# 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 113.46 4.62 11.16 17.35 110.16 -147.13 -86.06 116.11 99.90 0.04 0.06 99.83 0.06 0.05 0.03 0.00 0.00 0.02 0.00 1 Q C C 121.45 2.65 9.89 13.99 109.50 -128.72 -80.47 119.68 75.97 0.52 23.51 70.75 0.86 4.02 22.93 1.00 0.00 0.21 0.24 2 R H H 162.55 1.82 9.79 12.65 98.16 -114.11 -72.37 -30.49 41.09 0.50 58.41 28.69 5.63 6.96 55.79 2.50 0.00 0.21 0.22 3 V H H 93.76 2.55 10.04 13.76 95.05 57.67 -69.24 -36.48 24.40 0.35 75.25 14.63 3.90 6.85 71.34 2.98 0.01 0.17 0.14 4 T H H 73.55 2.87 11.55 15.64 93.86 53.08 -66.81 -39.02 16.94 0.24 82.82 10.53 2.52 4.74 79.22 2.78 0.00 0.12 0.09 5 N H H 88.60 2.37 12.87 15.92 93.35 52.46 -66.27 -39.94 8.42 0.09 91.49 4.65 1.35 2.82 89.15 1.94 0.00 0.04 0.04 6 F H H 113.07 2.68 12.74 16.26 92.54 51.23 -65.08 -41.49 4.54 0.04 95.41 1.67 0.61 2.27 93.98 1.43 0.00 0.02 0.01 7 F H H 114.69 2.85 13.41 17.03 92.35 49.79 -65.70 -40.92 2.52 0.02 97.46 0.77 0.30 1.36 96.66 0.90 0.00 0.01 0.00 8 K H H 114.43 2.27 14.67 17.27 92.11 51.22 -64.60 -40.91 1.25 0.00 98.75 0.37 0.15 0.62 98.52 0.33 0.00 0.00 0.00 9 E H H 99.84 2.53 14.65 17.67 92.08 50.21 -64.99 -40.39 1.32 0.00 98.68 0.32 0.13 0.74 98.51 0.31 0.00 0.00 0.00 10 V H H 69.74 3.92 13.86 19.04 92.19 50.68 -64.60 -41.36 1.07 0.00 98.92 0.24 0.10 0.59 98.79 0.28 0.00 0.00 0.00 11 V H H 74.93 3.18 14.44 18.49 91.95 50.41 -64.36 -41.24 0.86 0.00 99.13 0.18 0.08 0.47 98.95 0.32 0.00 0.00 0.00 12 R H H 132.58 1.80 15.21 16.77 92.27 50.47 -64.85 -40.86 1.39 0.01 98.60 0.24 0.12 0.90 97.89 0.85 0.00 0.00 0.00 13 E H H 97.25 3.32 13.08 17.59 92.28 50.49 -65.36 -39.16 2.37 0.01 97.62 0.30 0.18 1.70 95.99 1.83 0.00 0.00 0.00 14 L H H 92.71 4.95 11.58 17.96 92.21 53.10 -67.56 -32.47 4.97 0.02 95.01 0.52 0.36 3.84 89.62 5.63 0.01 0.01 0.00 15 K H H 150.94 1.63 13.16 15.19 92.01 56.70 -71.10 -22.54 35.47 0.08 64.46 1.40 1.48 32.19 59.10 5.71 0.04 0.03 0.05 16 K C T 152.62 1.29 12.36 13.72 96.40 54.83 -89.91 -3.14 63.64 0.23 36.13 4.11 3.20 55.31 31.44 5.66 0.01 0.12 0.14 17 V C C 81.53 7.23 7.14 15.97 116.92 99.03 -88.37 136.21 86.22 11.15 2.63 74.32 9.50 1.92 2.42 0.65 0.00 7.00 4.19 18 S C C 85.16 1.62 12.63 15.25 122.51 -170.42 -115.44 148.70 75.36 23.91 0.73 72.18 2.80 0.71 0.58 0.21 0.00 14.91 8.61 19 W C C 176.74 4.42 10.02 16.50 114.86 -119.21 -89.61 131.19 95.31 4.60 0.09 86.37 9.09 0.22 0.05 0.03 0.00 3.62 0.62 20 P C C 58.61 8.46 8.32 18.32 116.69 -114.59 -69.16 153.18 98.54 1.28 0.17 95.90 2.64 0.24 0.09 0.04 0.00 0.75 0.32 21 N C C 102.36 1.38 13.74 14.64 118.58 -110.53 -77.29 163.19 97.63 1.65 0.72 94.99 2.30 0.30 0.61 0.08 0.00 0.39 1.31 22 R H H 178.98 1.50 10.41 12.96 92.21 -97.78 -58.55 -38.94 3.26 0.01 96.73 0.57 0.65 1.84 96.12 0.80 0.00 0.00 0.00 23 K H H 153.26 0.72 12.55 12.21 91.85 52.20 -65.12 -38.89 1.97 0.00 98.02 0.27 0.21 1.31 97.19 1.01 0.00 0.00 0.00 24 E H H 92.98 3.60 11.57 16.72 92.49 49.75 -66.95 -38.81 1.18 0.00 98.81 0.25 0.12 0.68 97.85 1.09 0.00 0.00 0.00 25 L H H 78.57 4.75 11.73 18.27 91.88 51.52 -63.78 -41.38 0.76 0.00 99.24 0.19 0.07 0.39 99.00 0.34 0.00 0.00 0.00 26 V H H 90.52 1.51 15.10 15.89 92.22 49.27 -64.63 -41.42 1.05 0.00 98.94 0.19 0.08 0.60 98.96 0.18 0.00 0.00 0.00 27 N H H 89.98 1.90 15.39 17.04 92.15 49.48 -65.17 -41.05 1.05 0.00 98.95 0.15 0.07 0.63 99.00 0.15 0.00 0.00 0.00 28 Y H H 99.58 5.58 13.42 20.63 92.39 49.99 -65.06 -41.57 0.57 0.00 99.43 0.09 0.04 0.30 99.47 0.09 0.00 0.00 0.00 29 T H H 71.56 3.21 15.39 19.37 91.82 49.98 -64.21 -41.38 0.28 0.00 99.72 0.05 0.02 0.14 99.75 0.05 0.00 0.00 0.00 30 A H H 65.18 1.57 16.73 17.19 92.13 49.57 -64.69 -41.32 0.14 0.00 99.86 0.02 0.01 0.08 99.87 0.03 0.00 0.00 0.00 31 V H H 76.91 2.95 15.66 19.18 92.20 48.89 -65.04 -41.73 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 32 V H H 66.59 5.15 14.22 20.89 91.79 49.44 -64.22 -42.21 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.01 0.00 0.00 0.00 33 L H H 98.16 2.00 16.59 18.19 91.74 49.10 -64.01 -41.73 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 34 A H H 62.48 1.61 16.58 17.24 91.75 49.60 -64.48 -41.79 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 35 T H H 64.43 3.47 15.01 19.48 92.00 49.30 -64.93 -41.48 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 36 V H H 75.69 3.64 14.92 19.47 91.90 49.72 -64.39 -41.57 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 37 A H H 64.48 1.56 16.11 16.80 91.74 49.86 -63.92 -41.79 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 38 F H H 124.20 1.47 15.90 16.41 92.13 49.28 -64.98 -41.86 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 39 F H H 109.01 3.03 14.38 18.23 92.04 49.57 -65.01 -41.16 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 40 T H H 72.29 2.62 14.44 17.65 91.92 50.62 -64.09 -41.24 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.02 0.00 0.00 0.00 41 V H H 91.90 1.31 15.90 15.96 92.00 49.38 -64.73 -41.80 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.02 0.00 0.00 0.00 42 F H H 118.07 1.81 15.26 16.70 92.14 49.42 -64.25 -42.05 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 43 F H H 108.11 3.12 13.95 18.05 92.07 49.47 -64.76 -41.23 0.15 0.00 99.85 0.01 0.00 0.11 99.84 0.03 0.00 0.00 0.00 44 A H H 60.97 2.21 14.63 17.14 91.76 50.75 -64.02 -41.41 0.38 0.00 99.61 0.02 0.02 0.30 99.59 0.07 0.00 0.00 0.00 45 V H H 93.42 1.27 16.02 15.93 92.10 49.34 -64.80 -41.70 0.81 0.01 99.18 0.05 0.04 0.64 99.14 0.12 0.00 0.01 0.00 46 I H H 94.68 2.10 15.15 17.21 92.19 48.81 -64.92 -41.87 1.18 0.01 98.81 0.12 0.08 0.87 98.70 0.23 0.00 0.01 0.00 47 D H H 74.71 3.56 14.00 18.70 92.04 50.04 -64.88 -40.77 2.44 0.01 97.55 0.31 0.16 1.75 97.45 0.32 0.00 0.01 0.00 48 L H H 96.87 1.97 15.28 17.15 92.07 50.37 -64.90 -40.78 1.97 0.00 98.03 0.21 0.15 1.40 97.81 0.42 0.00 0.00 0.00 49 G H H 39.23 1.85 15.60 17.09 92.00 50.75 -63.80 -41.77 2.46 0.01 97.53 0.36 0.21 1.66 97.20 0.56 0.00 0.00 0.00 50 I H H 96.23 2.00 15.52 17.33 92.17 48.91 -65.05 -41.36 2.19 0.01 97.80 0.33 0.17 1.44 97.39 0.66 0.00 0.00 0.00 51 S H H 50.87 3.69 13.87 18.92 91.72 51.18 -63.92 -40.63 1.88 0.01 98.11 0.30 0.14 1.20 97.73 0.62 0.00 0.00 0.00 52 Q H H 102.35 2.15 14.89 17.24 91.99 51.07 -64.54 -40.75 1.53 0.00 98.47 0.19 0.10 1.04 98.05 0.62 0.00 0.00 0.00 53 L H H 98.97 1.59 15.11 16.17 91.77 50.37 -64.26 -41.41 1.26 0.01 98.73 0.19 0.09 0.81 98.20 0.70 0.00 0.00 0.00 54 I H H 94.34 2.31 14.18 16.94 91.85 49.79 -64.66 -41.31 1.19 0.01 98.81 0.19 0.10 0.76 98.05 0.90 0.00 0.01 0.00 55 R H H 127.07 2.71 13.31 17.00 92.02 51.24 -64.40 -40.27 2.07 0.02 97.92 0.30 0.16 1.44 96.67 1.40 0.00 0.01 0.00 56 L H H 96.22 1.96 13.08 15.45 92.22 50.86 -65.29 -39.60 4.45 0.04 95.51 0.57 0.38 3.33 93.89 1.79 0.01 0.02 0.01 57 V H H 95.48 1.77 12.72 14.74 93.36 49.12 -68.54 -37.38 9.95 0.12 89.92 1.62 1.18 7.09 88.19 1.78 0.04 0.06 0.05 58 F H H 132.22 2.53 11.09 14.75 96.14 48.80 -79.14 -23.38 24.08 0.62 75.31 6.29 4.07 14.66 72.07 2.23 0.09 0.28 0.30 59 E H H 131.48 2.38 10.26 13.98 100.62 61.86 -79.40 -0.37 43.58 0.91 55.51 11.91 7.72 24.86 51.99 2.59 0.08 0.39 0.46 60 G C T 57.38 1.65 11.35 13.74 101.64 30.33 -0.29 0.34 69.03 0.59 30.38 15.98 12.97 39.93 26.90 3.59 0.02 0.23 0.38 61 G C C 52.92 2.72 10.31 14.57 105.39 -10.75 66.95 7.82 83.71 0.79 15.50 34.14 18.99 31.54 9.59 4.90 0.00 0.32 0.51 62 H C C 138.80 2.48 9.74 13.77 110.23 118.53 -91.56 114.19 83.88 1.48 14.64 52.25 16.93 14.76 8.08 6.40 0.00 0.67 0.91 63 H C C 129.32 3.53 8.88 14.32 113.16 -162.95 -95.98 123.40 82.45 1.76 15.79 54.72 14.38 13.36 8.02 7.68 0.00 0.87 0.97 64 H C C 132.97 3.13 8.93 13.81 111.48 -160.16 -95.86 117.88 80.82 1.56 17.62 54.03 13.21 13.52 8.29 9.30 0.00 0.79 0.85 65 H C C 131.82 3.06 8.38 13.26 111.53 -157.57 -94.22 118.06 77.90 1.24 20.86 49.69 12.86 15.22 8.61 12.29 0.00 0.61 0.72 66 H C C 139.30 2.49 8.21 12.38 108.66 -157.08 -89.77 89.57 75.99 1.04 22.97 42.52 14.26 19.28 7.82 14.99 0.00 0.49 0.63 67 H C C 143.81 2.14 7.64 11.41 108.06 76.04 -91.46 80.85 78.22 1.12 20.66 44.03 14.38 20.01 6.49 13.92 0.00 0.55 0.62 68 H C C 144.76 2.13 7.25 11.10 109.76 114.92 -92.88 99.56 87.28 0.86 11.86 70.97 4.52 13.05 4.12 6.40 0.00 0.47 0.47 69 H C C 145.18 2.50 9.67 13.81 108.85 -144.32 -92.02 104.34 99.73 0.06 0.21 98.96 0.35 0.48 0.07 0.09 0.00 0.03 0.02