#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y0h s PRO 5 N 0.00 1.62 0.03 4.33 0.02 -1.17 -3.96 135.00 135.86 1y0h s PRO 5 Ca 0.00 0.62 -0.03 0.00 0.02 0.00 0.00 61.00 61.61 1y0h s PRO 5 Cb 0.00 -1.87 -0.02 0.00 0.02 0.00 0.00 34.50 32.64 1y0h s PRO 5 CO 0.00 -1.94 0.04 0.54 -0.33 0.00 0.00 177.00 175.31 1y0h s VAL 6 N -3.11 0.12 0.20 3.83 0.11 -0.51 -4.40 120.40 116.65 1y0h s VAL 6 Ca 0.62 -1.02 0.04 0.00 -2.93 0.00 0.00 61.98 58.70 1y0h s VAL 6 Cb -0.16 -0.63 -0.05 0.00 -1.53 0.00 0.00 36.38 34.02 1y0h s VAL 6 CO 0.55 -0.56 -0.05 0.00 -3.33 0.00 0.00 175.10 171.70 1y0h s ALA 7 N -2.06 1.75 -0.01 1.54 0.00 -0.79 0.00 121.76 122.18 1y0h s ALA 7 Ca -0.10 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.19 1y0h s ALA 7 Cb -0.05 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.34 1y0h s ALA 7 CO -0.03 -0.15 -0.01 0.08 0.00 0.00 0.00 175.76 175.66 1y0h s VAL 8 N -3.31 0.14 -0.21 0.00 1.01 0.43 0.16 120.40 118.62 1y0h s VAL 8 Ca 0.24 0.01 -0.07 0.00 0.00 0.00 0.00 61.98 62.17 1y0h s VAL 8 Cb 0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.21 1y0h s VAL 8 CO 0.06 0.08 0.04 -0.63 0.00 0.00 0.00 175.10 174.66 1y0h s ILE 9 N 0.47 4.35 -0.14 2.22 1.01 0.06 -0.75 121.20 128.41 1y0h s ILE 9 Ca -0.04 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.45 1y0h s ILE 9 Cb -0.07 -2.99 0.01 0.00 0.01 0.00 0.00 42.46 39.43 1y0h s ILE 9 CO -0.01 0.41 -0.21 0.00 0.00 0.00 0.00 174.94 175.13 1y0h s ALA 10 N 0.99 2.17 -0.10 9.38 0.00 -0.19 -0.55 121.76 133.46 1y0h s ALA 10 Ca 0.03 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 50.95 1y0h s ALA 10 Cb -0.14 -1.00 -0.02 0.00 0.00 0.00 0.00 23.12 21.97 1y0h s ALA 10 CO 0.03 -0.08 -0.15 1.03 0.00 0.00 0.00 175.76 176.59 1y0h s ARG 11 N 0.91 3.05 -0.14 0.00 0.52 0.62 -0.74 118.95 123.17 1y0h s ARG 11 Ca -0.05 -0.71 0.02 0.00 -0.52 0.00 0.00 55.73 54.47 1y0h s ARG 11 Cb -0.15 -2.51 0.01 0.00 0.52 0.00 0.00 34.95 32.82 1y0h s ARG 11 CO -0.03 0.35 -0.19 -0.06 0.02 0.00 0.00 175.30 175.39 1y0h s PHE 12 N -0.02 2.44 -0.64 -0.53 0.40 0.37 -1.25 117.98 118.75 1y0h s PHE 12 Ca -0.04 -1.26 -0.04 0.00 -0.60 0.00 0.00 56.93 54.99 1y0h s PHE 12 Cb -0.14 -1.70 0.17 0.00 0.51 0.00 0.00 43.02 41.85 1y0h s PHE 12 CO 0.04 -0.61 0.48 -1.64 0.70 0.00 0.00 175.22 174.19 1y0h s MET 13 N 0.99 2.69 0.53 0.44 -1.94 -1.26 -1.20 119.30 119.54 1y0h s MET 13 Ca -0.04 -2.49 -0.20 0.00 -1.71 0.00 0.00 55.69 51.25 1y0h s MET 13 Cb -0.15 -3.82 -0.06 0.00 2.01 0.00 0.00 34.83 32.80 1y0h s MET 13 CO -0.04 -1.19 1.11 -1.25 -0.01 0.00 0.00 175.02 173.64 1y0h s PRO 14 N 0.02 3.45 0.37 2.03 0.04 -1.26 -0.72 135.00 138.94 1y0h s PRO 14 Ca 0.17 1.56 -0.28 0.00 0.04 0.00 0.00 61.00 62.48 1y0h s PRO 14 Cb -0.19 -2.03 -0.11 0.00 0.04 0.00 0.00 34.50 32.21 1y0h s PRO 14 CO -0.04 -0.75 1.44 -2.13 0.04 0.00 0.00 177.00 175.56 1y0h n ARG 15 N -1.23 2.55 -0.24 4.56 0.63 -0.41 -4.57 116.66 117.96 1y0h n ARG 15 Ca 0.11 0.89 0.04 0.00 -0.92 0.00 0.00 57.85 57.98 1y0h n ARG 15 Cb 0.51 -2.60 0.16 0.00 0.45 0.00 0.00 32.46 30.99 1y0h n ARG 15 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1y0h h PRO 16 N 2.85 0.23 0.00 -0.14 0.11 -1.95 0.90 132.00 134.00 1y0h h PRO 16 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1y0h h PRO 16 Cb 1.25 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1y0h h PRO 16 CO 0.64 0.15 0.00 -0.40 -0.21 0.00 0.00 178.00 178.18 1y0h n ASP 17 N -5.18 0.31 -0.81 -2.05 5.75 -1.26 -2.97 116.55 110.34 1y0h n ASP 17 Ca 0.13 0.57 0.08 0.00 -0.01 0.00 0.00 54.79 55.56 1y0h n ASP 17 Cb 0.43 -0.64 0.15 0.00 -1.03 0.00 0.00 41.12 40.03 1y0h n ASP 17 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1y0h n ALA 18 N -1.62 2.38 -0.07 2.12 0.00 0.27 -4.64 120.51 118.94 1y0h n ALA 18 Ca 0.03 -0.90 -0.09 0.00 0.00 0.00 0.00 53.44 52.48 1y0h n ALA 18 Cb 0.21 -0.61 -0.02 0.00 0.00 0.00 0.00 19.45 19.03 1y0h n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y0h h ARG 19 N 3.19 0.29 -0.51 0.00 3.08 -1.33 0.15 114.38 119.25 1y0h h ARG 19 Ca 0.00 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.05 1y0h h ARG 19 Cb 0.77 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.72 1y0h h ARG 19 CO 0.00 0.19 0.32 0.77 -1.07 0.00 0.00 179.97 180.18 1y0h h SER 20 N 0.30 0.53 -0.69 7.04 0.02 -1.84 -0.44 113.55 118.48 1y0h h SER 20 Ca 0.10 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 1y0h h SER 20 Cb 0.00 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 1y0h h SER 20 CO -0.05 0.38 0.17 0.00 -1.14 0.00 0.00 176.83 176.18 1y0h h ALA 21 N 1.21 0.90 -0.20 3.77 0.00 -1.76 -1.62 119.26 121.56 1y0h h ALA 21 Ca 0.20 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1y0h h ALA 21 Cb -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1y0h h ALA 21 CO -0.07 0.63 0.11 1.25 0.00 0.00 0.00 179.25 181.17 1y0h h LEU 22 N 1.03 0.25 -0.65 0.00 5.85 -0.37 -0.95 115.31 120.47 1y0h h LEU 22 Ca 0.22 -0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.93 1y0h h LEU 22 Cb 0.37 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 1y0h h LEU 22 CO 0.00 0.26 0.34 -0.09 -0.34 0.00 0.00 178.44 178.61 1y0h h ARG 23 N 0.22 0.59 -0.59 1.25 9.65 -0.83 -0.90 114.38 123.77 1y0h h ARG 23 Ca 0.07 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 1y0h h ARG 23 Cb 0.06 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.48 1y0h h ARG 23 CO -0.01 0.39 0.32 0.00 2.80 0.00 0.00 179.97 183.46 1y0h h ALA 24 N 1.37 0.75 -0.56 2.80 0.00 -1.06 0.14 119.26 122.70 1y0h h ALA 24 Ca 0.30 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1y0h h ALA 24 Cb 0.25 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1y0h h ALA 24 CO -0.22 0.28 0.29 1.25 0.00 0.00 0.00 179.25 180.85 1y0h h LEU 25 N 0.80 0.72 -0.17 0.00 5.85 -0.52 -2.23 115.31 119.76 1y0h h LEU 25 Ca 0.21 -0.11 -0.23 0.00 0.84 0.00 0.00 57.88 58.59 1y0h h LEU 25 Cb 0.06 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 40.91 1y0h h LEU 25 CO -0.03 0.63 -0.84 -0.07 -0.34 0.00 0.00 178.44 177.79 1y0h h LEU 26 N 0.76 0.83 -0.80 2.25 3.38 -0.99 -3.11 115.31 117.62 1y0h h LEU 26 Ca 0.20 -0.58 0.13 0.00 0.09 0.00 0.00 57.88 57.72 1y0h h LEU 26 Cb 0.09 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 40.50 1y0h h LEU 26 CO -0.03 1.37 0.39 0.44 0.09 0.00 0.00 178.44 180.70 1y0h h ASP 27 N 0.45 0.46 0.73 -0.43 3.32 -0.55 -1.29 116.42 119.11 1y0h h ASP 27 Ca -0.07 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1y0h h ASP 27 Cb 1.46 0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.03 1y0h h ASP 27 CO 0.16 0.20 0.00 0.00 -1.72 0.00 0.00 179.24 177.89 1y0h n ALA 28 N -2.44 1.66 0.13 3.45 0.00 -0.85 -2.60 120.51 119.86 1y0h n ALA 28 Ca 0.15 0.08 0.03 0.00 0.00 0.00 0.00 53.44 53.70 1y0h n ALA 28 Cb 0.40 -1.38 0.02 0.00 0.00 0.00 0.00 19.45 18.48 1y0h n ALA 28 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1y0h h MET 29 N 0.00 0.00 0.49 0.00 2.86 -1.26 -3.41 114.93 113.61 1y0h h MET 29 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1y0h h MET 29 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1y0h h MET 29 CO 0.00 0.45 -0.24 0.82 1.06 0.00 0.00 176.91 179.00 1y0h h ILE 30 N 0.00 0.49 0.38 -1.22 2.04 -1.52 -1.80 117.51 115.88 1y0h h ILE 30 Ca -0.02 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1y0h h ILE 30 Cb 1.38 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1y0h h ILE 30 CO 0.06 0.04 -0.38 0.74 0.00 0.00 0.00 178.15 178.61 1y0h h THR 31 N -0.80 0.23 -0.18 -0.27 2.02 -1.78 -0.76 112.91 111.37 1y0h h THR 31 Ca -0.07 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.04 1y0h h THR 31 Cb 0.57 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1y0h h THR 31 CO 0.11 0.00 -0.19 1.55 0.37 0.00 0.00 175.52 177.36 1y0h h PRO 32 N -0.78 0.31 -0.26 6.66 0.13 -1.79 -2.33 132.00 133.93 1y0h h PRO 32 Ca -0.03 -0.09 -0.10 0.00 -0.87 0.00 0.00 66.00 64.91 1y0h h PRO 32 Cb 0.70 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 1y0h h PRO 32 CO -0.06 0.50 -0.21 1.15 -0.23 0.00 0.00 178.00 179.15 1y0h h THR 33 N 0.29 1.31 0.00 1.56 2.02 -1.15 -2.66 112.91 114.28 1y0h h THR 33 Ca 0.05 -1.36 -0.01 0.00 0.77 0.00 0.00 66.41 65.87 1y0h h THR 33 Cb 0.51 1.60 -0.00 0.00 -1.74 0.00 0.00 68.15 68.52 1y0h h THR 33 CO 0.03 0.43 -0.05 0.03 0.37 0.00 0.00 175.52 176.33 1y0h h ARG 34 N 0.33 0.00 -0.00 6.66 3.08 -0.93 -1.90 114.38 121.62 1y0h h ARG 34 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1y0h h ARG 34 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.81 1y0h h ARG 34 CO 0.06 0.05 -0.16 0.00 -1.07 0.00 0.00 179.97 178.85 1y0h n ALA 35 N -2.19 2.74 -1.94 0.04 0.00 -0.90 -4.86 120.51 113.41 1y0h n ALA 35 Ca -0.02 -0.19 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 1y0h n ALA 35 Cb 0.19 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.26 1y0h n ALA 35 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1y0h s GLU 36 N -2.93 4.27 0.33 0.00 2.02 -0.72 -4.91 118.70 116.76 1y0h s GLU 36 Ca 0.15 2.27 0.11 0.00 0.02 0.00 0.00 54.97 57.52 1y0h s GLU 36 Cb 0.19 -3.15 0.92 0.00 0.10 0.00 0.00 34.13 32.19 1y0h s GLU 36 CO 0.57 -0.47 1.73 -0.44 0.02 0.00 0.00 175.26 176.67 1y0h h ASP 37 N 5.84 0.65 -0.28 -0.19 3.45 -1.89 -1.87 116.42 122.12 1y0h h ASP 37 Ca -0.44 0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.15 1y0h h ASP 37 Cb 1.21 0.04 0.00 0.00 -0.56 0.00 0.00 39.33 40.02 1y0h h ASP 37 CO 0.83 0.09 0.00 0.61 -1.57 0.00 0.00 179.24 179.20 1y0h n GLY 38 N -1.32 1.09 3.61 2.75 0.00 -1.26 -4.88 105.19 105.18 1y0h n GLY 38 Ca 0.27 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 1y0h n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y0h h ARG 40 N 8.09 0.32 -2.73 0.00 3.08 -0.35 -3.46 114.38 119.32 1y0h h ARG 40 Ca -0.28 -0.55 0.04 0.00 0.07 0.00 0.00 59.98 59.26 1y0h h ARG 40 Cb 1.13 0.20 -0.12 0.00 0.08 0.00 0.00 29.97 31.27 1y0h h ARG 40 CO 0.74 1.21 0.32 -1.54 -1.07 0.00 0.00 179.97 179.63 1y0h s SER 41 N -7.12 -0.45 -0.30 7.04 1.04 -1.01 -4.96 113.70 107.95 1y0h s SER 41 Ca -0.13 -0.09 0.06 0.00 0.48 0.00 0.00 55.95 56.27 1y0h s SER 41 Cb 0.06 0.54 0.20 0.00 0.10 0.00 0.00 66.02 66.92 1y0h s SER 41 CO 0.85 -0.90 0.61 -0.47 0.98 0.00 0.00 173.24 174.31 1y0h s TYR 42 N -3.54 -1.81 0.02 5.02 5.04 -1.26 -0.77 117.35 120.05 1y0h s TYR 42 Ca 0.04 1.01 0.08 0.00 -2.44 0.00 0.00 57.07 55.76 1y0h s TYR 42 Cb -0.02 0.31 -0.02 0.00 0.35 0.00 0.00 41.96 42.58 1y0h s TYR 42 CO -0.09 -1.07 -0.22 -0.51 -1.34 0.00 0.00 175.55 172.32 1y0h s ASP 43 N 2.77 2.67 -0.10 4.32 1.01 0.17 -4.97 116.67 122.54 1y0h s ASP 43 Ca 0.11 -0.50 0.01 0.00 0.71 0.00 0.00 52.55 52.89 1y0h s ASP 43 Cb -0.09 -0.25 -0.02 0.00 1.01 0.00 0.00 42.92 43.57 1y0h s ASP 43 CO -0.25 0.22 -0.14 -0.22 0.21 0.00 0.00 175.17 174.99 1y0h s LEU 44 N -0.98 2.67 0.16 1.23 2.96 -1.26 -0.97 118.68 122.49 1y0h s LEU 44 Ca 0.09 -0.31 0.03 0.00 -0.22 0.00 0.00 54.13 53.72 1y0h s LEU 44 Cb -0.09 -1.58 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 1y0h s LEU 44 CO 0.01 0.22 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.91 1y0h s TYR 45 N 0.01 1.23 -0.09 5.38 1.51 0.10 -4.99 117.35 120.51 1y0h s TYR 45 Ca -0.04 -0.91 0.03 0.00 -1.01 0.00 0.00 57.07 55.14 1y0h s TYR 45 Cb -0.14 -0.68 -0.02 0.00 -0.11 0.00 0.00 41.96 41.01 1y0h s TYR 45 CO 0.04 -0.08 -0.16 -2.00 -1.11 0.00 0.00 175.55 172.24 1y0h s GLU 46 N -3.84 2.90 0.66 -0.62 2.12 -1.26 -0.51 118.70 118.15 1y0h s GLU 46 Ca 0.20 -0.74 -0.17 0.00 0.36 0.00 0.00 54.97 54.62 1y0h s GLU 46 Cb 0.05 -2.44 -0.00 0.00 0.26 0.00 0.00 34.13 32.00 1y0h s GLU 46 CO 0.02 0.39 1.23 -1.54 -0.54 0.00 0.00 175.26 174.82 1y0h s SER 47 N -0.13 4.66 0.46 -1.70 1.04 0.11 -4.90 113.70 113.25 1y0h s SER 47 Ca -0.02 2.45 0.16 0.00 0.48 0.00 0.00 55.95 59.02 1y0h s SER 47 Cb -0.14 -2.60 1.12 0.00 0.10 0.00 0.00 66.02 64.50 1y0h s SER 47 CO 0.04 -1.95 1.99 0.00 0.98 0.00 0.00 173.24 174.29 1y0h h ALA 48 N 0.36 2.12 -0.02 5.32 0.00 -2.00 0.71 119.26 125.75 1y0h h ALA 48 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1y0h h ALA 48 Cb 1.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1y0h h ALA 48 CO 0.53 -0.25 0.00 -0.40 0.00 0.00 0.00 179.25 179.13 1y0h n ASP 49 N -4.46 0.96 0.00 0.00 5.68 -1.26 -4.92 116.55 112.55 1y0h n ASP 49 Ca 0.09 -1.34 0.00 0.00 -0.50 0.00 0.00 54.79 53.04 1y0h n ASP 49 Cb 0.41 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 1y0h n ASP 49 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1y0h n GLY 50 N 1.10 0.44 0.13 6.12 0.00 0.24 -4.87 105.19 108.36 1y0h n GLY 50 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.34 1y0h n GLY 50 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1y0h h GLY 51 N 0.00 0.00 -5.32 -0.02 0.00 -1.92 -3.47 103.07 92.35 1y0h h GLY 51 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 1y0h h GLY 51 CO 0.00 0.00 -0.72 -1.83 0.00 0.00 0.00 176.54 173.99 1y0h s GLU 52 N -3.24 0.15 0.04 4.80 -1.05 -1.26 -4.30 118.70 113.83 1y0h s GLU 52 Ca 0.05 -0.24 -0.10 0.00 -0.15 0.00 0.00 54.97 54.53 1y0h s GLU 52 Cb 0.10 -0.01 -0.05 0.00 -0.44 0.00 0.00 34.13 33.72 1y0h s GLU 52 CO 0.72 -0.01 0.36 -0.51 0.95 0.00 0.00 175.26 176.77 1y0h s LEU 53 N -0.54 4.38 -0.05 1.83 1.43 -0.35 -0.71 118.68 124.68 1y0h s LEU 53 Ca -0.05 0.76 0.03 0.00 -1.03 0.00 0.00 54.13 53.83 1y0h s LEU 53 Cb -0.04 -2.78 0.01 0.00 0.03 0.00 0.00 46.19 43.41 1y0h s LEU 53 CO -0.00 0.24 -0.11 -0.69 0.23 0.00 0.00 176.35 176.01 1y0h s VAL 54 N -1.29 1.02 -0.14 -1.59 1.01 0.34 -0.47 120.40 119.28 1y0h s VAL 54 Ca 0.29 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 1y0h s VAL 54 Cb -0.14 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 1y0h s VAL 54 CO 0.16 0.32 0.00 -0.76 0.00 0.00 0.00 175.10 174.82 1y0h s LEU 55 N 0.45 3.51 -0.19 3.92 1.43 0.08 0.03 118.68 127.90 1y0h s LEU 55 Ca -0.09 0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.00 1y0h s LEU 55 Cb -0.13 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 1y0h s LEU 55 CO 0.02 0.24 -0.09 0.12 0.23 0.00 0.00 176.35 176.87 1y0h s PHE 56 N -0.03 2.90 0.05 0.29 5.99 -0.15 -1.02 117.98 126.01 1y0h s PHE 56 Ca 0.03 -0.97 0.07 0.00 0.00 0.00 0.00 56.93 56.06 1y0h s PHE 56 Cb -0.13 -2.01 -0.03 0.00 0.00 0.00 0.00 43.02 40.85 1y0h s PHE 56 CO 0.02 -0.50 -0.20 -1.21 -0.00 0.00 0.00 175.22 173.33 1y0h s GLU 57 N 1.17 1.28 -0.02 10.12 2.02 0.07 -0.65 118.70 132.68 1y0h s GLU 57 Ca 0.02 -0.94 0.01 0.00 0.02 0.00 0.00 54.97 54.08 1y0h s GLU 57 Cb -0.14 -1.40 0.01 0.00 0.10 0.00 0.00 34.13 32.70 1y0h s GLU 57 CO -0.03 0.35 -0.04 1.03 0.02 0.00 0.00 175.26 176.60 1y0h s ARG 58 N -1.27 0.53 0.13 1.61 0.52 0.05 -0.43 118.95 120.08 1y0h s ARG 58 Ca 0.06 -0.09 0.06 0.00 -0.52 0.00 0.00 55.73 55.24 1y0h s ARG 58 Cb -0.09 -0.57 -0.04 0.00 0.52 0.00 0.00 34.95 34.77 1y0h s ARG 58 CO 0.02 -0.01 -0.15 0.71 0.02 0.00 0.00 175.30 175.88 1y0h s TYR 59 N 0.52 1.48 0.20 -0.53 2.02 0.10 0.42 117.35 121.56 1y0h s TYR 59 Ca -0.06 -0.53 0.23 0.00 -0.37 0.00 0.00 57.07 56.35 1y0h s TYR 59 Cb -0.09 -0.77 0.98 0.00 -0.40 0.00 0.00 41.96 41.67 1y0h s TYR 59 CO -0.00 0.17 1.86 0.07 -1.57 0.00 0.00 175.55 176.08 1y0h h ARG 60 N 3.54 0.00 -2.96 -0.62 0.11 -1.24 -1.35 114.38 111.86 1y0h h ARG 60 Ca -0.41 0.00 0.04 0.00 0.10 0.00 0.00 59.98 59.72 1y0h h ARG 60 Cb 1.20 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.20 1y0h h ARG 60 CO 0.50 0.23 0.24 -1.54 0.10 0.00 0.00 179.97 179.50 1y0h s SER 61 N -6.24 -0.37 0.25 0.08 1.04 -1.26 -3.06 113.70 104.14 1y0h s SER 61 Ca -0.00 -0.37 -0.05 0.00 0.48 0.00 0.00 55.95 56.00 1y0h s SER 61 Cb 0.11 0.67 0.29 0.00 0.10 0.00 0.00 66.02 67.19 1y0h s SER 61 CO 0.64 -1.18 1.92 -0.09 0.98 0.00 0.00 173.24 175.50 1y0h h ARG 62 N 2.00 1.27 -0.65 4.02 9.65 -1.91 -2.64 114.38 126.13 1y0h h ARG 62 Ca -0.25 -0.08 0.09 0.00 -1.10 0.00 0.00 59.98 58.65 1y0h h ARG 62 Cb 1.27 -0.29 -0.07 0.00 -1.39 0.00 0.00 29.97 29.50 1y0h h ARG 62 CO 0.29 0.84 0.29 0.82 2.80 0.00 0.00 179.97 185.01 1y0h h ILE 63 N 1.31 0.83 -0.82 1.20 2.04 -1.95 -0.45 117.51 119.66 1y0h h ILE 63 Ca 0.38 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 66.06 1y0h h ILE 63 Cb -0.08 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.23 1y0h h ILE 63 CO -0.10 0.09 0.48 0.00 0.00 0.00 0.00 178.15 178.63 1y0h h ALA 64 N 1.41 1.31 -0.32 1.87 0.00 -1.83 -0.71 119.26 120.98 1y0h h ALA 64 Ca 0.32 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1y0h h ALA 64 Cb 0.35 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1y0h h ALA 64 CO -0.27 0.59 -0.14 1.25 0.00 0.00 0.00 179.25 180.68 1y0h h LEU 65 N 1.13 0.68 -0.70 0.00 5.85 -0.98 -1.84 115.31 119.46 1y0h h LEU 65 Ca 0.29 -0.40 0.10 0.00 0.84 0.00 0.00 57.88 58.71 1y0h h LEU 65 Cb -0.03 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.74 1y0h h LEU 65 CO -0.05 0.93 0.33 0.44 -0.34 0.00 0.00 178.44 179.75 1y0h h ASP 66 N 0.43 0.42 -0.61 1.25 3.45 -0.78 -1.84 116.42 118.74 1y0h h ASP 66 Ca 0.07 0.06 -0.03 0.00 0.43 0.00 0.00 57.03 57.57 1y0h h ASP 66 Cb 0.67 -0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.41 1y0h h ASP 66 CO 0.04 0.24 0.26 -0.33 -1.57 0.00 0.00 179.24 177.88 1y0h h GLU 67 N 0.57 0.90 -0.52 3.56 5.08 -0.95 -2.50 114.58 120.72 1y0h h GLU 67 Ca 0.35 -0.15 0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1y0h h GLU 67 Cb 0.38 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 1y0h h GLU 67 CO -0.28 0.75 0.28 1.25 -1.00 0.00 0.00 179.01 180.02 1y0h h HIS 68 N 0.84 0.52 0.00 4.33 2.76 -0.90 -1.99 115.15 120.71 1y0h h HIS 68 Ca 0.20 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 1y0h h HIS 68 Cb 0.18 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 28.98 1y0h h HIS 68 CO 0.01 0.27 0.00 0.54 -1.30 0.00 0.00 177.93 177.45 1y0h n ARG 69 N -4.85 0.02 0.00 5.26 1.74 -0.73 -2.04 116.66 116.06 1y0h n ARG 69 Ca 0.04 0.31 0.07 0.00 -0.77 0.00 0.00 57.85 57.50 1y0h n ARG 69 Cb 0.12 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 1y0h n ARG 69 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1y0h n GLY 70 N -0.24 -0.08 3.76 -0.13 0.00 -0.80 -4.69 105.19 103.02 1y0h n GLY 70 Ca 0.03 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 1y0h n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y0h s SER 71 N -1.68 5.11 0.26 1.61 1.04 -0.87 -4.81 113.70 114.37 1y0h s SER 71 Ca 0.12 2.13 -0.03 0.00 0.48 0.00 0.00 55.95 58.65 1y0h s SER 71 Cb 0.11 -2.57 0.42 0.00 0.10 0.00 0.00 66.02 64.09 1y0h s SER 71 CO 0.34 -1.63 1.85 -0.65 0.98 0.00 0.00 173.24 174.13 1y0h h PRO 72 N 0.32 0.97 -0.32 4.02 0.11 -1.92 -0.68 132.00 134.49 1y0h h PRO 72 Ca -0.48 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.47 1y0h h PRO 72 Cb 1.26 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1y0h h PRO 72 CO 0.54 0.64 -0.18 1.12 -0.21 0.00 0.00 178.00 179.91 1y0h h HIS 73 N 1.00 0.80 -0.38 0.65 2.07 -1.92 -2.64 115.15 114.72 1y0h h HIS 73 Ca 0.43 -0.21 -0.00 0.00 -2.85 0.00 0.00 60.37 57.74 1y0h h HIS 73 Cb 0.29 -0.18 -0.02 0.00 2.57 0.00 0.00 27.41 30.07 1y0h h HIS 73 CO -0.02 0.92 0.23 -0.92 -3.07 0.00 0.00 177.93 175.06 1y0h h TYR 74 N 0.46 0.51 -0.98 6.12 3.20 -1.70 -2.14 116.97 122.43 1y0h h TYR 74 Ca 0.07 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.95 1y0h h TYR 74 Cb 0.72 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.77 1y0h h TYR 74 CO 0.06 0.37 0.65 -0.07 -1.64 0.00 0.00 178.16 177.53 1y0h h LEU 75 N 0.50 1.11 -0.41 2.82 3.38 -1.08 0.22 115.31 121.85 1y0h h LEU 75 Ca 0.14 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1y0h h LEU 75 Cb 0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1y0h h LEU 75 CO -0.03 0.79 0.09 -1.13 0.09 0.00 0.00 178.44 178.25 1y0h h ASN 76 N 1.30 0.63 -0.24 -0.43 -1.24 -1.24 -1.40 115.58 112.97 1y0h h ASN 76 Ca 0.37 -0.24 0.01 0.00 0.71 0.00 0.00 56.30 57.15 1y0h h ASN 76 Cb -0.11 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 38.75 1y0h h ASN 76 CO -0.09 0.71 0.13 0.22 -1.29 0.00 0.00 177.43 177.11 1y0h h TYR 77 N 0.52 0.24 -0.07 0.67 3.20 -0.75 -3.00 116.97 117.78 1y0h h TYR 77 Ca 0.13 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.93 1y0h h TYR 77 Cb 0.34 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1y0h h TYR 77 CO 0.02 0.14 -0.30 -0.09 -1.64 0.00 0.00 178.16 176.29 1y0h h ARG 78 N 0.27 0.14 0.00 1.82 9.65 -0.30 -0.34 114.38 125.62 1y0h h ARG 78 Ca 0.10 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.92 1y0h h ARG 78 Cb 0.01 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1y0h h ARG 78 CO -0.06 0.43 -0.03 0.00 2.80 0.00 0.00 179.97 183.11 1y0h h ALA 79 N 1.57 1.21 0.00 2.80 0.00 -1.12 -3.34 119.26 120.38 1y0h h ALA 79 Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1y0h h ALA 79 Cb 0.61 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1y0h h ALA 79 CO 0.04 0.04 -1.09 1.04 0.00 0.00 0.00 179.25 179.28 1y0h n GLN 80 N -3.42 1.01 -0.16 0.00 1.13 -0.54 -4.80 117.38 110.59 1y0h n GLN 80 Ca -0.02 -0.01 -0.07 0.00 -1.94 0.00 0.00 57.00 54.95 1y0h n GLN 80 Cb 0.15 -1.04 0.08 0.00 0.11 0.00 0.00 30.24 29.54 1y0h n GLN 80 CO 0.00 0.00 0.00 -0.24 -1.44 0.00 0.00 177.06 175.38 1y0h h VAL 81 N 0.00 1.26 -0.68 5.09 3.04 -1.22 -3.18 116.25 120.56 1y0h h VAL 81 Ca -0.01 -1.11 0.07 0.00 -1.01 0.00 0.00 66.70 64.63 1y0h h VAL 81 Cb 0.35 0.85 -0.04 0.00 -2.01 0.00 0.00 31.29 30.44 1y0h h VAL 81 CO 0.00 0.40 0.45 1.23 -1.01 0.00 0.00 177.57 178.63 1y0h h GLY 82 N 0.99 0.86 1.76 3.17 0.00 -1.85 -1.29 103.07 106.71 1y0h h GLY 82 Ca 0.16 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1y0h h GLY 82 CO 0.03 0.20 0.00 1.18 0.00 0.00 0.00 176.54 177.95 1y0h n GLU 83 N -4.48 0.15 0.00 4.80 4.71 -1.20 -2.69 120.64 121.93 1y0h n GLU 83 Ca 0.10 0.14 0.08 0.00 -0.01 0.00 0.00 57.16 57.46 1y0h n GLU 83 Cb 0.24 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 29.16 1y0h n GLU 83 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1y0h n LEU 84 N -1.38 1.52 -4.65 -4.62 4.77 -0.49 -5.02 117.00 107.13 1y0h n LEU 84 Ca 0.07 -0.74 -0.25 0.00 -0.03 0.00 0.00 56.01 55.06 1y0h n LEU 84 Cb 0.18 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.20 1y0h n LEU 84 CO 0.16 0.30 -0.33 -0.76 -1.33 0.00 0.00 177.39 175.42 1y0h s LEU 85 N -2.09 3.24 0.35 2.23 1.43 -1.09 -1.28 118.68 121.47 1y0h s LEU 85 Ca 0.12 -0.51 0.20 0.00 -1.03 0.00 0.00 54.13 52.91 1y0h s LEU 85 Cb 0.13 -1.84 0.20 0.00 0.03 0.00 0.00 46.19 44.71 1y0h s LEU 85 CO 0.42 0.05 1.48 0.71 0.23 0.00 0.00 176.35 179.24 1y0h h THR 86 N 2.24 0.33 -3.27 5.49 1.35 -1.17 -3.42 112.91 114.46 1y0h h THR 86 Ca -0.46 -1.48 -0.03 0.00 -0.55 0.00 0.00 66.41 63.89 1y0h h THR 86 Cb 1.22 2.12 -0.12 0.00 -1.73 0.00 0.00 68.15 69.64 1y0h h THR 86 CO 0.58 0.19 0.03 0.00 -0.25 0.00 0.00 175.52 176.07 1y0h s ARG 87 N -3.12 1.22 0.76 4.72 1.70 -1.26 -5.07 118.95 117.90 1y0h s ARG 87 Ca 0.05 -0.70 -0.13 0.00 -0.47 0.00 0.00 55.73 54.48 1y0h s ARG 87 Cb 0.06 0.52 0.06 0.00 -0.57 0.00 0.00 34.95 35.02 1y0h s ARG 87 CO 0.71 -0.51 1.15 -2.14 -1.08 0.00 0.00 175.30 173.44 1y0h s PRO 88 N -3.81 2.04 0.08 3.89 0.02 -1.26 -4.67 135.00 131.29 1y0h s PRO 88 Ca 0.04 1.54 -0.36 0.00 0.02 0.00 0.00 61.00 62.25 1y0h s PRO 88 Cb 0.00 -1.84 -0.15 0.00 0.02 0.00 0.00 34.50 32.53 1y0h s PRO 88 CO -0.09 -1.86 1.50 0.28 -0.33 0.00 0.00 177.00 176.49 1y0h n VAL 89 N -3.13 0.06 -2.96 3.83 0.31 -1.26 -4.89 118.33 110.29 1y0h n VAL 89 Ca 0.12 -0.01 -0.43 0.00 -0.01 0.00 0.00 64.34 64.01 1y0h n VAL 89 Cb 0.51 -1.21 -0.05 0.00 -0.91 0.00 0.00 33.84 32.18 1y0h n VAL 89 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1y0h s ALA 90 N 1.11 3.26 -0.15 3.52 0.00 -0.38 -4.91 121.76 124.21 1y0h s ALA 90 Ca 0.84 -1.23 -0.02 0.00 0.00 0.00 0.00 51.96 51.54 1y0h s ALA 90 Cb -0.83 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 18.73 1y0h s ALA 90 CO 0.45 -2.10 -0.09 0.08 0.00 0.00 0.00 175.76 174.10 1y0h s VAL 91 N 3.39 3.42 -0.15 0.00 1.01 -1.26 -0.28 120.40 126.53 1y0h s VAL 91 Ca 0.27 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1y0h s VAL 91 Cb -0.14 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.79 1y0h s VAL 91 CO 0.19 0.51 -0.13 -0.89 0.00 0.00 0.00 175.10 174.78 1y0h s THR 92 N 0.42 1.49 0.06 3.92 2.01 0.29 -5.00 115.64 118.84 1y0h s THR 92 Ca -0.07 -0.59 -0.21 0.00 0.31 0.00 0.00 61.69 61.12 1y0h s THR 92 Cb -0.15 -1.42 -0.06 0.00 0.01 0.00 0.00 72.50 70.88 1y0h s THR 92 CO 0.04 0.43 0.63 -0.69 -0.69 0.00 0.00 174.62 174.34 1y0h s VAL 93 N 1.52 4.72 0.09 3.82 1.01 -1.26 -0.76 120.40 129.54 1y0h s VAL 93 Ca 0.05 1.35 0.09 0.00 0.00 0.00 0.00 61.98 63.46 1y0h s VAL 93 Cb -0.13 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1y0h s VAL 93 CO -0.10 0.49 -0.23 -0.76 0.00 0.00 0.00 175.10 174.50 1y0h s LEU 94 N -0.75 2.26 -0.15 3.92 1.43 0.12 -4.98 118.68 120.54 1y0h s LEU 94 Ca 0.32 -0.65 -0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1y0h s LEU 94 Cb -0.20 -1.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.96 1y0h s LEU 94 CO 0.20 0.14 -0.14 0.00 0.23 0.00 0.00 176.35 176.78 1y0h s ALA 95 N -1.00 2.55 0.31 4.21 0.00 -1.26 -1.89 121.76 124.68 1y0h s ALA 95 Ca 0.10 -1.00 -0.29 0.00 0.00 0.00 0.00 51.96 50.77 1y0h s ALA 95 Cb -0.10 -1.24 -0.10 0.00 0.00 0.00 0.00 23.12 21.68 1y0h s ALA 95 CO 0.04 0.05 1.36 -1.25 0.00 0.00 0.00 175.76 175.96 1y0h s PRO 96 N 0.68 4.31 -0.16 0.00 0.04 -1.26 -4.92 135.00 133.68 1y0h s PRO 96 Ca -0.07 2.27 0.01 0.00 0.04 0.00 0.00 61.00 63.26 1y0h s PRO 96 Cb -0.16 -3.07 -0.11 0.00 0.04 0.00 0.00 34.50 31.20 1y0h s PRO 96 CO 0.02 -0.28 -0.14 1.28 0.04 0.00 0.00 177.00 177.92 1y0h n LEU 97 N 1.19 2.93 -3.29 -3.56 4.77 -1.26 -4.93 117.00 112.85 1y0h n LEU 97 Ca 0.02 -0.09 -0.09 0.00 -0.03 0.00 0.00 56.01 55.82 1y0h n LEU 97 Cb 0.41 -0.56 -0.05 0.00 -2.33 0.00 0.00 43.42 40.90 1y0h n LEU 97 CO 0.60 0.77 -0.04 -0.62 -1.33 0.00 0.00 177.39 176.76 1y0h s ASP 98 N -5.58 -0.07 -0.24 -1.43 3.68 -1.26 -5.11 116.67 106.67 1y0h s ASP 98 Ca -0.22 -1.25 0.02 0.00 2.13 0.00 0.00 52.55 53.24 1y0h s ASP 98 Cb 0.06 1.20 0.05 0.00 -1.45 0.00 0.00 42.92 42.77 1y0h s ASP 98 CO 0.38 -0.21 -0.12 -0.70 0.13 0.00 0.00 175.17 174.64 1y0h s GLU 99 N 1.59 2.34 0.37 4.34 2.12 -1.26 -5.01 118.70 123.20 1y0h s GLU 99 Ca 0.17 -1.19 0.05 0.00 0.36 0.00 0.00 54.97 54.35 1y0h s GLU 99 Cb -0.10 -2.78 0.73 0.00 0.26 0.00 0.00 34.13 32.24 1y0h s GLU 99 CO -0.04 -0.49 1.99 0.00 -0.54 0.00 0.00 175.26 176.18 1y0h h ALA 100 N 7.83 1.57 0.00 6.30 0.00 -2.05 -3.53 119.26 129.38 1y0h h ALA 100 Ca -0.25 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1y0h h ALA 100 Cb 1.07 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1y0h h ALA 100 CO 0.49 0.36 0.00 -1.13 0.00 0.00 0.00 179.25 178.97