#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 4.16 0.39 -4.42 1.43 -1.26 -5.01 118.68 113.97 1r5x s LEU 0 Ca 0.00 0.88 -0.26 0.00 -1.03 0.00 0.00 54.13 53.72 1r5x s LEU 0 Cb 0.00 -2.92 -0.11 0.00 0.03 0.00 0.00 46.19 43.19 1r5x s LEU 0 CO 0.00 -0.26 1.14 0.80 0.23 0.00 0.00 176.35 178.26 1r5x n MET 1 N 4.94 1.66 -4.18 1.70 0.00 -1.26 -4.94 117.12 115.04 1r5x n MET 1 Ca -0.01 0.59 -0.11 0.00 -0.00 0.00 0.00 57.70 58.17 1r5x n MET 1 Cb 0.50 -2.18 -0.10 0.00 0.00 0.00 0.00 33.22 31.44 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 -2.01 0.97 -0.06 2.12 1.02 -0.50 -4.45 119.74 116.82 1r5x s LYS 2 Ca 0.61 -1.45 0.05 0.00 0.02 0.00 0.00 55.97 55.19 1r5x s LYS 2 Cb -0.56 0.02 -0.02 0.00 -0.52 0.00 0.00 37.83 36.76 1r5x s LYS 2 CO 0.58 -0.18 -0.21 -1.50 -0.92 0.00 0.00 175.35 173.12 1r5x s ILE 3 N -3.86 2.41 0.51 2.17 2.07 -0.79 0.45 121.20 124.15 1r5x s ILE 3 Ca 0.22 -0.94 -0.20 0.00 -1.41 0.00 0.00 60.65 58.32 1r5x s ILE 3 Cb 0.07 -1.91 -0.07 0.00 0.13 0.00 0.00 42.46 40.68 1r5x s ILE 3 CO 0.01 0.57 1.09 -0.94 -1.91 0.00 0.00 174.94 173.76 1r5x s SER 4 N -0.26 6.04 0.19 4.50 1.04 0.47 -1.39 113.70 124.31 1r5x s SER 4 Ca -0.00 2.06 -0.11 0.00 0.48 0.00 0.00 55.95 58.38 1r5x s SER 4 Cb -0.13 -2.57 0.18 0.00 0.10 0.00 0.00 66.02 63.60 1r5x s SER 4 CO 0.03 -0.99 1.81 -0.09 0.98 0.00 0.00 173.24 174.97 1r5x h ARG 5 N 1.42 0.62 -0.53 4.02 9.65 -1.77 -2.33 114.38 125.46 1r5x h ARG 5 Ca -0.50 -0.04 0.06 0.00 -1.10 0.00 0.00 59.98 58.40 1r5x h ARG 5 Cb 1.24 -0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 29.63 1r5x h ARG 5 CO 0.58 0.41 0.24 0.78 2.80 0.00 0.00 179.97 184.78 1r5x h GLY 6 N 0.64 0.74 1.01 2.80 0.00 -1.91 -2.21 103.07 104.14 1r5x h GLY 6 Ca 0.26 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 1r5x h GLY 6 CO -0.15 0.07 0.30 -2.00 0.00 0.00 0.00 176.54 174.76 1r5x h LEU 7 N 0.46 0.93 -0.31 3.11 5.85 -1.74 -2.17 115.31 121.44 1r5x h LEU 7 Ca 0.25 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.86 1r5x h LEU 7 Cb 0.21 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1r5x h LEU 7 CO -0.20 0.83 0.04 0.25 -0.34 0.00 0.00 178.44 179.02 1r5x h LEU 8 N 0.97 -0.03 -0.79 2.25 6.46 -0.90 -0.59 115.31 122.67 1r5x h LEU 8 Ca 0.23 0.06 -0.05 0.00 -0.12 0.00 0.00 57.88 58.00 1r5x h LEU 8 Cb 0.17 0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.15 1r5x h LEU 8 CO -0.02 0.02 0.31 0.11 -0.62 0.00 0.00 178.44 178.24 1r5x h LYS 9 N 0.14 1.19 -0.79 1.25 1.57 -1.23 0.27 116.57 118.97 1r5x h LYS 9 Ca 0.15 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1r5x h LYS 9 Cb 0.17 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 1r5x h LYS 9 CO -0.21 0.97 0.39 1.15 -0.57 0.00 0.00 179.45 181.17 1r5x h THR 10 N 1.16 1.24 0.06 -0.16 2.02 -0.88 0.26 112.91 116.61 1r5x h THR 10 Ca 0.26 -0.67 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 1r5x h THR 10 Cb 0.23 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1r5x h THR 10 CO -0.02 0.29 -0.03 0.40 0.37 0.00 0.00 175.52 176.53 1r5x h ILE 11 N 1.12 1.12 -0.83 3.11 2.04 -0.54 -1.13 117.51 122.39 1r5x h ILE 11 Ca 0.27 -0.61 0.01 0.00 1.00 0.00 0.00 64.86 65.53 1r5x h ILE 11 Cb 0.10 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 1r5x h ILE 11 CO -0.04 0.15 0.55 -0.07 0.00 0.00 0.00 178.15 178.74 1r5x h LEU 12 N -0.35 0.96 -0.42 1.44 3.38 -0.65 -1.14 115.31 118.52 1r5x h LEU 12 Ca -0.01 -0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 1r5x h LEU 12 Cb 0.31 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1r5x h LEU 12 CO 0.01 0.69 -0.51 -0.33 0.09 0.00 0.00 178.44 178.40 1r5x h GLU 13 N 1.13 0.76 -0.20 1.13 5.08 -0.90 -1.67 114.58 119.91 1r5x h GLU 13 Ca 0.30 -0.46 -0.10 0.00 -1.00 0.00 0.00 59.36 58.10 1r5x h GLU 13 Cb -0.13 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1r5x h GLU 13 CO -0.07 1.08 -0.32 0.00 -1.00 0.00 0.00 179.01 178.71 1r5x h ALA 14 N 0.83 1.08 -0.31 3.43 0.00 -0.67 -0.62 119.26 123.00 1r5x h ALA 14 Ca 0.02 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.38 1r5x h ALA 14 Cb 1.08 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1r5x h ALA 14 CO 0.11 0.57 -0.52 0.00 0.00 0.00 0.00 179.25 179.41 1r5x h ALA 15 N 1.31 0.48 -0.66 0.00 0.00 -1.15 -0.69 119.26 118.55 1r5x h ALA 15 Ca 0.05 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1r5x h ALA 15 Cb 0.73 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1r5x h ALA 15 CO 0.06 0.68 0.17 0.87 0.00 0.00 0.00 179.25 181.03 1r5x h LYS 16 N 0.70 1.04 -0.29 0.00 1.57 -1.05 -1.11 116.57 117.43 1r5x h LYS 16 Ca 0.02 -0.23 -0.13 0.00 -1.87 0.00 0.00 60.65 58.44 1r5x h LYS 16 Cb 1.13 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 1r5x h LYS 16 CO 0.12 0.91 -0.37 0.77 -0.57 0.00 0.00 179.45 180.31 1r5x h SER 17 N 0.99 0.70 0.56 0.86 0.02 -0.96 -3.08 113.55 112.64 1r5x h SER 17 Ca 0.21 -0.30 -0.13 0.00 -0.84 0.00 0.00 61.79 60.73 1r5x h SER 17 Cb 0.33 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1r5x h SER 17 CO -0.00 1.00 -0.60 0.00 -1.14 0.00 0.00 176.83 176.09 1r5x h ALA 18 N 1.03 0.99 -1.80 3.77 0.00 -0.85 -3.46 119.26 118.95 1r5x h ALA 18 Ca 0.05 -0.54 -0.63 0.00 0.00 0.00 0.00 54.91 53.79 1r5x h ALA 18 Cb 0.89 -0.09 0.09 0.00 0.00 0.00 0.00 17.79 18.68 1r5x h ALA 18 CO 0.08 0.74 0.18 1.58 0.00 0.00 0.00 179.25 181.83 1r5x n HIS 19 N -3.84 1.21 1.81 0.00 -0.00 -0.45 0.14 115.22 114.10 1r5x n HIS 19 Ca -0.01 0.70 0.05 0.00 -0.00 0.00 0.00 57.72 58.46 1r5x n HIS 19 Cb 0.60 -2.25 0.28 0.00 -0.00 0.00 0.00 29.99 28.62 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 1.34 1.15 -2.66 1.57 -0.04 -1.26 -5.03 135.00 130.07 1r5x n PRO 20 Ca 0.13 -0.24 -0.25 0.00 -0.04 0.00 0.00 63.50 63.10 1r5x n PRO 20 Cb 0.27 -1.19 0.02 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.30 5.80 0.23 3.54 1.01 0.12 -4.69 116.67 121.39 1r5x s ASP 21 Ca 0.17 0.59 -0.18 0.00 0.71 0.00 0.00 52.55 53.84 1r5x s ASP 21 Cb 0.08 -1.74 -0.08 0.00 1.01 0.00 0.00 42.92 42.19 1r5x s ASP 21 CO 0.13 -0.84 0.71 -1.61 0.21 0.00 0.00 175.17 173.77 1r5x s GLU 22 N -4.78 4.18 -0.08 8.23 2.02 -1.26 -4.71 118.70 122.29 1r5x s GLU 22 Ca 0.51 0.79 0.00 0.00 0.02 0.00 0.00 54.97 56.29 1r5x s GLU 22 Cb -0.10 -2.80 -0.03 0.00 0.10 0.00 0.00 34.13 31.30 1r5x s GLU 22 CO 0.42 0.36 -0.06 0.12 0.02 0.00 0.00 175.26 176.12 1r5x s PHE 23 N -1.60 2.96 -0.01 1.61 5.36 -1.26 -4.92 117.98 120.12 1r5x s PHE 23 Ca 0.45 -0.04 -0.01 0.00 -0.96 0.00 0.00 56.93 56.37 1r5x s PHE 23 Cb -0.15 -1.75 0.00 0.00 -0.34 0.00 0.00 43.02 40.78 1r5x s PHE 23 CO 0.20 0.27 0.03 -1.50 -1.46 0.00 0.00 175.22 172.76 1r5x s ILE 24 N -0.61 -0.00 0.27 3.12 2.07 -1.26 -0.96 121.20 123.83 1r5x s ILE 24 Ca 0.09 0.02 -0.19 0.00 -1.41 0.00 0.00 60.65 59.16 1r5x s ILE 24 Cb -0.12 -0.05 0.01 0.00 0.13 0.00 0.00 42.46 42.44 1r5x s ILE 24 CO 0.02 0.01 0.66 0.00 -1.91 0.00 0.00 174.94 173.71 1r5x s ALA 25 N 0.10 -0.94 0.01 1.50 0.00 -0.18 -4.92 121.76 117.33 1r5x s ALA 25 Ca -0.01 -0.48 -0.02 0.00 0.00 0.00 0.00 51.96 51.46 1r5x s ALA 25 Cb -0.01 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 23.97 1r5x s ALA 25 CO -0.00 -0.99 0.20 -0.51 0.00 0.00 0.00 175.76 174.46 1r5x s LEU 26 N -2.95 4.37 0.07 0.00 1.43 0.28 -1.40 118.68 120.48 1r5x s LEU 26 Ca 0.14 0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.59 1r5x s LEU 26 Cb -0.05 -2.73 -0.04 0.00 0.03 0.00 0.00 46.19 43.40 1r5x s LEU 26 CO 0.08 0.23 0.21 -0.76 0.23 0.00 0.00 176.35 176.34 1r5x s LEU 27 N -2.11 4.33 0.23 1.79 1.43 0.14 -0.41 118.68 124.09 1r5x s LEU 27 Ca 0.30 0.24 -0.21 0.00 -1.03 0.00 0.00 54.13 53.43 1r5x s LEU 27 Cb -0.13 -2.93 0.07 0.00 0.03 0.00 0.00 46.19 43.23 1r5x s LEU 27 CO 0.21 0.16 0.95 -0.55 0.23 0.00 0.00 176.35 177.35 1r5x s SER 28 N -2.59 -0.03 0.00 2.29 0.15 -0.51 -1.21 113.70 111.79 1r5x s SER 28 Ca 0.35 -0.75 0.00 0.00 0.70 0.00 0.00 55.95 56.24 1r5x s SER 28 Cb -0.13 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1r5x s SER 28 CO 0.28 -1.17 0.00 0.61 1.20 0.00 0.00 173.24 174.16 1r5x n GLY 29 N -0.62 -0.97 3.36 9.45 0.00 -1.26 -1.60 105.19 113.55 1r5x n GLY 29 Ca -0.05 -0.92 -0.37 0.00 0.00 0.00 0.00 46.02 44.68 1r5x n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r5x s SER 30 N -4.00 4.98 0.81 1.61 0.01 -0.97 -4.93 113.70 111.22 1r5x s SER 30 Ca 0.00 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.74 1r5x s SER 30 Cb 0.00 -1.87 0.00 0.00 0.21 0.00 0.00 66.02 64.36 1r5x s SER 30 CO 0.00 -0.12 0.00 0.29 0.41 0.00 0.00 173.24 173.82 1r5x n LYS 31 N 4.87 0.00 -1.26 12.44 5.02 -1.26 -2.33 118.16 135.64 1r5x n LYS 31 Ca -0.16 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.10 1r5x n LYS 31 Cb 0.49 0.00 0.12 0.00 -0.02 0.00 0.00 35.03 35.63 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 7.56 2.50 -3.70 4.39 9.92 -1.26 -4.97 116.55 130.99 1r5x n ASP 32 Ca 0.00 -3.49 -0.21 0.00 -0.53 0.00 0.00 54.79 50.56 1r5x n ASP 32 Cb 0.00 -0.44 -0.18 0.00 -0.64 0.00 0.00 41.12 39.86 1r5x n ASP 32 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1r5x s VAL 33 N -3.24 0.06 -0.31 2.53 1.01 -0.98 -1.41 120.40 118.05 1r5x s VAL 33 Ca 0.40 0.30 -0.29 0.00 0.00 0.00 0.00 61.98 62.40 1r5x s VAL 33 Cb 0.38 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 36.48 1r5x s VAL 33 CO -0.05 0.19 1.09 -0.04 0.00 0.00 0.00 175.10 176.29 1r5x s MET 34 N 2.10 4.07 0.00 2.72 -1.94 0.17 -2.28 119.30 124.14 1r5x s MET 34 Ca 0.05 1.10 0.08 0.00 -1.71 0.00 0.00 55.69 55.21 1r5x s MET 34 Cb -0.12 -3.74 0.13 0.00 2.01 0.00 0.00 34.83 33.11 1r5x s MET 34 CO -0.04 -0.90 1.04 -0.40 -0.01 0.00 0.00 175.02 174.72 1r5x n ASP 35 N 6.87 0.29 -3.77 3.03 3.85 -1.02 -0.39 116.55 125.41 1r5x n ASP 35 Ca 0.12 -1.98 -0.13 0.00 -0.71 0.00 0.00 54.79 52.09 1r5x n ASP 35 Cb 0.47 -0.22 -0.10 0.00 -1.35 0.00 0.00 41.12 39.91 1r5x n ASP 35 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 1r5x s GLU 36 N 0.00 0.43 -0.06 0.11 2.12 -0.63 -4.86 118.70 115.81 1r5x s GLU 36 Ca 0.10 0.30 0.04 0.00 0.36 0.00 0.00 54.97 55.76 1r5x s GLU 36 Cb 0.12 0.20 -0.02 0.00 0.26 0.00 0.00 34.13 34.69 1r5x s GLU 36 CO -0.05 -0.07 -0.17 -1.17 -0.54 0.00 0.00 175.26 173.26 1r5x s LEU 37 N -0.16 2.56 -0.11 2.70 2.96 -1.26 -1.43 118.68 123.94 1r5x s LEU 37 Ca -0.03 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.60 1r5x s LEU 37 Cb -0.03 -1.51 0.02 0.00 0.50 0.00 0.00 46.19 45.16 1r5x s LEU 37 CO 0.01 0.30 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.59 1r5x s ILE 38 N -0.45 1.32 -0.23 6.68 1.01 0.45 -4.96 121.20 125.02 1r5x s ILE 38 Ca 0.05 -0.51 -0.06 0.00 0.00 0.00 0.00 60.65 60.13 1r5x s ILE 38 Cb -0.12 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 1r5x s ILE 38 CO 0.02 0.41 0.03 -0.36 0.00 0.00 0.00 174.94 175.04 1r5x s PHE 39 N 1.24 3.06 -0.36 3.97 0.40 -1.26 -0.55 117.98 124.47 1r5x s PHE 39 Ca -0.02 -0.47 -0.10 0.00 -0.60 0.00 0.00 56.93 55.75 1r5x s PHE 39 Cb -0.14 -2.16 0.03 0.00 0.51 0.00 0.00 43.02 41.26 1r5x s PHE 39 CO -0.04 -0.31 0.18 -0.51 0.70 0.00 0.00 175.22 175.23 1r5x s LEU 40 N 1.33 4.61 0.19 -0.37 1.43 -1.26 -5.07 118.68 119.54 1r5x s LEU 40 Ca 0.05 -1.06 0.10 0.00 -1.03 0.00 0.00 54.13 52.19 1r5x s LEU 40 Cb -0.15 -1.97 0.56 0.00 0.03 0.00 0.00 46.19 44.66 1r5x s LEU 40 CO 0.02 -0.37 1.24 -0.81 0.23 0.00 0.00 176.35 176.66 1r5x n PRO 41 N 4.94 0.07 0.00 1.29 -0.04 -1.26 -5.14 135.00 134.85 1r5x n PRO 41 Ca -0.12 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 1r5x n PRO 41 Cb 0.45 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 1r5x n PRO 41 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1r5x n MET 60 N -1.84 0.00 -2.83 0.54 0.00 -1.26 -5.31 117.12 106.41 1r5x n MET 60 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.28 1r5x n MET 60 Cb 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.33 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 -4.72 4.33 -0.17 2.12 1.02 -1.26 -5.04 119.74 116.02 1r5x s LYS 61 Ca 0.00 1.13 0.01 0.00 0.02 0.00 0.00 55.97 57.12 1r5x s LYS 61 Cb 0.00 -3.56 0.02 0.00 -0.52 0.00 0.00 37.83 33.77 1r5x s LYS 61 CO 0.00 -0.33 -0.17 0.08 -0.92 0.00 0.00 175.35 174.01 1r5x s VAL 62 N 2.12 1.83 -0.08 3.17 1.01 -1.26 -4.76 120.40 122.43 1r5x s VAL 62 Ca 0.41 -0.80 0.18 0.00 0.00 0.00 0.00 61.98 61.77 1r5x s VAL 62 Cb -0.17 -1.68 0.13 0.00 0.00 0.00 0.00 36.38 34.66 1r5x s VAL 62 CO 0.14 0.50 1.58 -0.26 0.00 0.00 0.00 175.10 177.06 1r5x h PHE 63 N 7.99 0.00 0.00 5.22 0.05 -1.50 -3.35 116.94 125.35 1r5x h PHE 63 Ca -0.42 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.37 1r5x h PHE 63 Cb 1.14 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.09 1r5x h PHE 63 CO 0.47 0.39 0.00 0.41 -0.18 0.00 0.00 178.31 179.40 1r5x n GLY 64 N 0.86 -0.51 3.36 -1.45 0.00 -1.19 -1.05 105.19 105.21 1r5x n GLY 64 Ca 0.01 -0.89 -0.18 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.54 1.08 -0.15 2.61 -4.23 -0.43 0.27 115.64 111.25 1r5x s THR 65 Ca 0.00 -2.03 -0.08 0.00 -1.18 0.00 0.00 61.69 58.39 1r5x s THR 65 Cb 0.00 -2.45 0.05 0.00 1.34 0.00 0.00 72.50 71.44 1r5x s THR 65 CO 0.00 -0.24 0.36 0.54 -0.54 0.00 0.00 174.62 174.74 1r5x s VAL 66 N -3.38 -0.03 0.12 2.29 0.11 -0.49 -0.44 120.40 118.58 1r5x s VAL 66 Ca 0.31 0.11 -0.07 0.00 -2.93 0.00 0.00 61.98 59.39 1r5x s VAL 66 Cb 0.06 -0.55 -0.01 0.00 -1.53 0.00 0.00 36.38 34.35 1r5x s VAL 66 CO 0.11 0.04 0.20 -1.38 -3.33 0.00 0.00 175.10 170.74 1r5x s HIS 67 N 1.34 0.38 0.25 1.54 -3.43 -0.65 -1.02 115.29 113.71 1r5x s HIS 67 Ca -0.09 -0.79 0.09 0.00 -0.80 0.00 0.00 55.06 53.47 1r5x s HIS 67 Cb -0.09 -0.14 -0.04 0.00 -1.43 0.00 0.00 32.58 30.88 1r5x s HIS 67 CO -0.11 -0.61 0.01 -1.54 -2.00 0.00 0.00 174.74 170.49 1r5x s SER 68 N -2.94 4.63 -0.13 7.38 1.04 -0.14 -1.07 113.70 122.46 1r5x s SER 68 Ca 0.13 -0.59 0.02 0.00 0.48 0.00 0.00 55.95 56.00 1r5x s SER 68 Cb 0.05 -0.90 0.01 0.00 0.10 0.00 0.00 66.02 65.28 1r5x s SER 68 CO -0.04 0.01 -0.20 -1.00 0.98 0.00 0.00 173.24 172.99 1r5x s HIS 69 N -2.21 2.47 -1.51 5.02 3.76 0.45 -4.41 115.29 118.86 1r5x s HIS 69 Ca 0.31 -1.25 0.10 0.00 -0.15 0.00 0.00 55.06 54.07 1r5x s HIS 69 Cb -0.07 -1.71 0.52 0.00 1.11 0.00 0.00 32.58 32.44 1r5x s HIS 69 CO 0.20 -0.59 1.19 -0.35 -0.85 0.00 0.00 174.74 174.34 1r5x n PRO 70 N 4.16 0.17 -4.36 8.40 -0.04 -1.26 -2.34 135.00 139.73 1r5x n PRO 70 Ca -0.20 0.16 -0.24 0.00 -0.04 0.00 0.00 63.50 63.19 1r5x n PRO 70 Cb 0.51 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.39 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 -2.49 4.16 0.00 3.54 1.04 -1.26 -4.63 113.70 114.07 1r5x s SER 71 Ca 0.10 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.76 1r5x s SER 71 Cb 0.07 -0.63 0.00 0.00 0.10 0.00 0.00 66.02 65.56 1r5x s SER 71 CO 0.15 0.03 0.05 -2.65 0.98 0.00 0.00 173.24 171.80 1r5x n PRO 72 N -0.69 0.07 -4.60 4.02 -0.02 -1.26 -3.11 135.00 129.42 1r5x n PRO 72 Ca -0.06 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.09 1r5x n PRO 72 Cb 0.59 -1.25 -0.15 0.00 -0.02 0.00 0.00 33.50 32.67 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 0.03 3.56 0.00 2.55 0.15 -1.26 -4.90 113.70 113.83 1r5x s SER 73 Ca 0.00 -0.49 0.25 0.00 0.70 0.00 0.00 55.95 56.41 1r5x s SER 73 Cb 0.00 -1.54 0.51 0.00 -1.71 0.00 0.00 66.02 63.28 1r5x s SER 73 CO 0.00 0.09 1.44 0.00 1.20 0.00 0.00 173.24 175.97 1r5x s ARG 75 N -1.90 4.27 0.39 0.00 1.81 -1.26 -4.84 118.95 117.42 1r5x s ARG 75 Ca 0.33 2.10 -0.27 0.00 -1.72 0.00 0.00 55.73 56.17 1r5x s ARG 75 Cb 0.20 -2.97 -0.09 0.00 -0.45 0.00 0.00 34.95 31.65 1r5x s ARG 75 CO 0.31 -0.22 1.29 -2.14 -0.68 0.00 0.00 175.30 173.86 1r5x s PRO 76 N -1.91 4.06 0.44 3.54 0.02 -1.26 -5.03 135.00 134.85 1r5x s PRO 76 Ca 0.51 2.14 0.04 0.00 0.02 0.00 0.00 61.00 63.70 1r5x s PRO 76 Cb -0.37 -2.82 0.01 0.00 0.02 0.00 0.00 34.50 31.34 1r5x s PRO 76 CO 0.49 -0.41 0.62 -1.54 -0.33 0.00 0.00 177.00 175.83 1r5x s SER 77 N -0.72 5.71 0.25 2.53 1.04 -1.26 -4.93 113.70 116.31 1r5x s SER 77 Ca 0.55 -0.03 -0.06 0.00 0.48 0.00 0.00 55.95 56.88 1r5x s SER 77 Cb -0.38 -1.15 0.46 0.00 0.10 0.00 0.00 66.02 65.05 1r5x s SER 77 CO 0.49 -0.74 1.64 -0.33 0.98 0.00 0.00 173.24 175.28 1r5x h GLU 78 N 0.50 0.12 -0.37 4.02 5.08 -2.01 0.15 114.58 122.06 1r5x h GLU 78 Ca -0.44 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 57.83 1r5x h GLU 78 Cb 1.27 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1r5x h GLU 78 CO 0.53 0.08 -0.11 0.93 -1.00 0.00 0.00 179.01 179.43 1r5x h GLU 79 N 0.12 0.66 -1.01 2.33 4.39 -2.00 -2.90 114.58 116.17 1r5x h GLU 79 Ca 0.42 -0.20 0.08 0.00 0.34 0.00 0.00 59.36 60.00 1r5x h GLU 79 Cb 0.75 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.27 1r5x h GLU 79 CO -0.65 0.75 0.65 -0.44 -1.16 0.00 0.00 179.01 178.16 1r5x h ASP 80 N 0.60 1.01 0.13 1.42 3.32 -1.06 0.34 116.42 122.18 1r5x h ASP 80 Ca 0.11 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1r5x h ASP 80 Cb 0.55 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 1r5x h ASP 80 CO 0.03 0.62 -0.11 -0.07 -1.72 0.00 0.00 179.24 177.99 1r5x h LEU 81 N 1.13 0.00 0.03 1.55 4.07 -1.26 0.28 115.31 121.11 1r5x h LEU 81 Ca 0.45 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 58.15 1r5x h LEU 81 Cb 0.25 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.00 1r5x h LEU 81 CO -0.20 0.11 -1.16 -1.28 -1.08 0.00 0.00 178.44 174.83 1r5x h SER 82 N 0.00 0.52 -0.06 -0.43 0.87 -0.49 -3.31 113.55 110.66 1r5x h SER 82 Ca -0.00 -0.51 -0.01 0.00 -1.23 0.00 0.00 61.79 60.04 1r5x h SER 82 Cb 0.20 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1r5x h SER 82 CO 0.01 1.35 -0.01 0.25 -0.53 0.00 0.00 176.83 177.91 1r5x h LEU 83 N 0.15 0.10 -1.03 2.23 5.85 0.64 -3.12 115.31 120.13 1r5x h LEU 83 Ca -0.13 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1r5x h LEU 83 Cb 1.85 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.85 1r5x h LEU 83 CO 0.20 0.42 0.28 -0.26 -0.34 0.00 0.00 178.44 178.74 1r5x h PHE 84 N -0.22 0.00 -0.41 1.25 -1.00 -0.59 -1.98 116.94 113.99 1r5x h PHE 84 Ca 0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1r5x h PHE 84 Cb 0.37 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.93 1r5x h PHE 84 CO 0.04 0.00 0.00 0.25 -1.61 0.00 0.00 178.31 176.99 1r5x n THR 85 N -2.16 0.54 0.00 -1.55 -2.24 -1.18 -4.39 114.28 103.31 1r5x n THR 85 Ca -0.01 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1r5x n THR 85 Cb 0.30 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 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 0.98 0.98 -4.00 -0.78 1.74 -0.74 -5.01 116.66 109.83 1r5x n ARG 86 Ca 0.18 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.94 1r5x n ARG 86 Cb 0.46 -0.91 -0.15 0.00 -1.02 0.00 0.00 32.46 30.83 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 -1.83 3.73 0.05 -1.55 0.40 -1.26 -5.07 117.98 112.46 1r5x s PHE 87 Ca 0.00 -2.92 0.00 0.00 -0.60 0.00 0.00 56.93 53.41 1r5x s PHE 87 Cb 0.00 -2.91 0.00 0.00 0.51 0.00 0.00 43.02 40.62 1r5x s PHE 87 CO 0.00 -0.95 0.00 0.41 0.70 0.00 0.00 175.22 175.38 1r5x n GLY 88 N 4.29 -2.12 0.03 4.36 0.00 -1.26 -3.62 105.19 106.87 1r5x n GLY 88 Ca 0.03 -1.43 0.07 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.36 0.67 -4.48 1.61 5.02 -0.21 -4.79 118.16 114.62 1r5x n LYS 89 Ca 0.00 -0.16 -0.34 0.00 -2.02 0.00 0.00 58.31 55.80 1r5x n LYS 89 Cb 0.10 -1.51 -0.12 0.00 -0.02 0.00 0.00 35.03 33.48 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 -3.28 2.99 -0.14 2.13 1.51 -0.59 -3.84 117.35 116.14 1r5x s TYR 90 Ca -0.08 -0.28 -0.02 0.00 -1.01 0.00 0.00 57.07 55.68 1r5x s TYR 90 Cb 0.12 -1.90 0.04 0.00 -0.11 0.00 0.00 41.96 40.11 1r5x s TYR 90 CO 0.87 0.01 -0.00 -1.01 -1.11 0.00 0.00 175.55 174.31 1r5x s HIS 91 N 0.16 1.07 -0.14 2.71 3.76 0.17 -1.31 115.29 121.71 1r5x s HIS 91 Ca -0.02 -0.65 -0.08 0.00 -0.15 0.00 0.00 55.06 54.15 1r5x s HIS 91 Cb -0.14 -1.02 -0.04 0.00 1.11 0.00 0.00 32.58 32.49 1r5x s HIS 91 CO 0.03 -0.51 0.15 0.42 -0.85 0.00 0.00 174.74 173.99 1r5x s ILE 92 N 1.84 5.46 -0.11 0.60 1.01 0.41 0.29 121.20 130.70 1r5x s ILE 92 Ca 0.02 0.24 0.03 0.00 0.00 0.00 0.00 60.65 60.94 1r5x s ILE 92 Cb -0.15 -3.44 0.01 0.00 0.01 0.00 0.00 42.46 38.89 1r5x s ILE 92 CO -0.07 0.56 -0.21 -0.63 0.00 0.00 0.00 174.94 174.60 1r5x s ILE 93 N -0.61 1.88 0.07 2.92 1.01 -0.44 -1.64 121.20 124.39 1r5x s ILE 93 Ca 0.14 -0.89 0.07 0.00 0.00 0.00 0.00 60.65 59.97 1r5x s ILE 93 Cb -0.12 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 1r5x s ILE 93 CO 0.03 0.52 -0.14 -0.69 0.00 0.00 0.00 174.94 174.65 1r5x s VAL 94 N 0.68 3.09 0.11 2.92 1.01 -0.24 -1.76 120.40 126.21 1r5x s VAL 94 Ca -0.12 -1.23 -0.01 0.00 0.00 0.00 0.00 61.98 60.63 1r5x s VAL 94 Cb -0.16 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1r5x s VAL 94 CO 0.02 0.22 0.03 0.00 0.00 0.00 0.00 175.10 175.38 1r5x n TYR 96 N -0.04 1.77 0.76 0.00 9.36 -0.99 0.69 117.16 128.71 1r5x n TYR 96 Ca -0.08 0.59 0.02 0.00 3.32 0.00 0.00 57.90 61.75 1r5x n TYR 96 Cb 0.63 -2.33 0.09 0.00 -0.63 0.00 0.00 39.34 37.10 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 0.47 1.79 -3.59 2.98 -0.04 -1.26 -3.97 135.00 131.39 1r5x n PRO 97 Ca 0.07 -0.71 -0.21 0.00 -0.04 0.00 0.00 63.50 62.61 1r5x n PRO 97 Cb 0.36 -1.55 0.07 0.00 -0.04 0.00 0.00 33.50 32.33 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 0.11 -2.30 -2.93 0.54 4.02 0.22 -4.99 117.16 111.83 1r5x n TYR 98 Ca 0.06 0.93 -0.12 0.00 -0.01 0.00 0.00 57.90 58.77 1r5x n TYR 98 Cb 0.40 -4.79 0.04 0.00 -0.02 0.00 0.00 39.34 34.97 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 -3.06 1.15 0.20 7.72 5.68 -1.26 -4.85 116.55 122.13 1r5x n ASP 99 Ca -0.19 -1.85 0.18 0.00 -0.50 0.00 0.00 54.79 52.43 1r5x n ASP 99 Cb 0.63 -0.27 0.77 0.00 -1.14 0.00 0.00 41.12 41.11 1r5x n ASP 99 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1r5x h GLU 100 N 0.00 0.00 -0.12 0.11 5.08 -1.99 -1.68 114.58 115.98 1r5x h GLU 100 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1r5x h GLU 100 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1r5x h GLU 100 CO 0.22 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.32 1r5x n ASN 101 N -3.36 2.98 -2.01 1.42 3.02 -1.26 -4.69 115.26 111.36 1r5x n ASN 101 Ca 0.03 -2.96 -0.16 0.00 -0.03 0.00 0.00 54.58 51.47 1r5x n ASN 101 Cb 0.53 -0.45 0.20 0.00 -0.61 0.00 0.00 39.78 39.45 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 -0.94 3.94 -4.11 6.41 7.64 -0.63 -4.94 113.62 120.99 1r5x n SER 102 Ca 0.17 -3.29 -0.08 0.00 1.01 0.00 0.00 58.87 56.68 1r5x n SER 102 Cb 0.71 -0.77 -0.10 0.00 -1.01 0.00 0.00 64.21 63.04 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 -2.82 0.61 0.04 1.43 1.48 -1.26 -0.64 118.94 117.79 1r5x s TRP 103 Ca 0.49 -1.00 -0.07 0.00 -1.06 0.00 0.00 56.10 54.46 1r5x s TRP 103 Cb 0.41 -0.42 -0.01 0.00 -1.16 0.00 0.00 33.47 32.29 1r5x s TRP 103 CO 0.10 -0.31 0.13 0.15 -4.06 0.00 0.00 176.95 172.96 1r5x s LYS 104 N -3.79 0.64 0.04 3.25 1.02 -0.72 -5.00 119.74 115.19 1r5x s LYS 104 Ca 0.07 -0.76 0.06 0.00 0.02 0.00 0.00 55.97 55.37 1r5x s LYS 104 Cb 0.06 0.26 -0.03 0.00 -0.52 0.00 0.00 37.83 37.60 1r5x s LYS 104 CO -0.08 -0.17 -0.15 0.00 -0.92 0.00 0.00 175.35 174.03 1r5x s TYR 106 N -0.98 1.03 0.33 0.00 1.51 0.15 -0.51 117.35 118.88 1r5x s TYR 106 Ca 0.16 -0.84 0.05 0.00 -1.01 0.00 0.00 57.07 55.43 1r5x s TYR 106 Cb -0.11 -0.56 0.05 0.00 -0.11 0.00 0.00 41.96 41.23 1r5x s TYR 106 CO 0.07 -0.06 0.44 0.27 -1.11 0.00 0.00 175.55 175.15 1r5x n ASN 107 N -0.03 1.32 -0.21 2.29 0.23 -0.69 -0.65 115.26 117.52 1r5x n ASN 107 Ca -0.12 -1.92 0.17 0.00 -0.53 0.00 0.00 54.58 52.19 1r5x n ASN 107 Cb 0.60 -0.22 0.50 0.00 -2.08 0.00 0.00 39.78 38.59 1r5x n ASN 107 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 1r5x h ARG 108 N 0.00 0.42 -0.34 -3.83 3.08 -1.77 -0.00 114.38 111.94 1r5x h ARG 108 Ca -0.16 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1r5x h ARG 108 Cb 0.72 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1r5x h ARG 108 CO 0.24 0.27 0.00 1.63 -1.07 0.00 0.00 179.97 181.04 1r5x n LYS 109 N -4.50 1.84 -1.05 0.04 5.02 -1.26 -4.50 118.16 113.74 1r5x n LYS 109 Ca 0.17 -1.29 -0.02 0.00 -2.02 0.00 0.00 58.31 55.15 1r5x n LYS 109 Cb 0.62 -1.30 -0.01 0.00 -0.02 0.00 0.00 35.03 34.32 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 0.53 3.79 0.72 0.00 -0.01 -5.01 105.19 106.30 1r5x n GLY 110 Ca 0.13 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.21 4.46 0.18 1.61 2.02 -1.26 -4.77 118.70 119.74 1r5x s GLU 111 Ca 0.00 1.16 -0.30 0.00 0.02 0.00 0.00 54.97 55.84 1r5x s GLU 111 Cb 0.00 -2.82 -0.09 0.00 0.10 0.00 0.00 34.13 31.32 1r5x s GLU 111 CO 0.00 0.32 1.38 -2.00 0.02 0.00 0.00 175.26 174.98 1r5x s GLU 112 N -2.03 4.33 -0.02 1.61 2.12 -1.26 -1.70 118.70 121.75 1r5x s GLU 112 Ca 0.48 2.14 0.07 0.00 0.36 0.00 0.00 54.97 58.01 1r5x s GLU 112 Cb -0.18 -3.19 -0.02 0.00 0.26 0.00 0.00 34.13 31.01 1r5x s GLU 112 CO 0.23 -0.37 -0.22 0.08 -0.54 0.00 0.00 175.26 174.44 1r5x s VAL 113 N 0.44 1.77 -0.48 3.70 1.01 0.34 -4.91 120.40 122.27 1r5x s VAL 113 Ca 0.60 -0.95 -0.28 0.00 0.00 0.00 0.00 61.98 61.35 1r5x s VAL 113 Cb -0.38 -1.47 0.03 0.00 0.00 0.00 0.00 36.38 34.55 1r5x s VAL 113 CO 0.36 0.50 1.10 -0.70 0.00 0.00 0.00 175.10 176.36 1r5x s GLU 114 N -0.45 3.68 -0.32 2.72 2.56 -1.26 -4.12 118.70 121.52 1r5x s GLU 114 Ca 0.07 0.48 0.01 0.00 0.00 0.00 0.00 54.97 55.52 1r5x s GLU 114 Cb -0.09 -3.91 0.08 0.00 2.00 0.00 0.00 34.13 32.20 1r5x s GLU 114 CO -0.00 -1.36 0.02 -1.17 -0.56 0.00 0.00 175.26 172.19 1r5x s LEU 115 N 4.33 4.23 0.47 2.70 2.96 -1.26 -5.01 118.68 127.09 1r5x s LEU 115 Ca 0.46 -1.67 -0.15 0.00 -0.22 0.00 0.00 54.13 52.55 1r5x s LEU 115 Cb -0.08 -1.67 -0.08 0.00 0.50 0.00 0.00 46.19 44.87 1r5x s LEU 115 CO 0.31 -0.32 0.91 -1.61 -1.32 0.00 0.00 176.35 174.31 1r5x s GLU 116 N 1.10 3.91 -0.14 1.98 2.02 -1.26 -4.88 118.70 121.43 1r5x s GLU 116 Ca 0.00 0.80 -0.11 0.00 0.02 0.00 0.00 54.97 55.68 1r5x s GLU 116 Cb -0.20 -2.23 -0.05 0.00 0.10 0.00 0.00 34.13 31.75 1r5x s GLU 116 CO -0.04 -0.17 0.22 0.08 0.02 0.00 0.00 175.26 175.37 1r5x s VAL 117 N -2.49 5.36 -0.37 2.63 1.01 -1.26 -1.89 120.40 123.38 1r5x s VAL 117 Ca 0.56 0.39 -0.19 0.00 0.00 0.00 0.00 61.98 62.75 1r5x s VAL 117 Cb -0.10 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1r5x s VAL 117 CO 0.30 0.49 0.56 -0.69 0.00 0.00 0.00 175.10 175.76 1r5x s VAL 118 N -0.17 4.96 -2.09 2.92 1.01 -0.48 -4.94 120.40 121.62 1r5x s VAL 118 Ca 0.15 0.34 0.31 0.00 0.00 0.00 0.00 61.98 62.78 1r5x s VAL 118 Cb -0.13 -4.03 0.85 0.00 0.00 0.00 0.00 36.38 33.07 1r5x s VAL 118 CO 0.03 -0.30 2.14 -0.62 0.00 0.00 0.00 175.10 176.36