# 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 N C C 86.27 4.82 12.49 18.64 104.95 -155.70 -86.26 94.58 99.24 0.50 0.26 99.13 0.21 0.07 0.20 0.02 0.00 0.19 0.19 1 V H H 96.60 2.55 10.65 14.38 94.63 141.56 -67.72 -33.61 12.60 0.20 87.20 8.74 0.86 3.51 85.83 0.86 0.01 0.09 0.10 2 I H H 105.56 2.08 10.87 13.73 92.70 53.41 -66.40 -40.27 3.25 0.04 96.70 1.11 0.49 1.68 95.97 0.71 0.01 0.02 0.01 3 Q H H 101.12 2.31 11.96 15.12 92.10 52.24 -65.04 -40.17 1.06 0.02 98.92 0.37 0.16 0.53 98.35 0.58 0.00 0.01 0.00 4 D H H 82.85 1.89 13.02 15.20 92.02 50.87 -65.28 -39.94 0.55 0.02 99.44 0.17 0.08 0.29 99.00 0.44 0.00 0.01 0.00 5 L H H 89.84 1.99 13.29 15.53 91.98 50.90 -64.72 -41.67 0.40 0.01 99.58 0.08 0.05 0.25 99.30 0.30 0.00 0.01 0.00 6 Y H H 120.21 2.69 13.29 16.72 92.33 49.96 -64.88 -41.31 0.71 0.03 99.26 0.10 0.07 0.52 99.05 0.23 0.00 0.02 0.00 7 L H H 88.56 2.67 13.44 16.86 91.83 50.10 -64.41 -40.98 0.71 0.02 99.27 0.11 0.08 0.52 99.08 0.19 0.00 0.01 0.00 8 R H H 140.27 1.56 14.63 15.76 91.98 51.12 -64.67 -40.30 0.88 0.01 99.11 0.12 0.07 0.69 98.70 0.40 0.00 0.01 0.00 9 E H H 100.79 2.36 13.52 16.38 92.27 50.41 -65.25 -39.76 2.10 0.02 97.88 0.20 0.14 1.82 96.94 0.87 0.01 0.01 0.01 10 L H H 85.19 4.20 11.62 17.15 92.83 50.60 -66.04 -38.56 4.27 0.03 95.70 0.42 0.31 3.48 93.30 2.44 0.01 0.02 0.01 11 K H H 132.53 2.48 12.37 15.82 92.45 54.62 -66.94 -31.42 18.49 0.12 81.40 1.41 1.11 15.71 74.92 6.64 0.07 0.06 0.08 12 D H H 114.30 1.06 12.15 12.95 93.26 57.75 -74.80 -17.08 48.67 0.19 51.14 2.89 3.06 41.57 45.35 6.86 0.04 0.08 0.14 13 T C T 92.38 3.11 9.40 13.97 99.92 59.19 -90.29 6.27 62.97 1.67 35.36 17.74 13.40 33.45 26.20 7.31 0.13 0.64 1.12 14 K C C 144.40 2.74 9.21 13.99 112.81 113.55 -84.89 129.35 90.73 4.61 4.66 58.73 28.24 3.30 3.38 1.28 0.00 1.49 3.58 15 L C C 115.08 3.43 8.60 14.02 115.60 -124.41 -80.02 143.46 95.50 3.10 1.40 86.96 7.18 1.15 0.89 0.46 0.00 1.35 2.01 16 A C C 89.93 1.37 11.34 13.54 114.86 -102.61 -74.28 144.40 97.95 1.61 0.44 92.25 5.40 0.41 0.26 0.15 0.00 0.82 0.70 17 P C C 103.68 3.29 9.14 14.54 113.83 -104.22 -66.26 145.57 94.98 4.14 0.88 90.80 3.30 0.68 0.52 0.29 0.00 1.75 2.66 18 S C C 69.96 4.77 8.11 14.82 115.76 -118.34 -82.24 146.77 90.97 7.96 1.07 85.62 4.32 0.60 0.68 0.33 0.00 2.56 5.90 19 T C C 89.99 1.78 12.06 14.29 119.06 -122.40 -89.59 156.39 94.67 3.09 2.24 88.85 4.98 0.87 1.69 0.50 0.00 1.40 1.71 20 L H H 119.53 3.58 8.71 14.07 93.84 -108.84 -61.59 -34.94 27.31 0.98 71.71 8.87 5.28 12.68 42.59 29.60 0.07 0.57 0.34 21 Q H H 144.50 0.83 11.63 12.01 93.95 58.17 -68.61 -32.70 26.82 0.94 72.25 6.38 4.55 14.60 41.50 32.01 0.10 0.56 0.31 22 D H H 93.75 2.74 10.22 14.18 97.71 53.70 -80.23 -15.35 23.90 1.62 74.47 10.08 4.68 9.23 42.55 31.93 0.06 1.02 0.45 23 A H H 53.72 7.04 7.49 15.77 99.97 69.22 -80.94 -8.92 39.96 2.96 57.08 22.36 7.78 11.92 41.80 13.20 0.10 1.55 1.28 24 E C T 140.88 2.07 9.56 13.08 106.30 100.65 -81.04 102.81 58.94 4.57 36.49 17.51 9.79 32.12 27.98 7.66 0.31 2.19 2.45 25 G C T 62.11 1.04 10.75 11.82 102.60 19.94 78.47 -0.52 79.21 1.20 19.59 16.05 14.31 49.17 13.14 6.06 0.02 0.60 0.65 26 N C C 116.88 2.19 8.87 12.42 110.25 90.38 -94.00 114.01 89.74 2.51 7.75 36.08 24.73 29.73 2.87 4.20 0.00 1.30 1.08 27 V C C 111.96 2.76 7.25 12.06 115.40 112.30 -94.93 130.69 87.18 10.69 2.13 64.52 18.16 4.19 0.87 1.29 0.00 5.41 5.56 28 K C C 143.51 2.14 8.91 12.89 118.22 -143.95 -97.76 138.44 88.59 11.09 0.32 77.81 10.06 0.58 0.13 0.20 0.00 8.39 2.83 29 P C C 117.17 1.30 10.60 12.88 113.02 -107.45 -70.93 141.27 89.72 10.01 0.27 88.04 1.80 0.39 0.10 0.14 0.00 6.35 3.18 30 W C C 159.11 5.84 5.98 13.42 117.00 -131.15 -91.86 138.35 94.10 5.67 0.23 90.69 3.11 0.38 0.09 0.11 0.00 2.23 3.37 31 N C C 128.84 0.96 11.24 12.50 118.02 -157.31 -111.48 132.35 97.41 2.51 0.08 92.05 5.26 0.20 0.03 0.04 0.00 0.88 1.54 32 P C C 104.48 3.14 8.11 13.51 115.89 -112.32 -69.35 145.44 99.46 0.47 0.07 93.82 5.45 0.25 0.02 0.04 0.00 0.21 0.22 33 P C C 90.23 4.14 7.33 13.60 115.78 -105.51 -67.72 150.94 99.28 0.46 0.26 95.33 3.21 0.77 0.07 0.14 0.00 0.17 0.31 34 Q C C 153.42 0.70 10.98 11.49 114.64 -101.01 -72.76 145.14 98.48 1.30 0.22 87.80 9.86 0.50 0.08 0.11 0.00 0.34 1.31 35 K C C 162.46 1.91 8.81 12.69 114.42 -102.93 -70.88 139.91 99.37 0.56 0.08 90.25 8.95 0.17 0.03 0.03 0.00 0.20 0.37 36 P C C 83.75 5.81 6.72 14.35 116.69 -107.72 -66.51 150.15 99.33 0.52 0.15 97.52 1.55 0.32 0.05 0.06 0.00 0.18 0.33 37 N C C 136.53 0.70 12.15 12.27 114.82 -107.33 -77.39 142.17 97.02 2.77 0.21 90.22 5.81 0.33 0.10 0.08 0.00 0.62 2.83 38 L C C 124.17 3.68 7.76 13.66 115.81 -108.02 -75.67 141.57 99.21 0.56 0.23 93.38 5.67 0.21 0.11 0.07 0.00 0.21 0.34 39 P C C 80.74 5.25 7.14 14.27 115.18 -107.48 -66.77 150.31 94.53 0.73 4.74 91.01 2.30 2.19 1.99 1.71 0.00 0.31 0.47 40 E C C 167.75 0.63 10.40 10.51 104.51 -124.27 -78.82 34.95 81.92 2.54 15.54 55.65 18.93 7.66 6.86 8.06 0.00 1.09 1.74 41 L C C 118.92 2.67 7.80 12.23 117.69 74.93 -100.29 140.56 70.46 4.39 25.15 45.69 16.24 9.03 10.34 14.42 0.02 2.36 1.91 42 E C C 145.11 1.95 9.22 12.66 109.74 -128.55 -87.52 126.40 71.56 4.39 24.05 54.51 8.14 8.85 9.77 14.34 0.00 2.70 1.68 43 L C C 107.88 4.35 7.67 13.91 113.96 -144.80 -93.86 131.80 75.91 4.28 19.81 51.74 12.24 11.87 9.63 10.16 0.02 2.42 1.92 44 Q C C 138.85 1.71 10.52 13.25 107.66 -159.51 -94.14 76.62 82.01 3.13 14.86 51.40 19.91 10.81 9.05 5.65 0.02 1.42 1.74 45 G C C 38.25 3.44 11.80 16.45 121.59 -15.17 106.05 174.54 72.17 1.36 26.47 38.91 27.77 5.08 25.11 1.94 0.01 0.43 0.75 46 P H H 93.63 3.39 10.65 15.41 94.89 -64.68 -63.69 -34.45 12.86 0.18 86.96 5.62 2.58 5.56 83.34 2.73 0.01 0.09 0.06 47 E H H 135.63 1.19 13.90 14.50 93.85 55.18 -66.46 -37.47 6.04 0.15 93.81 2.50 1.05 3.06 90.48 2.74 0.02 0.10 0.04 48 A H H 50.67 3.74 12.23 17.62 92.94 52.53 -65.95 -38.75 3.09 0.12 96.80 1.50 0.54 1.43 93.86 2.55 0.01 0.09 0.02 49 L H H 71.67 5.86 11.26 18.82 92.41 52.20 -65.58 -39.53 1.92 0.08 98.00 0.86 0.33 0.94 96.55 1.25 0.00 0.06 0.01 50 K H H 121.44 1.89 14.96 16.71 92.37 52.88 -64.86 -40.34 1.44 0.05 98.51 0.50 0.20 0.79 97.66 0.80 0.00 0.04 0.01 51 A H H 60.12 2.02 14.16 16.31 92.15 51.21 -64.77 -40.26 1.62 0.04 98.34 0.37 0.17 1.04 97.31 1.06 0.00 0.03 0.00 52 Y H H 101.30 6.80 11.06 19.32 92.75 51.03 -66.83 -37.12 2.69 0.03 97.27 0.46 0.25 1.92 95.74 1.59 0.01 0.02 0.01 53 T H H 86.83 3.95 12.25 17.59 92.57 55.67 -69.91 -25.87 9.24 0.07 90.69 0.93 0.72 7.49 89.51 1.25 0.04 0.03 0.04 54 E H H 152.39 0.90 13.28 13.21 96.02 51.54 -87.55 -4.95 41.42 0.33 58.25 4.01 4.02 32.68 57.17 1.71 0.07 0.12 0.21 55 Q C C 94.46 5.97 7.89 15.80 116.38 106.12 -78.41 142.19 86.36 2.43 11.21 40.89 37.68 7.08 10.72 1.43 0.02 0.87 1.33 56 N C C 129.32 1.24 12.03 13.81 113.05 -122.23 -84.36 135.88 84.75 7.42 7.83 75.32 5.79 3.03 7.04 1.51 0.00 4.80 2.51 57 V C C 94.40 6.43 7.77 15.79 115.00 -137.07 -92.31 130.60 73.24 13.78 12.98 64.32 4.86 3.01 11.92 2.25 0.00 9.98 3.64 58 E C C 123.97 3.00 10.75 15.33 116.32 -156.24 -100.13 133.29 68.29 15.14 16.57 59.38 4.74 2.98 16.06 2.10 0.01 11.08 3.66 59 T C C 89.68 3.78 9.69 15.05 110.77 -156.55 -92.77 122.05 56.44 9.30 34.26 46.20 5.25 4.35 31.82 3.35 0.01 7.54 1.47 60 A H H 73.69 3.04 10.11 14.56 100.32 86.38 -72.83 -25.23 46.17 5.18 48.66 32.77 6.98 7.35 42.73 5.19 0.04 4.00 0.94 61 H H H 134.68 2.31 10.63 13.95 98.32 54.51 -75.49 -27.14 42.14 4.66 53.20 29.39 6.76 7.63 45.85 5.91 0.05 3.44 0.96 62 V H H 91.59 3.54 10.07 15.01 98.37 56.34 -75.89 -30.58 39.60 4.54 55.86 29.20 6.20 6.07 49.27 5.06 0.04 3.22 0.95 63 A H H 69.49 3.40 10.03 14.94 100.30 59.32 -75.21 -26.81 45.75 3.90 50.35 33.90 6.11 6.60 45.91 3.98 0.02 2.59 0.91 64 K C H 138.02 2.50 10.29 14.04 101.23 54.27 -78.88 -14.15 51.09 3.72 45.19 36.55 7.11 7.94 40.89 4.14 0.02 2.28 1.06 65 E C C 132.01 2.51 10.20 14.04 103.71 55.58 -81.78 -1.32 56.87 3.59 39.53 39.81 7.78 9.29 35.42 4.40 0.02 2.10 1.17 66 S C C 74.35 3.38 8.92 13.88 106.80 60.93 -86.38 79.95 64.08 3.23 32.69 41.89 9.64 12.20 28.33 4.89 0.02 1.76 1.27 67 E C C 139.25 2.25 8.95 12.67 105.66 46.25 -86.32 63.65 70.22 3.00 26.77 43.48 12.01 14.68 21.24 5.59 0.02 1.50 1.47 68 E C C 148.47 1.62 8.97 11.90 108.90 74.55 -83.35 112.64 79.23 2.16 18.61 34.25 15.18 30.77 12.24 5.40 0.02 1.04 1.10 69 G C C 56.69 2.24 9.11 12.72 108.91 11.18 16.40 55.36 88.79 1.90 9.31 37.30 19.39 33.11 4.33 4.04 0.00 0.93 0.89 70 E C C 141.38 2.28 8.55 12.57 113.01 107.85 -91.17 129.78 91.21 3.74 5.05 62.03 21.07 8.04 2.35 2.60 0.00 1.80 2.10 71 S C C 83.43 2.41 8.51 12.65 115.63 -138.10 -90.86 142.40 91.87 4.35 3.78 67.79 18.70 5.23 2.00 1.75 0.00 2.14 2.39 72 E C C 144.58 1.89 9.57 13.04 115.61 -112.26 -83.16 138.36 92.88 3.21 3.91 76.27 14.53 2.02 2.97 1.09 0.00 1.70 1.41 73 P C C 97.34 3.69 8.23 14.01 113.80 -106.78 -69.34 144.56 86.29 3.65 10.05 78.00 4.60 3.81 6.95 2.99 0.00 2.18 1.46 74 I C C 120.17 3.15 8.02 13.14 114.79 -130.71 -90.52 136.37 73.37 5.00 21.63 60.56 7.10 5.60 14.22 7.47 0.01 2.85 2.20 75 E C C 143.07 2.16 9.05 12.80 113.45 -127.69 -87.35 134.31 57.55 4.35 38.10 39.59 8.82 8.83 19.04 19.67 0.02 2.83 1.21 76 E C C 134.39 3.15 9.14 14.14 111.91 -133.25 -90.90 128.67 55.00 4.16 40.84 35.18 9.02 10.63 19.90 21.39 0.02 2.68 1.18 77 D C C 93.64 4.07 9.73 15.44 111.06 -132.79 -97.31 113.46 56.78 3.28 39.94 39.62 7.86 9.05 19.38 21.01 0.01 2.00 1.07 78 W C H 162.20 4.45 9.86 15.82 100.60 -154.36 -83.00 -11.69 53.37 3.64 42.99 21.83 10.88 20.67 25.69 17.20 0.16 2.21 1.36 79 L C H 104.69 4.41 10.09 15.99 102.77 65.73 -91.00 21.88 51.76 7.07 41.17 22.35 10.53 19.41 25.70 14.90 0.30 4.69 2.12 80 V C C 88.52 4.41 10.27 16.39 115.02 116.69 -96.05 126.01 51.39 9.56 39.05 34.15 11.32 7.17 31.71 6.60 0.12 6.26 2.68 81 L C C 103.60 4.30 9.27 15.32 113.93 -142.20 -90.34 127.40 55.90 5.90 38.20 41.86 8.41 5.78 34.06 4.38 0.03 4.11 1.38 82 D C C 100.94 2.92 9.64 14.19 110.62 -126.57 -85.24 119.02 61.41 2.96 35.63 48.85 6.05 5.79 32.76 3.83 0.01 1.94 0.76 83 D C C 101.77 2.83 9.57 13.90 106.64 54.10 -80.79 70.86 57.67 1.96 40.37 45.42 5.88 6.05 36.64 4.26 0.01 1.16 0.60 84 A C C 74.30 3.14 9.05 13.80 100.44 64.83 -77.58 -13.20 55.30 1.61 43.09 42.40 6.38 6.33 38.94 4.50 0.01 0.92 0.51 85 E C C 128.11 2.85 8.96 13.36 102.82 62.56 -85.80 13.93 57.15 1.56 41.30 44.59 5.82 6.55 37.05 4.58 0.01 0.87 0.53 86 E C C 126.32 3.14 8.61 13.43 104.23 60.05 -84.32 25.86 58.33 1.37 40.30 43.82 7.06 7.20 36.07 4.60 0.01 0.73 0.51 87 T C C 99.17 2.40 8.64 12.57 104.86 61.98 -88.10 32.03 63.20 1.42 35.38 46.53 7.10 9.13 31.07 4.84 0.01 0.76 0.56 88 K C C 147.47 2.27 8.35 12.21 108.79 70.93 -89.83 111.55 68.80 1.94 29.26 49.31 8.08 10.96 24.52 5.24 0.01 1.04 0.84 89 E C C 139.05 2.41 7.34 11.50 111.61 98.17 -93.19 121.52 76.66 2.90 20.44 53.72 9.36 13.08 16.30 4.60 0.01 1.66 1.27 90 S C C 89.12 1.73 7.46 10.71 109.47 -125.52 -94.24 98.59 88.01 2.52 9.47 75.81 2.27 10.48 6.71 2.07 0.00 1.60 1.06 91 H C C 141.59 2.92 8.91 13.50 108.11 -140.04 -91.29 87.10 99.59 0.29 0.12 99.19 0.30 0.22 0.06 0.02 0.00 0.17 0.05