# 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 94.03 7.05 12.90 21.10 112.93 -138.69 -84.21 137.05 99.83 0.06 0.11 99.73 0.09 0.07 0.07 0.01 0.00 0.02 0.01 1 A C C 64.35 4.46 11.40 17.29 104.23 -106.33 -69.94 -26.12 67.05 0.74 32.21 60.49 1.06 5.19 31.08 1.54 0.00 0.31 0.32 2 K H H 137.28 2.93 10.72 14.94 97.46 46.06 -69.78 -34.06 41.06 0.71 58.23 26.80 6.48 8.59 54.42 3.08 0.00 0.31 0.31 3 Q H H 121.47 2.06 12.19 14.95 96.15 54.55 -70.36 -35.89 28.09 0.51 71.40 16.74 5.02 7.58 66.69 3.52 0.01 0.24 0.20 4 S H H 57.02 3.53 12.78 17.53 96.12 53.13 -69.84 -37.06 24.30 0.45 75.25 16.22 3.53 5.63 71.23 3.00 0.00 0.21 0.18 5 M H H 82.01 6.57 12.80 20.65 93.86 53.66 -65.70 -39.99 10.54 0.18 89.28 6.60 1.70 2.79 87.38 1.39 0.00 0.08 0.07 6 K H H 114.66 3.41 15.60 19.85 92.66 52.14 -65.02 -40.67 5.28 0.08 94.64 2.90 0.78 1.79 93.68 0.79 0.00 0.03 0.03 7 A H H 54.12 2.86 16.55 19.80 92.02 50.58 -64.63 -41.30 3.26 0.03 96.71 1.52 0.41 1.26 96.25 0.55 0.00 0.01 0.01 8 R H H 108.82 5.73 17.15 23.70 92.22 50.31 -65.30 -40.52 2.02 0.01 97.97 0.84 0.23 0.83 97.77 0.32 0.00 0.00 0.00 9 E H H 72.90 9.62 16.72 27.16 92.06 50.80 -64.03 -41.22 1.37 0.01 98.62 0.55 0.15 0.57 98.56 0.18 0.00 0.00 0.00 10 V H H 77.46 3.74 19.71 23.51 91.80 50.02 -64.38 -41.90 0.65 0.00 99.34 0.20 0.06 0.29 99.37 0.08 0.00 0.00 0.00 11 K H H 112.58 3.38 21.03 24.34 91.76 49.78 -64.52 -41.45 0.40 0.00 99.60 0.10 0.03 0.19 99.63 0.06 0.00 0.00 0.00 12 R H H 73.45 12.78 18.56 31.42 91.98 49.82 -64.35 -41.80 0.30 0.00 99.70 0.06 0.02 0.16 99.71 0.05 0.00 0.00 0.00 13 V H H 50.69 9.99 19.36 30.11 91.59 50.08 -63.79 -41.85 0.27 0.00 99.73 0.04 0.02 0.15 99.74 0.04 0.00 0.00 0.00 14 A H H 55.86 2.69 23.25 24.81 91.30 50.16 -63.52 -42.04 0.31 0.00 99.69 0.04 0.02 0.19 99.71 0.04 0.00 0.00 0.00 15 L H H 51.23 8.13 20.85 29.91 91.83 49.73 -64.30 -41.97 0.37 0.00 99.63 0.04 0.02 0.24 99.64 0.06 0.00 0.00 0.00 16 A H H 15.32 16.60 16.49 33.84 91.67 50.74 -63.57 -41.64 0.24 0.00 99.76 0.02 0.01 0.16 99.75 0.05 0.00 0.00 0.00 17 D H H 82.10 4.05 21.93 26.04 91.51 51.02 -64.02 -40.82 0.24 0.00 99.76 0.02 0.01 0.16 99.74 0.06 0.00 0.00 0.00 18 K H H 119.81 2.30 22.57 23.82 91.76 49.31 -65.09 -41.35 0.49 0.00 99.51 0.03 0.02 0.39 99.46 0.10 0.00 0.00 0.00 19 Y H H 43.48 14.50 17.19 32.27 91.92 49.34 -65.21 -41.55 0.64 0.00 99.36 0.04 0.02 0.50 99.36 0.09 0.00 0.00 0.00 20 F H H 76.05 11.24 18.45 30.06 91.78 51.46 -63.40 -41.71 0.19 0.00 99.81 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 21 A H H 60.86 2.15 22.43 23.03 91.38 50.05 -63.73 -41.61 0.14 0.00 99.86 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 22 K H H 86.94 8.23 20.43 29.10 91.98 48.95 -65.32 -40.74 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 23 R H H 56.47 16.49 17.14 33.25 91.59 51.34 -63.44 -41.44 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 24 A H H 55.04 3.63 22.38 25.74 91.25 50.72 -63.73 -40.74 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 25 E H H 99.63 3.75 22.58 26.12 91.64 50.28 -64.59 -40.76 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 26 L H H 18.25 18.86 16.67 35.78 91.58 50.59 -63.87 -41.97 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 27 K H H 92.85 9.99 20.67 30.70 91.55 51.91 -62.60 -40.29 0.15 0.00 99.85 0.01 0.00 0.10 99.85 0.04 0.00 0.00 0.00 28 A H H 56.87 2.45 22.38 23.64 91.49 51.30 -63.97 -41.42 0.42 0.00 99.58 0.02 0.02 0.32 99.49 0.15 0.00 0.00 0.00 29 I H H 37.67 12.16 17.62 30.85 92.18 49.92 -65.31 -40.85 1.25 0.00 98.74 0.09 0.07 0.96 98.42 0.46 0.00 0.00 0.00 30 I H H 35.67 17.33 14.84 32.02 92.05 50.73 -67.18 -33.38 5.90 0.01 94.08 0.36 0.35 4.98 93.47 0.81 0.01 0.00 0.00 31 S H H 78.23 2.88 18.91 21.98 93.32 54.51 -77.28 -17.93 26.91 0.06 73.02 1.32 2.57 22.59 72.46 0.97 0.04 0.02 0.04 32 D C C 76.28 5.06 15.13 21.52 106.92 63.73 -103.43 93.93 88.83 0.38 10.79 60.92 15.24 11.83 9.92 1.61 0.00 0.12 0.34 33 V C T 78.03 11.67 10.69 22.77 95.73 162.25 -70.96 -17.90 68.72 0.55 30.74 19.49 8.13 41.30 10.02 20.37 0.00 0.26 0.42 34 N C T 129.07 1.34 15.87 16.85 95.22 65.03 -79.54 -3.04 70.36 0.40 29.23 13.50 10.54 46.24 8.36 20.84 0.00 0.19 0.33 35 A C C 56.74 7.53 11.39 20.39 104.62 80.16 -82.98 15.26 73.32 0.68 26.00 37.01 16.43 19.88 6.25 19.59 0.00 0.28 0.58 36 A C C 55.36 9.38 10.95 21.11 114.39 94.27 -92.03 148.60 93.46 0.53 6.01 53.40 33.04 7.27 2.88 2.69 0.00 0.16 0.55 37 S C C 58.24 3.33 15.59 19.37 118.95 -97.23 -82.19 162.04 97.26 0.36 2.38 84.15 11.23 1.89 1.77 0.51 0.00 0.11 0.33 38 D H H 101.36 4.54 12.84 19.15 93.50 -106.15 -61.07 -37.51 5.55 0.02 94.42 1.74 1.63 2.16 93.86 0.59 0.00 0.01 0.01 39 E H H 131.74 1.45 16.26 17.09 92.33 52.42 -64.69 -40.63 2.22 0.01 97.77 0.37 0.27 1.36 97.43 0.57 0.00 0.00 0.00 40 D H H 62.34 6.97 15.89 24.17 92.33 48.79 -66.28 -40.16 1.49 0.01 98.50 0.40 0.16 0.79 98.01 0.63 0.00 0.00 0.00 41 R H H 54.06 15.66 14.17 29.82 91.70 52.08 -63.24 -42.02 0.57 0.00 99.42 0.15 0.06 0.26 99.33 0.20 0.00 0.00 0.00 42 W H H 118.38 5.51 20.44 26.44 91.83 50.38 -63.73 -41.43 0.29 0.00 99.71 0.05 0.02 0.15 99.72 0.06 0.00 0.00 0.00 43 N H H 83.71 2.98 23.22 25.38 91.68 50.18 -64.33 -41.01 0.25 0.00 99.75 0.02 0.01 0.16 99.77 0.04 0.00 0.00 0.00 44 A H H 9.04 16.32 17.28 34.76 91.64 50.83 -63.46 -42.53 0.19 0.00 99.81 0.01 0.01 0.12 99.82 0.04 0.00 0.00 0.00 45 V H H 32.50 15.60 19.03 34.58 91.61 51.04 -62.82 -42.26 0.14 0.00 99.86 0.01 0.00 0.09 99.86 0.04 0.00 0.00 0.00 46 L H H 84.28 3.26 22.86 25.42 91.44 50.32 -63.65 -41.92 0.16 0.00 99.84 0.01 0.01 0.11 99.78 0.10 0.00 0.00 0.00 47 K H H 95.55 6.36 21.48 28.26 91.78 49.55 -64.77 -40.68 0.40 0.00 99.60 0.02 0.01 0.32 99.28 0.37 0.00 0.00 0.00 48 L H H 10.68 22.74 14.02 36.56 91.48 51.15 -65.05 -38.39 1.18 0.00 98.82 0.05 0.04 1.04 97.13 1.74 0.00 0.00 0.00 49 Q H H 98.03 9.22 18.58 28.33 91.08 56.77 -66.75 -25.75 14.06 0.00 85.93 0.25 0.36 13.84 83.74 1.80 0.01 0.00 0.00 50 T C T 101.99 1.74 20.24 21.07 94.40 53.16 -89.86 -6.78 54.48 0.04 45.49 1.34 2.17 49.76 44.53 2.16 0.01 0.01 0.03 51 L C S 28.52 19.25 8.83 27.31 117.11 109.06 -72.80 142.32 99.65 0.11 0.25 23.03 76.30 0.34 0.19 0.03 0.00 0.02 0.08 52 P C C 72.37 4.53 18.64 23.71 113.13 -103.31 -64.78 149.49 97.85 0.58 1.57 95.84 1.35 0.94 0.51 0.69 0.00 0.16 0.51 53 R C T 135.22 10.66 13.87 24.92 96.33 -115.23 -64.82 -27.36 76.10 0.73 23.17 17.86 16.60 40.67 2.11 21.88 0.00 0.33 0.53 54 D C T 92.26 5.27 18.19 24.27 102.18 61.28 -89.39 39.51 79.92 0.74 19.34 21.44 13.36 44.22 1.80 18.37 0.00 0.35 0.45 55 S C C 38.96 14.17 13.54 27.85 103.47 134.67 -90.70 23.18 81.79 1.00 17.20 50.72 18.22 10.59 2.25 17.01 0.00 0.42 0.79 56 S C C 37.73 8.48 17.04 26.89 119.58 118.34 -90.13 150.68 96.22 0.55 3.23 58.82 35.97 1.21 2.73 0.50 0.00 0.10 0.66 57 P H H 74.81 8.90 16.21 26.01 92.12 -116.22 -60.59 -32.92 41.04 0.11 58.86 3.45 3.97 32.50 54.08 5.83 0.04 0.04 0.09 58 S H H 55.40 6.16 18.60 25.52 92.26 58.24 -66.27 -35.56 34.38 0.09 65.53 3.48 2.72 27.26 61.22 5.18 0.03 0.04 0.06 59 R H H 73.69 12.43 17.72 30.47 92.11 56.29 -64.83 -39.90 11.06 0.13 88.81 4.22 1.90 5.06 81.40 7.29 0.02 0.06 0.05 60 Q H H 50.62 15.84 18.47 33.80 91.85 51.70 -64.56 -40.92 8.24 0.13 91.63 2.85 1.18 4.25 84.65 6.93 0.02 0.08 0.04 61 R H H 104.49 8.97 21.69 30.83 91.87 51.11 -65.19 -40.47 10.70 0.15 89.15 2.38 1.51 6.74 82.57 6.61 0.06 0.09 0.06 62 N H H 54.41 8.41 21.58 30.67 92.56 49.54 -67.95 -37.59 21.31 0.33 78.37 5.66 3.18 13.07 72.39 5.33 0.05 0.17 0.16 63 R H H 59.79 13.29 19.95 33.29 93.65 54.78 -65.45 -41.10 25.47 2.10 72.43 9.75 5.71 12.50 66.28 3.58 0.19 0.82 1.18 64 C H H 15.31 16.33 15.42 32.45 92.69 50.82 -65.30 -40.74 19.90 0.85 79.26 11.86 3.25 6.95 73.75 3.29 0.05 0.33 0.53 65 R H H 145.23 3.75 19.97 24.38 92.76 50.48 -66.40 -39.78 13.92 0.29 85.79 2.33 2.18 10.11 79.84 4.93 0.30 0.13 0.18 66 Q H H 95.65 7.29 18.03 25.99 96.36 43.67 -75.90 -37.67 18.94 0.21 80.85 0.97 2.54 16.38 75.60 3.88 0.38 0.08 0.16 67 T H H 48.65 10.82 15.10 26.85 100.46 24.50 -103.02 -13.00 27.15 0.21 72.65 1.36 4.57 21.84 70.15 1.65 0.20 0.06 0.18 68 G C S 51.49 3.53 17.90 22.14 94.85 -117.80 78.69 9.75 99.30 0.33 0.37 39.46 43.24 16.60 0.12 0.25 0.00 0.14 0.20 69 R C C 91.04 9.76 14.02 25.09 119.12 130.63 -95.67 137.88 98.69 1.13 0.17 68.19 29.73 0.73 0.05 0.11 0.00 0.36 0.83 70 P C C 80.05 5.74 19.61 25.75 108.36 -109.17 -66.42 148.11 96.18 1.37 2.45 54.96 24.98 15.86 0.43 2.24 0.00 0.54 1.00 71 H C C 80.33 13.13 17.56 30.16 112.62 0.65 -96.07 121.95 93.65 1.93 4.42 51.65 21.21 20.59 0.95 3.42 0.00 0.72 1.45 72 G C C 17.52 12.92 17.87 31.22 122.31 160.59 -112.82 -159.02 86.19 2.95 10.86 43.33 30.70 12.12 3.97 6.54 0.01 1.11 2.23 73 F C S 65.72 13.26 18.83 32.10 96.10 -72.85 -74.80 -21.60 75.64 7.50 16.86 20.48 37.15 18.99 8.95 6.42 0.19 2.58 5.25 74 L H H 32.18 17.78 13.93 31.39 95.81 66.26 -74.39 -18.27 37.05 14.73 48.22 15.17 11.99 13.26 32.06 11.06 1.51 3.24 11.70 75 R H G 148.97 4.53 17.42 23.47 92.97 68.40 -64.16 -39.34 14.43 0.30 85.27 1.57 1.70 10.52 31.09 54.80 0.04 0.19 0.09 76 K H G 132.36 3.71 17.87 22.45 94.28 46.05 -71.64 -36.23 14.00 0.18 85.82 0.90 1.32 11.15 32.99 53.39 0.07 0.10 0.07 77 F H G 59.49 13.91 14.79 29.03 98.57 28.30 -101.33 -8.70 17.03 0.18 82.80 1.01 1.89 13.39 35.00 48.46 0.07 0.09 0.09 78 G C T 39.32 5.72 21.66 28.24 94.46 -118.41 75.75 15.81 98.90 0.45 0.65 17.52 21.65 59.86 0.22 0.35 0.00 0.23 0.17 79 L C C 20.36 18.54 15.76 34.52 131.52 114.52 -120.14 155.27 86.03 13.09 0.88 52.02 32.59 1.17 0.54 0.32 0.00 3.22 10.14 80 S C C 23.57 10.59 22.48 34.09 120.42 -109.87 -76.98 160.37 94.80 4.50 0.70 91.83 2.61 0.28 0.58 0.11 0.00 1.26 3.34 81 R H H 71.32 17.52 18.05 34.97 91.78 -112.75 -59.30 -38.10 4.28 0.02 95.71 0.67 1.17 2.01 95.94 0.18 0.00 0.00 0.01 82 I H H 81.27 6.42 23.92 30.51 91.95 53.55 -64.11 -42.13 1.62 0.00 98.38 0.17 0.20 1.08 98.40 0.16 0.00 0.00 0.00 83 K H H 72.71 10.10 23.58 33.81 91.94 48.12 -65.86 -41.03 0.54 0.00 99.45 0.09 0.04 0.32 99.39 0.15 0.00 0.00 0.00 84 V H H 2.85 25.67 16.86 43.00 91.17 50.11 -63.18 -43.38 0.17 0.00 99.83 0.03 0.01 0.08 99.84 0.04 0.00 0.00 0.00 85 R H H 83.76 12.90 22.39 34.74 91.53 50.75 -62.68 -42.48 0.18 0.00 99.82 0.03 0.01 0.08 99.86 0.02 0.00 0.00 0.00 86 E H H 90.91 3.64 24.40 27.47 91.81 49.18 -64.22 -42.33 0.18 0.00 99.82 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 87 A H H 11.91 12.50 18.06 32.49 91.37 49.82 -63.78 -41.70 0.26 0.00 99.74 0.02 0.02 0.16 99.74 0.06 0.00 0.00 0.00 88 A H H 13.59 18.10 14.41 32.69 91.87 51.08 -63.44 -42.02 0.57 0.00 99.43 0.05 0.03 0.39 99.26 0.27 0.00 0.00 0.00 89 M H H 113.62 5.17 18.01 24.23 91.00 51.46 -65.57 -30.27 3.22 0.00 96.78 0.07 0.09 3.18 96.29 0.37 0.00 0.00 0.00 90 R C T 150.60 2.25 17.22 19.34 92.30 51.62 -85.79 -2.46 64.38 0.02 35.60 0.17 0.89 64.12 34.12 0.68 0.00 0.00 0.02 91 G C T 46.00 6.96 14.08 22.46 94.57 -111.89 78.70 13.14 99.45 0.01 0.54 0.91 2.82 95.85 0.34 0.06 0.00 0.01 0.01 92 E C S 101.09 6.05 17.41 24.78 94.52 128.11 -75.19 -23.75 99.65 0.26 0.09 23.96 74.59 1.12 0.03 0.04 0.00 0.08 0.17 93 I C S 18.30 20.87 11.56 31.92 113.71 35.23 -125.58 96.80 99.25 0.63 0.12 28.40 70.11 0.71 0.03 0.06 0.00 0.18 0.52 94 P C T 77.31 5.88 20.39 27.07 112.64 -136.47 -66.16 138.38 99.10 0.31 0.59 10.94 11.79 76.22 0.07 0.62 0.00 0.17 0.19 95 G C T 42.07 6.10 19.82 26.72 95.92 21.09 85.86 -3.17 98.16 0.94 0.90 9.86 11.04 77.14 0.11 0.92 0.00 0.65 0.28 96 L C C 27.55 21.81 10.76 31.55 114.89 132.65 -79.80 133.73 92.59 6.21 1.20 82.22 8.53 1.37 0.40 0.82 0.00 2.92 3.74 97 K C C 120.70 4.19 20.16 25.48 126.81 -170.87 -122.16 148.06 87.04 10.58 2.38 79.66 5.10 1.80 0.93 1.40 0.00 6.12 4.98 98 K C C 108.65 10.17 14.30 25.13 113.46 -106.00 -71.85 141.43 76.33 8.54 15.13 57.54 10.47 7.53 2.65 13.52 0.00 6.18 2.11 99 A C C 56.74 9.97 10.62 21.30 104.13 -123.73 -76.01 43.54 80.60 2.47 16.94 43.61 16.63 18.52 1.37 17.70 0.00 1.54 0.63 100 S C C 86.13 2.29 12.06 15.47 104.73 90.43 -91.63 13.95 84.55 1.76 13.69 64.95 3.81 15.42 1.57 12.57 0.00 1.10 0.57 101 W C C 146.84 7.57 11.29 19.95 103.88 82.70 -85.67 14.72 99.82 0.11 0.07 99.61 0.17 0.11 0.02 0.01 0.00 0.06 0.02