# 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 114.68 6.22 12.80 20.44 118.24 -157.85 -95.90 134.88 99.72 0.26 0.02 99.69 0.10 0.03 0.01 0.00 0.00 0.14 0.03 1 A C C 69.84 5.65 11.63 18.93 117.78 -142.31 -89.20 138.53 89.27 8.95 1.79 88.26 1.01 0.86 1.05 0.43 0.00 6.06 2.33 2 V C C 93.63 6.35 11.78 19.78 115.26 -122.60 -85.43 133.76 77.95 18.02 4.03 67.90 6.67 2.46 2.24 1.91 0.00 13.71 5.10 3 K C C 121.40 7.07 12.62 21.04 112.43 -144.80 -95.01 122.09 72.10 22.81 5.09 58.31 8.85 3.69 2.68 2.67 0.01 15.03 8.75 4 T C C 71.64 8.18 13.51 22.73 120.78 -166.76 -114.29 145.97 71.89 19.09 9.02 44.64 16.67 11.34 4.21 4.72 0.07 12.95 5.39 5 G C C 43.95 7.01 16.17 23.77 101.40 -102.05 80.47 4.10 73.98 13.93 12.09 38.97 21.07 15.34 6.02 5.66 0.10 9.48 3.36 6 I C C 69.45 10.66 12.47 24.08 117.48 123.12 -95.77 137.75 61.79 19.92 18.29 39.05 13.44 9.10 11.55 7.08 0.25 12.82 6.71 7 A C C 57.38 7.48 13.93 22.69 112.20 -136.40 -86.00 131.99 56.77 22.45 20.78 33.98 11.79 11.16 12.36 8.46 0.30 14.90 7.05 8 I C T 97.66 6.72 12.44 20.50 120.90 -148.28 -112.93 135.45 57.34 17.72 24.93 17.71 17.09 24.06 12.04 11.33 1.14 10.54 6.09 9 G C T 47.44 3.68 14.55 19.10 111.37 13.99 81.66 -120.75 69.08 6.10 24.82 17.95 20.72 31.87 8.70 14.44 0.20 3.64 2.48 10 L C T 113.29 4.32 13.27 18.54 95.58 10.92 -75.30 -20.07 70.45 4.96 24.59 12.35 18.50 40.16 7.43 16.17 0.18 2.88 2.33 11 N C T 73.02 8.96 10.22 20.11 100.50 52.97 -100.00 17.47 71.65 8.69 19.66 19.13 17.14 36.12 5.42 13.70 0.15 4.94 3.41 12 K C T 142.58 3.76 11.23 17.27 109.08 138.87 -62.25 123.58 85.37 5.69 8.94 9.63 10.65 64.64 2.64 6.33 0.03 3.68 2.40 13 G C T 60.73 1.59 13.64 15.50 95.32 11.72 84.03 -0.22 91.32 3.77 4.91 9.98 14.79 66.37 0.84 4.23 0.00 3.03 0.76 14 K C C 105.29 6.14 10.65 18.75 118.36 121.02 -88.69 140.36 80.41 16.92 2.67 55.46 20.97 4.22 0.82 2.01 0.00 12.43 4.09 15 K C C 147.52 2.53 14.53 18.32 113.52 -113.39 -77.59 135.71 56.42 42.38 1.20 50.23 3.80 1.06 0.71 0.59 0.00 27.65 15.96 16 V C C 68.83 12.15 9.05 21.29 118.86 -154.65 -102.15 135.90 68.73 30.35 0.93 61.28 5.78 1.19 0.45 0.54 0.00 25.62 5.13 17 T C C 79.77 4.83 13.34 19.61 119.29 -146.85 -103.35 139.75 71.67 27.48 0.85 63.59 6.44 1.19 0.36 0.51 0.00 24.19 3.71 18 Q C C 132.71 2.87 13.08 17.52 112.96 -108.89 -74.37 138.68 78.33 20.48 1.19 67.55 8.35 1.92 0.44 0.78 0.00 17.78 3.18 19 M C C 100.67 8.76 8.10 17.89 113.30 -121.58 -85.34 131.85 93.56 5.90 0.55 80.30 12.16 1.15 0.20 0.35 0.00 4.03 1.82 20 T C C 103.75 2.02 12.15 15.42 117.27 -149.39 -101.60 134.82 97.79 1.92 0.29 84.20 12.92 0.83 0.10 0.17 0.00 1.22 0.56 21 P C C 97.61 4.19 10.11 16.29 114.03 -106.48 -69.46 146.86 98.17 1.36 0.47 86.14 10.99 1.09 0.17 0.25 0.00 0.71 0.65 22 A C C 72.43 4.12 10.85 16.82 116.21 -108.10 -74.10 147.97 98.71 0.61 0.69 86.99 11.16 0.66 0.35 0.23 0.00 0.25 0.36 23 P C C 87.96 4.97 10.69 17.58 113.87 -102.96 -65.11 147.35 96.56 0.80 2.63 88.18 6.97 1.69 1.33 0.96 0.00 0.32 0.54 24 K C C 119.95 5.11 10.62 17.46 114.58 -113.89 -81.16 140.86 92.56 1.80 5.64 85.62 5.55 1.68 3.04 1.99 0.00 0.60 1.51 25 I H G 109.55 4.67 11.41 17.71 95.57 -119.66 -64.33 -32.56 44.81 1.43 53.76 22.17 7.88 15.12 11.25 42.22 0.00 0.80 0.57 26 S H G 66.45 5.66 11.45 18.58 96.74 62.49 -77.63 -14.35 42.89 1.10 56.01 15.49 8.00 19.53 12.01 43.91 0.01 0.63 0.43 27 Y H G 136.44 5.88 12.18 19.33 99.30 58.16 -92.33 2.48 44.28 1.46 54.26 20.51 10.49 14.00 12.65 40.93 0.01 0.78 0.62 28 K C C 109.37 6.95 11.31 19.75 114.05 99.69 -90.00 130.11 71.03 2.29 26.69 43.29 16.11 11.60 12.96 13.46 0.01 0.96 1.61 29 K C T 144.06 3.43 12.51 17.40 111.85 -136.18 -88.48 127.87 78.89 2.46 18.65 30.47 16.38 32.87 10.34 7.32 0.02 1.11 1.49 30 G C T 43.89 5.68 12.42 19.35 115.97 13.75 93.88 -166.71 82.27 1.56 16.17 25.74 21.64 35.71 7.29 7.93 0.01 0.71 0.96 31 A C C 68.73 5.35 12.13 18.83 111.52 -63.31 -81.88 135.19 81.45 2.98 15.58 55.01 14.87 11.19 8.34 7.28 0.00 1.35 1.96 32 A C C 69.10 6.41 11.13 18.97 105.41 -133.83 -79.83 75.27 83.53 2.80 13.67 56.51 16.51 10.14 8.52 5.27 0.00 1.22 1.82 33 S C C 53.80 5.66 11.48 18.64 121.47 -127.35 -96.52 158.70 85.66 2.13 12.20 56.93 22.09 6.41 8.90 3.38 0.00 0.75 1.53 34 N H H 126.21 1.72 13.14 15.60 94.05 -107.50 -63.79 -31.20 43.04 0.54 56.42 8.74 12.40 22.24 43.04 12.87 0.12 0.23 0.36 35 R H H 145.87 3.25 13.75 17.96 94.28 55.52 -70.87 -32.03 42.18 0.62 57.20 7.49 8.19 26.17 44.19 13.16 0.13 0.32 0.36 36 T H H 41.19 11.38 11.06 23.22 97.37 49.82 -78.53 -21.22 36.78 0.86 62.36 15.26 5.53 16.79 51.08 10.43 0.05 0.45 0.42 37 K H H 113.68 5.33 15.07 21.82 92.99 76.99 -62.81 -41.16 6.82 0.10 93.08 3.40 1.19 2.19 92.18 0.95 0.01 0.05 0.03 38 F H H 128.20 2.02 18.29 19.66 92.60 50.71 -65.20 -41.16 2.96 0.06 96.98 1.07 0.41 1.47 96.29 0.72 0.01 0.03 0.01 39 V H H 48.80 9.99 17.00 27.79 92.32 48.83 -65.56 -42.06 1.24 0.02 98.74 0.42 0.16 0.62 98.26 0.51 0.00 0.01 0.00 40 R H H 65.22 14.30 15.92 30.23 91.81 51.25 -63.72 -41.59 0.72 0.01 99.27 0.19 0.08 0.39 99.02 0.32 0.00 0.00 0.00 41 S H H 52.30 4.25 19.77 24.45 91.76 51.31 -64.31 -40.56 1.18 0.01 98.81 0.22 0.10 0.75 98.51 0.41 0.00 0.00 0.00 42 L H H 72.49 4.95 19.71 25.14 92.11 49.98 -65.28 -41.94 1.77 0.02 98.21 0.27 0.17 1.25 97.86 0.43 0.01 0.01 0.00 43 V H H 26.97 14.86 15.25 30.91 92.42 49.61 -65.63 -42.14 3.18 0.05 96.77 0.49 0.42 2.23 96.37 0.45 0.02 0.02 0.01 44 R H H 102.14 10.65 16.29 27.22 92.23 51.47 -64.35 -40.47 4.48 0.07 95.45 0.79 0.54 3.02 94.80 0.77 0.02 0.03 0.02 45 E H H 130.08 2.24 18.36 20.55 93.42 48.01 -68.20 -38.19 7.08 0.07 92.85 0.74 0.72 5.75 91.69 1.01 0.04 0.03 0.03 46 I H H 92.72 6.33 16.68 23.34 98.81 38.39 -83.80 -37.09 16.39 0.11 83.50 0.90 1.70 14.06 82.07 1.08 0.10 0.04 0.06 47 A H H 40.48 11.50 14.82 26.78 100.20 27.57 -97.19 -14.34 33.84 0.33 65.83 2.96 7.44 23.69 64.38 1.08 0.13 0.09 0.24 48 G C S 37.87 5.57 18.69 25.20 100.89 -117.94 84.56 5.57 97.86 0.62 1.52 35.63 39.78 22.58 0.71 0.70 0.00 0.28 0.32 49 L C C 55.51 13.36 15.02 28.71 121.82 82.78 -104.20 143.02 95.75 2.78 1.47 67.00 25.19 3.08 0.86 0.56 0.00 0.89 2.42 50 S C C 26.97 11.14 17.33 29.74 119.42 -120.05 -77.02 158.03 98.01 0.29 1.70 89.74 7.42 0.58 1.82 0.14 0.00 0.08 0.21 51 P H H 64.56 8.14 18.89 28.21 91.84 -110.40 -58.42 -36.40 10.54 0.04 89.43 1.87 1.68 6.68 88.34 1.38 0.02 0.01 0.03 52 Y H H 77.89 12.91 19.57 32.36 92.31 54.02 -65.04 -39.24 7.09 0.03 92.88 0.94 0.72 5.24 91.49 1.56 0.02 0.01 0.02 53 E H H 45.11 16.03 18.56 34.18 92.44 50.70 -65.77 -40.53 2.83 0.02 97.15 0.80 0.30 1.60 95.96 1.33 0.00 0.01 0.01 54 R H H 102.11 9.00 21.35 30.50 91.84 51.10 -64.73 -41.06 0.60 0.00 99.40 0.16 0.05 0.28 99.25 0.26 0.00 0.00 0.00 55 R H H 98.08 8.53 22.58 31.26 91.94 50.03 -64.83 -40.96 0.44 0.00 99.56 0.06 0.02 0.27 99.44 0.20 0.00 0.00 0.00 56 L H H 18.90 18.39 19.10 37.43 92.18 50.37 -64.54 -42.50 0.40 0.00 99.60 0.04 0.02 0.27 99.44 0.24 0.00 0.00 0.00 57 I H H 41.11 12.88 20.63 33.97 91.56 50.46 -63.59 -42.05 0.30 0.00 99.70 0.03 0.01 0.21 99.58 0.17 0.00 0.00 0.00 58 D H H 60.29 5.29 22.68 28.07 91.45 50.97 -63.83 -41.29 0.51 0.00 99.49 0.04 0.02 0.38 99.18 0.36 0.00 0.00 0.00 59 L H H 32.12 11.71 18.02 31.12 91.69 50.63 -64.39 -41.58 0.88 0.00 99.12 0.06 0.04 0.70 98.18 1.02 0.00 0.00 0.00 60 I H H 34.86 15.56 15.46 31.27 92.17 49.84 -66.01 -39.29 2.82 0.01 97.18 0.25 0.21 2.17 95.86 1.51 0.01 0.00 0.00 61 R H H 141.53 4.60 17.91 23.37 92.30 50.44 -67.88 -32.49 12.47 0.03 87.50 0.66 0.80 10.86 86.51 1.13 0.02 0.01 0.01 62 N H H 101.07 3.77 15.59 20.01 99.51 43.31 -94.45 -2.83 44.43 0.16 55.40 3.33 5.05 34.68 55.29 1.44 0.04 0.05 0.12 63 S C T 53.37 9.30 11.57 21.64 98.25 72.86 -81.75 -4.80 87.77 0.44 11.79 23.98 20.37 43.08 10.17 1.89 0.00 0.15 0.35 64 G C C 59.63 1.77 16.41 18.52 96.22 -126.88 74.23 9.20 97.88 0.33 1.79 40.29 26.35 31.43 0.67 0.94 0.00 0.14 0.20 65 E C C 68.06 10.65 10.80 22.80 107.97 131.84 -84.64 110.07 97.06 0.46 2.48 88.66 6.93 1.56 1.80 0.50 0.00 0.13 0.41 66 K H H 139.88 3.01 16.05 20.57 94.32 -171.54 -66.87 -34.38 11.22 0.05 88.73 4.88 2.81 3.20 88.35 0.72 0.00 0.01 0.03 67 R H H 132.14 3.24 19.57 22.90 92.01 54.63 -64.62 -41.02 2.99 0.01 97.00 0.64 0.38 1.75 96.60 0.63 0.00 0.00 0.00 68 A H H 10.80 17.06 14.60 32.44 91.84 50.03 -64.61 -42.17 1.31 0.01 98.69 0.37 0.13 0.68 98.11 0.69 0.00 0.01 0.00 69 R H H 71.91 13.66 17.28 31.00 91.54 51.75 -62.78 -41.78 0.53 0.00 99.47 0.14 0.05 0.25 99.25 0.29 0.00 0.00 0.00 70 K H H 114.33 2.13 24.09 24.57 91.84 50.12 -63.96 -42.19 0.52 0.00 99.48 0.11 0.04 0.27 99.44 0.13 0.00 0.00 0.00 71 V H H 39.54 7.91 20.68 29.86 91.66 49.32 -63.94 -42.74 0.61 0.00 99.39 0.10 0.05 0.36 99.33 0.16 0.00 0.00 0.00 72 A H H 4.77 20.28 13.54 34.61 91.23 50.91 -63.06 -42.53 0.76 0.00 99.23 0.12 0.07 0.44 99.27 0.10 0.00 0.00 0.00 73 K H H 95.28 8.43 17.26 26.51 91.79 50.79 -63.86 -40.28 0.80 0.00 99.20 0.10 0.06 0.49 99.22 0.13 0.00 0.00 0.00 74 K H H 152.27 1.10 19.37 18.82 92.20 49.27 -66.44 -39.01 1.27 0.00 98.73 0.06 0.06 1.04 98.59 0.24 0.00 0.00 0.00 75 R H H 120.23 6.56 16.80 24.25 97.46 38.06 -81.02 -37.92 3.76 0.00 96.23 0.08 0.17 3.56 95.89 0.30 0.01 0.00 0.00 76 L H H 51.01 12.27 12.44 25.39 101.50 25.83 -105.23 -16.24 11.66 0.03 88.30 0.53 1.52 9.25 88.38 0.26 0.02 0.01 0.02 77 G C S 50.53 2.19 17.49 19.73 98.68 -125.25 78.99 -3.72 99.42 0.19 0.39 31.91 60.53 7.05 0.18 0.15 0.00 0.07 0.12 78 S C S 47.38 3.40 18.11 21.96 135.67 24.03 -146.47 163.94 97.83 1.33 0.84 38.46 58.39 0.80 0.72 0.12 0.00 0.21 1.30 79 F H H 107.63 10.80 12.74 24.22 91.78 -107.44 -61.61 -36.35 5.44 0.01 94.54 0.82 2.28 2.14 94.37 0.37 0.00 0.00 0.01 80 T H H 99.18 1.32 19.23 19.19 91.62 53.00 -63.26 -41.72 1.88 0.00 98.12 0.15 0.21 1.34 97.94 0.35 0.00 0.00 0.00 81 R H H 109.70 4.14 19.26 23.82 92.09 47.08 -66.07 -39.66 0.65 0.00 99.35 0.10 0.06 0.42 99.04 0.38 0.00 0.00 0.00 82 A H H 6.75 18.52 12.29 31.64 91.06 52.02 -62.36 -43.14 0.24 0.00 99.76 0.04 0.02 0.13 99.69 0.13 0.00 0.00 0.00 83 K H H 104.36 6.08 20.81 27.59 91.70 50.76 -63.42 -41.46 0.14 0.00 99.86 0.02 0.01 0.07 99.86 0.04 0.00 0.00 0.00 84 A H H 56.75 2.13 22.60 23.04 91.43 50.01 -63.78 -42.48 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 85 K H H 64.23 11.20 19.43 31.07 92.19 49.11 -65.55 -40.82 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 86 V H H 24.29 16.58 16.40 33.27 91.76 50.55 -63.50 -42.35 0.08 0.00 99.92 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 87 E H H 108.15 2.33 22.82 23.94 91.40 50.16 -63.47 -41.81 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 88 E H H 99.02 3.28 21.61 24.48 91.61 49.45 -64.76 -41.59 0.15 0.00 99.85 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 89 M H H 28.75 15.96 16.13 32.69 92.08 50.34 -64.92 -40.86 0.22 0.00 99.78 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 90 N H H 71.85 8.18 19.09 27.97 91.52 52.32 -63.35 -40.07 0.26 0.00 99.74 0.03 0.01 0.16 99.77 0.03 0.00 0.00 0.00 91 N H H 97.86 1.88 21.33 21.78 92.05 50.22 -65.52 -40.16 0.35 0.00 99.65 0.03 0.02 0.23 99.68 0.04 0.00 0.00 0.00 92 I H H 60.87 7.42 18.38 27.00 92.15 49.65 -64.86 -42.79 0.30 0.00 99.70 0.04 0.02 0.18 99.71 0.06 0.00 0.00 0.00 93 I H H 44.56 10.40 15.93 27.74 92.02 48.91 -64.21 -42.34 0.37 0.00 99.63 0.06 0.03 0.20 99.63 0.08 0.00 0.00 0.00 94 A H H 50.47 3.09 16.82 20.53 91.55 50.63 -63.45 -40.93 0.70 0.00 99.30 0.09 0.04 0.43 99.25 0.19 0.00 0.00 0.00 95 A H H 54.87 2.62 14.97 18.22 91.87 51.08 -65.18 -39.44 2.36 0.00 97.63 0.24 0.16 1.68 97.32 0.61 0.00 0.00 0.00 96 S H H 51.58 6.12 11.65 19.49 92.52 52.14 -67.28 -35.06 8.84 0.02 91.14 0.82 0.63 6.80 90.52 1.20 0.01 0.00 0.01 97 R H H 153.35 2.90 11.08 15.42 93.36 54.24 -70.17 -27.62 29.59 0.17 70.25 4.26 3.10 22.01 68.80 1.64 0.03 0.05 0.11 98 R C H 176.18 1.19 10.53 12.15 97.30 57.91 -78.33 -13.52 61.29 0.46 38.25 28.28 1.63 29.10 38.91 1.62 0.00 0.16 0.29 99 H C C 136.77 3.01 10.29 14.98 105.26 86.64 -83.14 60.94 99.94 0.02 0.04 99.80 0.08 0.08 0.02 0.00 0.00 0.01 0.00