#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r5x s LEU 0 N 0.00 4.37 0.24 -4.42 1.43 -1.26 -4.94 118.68 114.09 1r5x s LEU 0 Ca 0.00 1.28 -0.31 0.00 -1.03 0.00 0.00 54.13 54.07 1r5x s LEU 0 Cb 0.00 -3.13 -0.13 0.00 0.03 0.00 0.00 46.19 42.96 1r5x s LEU 0 CO 0.00 -0.07 1.57 0.80 0.23 0.00 0.00 176.35 178.89 1r5x n MET 1 N 3.41 2.45 -4.32 1.70 0.00 -1.26 -4.92 117.12 114.18 1r5x n MET 1 Ca -0.02 0.88 -0.17 0.00 -0.00 0.00 0.00 57.70 58.39 1r5x n MET 1 Cb 0.51 -2.64 -0.10 0.00 0.00 0.00 0.00 33.22 30.99 1r5x n MET 1 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1r5x s LYS 2 N 0.10 1.28 -0.09 2.12 1.02 -0.53 -4.42 119.74 119.22 1r5x s LYS 2 Ca 0.70 -1.61 0.03 0.00 0.02 0.00 0.00 55.97 55.10 1r5x s LYS 2 Cb -0.57 -0.77 -0.01 0.00 -0.52 0.00 0.00 37.83 35.96 1r5x s LYS 2 CO 0.44 0.02 -0.17 -1.50 -0.92 0.00 0.00 175.35 173.21 1r5x s ILE 3 N -3.27 2.71 0.46 2.17 2.07 -0.60 -0.07 121.20 124.68 1r5x s ILE 3 Ca 0.24 -0.81 -0.24 0.00 -1.41 0.00 0.00 60.65 58.44 1r5x s ILE 3 Cb 0.03 -2.08 -0.07 0.00 0.13 0.00 0.00 42.46 40.47 1r5x s ILE 3 CO 0.06 0.55 1.24 -0.94 -1.91 0.00 0.00 174.94 173.95 1r5x s SER 4 N -0.02 6.02 0.24 4.50 1.04 -0.12 -1.33 113.70 124.03 1r5x s SER 4 Ca -0.05 2.50 -0.06 0.00 0.48 0.00 0.00 55.95 58.82 1r5x s SER 4 Cb -0.14 -2.62 0.30 0.00 0.10 0.00 0.00 66.02 63.65 1r5x s SER 4 CO 0.04 -1.03 1.86 0.03 0.98 0.00 0.00 173.24 175.12 1r5x h ARG 5 N 2.12 0.98 -1.00 4.02 2.47 -1.91 -2.11 114.38 118.95 1r5x h ARG 5 Ca -0.50 -0.06 0.01 0.00 -1.26 0.00 0.00 59.98 58.18 1r5x h ARG 5 Cb 1.26 -0.22 -0.05 0.00 -1.65 0.00 0.00 29.97 29.31 1r5x h ARG 5 CO 0.60 0.65 0.66 0.78 0.56 0.00 0.00 179.97 183.22 1r5x h GLY 6 N 1.00 1.41 0.98 0.04 0.00 -1.96 -0.77 103.07 103.78 1r5x h GLY 6 Ca 0.36 -0.52 -0.06 0.00 0.00 0.00 0.00 47.33 47.11 1r5x h GLY 6 CO -0.15 0.50 0.09 -2.00 0.00 0.00 0.00 176.54 174.98 1r5x h LEU 7 N 1.34 0.78 -0.19 3.11 5.85 -1.71 -0.90 115.31 123.60 1r5x h LEU 7 Ca 0.37 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1r5x h LEU 7 Cb -0.14 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.67 1r5x h LEU 7 CO -0.08 0.84 0.12 0.25 -0.34 0.00 0.00 178.44 179.22 1r5x h LEU 8 N 0.70 0.21 -0.34 2.25 6.46 -0.94 -0.48 115.31 123.17 1r5x h LEU 8 Ca 0.15 -0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.93 1r5x h LEU 8 Cb 0.38 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.23 1r5x h LEU 8 CO 0.01 0.15 0.16 0.50 -0.62 0.00 0.00 178.44 178.64 1r5x h LYS 9 N 0.25 0.33 -0.55 1.25 3.64 -0.98 -0.42 116.57 120.09 1r5x h LYS 9 Ca 0.07 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1r5x h LYS 9 Cb -0.03 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1r5x h LYS 9 CO -0.02 0.22 0.20 1.15 -2.27 0.00 0.00 179.45 178.74 1r5x h THR 10 N 0.34 1.20 -0.10 1.00 2.02 -0.87 -1.09 112.91 115.43 1r5x h THR 10 Ca 0.14 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 1r5x h THR 10 Cb 0.06 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1r5x h THR 10 CO -0.11 0.26 0.01 0.40 0.37 0.00 0.00 175.52 176.45 1r5x h ILE 11 N 0.78 1.23 -0.81 3.11 2.04 -0.44 -0.75 117.51 122.67 1r5x h ILE 11 Ca 0.19 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 1r5x h ILE 11 Cb 0.18 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 1r5x h ILE 11 CO -0.02 0.20 0.46 -0.07 0.00 0.00 0.00 178.15 178.73 1r5x h LEU 12 N -0.09 0.99 -0.60 1.44 3.38 -0.79 -0.68 115.31 118.97 1r5x h LEU 12 Ca 0.03 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1r5x h LEU 12 Cb 0.31 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1r5x h LEU 12 CO 0.00 0.79 0.03 -0.33 0.09 0.00 0.00 178.44 179.02 1r5x h GLU 13 N 1.12 1.05 -0.54 1.13 5.08 -1.13 -1.62 114.58 119.66 1r5x h GLU 13 Ca 0.29 -0.32 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1r5x h GLU 13 Cb -0.00 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1r5x h GLU 13 CO -0.05 1.02 -0.02 0.00 -1.00 0.00 0.00 179.01 178.95 1r5x h ALA 14 N 0.99 0.95 -0.44 3.43 0.00 -0.67 -1.45 119.26 122.07 1r5x h ALA 14 Ca 0.17 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1r5x h ALA 14 Cb 0.53 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1r5x h ALA 14 CO 0.03 0.63 0.11 0.00 0.00 0.00 0.00 179.25 180.01 1r5x h ALA 15 N 1.11 0.57 -0.79 0.00 0.00 -0.95 -1.20 119.26 118.00 1r5x h ALA 15 Ca 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1r5x h ALA 15 Cb 0.54 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1r5x h ALA 15 CO 0.03 0.26 0.51 0.87 0.00 0.00 0.00 179.25 180.91 1r5x h LYS 16 N 0.57 1.06 -0.13 0.00 1.57 -1.11 -1.40 116.57 117.13 1r5x h LYS 16 Ca 0.14 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.74 1r5x h LYS 16 Cb 0.32 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1r5x h LYS 16 CO 0.00 0.72 -0.38 0.77 -0.57 0.00 0.00 179.45 179.99 1r5x h SER 17 N 1.08 0.30 0.91 0.86 0.02 -0.99 -2.92 113.55 112.80 1r5x h SER 17 Ca 0.29 -0.12 -0.14 0.00 -0.84 0.00 0.00 61.79 60.98 1r5x h SER 17 Cb -0.09 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 1r5x h SER 17 CO -0.06 0.66 -0.68 0.00 -1.14 0.00 0.00 176.83 175.60 1r5x h ALA 18 N 1.36 0.73 -1.68 3.77 0.00 -0.90 -3.46 119.26 119.10 1r5x h ALA 18 Ca 0.03 -0.62 -0.65 0.00 0.00 0.00 0.00 54.91 53.67 1r5x h ALA 18 Cb 0.78 -0.11 0.09 0.00 0.00 0.00 0.00 17.79 18.55 1r5x h ALA 18 CO 0.06 0.85 0.12 1.58 0.00 0.00 0.00 179.25 181.86 1r5x n HIS 19 N -3.52 1.02 1.99 0.00 -0.00 -0.56 -0.24 115.22 113.91 1r5x n HIS 19 Ca -0.00 0.74 0.08 0.00 -0.00 0.00 0.00 57.72 58.54 1r5x n HIS 19 Cb 0.72 -2.22 0.48 0.00 -0.00 0.00 0.00 29.99 28.97 1r5x n HIS 19 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1r5x n PRO 20 N 1.37 1.01 -2.75 1.57 -0.04 -1.26 -5.04 135.00 129.85 1r5x n PRO 20 Ca 0.14 -0.01 -0.24 0.00 -0.04 0.00 0.00 63.50 63.35 1r5x n PRO 20 Cb 0.26 -1.25 0.02 0.00 -0.04 0.00 0.00 33.50 32.48 1r5x n PRO 20 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1r5x s ASP 21 N -1.51 5.68 0.14 3.54 1.01 0.67 -4.66 116.67 121.54 1r5x s ASP 21 Ca 0.24 0.38 -0.22 0.00 0.71 0.00 0.00 52.55 53.66 1r5x s ASP 21 Cb 0.11 -1.50 -0.08 0.00 1.01 0.00 0.00 42.92 42.47 1r5x s ASP 21 CO 0.19 -0.88 0.69 -1.61 0.21 0.00 0.00 175.17 173.77 1r5x s GLU 22 N -4.72 4.39 -0.14 8.23 2.02 -1.26 -4.71 118.70 122.51 1r5x s GLU 22 Ca 0.51 0.96 -0.07 0.00 0.02 0.00 0.00 54.97 56.39 1r5x s GLU 22 Cb -0.10 -3.19 -0.04 0.00 0.10 0.00 0.00 34.13 30.90 1r5x s GLU 22 CO 0.40 0.57 0.12 0.12 0.02 0.00 0.00 175.26 176.49 1r5x s PHE 23 N -1.20 3.50 -0.02 1.61 5.36 -1.26 -4.90 117.98 121.08 1r5x s PHE 23 Ca 0.35 0.43 -0.01 0.00 -0.96 0.00 0.00 56.93 56.73 1r5x s PHE 23 Cb -0.21 -1.99 0.00 0.00 -0.34 0.00 0.00 43.02 40.49 1r5x s PHE 23 CO 0.23 0.58 0.04 -1.50 -1.46 0.00 0.00 175.22 173.11 1r5x s ILE 24 N -0.61 -0.00 0.27 3.12 2.07 -1.26 -0.94 121.20 123.84 1r5x s ILE 24 Ca 0.12 0.01 -0.21 0.00 -1.41 0.00 0.00 60.65 59.17 1r5x s ILE 24 Cb -0.12 -0.07 0.05 0.00 0.13 0.00 0.00 42.46 42.45 1r5x s ILE 24 CO 0.02 0.00 0.84 0.00 -1.91 0.00 0.00 174.94 173.89 1r5x s ALA 25 N 0.07 -1.25 0.10 1.50 0.00 -0.26 -4.53 121.76 117.39 1r5x s ALA 25 Ca -0.00 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.66 1r5x s ALA 25 Cb -0.01 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 1r5x s ALA 25 CO -0.00 -1.03 0.14 -0.51 0.00 0.00 0.00 175.76 174.35 1r5x s LEU 26 N -3.03 3.96 0.07 0.00 1.43 0.41 -1.54 118.68 119.98 1r5x s LEU 26 Ca 0.14 0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.30 1r5x s LEU 26 Cb -0.04 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.54 1r5x s LEU 26 CO 0.07 0.14 0.06 -0.76 0.23 0.00 0.00 176.35 176.08 1r5x s LEU 27 N -2.65 3.71 0.00 1.79 1.43 0.78 -0.78 118.68 122.96 1r5x s LEU 27 Ca 0.31 -0.03 -0.17 0.00 -1.03 0.00 0.00 54.13 53.22 1r5x s LEU 27 Cb -0.12 -2.36 0.06 0.00 0.03 0.00 0.00 46.19 43.80 1r5x s LEU 27 CO 0.24 0.19 0.85 -0.24 0.23 0.00 0.00 176.35 177.62 1r5x n SER 28 N 0.63 -2.13 0.00 2.29 2.88 -0.81 -1.39 113.62 115.09 1r5x n SER 28 Ca -0.10 -2.39 0.00 0.00 -1.33 0.00 0.00 58.87 55.05 1r5x n SER 28 Cb 0.52 3.53 0.00 0.00 -0.75 0.00 0.00 64.21 67.50 1r5x n SER 28 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1r5x n GLY 29 N -0.58 -0.78 2.97 0.46 0.00 -1.26 -0.70 105.19 105.30 1r5x n GLY 29 Ca -0.07 -0.98 -0.22 0.00 0.00 0.00 0.00 46.02 44.75 1r5x n GLY 29 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r5x s SER 30 N -4.00 1.36 1.50 1.61 1.04 -1.20 -4.97 113.70 109.04 1r5x s SER 30 Ca 0.00 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.21 1r5x s SER 30 Cb 0.00 -0.60 0.00 0.00 0.10 0.00 0.00 66.02 65.52 1r5x s SER 30 CO 0.00 0.01 0.00 0.29 0.98 0.00 0.00 173.24 174.52 1r5x n LYS 31 N 3.81 0.00 -0.68 4.02 5.02 -1.26 -3.22 118.16 125.86 1r5x n LYS 31 Ca -0.23 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.06 1r5x n LYS 31 Cb 0.52 0.00 0.20 0.00 -0.02 0.00 0.00 35.03 35.73 1r5x n LYS 31 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1r5x n ASP 32 N 9.96 2.41 -3.77 4.39 8.00 -1.26 -4.97 116.55 131.31 1r5x n ASP 32 Ca 0.00 -3.69 -0.22 0.00 0.71 0.00 0.00 54.79 51.59 1r5x n ASP 32 Cb 0.00 -0.59 -0.17 0.00 -0.02 0.00 0.00 41.12 40.34 1r5x n ASP 32 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1r5x s VAL 33 N -3.18 0.31 -0.41 2.53 1.01 -1.20 -1.46 120.40 118.00 1r5x s VAL 33 Ca 0.42 0.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.25 1r5x s VAL 33 Cb 0.38 -0.46 0.02 0.00 0.00 0.00 0.00 36.38 36.32 1r5x s VAL 33 CO -0.01 0.24 1.21 -0.04 0.00 0.00 0.00 175.10 176.49 1r5x s MET 34 N 1.81 3.78 -0.00 2.72 -1.94 0.90 -3.26 119.30 123.31 1r5x s MET 34 Ca 0.02 0.82 0.00 0.00 -1.71 0.00 0.00 55.69 54.82 1r5x s MET 34 Cb -0.13 -3.90 0.00 0.00 2.01 0.00 0.00 34.83 32.82 1r5x s MET 34 CO -0.04 -1.30 0.62 -0.40 -0.01 0.00 0.00 175.02 173.88 1r5x n ASP 35 N 7.84 0.00 -4.26 3.03 3.85 -0.88 -0.94 116.55 125.20 1r5x n ASP 35 Ca 0.13 -1.23 -0.31 0.00 -0.71 0.00 0.00 54.79 52.67 1r5x n ASP 35 Cb 0.48 -0.05 -0.17 0.00 -1.35 0.00 0.00 41.12 40.04 1r5x n ASP 35 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1r5x s GLU 36 N -0.00 2.62 -0.16 0.11 2.02 0.13 -4.90 118.70 118.51 1r5x s GLU 36 Ca 0.00 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 54.10 1r5x s GLU 36 Cb 0.00 -2.17 -0.00 0.00 0.10 0.00 0.00 34.13 32.06 1r5x s GLU 36 CO 0.00 0.34 -0.15 -1.17 0.02 0.00 0.00 175.26 174.30 1r5x s LEU 37 N -0.07 2.47 -0.23 1.80 2.96 -1.26 -1.93 118.68 122.42 1r5x s LEU 37 Ca -0.06 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.37 1r5x s LEU 37 Cb -0.14 -1.56 0.03 0.00 0.50 0.00 0.00 46.19 45.01 1r5x s LEU 37 CO 0.05 0.07 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.40 1r5x s ILE 38 N 0.87 2.46 0.20 6.68 1.01 0.04 -4.99 121.20 127.48 1r5x s ILE 38 Ca -0.04 -1.10 -0.19 0.00 0.00 0.00 0.00 60.65 59.31 1r5x s ILE 38 Cb -0.15 -2.22 -0.08 0.00 0.01 0.00 0.00 42.46 40.02 1r5x s ILE 38 CO -0.01 0.28 0.70 -0.36 0.00 0.00 0.00 174.94 175.54 1r5x s PHE 39 N 1.27 3.67 0.37 3.97 0.40 -1.26 -0.45 117.98 125.95 1r5x s PHE 39 Ca 0.00 1.36 -0.25 0.00 -0.60 0.00 0.00 56.93 57.44 1r5x s PHE 39 Cb -0.16 -2.59 -0.10 0.00 0.51 0.00 0.00 43.02 40.68 1r5x s PHE 39 CO -0.07 0.37 1.00 -0.51 0.70 0.00 0.00 175.22 176.71 1r5x s LEU 40 N -1.87 4.22 0.53 -0.37 1.43 -1.26 -4.96 118.68 116.40 1r5x s LEU 40 Ca 0.41 1.94 0.21 0.00 -1.03 0.00 0.00 54.13 55.66 1r5x s LEU 40 Cb -0.17 -4.12 1.36 0.00 0.03 0.00 0.00 46.19 43.30 1r5x s LEU 40 CO 0.21 -0.30 2.08 1.55 0.23 0.00 0.00 176.35 180.13 1r5x h PRO 41 N 2.79 0.00 0.00 1.29 0.13 -1.99 -3.52 132.00 130.69 1r5x h PRO 41 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1r5x h PRO 41 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1r5x h PRO 41 CO 0.63 0.00 0.00 -1.33 -0.23 0.00 0.00 178.00 177.07 1r5x n MET 60 N -4.40 0.00 -2.36 0.86 2.00 -1.26 -5.27 117.12 106.69 1r5x n MET 60 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 57.70 57.32 1r5x n MET 60 Cb 0.32 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.51 1r5x n MET 60 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1r5x s LYS 61 N -3.95 4.53 -0.27 0.03 1.02 -1.26 -5.02 119.74 114.82 1r5x s LYS 61 Ca 0.00 1.93 -0.04 0.00 0.02 0.00 0.00 55.97 57.88 1r5x s LYS 61 Cb 0.00 -3.17 0.02 0.00 -0.52 0.00 0.00 37.83 34.16 1r5x s LYS 61 CO 0.00 0.04 0.00 0.08 -0.92 0.00 0.00 175.35 174.55 1r5x s VAL 62 N -0.86 3.36 0.15 3.17 1.01 -1.26 -4.65 120.40 121.31 1r5x s VAL 62 Ca 0.48 -0.90 0.12 0.00 0.00 0.00 0.00 61.98 61.68 1r5x s VAL 62 Cb -0.34 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 1r5x s VAL 62 CO 0.43 0.13 1.53 -0.26 0.00 0.00 0.00 175.10 176.93 1r5x h PHE 63 N 8.11 0.00 0.00 5.22 0.05 -1.56 -3.32 116.94 125.43 1r5x h PHE 63 Ca -0.31 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.48 1r5x h PHE 63 Cb 1.11 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.06 1r5x h PHE 63 CO 0.59 0.64 0.00 0.41 -0.18 0.00 0.00 178.31 179.78 1r5x n GLY 64 N 0.67 -0.52 3.35 -1.45 0.00 -1.20 -0.75 105.19 105.28 1r5x n GLY 64 Ca -0.00 -0.91 -0.18 0.00 0.00 0.00 0.00 46.02 44.93 1r5x n GLY 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r5x s THR 65 N -3.32 0.91 -0.09 2.61 -4.23 -0.35 -0.16 115.64 111.02 1r5x s THR 65 Ca 0.00 -2.01 -0.08 0.00 -1.18 0.00 0.00 61.69 58.41 1r5x s THR 65 Cb 0.00 -2.51 0.02 0.00 1.34 0.00 0.00 72.50 71.36 1r5x s THR 65 CO 0.00 -0.17 0.24 0.54 -0.54 0.00 0.00 174.62 174.68 1r5x s VAL 66 N -3.50 -0.00 0.15 2.29 0.11 -0.59 -0.50 120.40 118.36 1r5x s VAL 66 Ca 0.33 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 59.16 1r5x s VAL 66 Cb 0.07 -0.34 0.07 0.00 -1.53 0.00 0.00 36.38 34.65 1r5x s VAL 66 CO 0.11 0.00 0.58 -1.38 -3.33 0.00 0.00 175.10 171.08 1r5x s HIS 67 N 0.16 -0.50 0.39 1.54 -3.43 -0.90 -1.11 115.29 111.44 1r5x s HIS 67 Ca -0.00 0.30 0.08 0.00 -0.80 0.00 0.00 55.06 54.63 1r5x s HIS 67 Cb -0.02 0.52 -0.06 0.00 -1.43 0.00 0.00 32.58 31.59 1r5x s HIS 67 CO 0.00 -0.83 0.09 -1.54 -2.00 0.00 0.00 174.74 170.47 1r5x s SER 68 N -2.72 4.22 -0.06 7.38 1.04 -0.12 -2.00 113.70 121.45 1r5x s SER 68 Ca 0.01 -1.13 0.02 0.00 0.48 0.00 0.00 55.95 55.33 1r5x s SER 68 Cb -0.01 -0.47 0.02 0.00 0.10 0.00 0.00 66.02 65.66 1r5x s SER 68 CO -0.12 -0.44 -0.09 -1.00 0.98 0.00 0.00 173.24 172.57 1r5x s HIS 69 N -2.61 1.19 -2.00 5.02 3.76 -0.07 -4.39 115.29 116.20 1r5x s HIS 69 Ca 0.38 -0.42 0.09 0.00 -0.15 0.00 0.00 55.06 54.97 1r5x s HIS 69 Cb 0.04 -0.92 0.56 0.00 1.11 0.00 0.00 32.58 33.37 1r5x s HIS 69 CO 0.21 -0.25 1.06 -0.35 -0.85 0.00 0.00 174.74 174.55 1r5x n PRO 70 N 3.93 0.59 -4.42 8.40 -0.04 -1.26 -2.30 135.00 139.90 1r5x n PRO 70 Ca -0.23 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 62.99 1r5x n PRO 70 Cb 0.51 -1.25 -0.11 0.00 -0.04 0.00 0.00 33.50 32.62 1r5x n PRO 70 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1r5x s SER 71 N -1.70 3.26 0.00 3.54 1.04 -1.26 -4.64 113.70 113.94 1r5x s SER 71 Ca 0.14 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.62 1r5x s SER 71 Cb 0.06 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.94 1r5x s SER 71 CO 0.11 0.03 0.00 -2.65 0.98 0.00 0.00 173.24 171.71 1r5x n PRO 72 N -0.16 0.00 -5.05 4.02 -0.02 -1.25 -2.75 135.00 129.79 1r5x n PRO 72 Ca -0.09 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.10 1r5x n PRO 72 Cb 0.58 -1.10 -0.17 0.00 -0.02 0.00 0.00 33.50 32.79 1r5x n PRO 72 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1r5x s SER 73 N -0.43 2.67 0.00 2.55 0.15 -1.26 -4.90 113.70 112.47 1r5x s SER 73 Ca 0.00 -0.46 0.23 0.00 0.70 0.00 0.00 55.95 56.42 1r5x s SER 73 Cb 0.00 -0.96 0.36 0.00 -1.71 0.00 0.00 66.02 63.71 1r5x s SER 73 CO 0.00 0.17 1.35 0.00 1.20 0.00 0.00 173.24 175.96 1r5x s ARG 75 N -1.61 4.23 0.40 0.00 1.81 -1.26 -4.86 118.95 117.67 1r5x s ARG 75 Ca 0.35 2.33 -0.27 0.00 -1.72 0.00 0.00 55.73 56.43 1r5x s ARG 75 Cb 0.22 -3.15 -0.10 0.00 -0.45 0.00 0.00 34.95 31.47 1r5x s ARG 75 CO 0.31 -0.55 1.46 -2.30 -0.68 0.00 0.00 175.30 173.54 1r5x n PRO 76 N 3.51 2.50 -2.87 3.54 -0.02 -1.26 -5.01 135.00 135.38 1r5x n PRO 76 Ca 0.12 0.88 -0.22 0.00 -2.02 0.00 0.00 63.50 62.26 1r5x n PRO 76 Cb 0.39 -2.64 0.02 0.00 -0.02 0.00 0.00 33.50 31.25 1r5x n PRO 76 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1r5x s SER 77 N -0.26 5.60 0.22 2.55 1.04 -1.26 -4.93 113.70 116.66 1r5x s SER 77 Ca 0.56 0.10 -0.11 0.00 0.48 0.00 0.00 55.95 56.98 1r5x s SER 77 Cb -0.47 -1.20 0.30 0.00 0.10 0.00 0.00 66.02 64.75 1r5x s SER 77 CO 0.61 -0.87 1.64 -0.33 0.98 0.00 0.00 173.24 175.28 1r5x h GLU 78 N 0.31 0.07 -0.46 4.02 5.08 -2.01 -0.27 114.58 121.31 1r5x h GLU 78 Ca -0.44 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1r5x h GLU 78 Cb 1.27 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 1r5x h GLU 78 CO 0.54 0.04 0.26 0.93 -1.00 0.00 0.00 179.01 179.79 1r5x h GLU 79 N 0.07 0.63 -0.86 2.33 5.08 -2.01 -2.76 114.58 117.06 1r5x h GLU 79 Ca 0.33 -0.07 0.17 0.00 -1.00 0.00 0.00 59.36 58.80 1r5x h GLU 79 Cb 0.54 -0.13 -0.11 0.00 0.50 0.00 0.00 28.75 29.55 1r5x h GLU 79 CO -0.60 0.49 0.42 -0.44 -1.00 0.00 0.00 179.01 177.88 1r5x h ASP 80 N 0.60 0.45 -0.44 1.42 3.32 -1.43 0.46 116.42 120.80 1r5x h ASP 80 Ca 0.16 0.12 0.12 0.00 0.02 0.00 0.00 57.03 57.45 1r5x h ASP 80 Cb 0.03 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1r5x h ASP 80 CO -0.03 0.13 0.31 -0.07 -1.72 0.00 0.00 179.24 177.87 1r5x h LEU 81 N 0.53 0.04 0.07 1.55 3.38 -1.11 0.16 115.31 119.93 1r5x h LEU 81 Ca 0.50 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.21 1r5x h LEU 81 Cb 0.81 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1r5x h LEU 81 CO -0.43 0.02 -1.22 -1.28 0.09 0.00 0.00 178.44 175.63 1r5x h SER 82 N 0.04 0.23 -0.28 -0.43 0.87 -0.17 -3.31 113.55 110.51 1r5x h SER 82 Ca 0.21 -0.27 -0.14 0.00 -1.23 0.00 0.00 61.79 60.35 1r5x h SER 82 Cb 0.78 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 1r5x h SER 82 CO -0.01 1.21 -0.36 0.25 -0.53 0.00 0.00 176.83 177.40 1r5x h LEU 83 N 0.04 0.86 -2.36 2.23 5.85 0.28 -3.11 115.31 119.09 1r5x h LEU 83 Ca -0.11 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 1r5x h LEU 83 Cb 1.90 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.69 1r5x h LEU 83 CO 0.16 1.12 -0.03 -0.26 -0.34 0.00 0.00 178.44 179.09 1r5x h PHE 84 N 0.67 0.00 -0.01 1.25 0.05 -0.95 -2.65 116.94 115.31 1r5x h PHE 84 Ca 0.06 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.85 1r5x h PHE 84 Cb 0.91 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.86 1r5x h PHE 84 CO 0.05 0.03 -0.03 0.25 -0.18 0.00 0.00 178.31 178.43 1r5x n THR 85 N -3.38 0.00 -0.04 -1.55 -2.24 -1.18 -4.41 114.28 101.50 1r5x n THR 85 Ca -0.02 -0.10 -0.05 0.00 -2.27 0.00 0.00 64.05 61.61 1r5x n THR 85 Cb 0.16 -0.04 -0.04 0.00 -2.10 0.00 0.00 70.33 68.31 1r5x n THR 85 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1r5x n ARG 86 N -0.58 0.53 -3.95 -0.78 1.74 -1.00 -4.98 116.66 107.64 1r5x n ARG 86 Ca 0.20 0.04 -0.32 0.00 -0.77 0.00 0.00 57.85 56.99 1r5x n ARG 86 Cb 0.24 -1.15 -0.14 0.00 -1.02 0.00 0.00 32.46 30.39 1r5x n ARG 86 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1r5x s PHE 87 N -2.15 3.69 0.10 -1.55 0.40 -1.24 -5.07 117.98 112.16 1r5x s PHE 87 Ca -0.09 -2.87 0.00 0.00 -0.60 0.00 0.00 56.93 53.37 1r5x s PHE 87 Cb 0.02 -3.00 0.00 0.00 0.51 0.00 0.00 43.02 40.55 1r5x s PHE 87 CO 0.18 -0.94 0.00 0.41 0.70 0.00 0.00 175.22 175.57 1r5x n GLY 88 N 4.26 -2.09 0.01 4.36 0.00 -1.25 -3.62 105.19 106.86 1r5x n GLY 88 Ca 0.03 -1.39 0.11 0.00 0.00 0.00 0.00 46.02 44.76 1r5x n GLY 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r5x n LYS 89 N -1.94 0.60 -4.45 1.61 5.02 0.07 -4.76 118.16 114.31 1r5x n LYS 89 Ca 0.00 -0.17 -0.34 0.00 -2.02 0.00 0.00 58.31 55.79 1r5x n LYS 89 Cb 0.20 -1.53 -0.13 0.00 -0.02 0.00 0.00 35.03 33.55 1r5x n LYS 89 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1r5x s TYR 90 N -3.47 2.97 -0.17 2.13 1.51 -0.51 -3.67 117.35 116.15 1r5x s TYR 90 Ca -0.06 -0.44 -0.01 0.00 -1.01 0.00 0.00 57.07 55.54 1r5x s TYR 90 Cb 0.14 -1.95 0.05 0.00 -0.11 0.00 0.00 41.96 40.09 1r5x s TYR 90 CO 0.90 -0.13 -0.02 -1.01 -1.11 0.00 0.00 175.55 174.19 1r5x s HIS 91 N 0.47 1.37 -0.06 2.71 3.76 0.14 -1.21 115.29 122.48 1r5x s HIS 91 Ca -0.05 -0.92 -0.08 0.00 -0.15 0.00 0.00 55.06 53.86 1r5x s HIS 91 Cb -0.15 -1.16 -0.05 0.00 1.11 0.00 0.00 32.58 32.34 1r5x s HIS 91 CO 0.03 -0.58 0.23 0.42 -0.85 0.00 0.00 174.74 173.99 1r5x s ILE 92 N 1.74 5.35 -0.11 0.60 1.01 0.35 0.18 121.20 130.32 1r5x s ILE 92 Ca 0.00 0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.98 1r5x s ILE 92 Cb -0.16 -3.52 0.01 0.00 0.01 0.00 0.00 42.46 38.81 1r5x s ILE 92 CO -0.07 0.53 -0.17 -0.63 0.00 0.00 0.00 174.94 174.59 1r5x s ILE 93 N -1.13 1.65 -0.07 2.92 1.01 0.15 -2.11 121.20 123.62 1r5x s ILE 93 Ca 0.21 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 60.16 1r5x s ILE 93 Cb -0.13 -1.48 -0.02 0.00 0.01 0.00 0.00 42.46 40.83 1r5x s ILE 93 CO 0.10 0.47 -0.19 -0.69 0.00 0.00 0.00 174.94 174.63 1r5x s VAL 94 N 0.91 2.63 0.18 2.92 1.01 -0.85 -1.33 120.40 125.87 1r5x s VAL 94 Ca -0.08 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1r5x s VAL 94 Cb -0.15 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 1r5x s VAL 94 CO -0.01 0.57 -0.03 0.00 0.00 0.00 0.00 175.10 175.63 1r5x n TYR 96 N -0.28 1.53 1.06 0.00 9.36 -0.97 -0.24 117.16 127.62 1r5x n TYR 96 Ca -0.07 0.62 0.02 0.00 3.32 0.00 0.00 57.90 61.79 1r5x n TYR 96 Cb 0.63 -2.29 0.09 0.00 -0.63 0.00 0.00 39.34 37.13 1r5x n TYR 96 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1r5x n PRO 97 N 0.53 1.64 -3.27 2.98 -0.04 -1.26 -3.88 135.00 131.70 1r5x n PRO 97 Ca 0.08 -0.69 -0.17 0.00 -0.04 0.00 0.00 63.50 62.68 1r5x n PRO 97 Cb 0.35 -1.37 0.06 0.00 -0.04 0.00 0.00 33.50 32.50 1r5x n PRO 97 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1r5x n TYR 98 N 0.08 -2.04 -2.57 0.54 4.02 0.67 -4.97 117.16 112.89 1r5x n TYR 98 Ca 0.06 0.73 -0.13 0.00 -0.01 0.00 0.00 57.90 58.55 1r5x n TYR 98 Cb 0.29 -3.94 0.07 0.00 -0.02 0.00 0.00 39.34 35.74 1r5x n TYR 98 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1r5x n ASP 99 N -1.81 0.89 0.00 7.72 5.68 -1.26 -4.85 116.55 122.91 1r5x n ASP 99 Ca -0.01 -1.72 0.04 0.00 -0.50 0.00 0.00 54.79 52.60 1r5x n ASP 99 Cb 0.55 -0.36 0.19 0.00 -1.14 0.00 0.00 41.12 40.36 1r5x n ASP 99 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1r5x n GLU 100 N -2.03 0.09 -0.20 0.11 1.02 -1.26 -2.03 120.64 116.33 1r5x n GLU 100 Ca 0.10 0.25 0.09 0.00 -0.02 0.00 0.00 57.16 57.58 1r5x n GLU 100 Cb 0.35 -1.50 0.18 0.00 -0.02 0.00 0.00 31.44 30.45 1r5x n GLU 100 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1r5x n ASN 101 N -1.33 2.77 -1.04 1.62 3.02 -1.26 -4.69 115.26 114.35 1r5x n ASN 101 Ca 0.03 -3.10 0.00 0.00 -0.03 0.00 0.00 54.58 51.48 1r5x n ASN 101 Cb 0.07 -0.47 0.22 0.00 -0.61 0.00 0.00 39.78 38.98 1r5x n ASN 101 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1r5x n SER 102 N -1.17 2.93 -4.12 6.41 7.64 -0.86 -5.00 113.62 119.45 1r5x n SER 102 Ca 0.18 -3.51 -0.12 0.00 1.01 0.00 0.00 58.87 56.44 1r5x n SER 102 Cb 0.72 -0.60 -0.11 0.00 -1.01 0.00 0.00 64.21 63.21 1r5x n SER 102 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 1r5x s TRP 103 N -3.10 0.78 0.05 1.43 1.48 -1.26 -0.02 118.94 118.30 1r5x s TRP 103 Ca 0.43 -0.72 -0.06 0.00 -1.06 0.00 0.00 56.10 54.69 1r5x s TRP 103 Cb 0.38 -0.46 -0.01 0.00 -1.16 0.00 0.00 33.47 32.22 1r5x s TRP 103 CO 0.03 -0.12 0.12 0.15 -4.06 0.00 0.00 176.95 173.07 1r5x s LYS 104 N -2.79 0.67 0.06 3.25 1.02 -0.44 -4.98 119.74 116.53 1r5x s LYS 104 Ca 0.02 -0.82 0.06 0.00 0.02 0.00 0.00 55.97 55.24 1r5x s LYS 104 Cb -0.02 0.26 -0.04 0.00 -0.52 0.00 0.00 37.83 37.52 1r5x s LYS 104 CO -0.02 -0.18 -0.12 0.00 -0.92 0.00 0.00 175.35 174.11 1r5x s TYR 106 N -1.07 0.86 0.56 0.00 1.51 0.13 -0.68 117.35 118.67 1r5x s TYR 106 Ca 0.18 -0.85 0.09 0.00 -1.01 0.00 0.00 57.07 55.48 1r5x s TYR 106 Cb -0.11 -0.50 0.08 0.00 -0.11 0.00 0.00 41.96 41.32 1r5x s TYR 106 CO 0.09 -0.14 0.73 0.54 -1.11 0.00 0.00 175.55 175.67 1r5x s ASN 107 N -2.82 5.07 0.55 2.29 2.20 -0.68 -0.68 114.94 120.87 1r5x s ASN 107 Ca 0.09 -0.88 0.33 0.00 -0.94 0.00 0.00 52.86 51.46 1r5x s ASN 107 Cb 0.03 0.26 1.49 0.00 -2.00 0.00 0.00 41.25 41.03 1r5x s ASN 107 CO -0.04 -1.28 1.83 0.03 -2.94 0.00 0.00 177.10 174.71 1r5x h ARG 108 N 0.28 0.00 -0.44 3.55 3.08 -1.77 0.22 114.38 119.29 1r5x h ARG 108 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1r5x h ARG 108 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 1r5x h ARG 108 CO 0.43 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.96 1r5x n LYS 109 N -4.10 2.04 -0.95 0.04 5.02 -1.26 -4.45 118.16 114.49 1r5x n LYS 109 Ca 0.20 -1.49 0.00 0.00 -2.02 0.00 0.00 58.31 54.99 1r5x n LYS 109 Cb 1.05 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.69 1r5x n LYS 109 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r5x n GLY 110 N 1.09 0.48 3.82 0.72 0.00 0.76 -5.01 105.19 107.05 1r5x n GLY 110 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1r5x n GLY 110 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r5x s GLU 111 N -0.46 4.23 0.24 1.61 2.02 -1.26 -4.77 118.70 120.30 1r5x s GLU 111 Ca 0.00 1.14 -0.30 0.00 0.02 0.00 0.00 54.97 55.83 1r5x s GLU 111 Cb 0.00 -2.20 -0.09 0.00 0.10 0.00 0.00 34.13 31.94 1r5x s GLU 111 CO 0.00 -0.03 1.22 -2.00 0.02 0.00 0.00 175.26 174.47 1r5x s GLU 112 N -3.15 4.48 -0.03 1.61 2.12 -1.26 -1.69 118.70 120.78 1r5x s GLU 112 Ca 0.62 1.96 0.06 0.00 0.36 0.00 0.00 54.97 57.97 1r5x s GLU 112 Cb -0.10 -3.19 -0.01 0.00 0.26 0.00 0.00 34.13 31.10 1r5x s GLU 112 CO 0.14 -0.07 -0.20 0.08 -0.54 0.00 0.00 175.26 174.67 1r5x s VAL 113 N -0.48 1.57 -0.39 3.70 1.01 0.15 -4.88 120.40 121.09 1r5x s VAL 113 Ca 0.51 -0.83 -0.27 0.00 0.00 0.00 0.00 61.98 61.39 1r5x s VAL 113 Cb -0.35 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 34.73 1r5x s VAL 113 CO 0.41 0.45 0.98 -0.70 0.00 0.00 0.00 175.10 176.24 1r5x s GLU 114 N -0.29 3.82 -0.28 2.72 2.56 -1.26 -4.05 118.70 121.92 1r5x s GLU 114 Ca 0.03 0.61 0.03 0.00 0.00 0.00 0.00 54.97 55.64 1r5x s GLU 114 Cb -0.09 -3.82 0.07 0.00 2.00 0.00 0.00 34.13 32.29 1r5x s GLU 114 CO 0.00 -1.04 -0.05 -1.17 -0.56 0.00 0.00 175.26 172.44 1r5x s LEU 115 N 3.69 3.66 0.35 2.70 2.96 -1.26 -5.02 118.68 125.76 1r5x s LEU 115 Ca 0.41 -1.58 -0.16 0.00 -0.22 0.00 0.00 54.13 52.57 1r5x s LEU 115 Cb -0.11 -1.51 -0.09 0.00 0.50 0.00 0.00 46.19 44.98 1r5x s LEU 115 CO 0.21 -0.25 0.79 -1.61 -1.32 0.00 0.00 176.35 174.16 1r5x s GLU 116 N 1.10 4.05 0.03 1.98 2.02 -1.26 -4.87 118.70 121.74 1r5x s GLU 116 Ca -0.03 0.77 -0.19 0.00 0.02 0.00 0.00 54.97 55.55 1r5x s GLU 116 Cb -0.20 -2.37 -0.06 0.00 0.10 0.00 0.00 34.13 31.61 1r5x s GLU 116 CO -0.06 0.11 0.56 0.08 0.02 0.00 0.00 175.26 175.96 1r5x s VAL 117 N -2.03 4.86 0.31 2.63 1.01 -1.26 -1.55 120.40 124.36 1r5x s VAL 117 Ca 0.56 1.17 -0.29 0.00 0.00 0.00 0.00 61.98 63.42 1r5x s VAL 117 Cb -0.10 -3.89 -0.11 0.00 0.00 0.00 0.00 36.38 32.28 1r5x s VAL 117 CO 0.16 0.49 1.55 -0.69 0.00 0.00 0.00 175.10 176.62 1r5x s VAL 118 N -0.66 2.13 0.00 2.92 1.01 -0.44 -4.89 120.40 120.47 1r5x s VAL 118 Ca 0.29 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1r5x s VAL 118 Cb -0.18 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1r5x s VAL 118 CO 0.17 0.02 0.00 -0.62 0.00 0.00 0.00 175.10 174.67