 0.00 0.00 0.07 0.02 1 E C C 145.60 2.00 10.81 14.29 112.37 -143.93 -92.77 126.90 95.28 3.42 1.30 91.84 1.46 2.30 0.63 0.40 0.00 1.87 1.51 2 S C C 68.63 5.21 8.42 15.49 120.01 -147.67 -95.12 147.57 94.19 2.83 2.99 65.77 24.32 4.32 1.26 1.57 0.00 1.56 1.19 3 P C C 85.26 5.01 9.71 16.56 112.78 -102.15 -68.68 148.87 89.48 2.41 8.11 74.00 9.28 6.52 3.10 4.67 0.00 1.54 0.89 4 R C C 158.94 3.30 10.64 15.76 110.59 -107.25 -75.40 137.19 82.00 4.43 13.57 65.13 8.86 8.09 5.05 8.34 0.00 2.63 1.90 5 K C C 136.22 4.72 9.49 15.99 110.81 -132.31 -86.95 126.05 81.88 4.53 13.60 55.00 17.19 9.81 5.37 8.12 0.01 2.58 1.92 6 N C C 117.74 2.57 12.30 16.07 106.83 -137.78 -94.28 83.90 84.86 4.13 11.01 56.33 20.65 8.23 4.04 6.74 0.00 2.46 1.54 7 F C C 94.48 10.64 8.21 19.34 114.74 159.56 -86.09 131.46 86.40 4.76 8.85 62.20 12.19 12.06 3.32 5.40 0.00 2.94 1.90 8 K C C 150.53 2.36 14.16 17.30 102.18 -166.46 -90.52 -12.27 90.11 4.35 5.55 51.94 26.96 11.43 2.21 3.18 0.00 2.20 2.08 9 H C C 87.11 8.43 11.03 20.92 117.09 50.17 -110.06 126.12 95.49 2.78 1.73 51.84 42.20 1.79 1.03 0.61 0.00 1.29 1.24 10 P C C 66.32 7.09 12.96 21.72 109.14 -123.44 -67.16 145.82 78.81 2.18 19.01 61.32 6.21 11.42 6.15 12.65 0.00 1.32 0.92 11 R C C 133.45 7.92 11.86 20.73 99.75 -121.32 -71.61 -20.47 65.71 2.71 31.58 31.93 13.49 20.92 8.85 22.09 0.01 1.39 1.31 12 N C C 112.74 3.12 13.99 18.30 101.85 63.69 -80.32 5.86 62.55 3.43 34.02 30.49 15.47 17.63 9.59 23.51 0.03 1.85 1.44 13 L C C 89.92 6.90 12.62 20.76 100.54 84.71 -85.30 -5.47 68.20 4.32 27.47 39.76 16.94 11.76 10.70 16.60 0.02 2.30 1.92 14 V C C 66.28 10.61 10.46 21.81 110.54 75.54 -94.90 100.55 84.08 3.49 12.43 50.71 27.89 5.94 7.20 4.83 0.01 1.64 1.79 15 T C C 81.72 5.64 12.48 19.55 109.56 -119.96 -80.30 129.51 87.56 2.45 9.99 68.17 10.75 8.58 4.56 5.37 0.00 1.42 1.15 16 K C C 150.57 2.70 12.93 17.02 109.62 -124.75 -87.11 116.11 90.08 2.89 7.02 62.13 19.04 8.71 2.69 4.23 0.00 1.36 1.84 17 M C C 92.92 8.73 9.66 19.64 118.81 -136.56 -95.74 135.90 96.44 1.57 1.99 63.00 30.78 2.78 0.88 0.98 0.00 0.69 0.89 18 P C C 84.29 5.26 12.38 19.32 111.48 -106.65 -68.93 146.71 95.49 1.21 3.30 77.15 10.09 8.23 0.80 2.48 0.00 0.67 0.57 19 R C C 163.01 3.69 12.85 18.37 109.74 -126.60 -85.83 117.20 93.75 2.12 4.13 57.99 21.72 13.87 1.06 3.10 0.00 0.94 1.32 20 N C C 79.87 9.84 11.10 21.73 113.64 -134.11 -92.84 127.70 95.85 1.63 2.52 59.21 29.64 6.88 0.75 1.69 0.00 0.66 1.18 21 T C C 62.93 5.89 16.51 23.47 119.61 -151.66 -98.56 138.54 97.99 0.60 1.41 83.25 13.84 0.90 1.03 0.33 0.00 0.21 0.44 22 P H H 66.22 11.73 13.45 25.96 92.96 -120.98 -60.92 -30.20 25.11 0.28 74.61 3.88 2.87 16.32 47.22 29.40 0.03 0.17 0.12 23 N H H 80.40 9.52 16.16 26.37 93.55 62.31 -72.67 -16.95 21.47 0.32 78.20 2.37 2.13 14.73 50.35 30.04 0.05 0.20 0.12 24 D H H 66.96 9.02 18.55 28.27 94.45 62.68 -78.72 -16.23 18.11 0.98 80.91 4.45 3.02 10.01 50.55 30.98 0.05 0.68 0.25 25 I H H 36.60 17.66 17.07 34.51 98.64 66.98 -83.34 -27.75 30.40 7.77 61.83 8.14 7.44 16.11 45.45 14.42 0.96 5.88 1.59 26 I E E 30.37 19.84 16.75 36.38 115.14 67.51 -97.69 122.67 20.63 56.60 22.77 11.25 4.84 5.56 20.78 4.29 0.36 45.39 7.53 27 L E E 73.55 11.26 21.35 32.34 102.17 171.99 -95.34 -25.39 31.58 58.74 9.67 20.48 7.75 3.60 9.44 2.19 0.16 52.18 4.19 28 H E E 81.83 10.57 22.41 33.06 129.92 17.56 -131.93 141.03 43.14 53.04 3.83 29.73 11.86 2.63 2.76 1.33 0.05 49.51 2.13 29 A C C 36.23 15.99 20.49 35.68 115.09 -109.59 -71.90 143.69 61.65 36.62 1.73 55.25 4.25 1.12 1.10 0.69 0.00 35.20 2.39 30 L C C 21.66 20.79 16.01 36.70 108.78 -119.27 -81.36 121.06 78.06 20.29 1.64 70.49 4.70 1.85 1.02 0.70 0.00 16.31 4.93 31 T C C 71.87 9.55 19.64 29.61 102.06 170.59 -107.01 -2.36 94.78 4.41 0.81 71.22 21.93 1.94 0.42 0.39 0.00 2.68 1.42 32 T C S 54.06 6.72 17.15 25.17 127.76 81.81 -104.59 162.70 95.86 2.09 2.04 23.59 71.33 0.94 2.01 0.22 0.00 0.47 1.44 33 E H H 137.29 2.82 16.25 20.27 91.03 -109.11 -59.41 -37.59 8.82 0.07 91.11 1.18 2.82 5.23 89.20 1.45 0.05 0.02 0.04 34 K H H 118.76 3.63 19.01 23.24 91.48 53.14 -64.52 -39.76 6.86 0.06 93.08 0.97 0.97 5.00 90.63 2.34 0.04 0.03 0.02 35 A H H 8.74 19.13 13.85 33.35 92.10 50.17 -65.68 -40.69 3.42 0.07 96.51 1.00 0.49 2.01 93.77 2.66 0.01 0.05 0.02 36 A H H 30.43 12.06 17.33 30.25 91.77 52.48 -63.18 -40.95 2.57 0.09 97.34 0.93 0.38 1.35 95.41 1.85 0.01 0.05 0.02 37 R H H 130.19 2.14 22.97 23.56 91.77 51.07 -64.25 -40.91 4.52 0.15 95.33 1.18 0.60 2.90 93.50 1.67 0.02 0.09 0.04 38 C H H 26.55 10.37 17.52 29.66 91.96 50.59 -64.88 -40.67 5.33 0.22 94.46 1.46 0.68 3.39 92.65 1.61 0.03 0.13 0.06 39 M H H 27.58 18.66 13.37 31.61 92.60 51.16 -65.35 -40.87 3.83 0.17 96.00 1.32 0.62 2.15 93.75 2.00 0.02 0.10 0.05 40 E H H 123.04 3.84 17.83 22.63 93.13 48.46 -67.17 -39.55 4.60 0.07 95.33 0.82 0.47 3.28 93.11 2.24 0.02 0.04 0.02 41 Q H H 130.81 1.49 17.83 18.39 94.51 44.15 -74.25 -34.09 9.72 0.06 90.22 0.80 0.85 8.04 88.40 1.81 0.04 0.02 0.03 42 F H H 93.39 8.43 14.95 24.47 100.44 26.32 -104.64 0.19 29.19 0.13 70.68 3.09 4.72 21.15 69.47 1.36 0.06 0.04 0.10 43 N C T 89.00 7.59 18.91 27.76 94.29 -122.29 55.98 42.10 99.35 0.35 0.30 32.28 10.18 57.01 0.09 0.15 0.00 0.24 0.05 44 T C C 17.90 17.39 18.46 36.26 128.88 135.00 -120.83 151.55 57.38 42.59 0.04 50.22 5.43 0.18 0.00 0.03 0.00 43.61 0.52 45 L E E 13.53 20.11 23.72 43.76 115.64 -130.16 -93.46 130.53 7.90 92.10 0.01 7.60 0.23 0.01 0.00 0.00 0.00 91.97 0.18 46 V E E 11.67 21.33 25.27 45.87 121.45 -161.55 -112.74 130.34 1.78 98.22 0.00 1.75 0.03 0.00 0.00 0.00 0.00 98.17 0.04 47 F E E 6.99 23.97 24.30 47.62 126.79 -171.03 -121.15 139.23 0.38 99.62 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 48 Y E E 46.27 16.18 27.20 43.10 116.08 -147.28 -102.23 126.44 0.33 99.67 0.00 0.31 0.00 0.00 0.00 0.00 0.00 99.67 0.01 49 V E E 5.43 24.21 18.37 42.76 131.56 -173.56 -129.17 150.35 2.84 97.15 0.00 2.88 0.05 0.00 0.00 0.00 0.00 96.94 0.12 50 E E E 63.06 9.77 23.49 33.72 112.77 -104.97 -71.31 140.46 36.08 63.87 0.05 35.91 0.69 0.06 0.01 0.04 0.00 62.54 0.74 51 K C T 91.31 14.42 16.18 30.49 91.49 -122.36 -62.12 -25.55 98.20 1.14 0.66 0.76 5.44 92.29 0.02 0.61 0.00 0.78 0.10 52 T C T 100.02 2.16 21.64 23.49 93.08 59.10 -88.69 -2.85 99.03 0.49 0.48 0.84 4.66 93.56 0.01 0.54 0.00 0.35 0.04 53 S C C 10.95 21.18 9.67 30.50 117.16 119.54 -69.09 143.44 98.74 1.12 0.13 67.17 31.49 0.26 0.04 0.09 0.00 0.47 0.49 54 T C C 69.55 3.25 24.16 26.27 124.10 -132.43 -90.30 163.56 96.06 3.84 0.11 94.76 1.11 0.03 0.07 0.01 0.00 0.51 3.51 55 K H H 90.28 15.31 14.34 29.12 91.38 -106.67 -57.62 -39.52 1.05 0.00 98.94 0.12 0.11 0.63 99.01 0.12 0.00 0.00 0.00 56 P H H 82.87 2.56 21.95 23.73 91.37 52.66 -63.63 -40.06 0.65 0.00 99.35 0.05 0.04 0.49 99.28 0.14 0.00 0.00 0.00 57 E H H 70.16 8.90 20.82 30.33 91.84 49.26 -65.58 -40.59 0.12 0.00 99.88 0.01 0.01 0.08 99.81 0.09 0.00 0.00 0.00 58 I H H 2.07 26.75 15.41 42.96 91.00 49.56 -63.47 -43.46 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 59 K H H 78.20 14.24 22.09 35.23 91.32 51.45 -61.78 -42.52 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 60 K H H 117.38 2.36 26.60 27.85 91.67 49.61 -64.27 -41.77 0.09 0.00 99.91 0.00 0.00 0.07 99.92 0.00 0.00 0.00 0.00 61 A H H 10.08 15.61 21.25 37.66 91.51 49.99 -63.90 -42.98 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.00 0.00 0.00 0.00 62 I H H 1.95 26.75 17.35 44.77 91.36 48.95 -64.13 -43.14 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 63 T H H 54.51 10.93 20.28 31.32 91.86 50.63 -63.27 -42.05 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 64 E H H 124.67 2.67 22.81 25.03 92.06 48.51 -65.69 -40.38 0.10 0.00 99.90 0.00 0.00 0.09 99.88 0.03 0.00 0.00 0.00 65 L H H 39.52 16.53 18.16 34.09 95.65 41.92 -75.17 -39.51 0.77 0.00 99.23 0.01 0.02 0.75 99.16 0.06 0.00 0.00 0.00 66 Y H H 29.06 19.54 15.65 35.24 101.23 24.45 -106.69 -8.72 6.24 0.02 93.74 0.23 0.58 5.23 93.82 0.12 0.01 0.00 0.01 67 G C T 50.33 3.26 22.73 26.13 94.54 -120.96 67.96 29.84 99.55 0.17 0.28 33.30 22.68 43.62 0.14 0.10 0.00 0.11 0.05 68 S C C 15.77 19.09 12.95 32.00 131.06 125.81 -119.35 158.03 94.36 5.58 0.06 74.44 19.54 0.47 0.01 0.05 0.00 5.01 0.48 69 K C C 118.79 3.88 25.09 29.19 114.77 -124.07 -98.51 128.26 77.57 22.39 0.05 75.45 1.64 0.13 0.01 0.03 0.00 22.22 0.53 70 V E E 13.66 24.51 11.11 35.25 113.98 -144.50 -84.69 127.16 16.42 83.55 0.03 17.04 0.26 0.02 0.01 0.02 0.00 82.09 0.56 71 K E E 116.06 3.91 22.35 26.72 98.55 -175.57 -86.67 -34.66 12.87 87.11 0.02 8.27 4.56 0.22 0.00 0.02 0.00 86.81 0.11 72 K E E 94.34 5.08 24.06 29.96 139.07 -0.56 -154.06 151.46 2.50 97.49 0.01 1.90 0.41 0.03 0.00 0.00 0.00 97.62 0.03 73 V E E 22.58 23.69 12.85 35.83 125.13 -163.36 -129.35 131.52 1.68 98.32 0.01 1.58 0.07 0.00 0.00 0.00 0.00 98.32 0.02 74 N E E 60.15 7.20 24.59 32.14 127.27 -174.14 -125.34 147.11 1.39 98.60 0.00 1.23 0.06 0.01 0.00 0.00 0.00 98.69 0.01 75 T E E 41.66 18.44 14.84 32.69 124.86 -157.01 -119.53 136.66 1.60 98.40 0.01 1.46 0.07 0.01 0.00 0.00 0.00 98.45 0.02 76 L E E 58.10 8.82 18.42 28.70 124.42 -169.58 -121.71 136.81 1.68 98.31 0.01 1.44 0.11 0.01 0.00 0.00 0.00 98.39 0.04 77 I E E 96.63 7.48 14.22 23.30 114.49 -140.43 -101.15 123.82 6.81 93.16 0.03 5.65 0.71 0.10 0.01 0.02 0.00 93.35 0.16 78 N E E 57.82 7.31 10.43 19.69 129.55 170.43 -121.13 170.69 44.50 55.41 0.09 40.44 1.89 0.29 0.02 0.06 0.00 56.95 0.36 79 K C T 179.18 0.59 12.13 11.98 91.73 -91.64 -62.89 -27.75 98.39 1.08 0.53 20.68 24.49 53.23 0.06 0.51 0.00 0.88 0.15 80 H C T 153.34 1.36 12.05 13.61 98.20 42.42 -96.63 -0.26 98.83 0.69 0.48 20.66 23.10 55.05 0.05 0.48 0.00 0.55 0.10 81 G E E 21.96 5.87 15.86 23.63 139.01 -61.96 141.96 -173.16 43.37 56.51 0.11 34.84 6.36 0.78 0.01 0.11 0.00 57.41 0.49 82 K E E 74.47 11.97 14.81 27.67 122.61 -49.49 -104.86 140.84 11.51 88.49 0.01 10.69 0.33 0.02 0.00 0.00 0.00 88.83 0.13 83 K E E 59.31 12.96 19.34 32.89 129.97 -171.23 -129.73 146.19 1.27 98.73 0.00 1.12 0.05 0.00 0.00 0.00 0.00 98.80 0.02 84 A E E 9.07 19.74 18.93 39.02 124.64 -152.42 -117.29 139.38 0.42 99.58 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.61 0.01 85 Y E E 44.94 13.86 24.66 38.86 122.02 -160.41 -115.79 132.27 0.28 99.72 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.74 0.00 86 V E E 5.91 23.79 19.46 43.50 123.80 -168.32 -120.12 133.78 0.52 99.48 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.53 0.01 87 S E E 30.58 11.27 26.59 38.48 120.66 -155.47 -106.57 137.53 1.62 98.37 0.00 1.50 0.03 0.00 0.00 0.00 0.00 98.43 0.03 88 F E E 17.55 22.87 15.20 37.92 119.60 -142.74 -96.41 139.14 13.53 86.44 0.03 13.06 0.43 0.03 0.01 0.01 0.00 85.10 1.35 89 A C C 35.70 9.58 18.39 29.18 116.23 -112.56 -71.99 154.26 88.19 11.53 0.28 84.18 3.06 0.53 0.06 0.19 0.00 11.25 0.74 90 D C T 108.20 3.82 17.08 22.31 94.96 -100.99 -65.73 -21.00 91.91 1.66 6.43 7.74 18.05 66.21 1.07 5.27 0.00 1.12 0.55 91 E C T 131.92 3.93 16.67 21.35 98.37 57.66 -84.11 -3.28 90.62 1.28 8.10 9.05 14.80 66.76 1.62 6.43 0.00 0.84 0.50 92 G C C 21.77 13.11 14.81 28.01 119.95 84.75 -83.86 -15.54 84.06 5.78 10.16 46.70 30.89 7.14 3.79 5.68 0.03 2.58 3.20 93 A C C 48.46 6.84 22.28 29.36 112.01 -87.95 -85.65 138.62 84.03 5.48 10.49 74.45 5.96 3.25 8.98 1.97 0.00 2.42 2.97 94 A H H 18.14 21.64 15.31 36.15 93.47 -122.96 -60.78 -39.09 9.15 0.34 90.51 3.51 1.93 4.55 84.82 4.81 0.06 0.24 0.09 95 L H H 70.99 10.73 20.30 31.13 92.19 53.83 -63.89 -39.41 5.01 0.32 94.66 1.67 0.76 2.75 90.19 4.26 0.03 0.29 0.05 96 E H H 101.84 3.55 23.21 26.38 92.01 50.39 -65.71 -40.32 3.50 0.35 96.15 1.63 0.55 1.52 91.70 4.23 0.01 0.32 0.04 97 I H H 13.42 18.53 17.10 36.06 92.03 50.01 -64.51 -42.94 3.48 0.58 95.94 1.56 0.62 1.63 92.90 2.66 0.02 0.55 0.07 98 A H H 14.56 18.36 15.62 34.17 91.59 51.68 -62.87 -41.42 5.61 0.68 93.70 2.24 0.84 2.83 90.74 2.59 0.04 0.62 0.11 99 A H H 69.33 3.20 19.26 22.67 92.03 51.67 -65.43 -36.61 13.24 0.65 86.12 2.75 1.48 9.15 81.36 4.50 0.09 0.51 0.17 100 K H H 117.30 5.30 17.88 24.18 92.43 53.75 -69.64 -29.61 23.15 0.63 76.23 2.74 2.25 18.14 72.03 4.07 0.15 0.41 0.21 101 I H H 37.81 17.45 12.50 29.43 97.11 47.24 -88.95 -7.98 48.31 1.14 50.55 4.07 5.88 37.70 47.09 3.90 0.22 0.64 0.49 102 G C T 48.66 4.30 17.45 22.59 100.31 -113.11 79.81 14.35 94.27 2.00 3.74 20.03 10.93 64.01 2.16 1.14 0.00 1.25 0.49 103 T C C 62.57 10.51 12.30 23.61 108.16 122.97 -91.37 79.55 93.63 4.86 1.51 88.20 2.64 3.04 0.78 0.47 0.00 2.98 1.89 104 I C C 81.94 11.25 14.72 26.18 111.49 108.42 -98.73 113.01 99.26 0.72 0.02 99.24 0.17 0.04 0.01 0.00 0.00 0.48 0.06