#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfd n LYS 2 N 0.00 2.28 -3.72 -1.24 5.02 0.55 -4.92 118.16 116.12 1sfd n LYS 2 Ca 0.00 -2.03 -0.13 0.00 -2.02 0.00 0.00 58.31 54.13 1sfd n LYS 2 Cb 0.00 -1.46 -0.08 0.00 -0.02 0.00 0.00 35.03 33.47 1sfd n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sfd s ALA 3 N -1.67 -0.86 0.34 7.82 0.00 -1.26 -1.81 121.76 124.32 1sfd s ALA 3 Ca 0.31 0.30 0.09 0.00 0.00 0.00 0.00 51.96 52.66 1sfd s ALA 3 Cb 0.20 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.46 1sfd s ALA 3 CO 0.29 -0.35 0.02 0.95 0.00 0.00 0.00 175.76 176.67 1sfd s THR 4 N -1.89 2.66 -0.30 0.00 -4.23 -0.46 -4.93 115.64 106.48 1sfd s THR 4 Ca -0.09 -1.95 0.02 0.00 -1.18 0.00 0.00 61.69 58.48 1sfd s THR 4 Cb -0.03 -2.81 0.09 0.00 1.34 0.00 0.00 72.50 71.09 1sfd s THR 4 CO 0.01 -0.20 0.04 -0.63 -0.54 0.00 0.00 174.62 173.30 1sfd s ILE 5 N -2.51 1.64 0.04 2.99 1.01 -1.26 -0.93 121.20 122.17 1sfd s ILE 5 Ca 0.35 -1.76 0.31 0.00 0.00 0.00 0.00 60.65 59.54 1sfd s ILE 5 Cb -0.00 -2.14 0.36 0.00 0.01 0.00 0.00 42.46 40.69 1sfd s ILE 5 CO 0.20 -0.50 1.91 -0.65 0.00 0.00 0.00 174.94 175.89 1sfd h PRO 6 N 7.85 0.00 -3.07 2.79 0.11 -1.96 -3.40 132.00 134.32 1sfd h PRO 6 Ca -0.11 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.52 1sfd h PRO 6 Cb 1.03 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.73 1sfd h PRO 6 CO 0.48 0.04 -0.76 0.45 -0.21 0.00 0.00 178.00 178.00 1sfd s SER 7 N -5.85 2.69 0.25 -2.05 0.15 -1.26 -5.03 113.70 102.60 1sfd s SER 7 Ca 0.02 -0.80 -0.05 0.00 0.70 0.00 0.00 55.95 55.82 1sfd s SER 7 Cb 0.09 -0.32 0.27 0.00 -1.71 0.00 0.00 66.02 64.35 1sfd s SER 7 CO 0.58 -0.36 1.86 -0.33 1.20 0.00 0.00 173.24 176.18 1sfd h GLU 8 N 8.39 1.15 -6.40 5.44 4.39 -1.96 -3.44 114.58 122.16 1sfd h GLU 8 Ca -0.16 -0.15 -0.45 0.00 0.34 0.00 0.00 59.36 58.94 1sfd h GLU 8 Cb 1.11 -0.22 0.01 0.00 -0.10 0.00 0.00 28.75 29.56 1sfd h GLU 8 CO 0.33 0.87 -0.29 -1.12 -1.16 0.00 0.00 179.01 177.64 1sfd s SER 9 N -6.33 5.99 0.65 1.42 0.01 -1.26 -4.70 113.70 109.47 1sfd s SER 9 Ca -0.12 -0.04 -0.18 0.00 1.31 0.00 0.00 55.95 56.93 1sfd s SER 9 Cb 0.17 -1.39 -0.01 0.00 0.21 0.00 0.00 66.02 65.00 1sfd s SER 9 CO 0.82 -0.45 1.24 -2.84 0.41 0.00 0.00 173.24 172.42 1sfd s PRO 10 N -4.24 2.62 0.25 12.44 0.02 -1.26 -4.89 135.00 139.94 1sfd s PRO 10 Ca 0.44 1.89 0.02 0.00 0.02 0.00 0.00 61.00 63.38 1sfd s PRO 10 Cb -0.10 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.50 1sfd s PRO 10 CO 0.32 -1.50 0.06 -0.59 -0.33 0.00 0.00 177.00 174.97 1sfd s PHE 11 N -1.62 1.56 0.25 6.54 -0.71 -0.21 -4.90 117.98 118.90 1sfd s PHE 11 Ca 0.78 -1.09 -0.30 0.00 -1.04 0.00 0.00 56.93 55.29 1sfd s PHE 11 Cb -0.33 -0.93 -0.10 0.00 -1.21 0.00 0.00 43.02 40.46 1sfd s PHE 11 CO 0.38 -0.22 1.38 0.00 -1.34 0.00 0.00 175.22 175.42 1sfd s ALA 12 N -3.62 3.58 0.46 1.99 0.00 -1.26 -0.22 121.76 122.69 1sfd s ALA 12 Ca 0.34 1.26 0.15 0.00 0.00 0.00 0.00 51.96 53.72 1sfd s ALA 12 Cb 0.07 -3.52 1.11 0.00 0.00 0.00 0.00 23.12 20.78 1sfd s ALA 12 CO 0.12 -0.67 2.03 0.00 0.00 0.00 0.00 175.76 177.24 1sfd h ALA 13 N 4.81 2.03 0.00 0.00 0.00 -1.54 -0.45 119.26 124.11 1sfd h ALA 13 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1sfd h ALA 13 Cb 1.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1sfd h ALA 13 CO 0.75 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.88 1sfd h ALA 14 N 1.78 1.00 -0.70 0.00 0.00 -1.90 -1.85 119.26 117.59 1sfd h ALA 14 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1sfd h ALA 14 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1sfd h ALA 14 CO -0.04 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.60 1sfd n GLU 15 N -2.65 2.99 -2.40 0.00 1.02 -0.18 -4.92 120.64 114.51 1sfd n GLU 15 Ca -0.01 -2.70 -0.41 0.00 -0.02 0.00 0.00 57.16 54.01 1sfd n GLU 15 Cb 0.11 -1.64 -0.03 0.00 -0.02 0.00 0.00 31.44 29.86 1sfd n GLU 15 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1sfd s VAL 16 N -1.22 3.75 0.63 2.62 1.01 -0.70 -4.99 120.40 121.49 1sfd s VAL 16 Ca 0.49 1.39 -0.18 0.00 0.00 0.00 0.00 61.98 63.68 1sfd s VAL 16 Cb 0.27 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 1sfd s VAL 16 CO 0.30 0.18 1.19 0.00 0.00 0.00 0.00 175.10 176.77 1sfd s ALA 17 N 0.34 2.46 0.39 5.51 0.00 -1.26 -4.89 121.76 124.30 1sfd s ALA 17 Ca 0.55 0.91 0.09 0.00 0.00 0.00 0.00 51.96 53.51 1sfd s ALA 17 Cb -0.31 -3.43 0.86 0.00 0.00 0.00 0.00 23.12 20.24 1sfd s ALA 17 CO 0.34 -1.30 1.95 -0.44 0.00 0.00 0.00 175.76 176.31 1sfd h ASP 18 N 0.55 0.55 0.94 0.00 5.19 -1.97 -1.71 116.42 119.97 1sfd h ASP 18 Ca -0.49 0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 55.89 1sfd h ASP 18 Cb 1.29 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.69 1sfd h ASP 18 CO 0.54 0.34 -0.17 1.23 -3.12 0.00 0.00 179.24 178.05 1sfd h GLY 19 N 0.61 0.00 -2.89 2.75 0.00 -2.04 -3.48 103.07 98.02 1sfd h GLY 19 Ca 0.32 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 47.10 1sfd h GLY 19 CO -0.11 0.00 0.62 0.00 0.00 0.00 0.00 176.54 177.06 1sfd s ALA 20 N -3.67 2.90 -0.50 3.60 0.00 -0.65 -4.95 121.76 118.49 1sfd s ALA 20 Ca 0.01 1.36 -0.28 0.00 0.00 0.00 0.00 51.96 53.04 1sfd s ALA 20 Cb 0.10 -3.57 0.02 0.00 0.00 0.00 0.00 23.12 19.67 1sfd s ALA 20 CO 0.62 -1.34 1.31 0.42 0.00 0.00 0.00 175.76 176.77 1sfd s ILE 21 N -1.29 3.97 -0.10 0.00 1.01 -1.26 -5.00 121.20 118.53 1sfd s ILE 21 Ca 0.70 0.93 0.01 0.00 0.00 0.00 0.00 60.65 62.28 1sfd s ILE 21 Cb -0.41 -4.45 -0.02 0.00 0.01 0.00 0.00 42.46 37.59 1sfd s ILE 21 CO 0.49 -1.03 -0.11 -0.69 0.00 0.00 0.00 174.94 173.60 1sfd s VAL 22 N 5.28 3.25 -0.24 2.92 1.01 -1.26 -0.83 120.40 130.53 1sfd s VAL 22 Ca 0.53 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 1sfd s VAL 22 Cb -0.10 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 33.95 1sfd s VAL 22 CO 0.29 0.55 -0.03 -0.69 0.00 0.00 0.00 175.10 175.22 1sfd s VAL 23 N -0.18 3.21 0.36 2.92 1.01 0.14 -4.95 120.40 122.91 1sfd s VAL 23 Ca 0.01 -0.78 -0.22 0.00 0.00 0.00 0.00 61.98 60.99 1sfd s VAL 23 Cb -0.13 -2.57 -0.10 0.00 0.00 0.00 0.00 36.38 33.58 1sfd s VAL 23 CO 0.03 0.27 0.90 -1.81 0.00 0.00 0.00 175.10 174.49 1sfd s ASP 24 N 1.41 7.08 -0.19 3.32 1.01 -1.26 -1.25 116.67 126.78 1sfd s ASP 24 Ca 0.03 1.67 -0.01 0.00 0.71 0.00 0.00 52.55 54.95 1sfd s ASP 24 Cb -0.16 -2.52 0.01 0.00 1.01 0.00 0.00 42.92 41.25 1sfd s ASP 24 CO -0.03 -0.20 -0.13 -0.63 0.21 0.00 0.00 175.17 174.39 1sfd s ILE 25 N -1.89 2.70 -0.05 0.77 1.01 0.09 -0.30 121.20 123.53 1sfd s ILE 25 Ca 0.55 -0.73 -0.30 0.00 0.00 0.00 0.00 60.65 60.17 1sfd s ILE 25 Cb -0.13 -2.18 0.07 0.00 0.01 0.00 0.00 42.46 40.22 1sfd s ILE 25 CO 0.18 0.49 0.67 0.00 0.00 0.00 0.00 174.94 176.28 1sfd s ALA 26 N 1.31 -1.75 -1.51 9.38 0.00 -0.43 -0.77 121.76 128.00 1sfd s ALA 26 Ca 0.04 1.31 -0.12 0.00 0.00 0.00 0.00 51.96 53.20 1sfd s ALA 26 Cb -0.14 -0.03 0.08 0.00 0.00 0.00 0.00 23.12 23.03 1sfd s ALA 26 CO -0.07 -0.37 0.92 1.63 0.00 0.00 0.00 175.76 177.87 1sfd n LYS 27 N 0.96 -5.27 -2.33 0.00 4.76 -1.26 -1.63 118.16 113.38 1sfd n LYS 27 Ca -0.19 0.58 -0.19 0.00 -2.87 0.00 0.00 58.31 55.65 1sfd n LYS 27 Cb 0.57 -5.40 -0.01 0.00 -1.84 0.00 0.00 35.03 28.35 1sfd n LYS 27 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1sfd n MET 28 N -4.61 -1.49 -3.90 1.97 2.81 -1.26 -4.98 117.12 105.65 1sfd n MET 28 Ca -0.01 0.92 -0.11 0.00 -1.81 0.00 0.00 57.70 56.69 1sfd n MET 28 Cb 0.55 -5.45 -0.10 0.00 -0.71 0.00 0.00 33.22 27.50 1sfd n MET 28 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1sfd s LYS 29 N -4.90 0.42 -0.07 0.03 1.02 -0.65 -4.75 119.74 110.84 1sfd s LYS 29 Ca 0.00 -0.44 -0.30 0.00 0.02 0.00 0.00 55.97 55.25 1sfd s LYS 29 Cb 0.00 0.17 -0.02 0.00 -0.52 0.00 0.00 37.83 37.46 1sfd s LYS 29 CO 0.00 -0.09 1.04 0.71 -0.92 0.00 0.00 175.35 176.08 1sfd s TYR 30 N -1.35 3.50 -2.03 3.18 2.02 -1.26 -1.31 117.35 120.10 1sfd s TYR 30 Ca -0.14 1.55 0.29 0.00 -0.37 0.00 0.00 57.07 58.39 1sfd s TYR 30 Cb -0.08 -3.22 1.24 0.00 -0.40 0.00 0.00 41.96 39.50 1sfd s TYR 30 CO 0.01 -0.38 1.86 0.39 -1.57 0.00 0.00 175.55 175.86 1sfd n GLU 31 N 4.76 1.11 -3.59 -0.62 1.02 0.59 -3.68 120.64 120.23 1sfd n GLU 31 Ca 0.08 -0.48 -0.27 0.00 -0.02 0.00 0.00 57.16 56.48 1sfd n GLU 31 Cb 0.49 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.31 1sfd n GLU 31 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1sfd n THR 32 N -0.53 0.31 0.83 2.62 -1.04 -1.26 -4.91 114.28 110.29 1sfd n THR 32 Ca 0.18 -4.22 0.12 0.00 -2.04 0.00 0.00 64.05 58.08 1sfd n THR 32 Cb 0.28 -1.94 0.51 0.00 -1.82 0.00 0.00 70.33 67.37 1sfd n THR 32 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1sfd n PRO 33 N 2.20 0.01 -3.71 -2.82 -0.04 -1.24 -3.90 135.00 125.49 1sfd n PRO 33 Ca 0.25 0.09 -0.28 0.00 -0.04 0.00 0.00 63.50 63.51 1sfd n PRO 33 Cb 0.42 -1.51 -0.12 0.00 -0.04 0.00 0.00 33.50 32.26 1sfd n PRO 33 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1sfd s GLU 34 N -3.00 1.61 -0.16 0.54 2.12 -1.26 -0.55 118.70 118.00 1sfd s GLU 34 Ca 0.12 -2.50 -0.16 0.00 0.36 0.00 0.00 54.97 52.78 1sfd s GLU 34 Cb 0.16 -2.52 -0.04 0.00 0.26 0.00 0.00 34.13 31.99 1sfd s GLU 34 CO 0.44 -1.25 0.41 -1.17 -0.54 0.00 0.00 175.26 173.15 1sfd s LEU 35 N -0.34 4.22 -0.21 2.70 2.96 -0.81 -4.95 118.68 122.25 1sfd s LEU 35 Ca 0.24 0.63 -0.07 0.00 -0.22 0.00 0.00 54.13 54.71 1sfd s LEU 35 Cb -0.11 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.99 1sfd s LEU 35 CO -0.10 -0.01 0.06 -1.00 -1.32 0.00 0.00 176.35 173.98 1sfd s HIS 36 N 0.86 3.17 0.38 5.38 3.76 -1.26 -0.23 115.29 127.34 1sfd s HIS 36 Ca 0.21 -0.12 0.05 0.00 -0.15 0.00 0.00 55.06 55.05 1sfd s HIS 36 Cb -0.14 -2.13 -0.02 0.00 1.11 0.00 0.00 32.58 31.39 1sfd s HIS 36 CO 0.08 -0.05 0.19 1.33 -0.85 0.00 0.00 174.74 175.43 1sfd n VAL 37 N 4.07 0.00 -4.41 -0.90 0.24 -0.23 -4.98 118.33 112.13 1sfd n VAL 37 Ca -0.16 -2.35 -0.24 0.00 -2.04 0.00 0.00 64.34 59.55 1sfd n VAL 37 Cb 0.52 0.96 -0.09 0.00 -1.47 0.00 0.00 33.84 33.76 1sfd n VAL 37 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1sfd s LYS 38 N -3.46 1.89 0.12 7.34 1.02 -1.26 -0.87 119.74 124.52 1sfd s LYS 38 Ca 0.27 -1.65 -0.35 0.00 0.02 0.00 0.00 55.97 54.25 1sfd s LYS 38 Cb 0.01 -1.90 -0.16 0.00 -0.52 0.00 0.00 37.83 35.26 1sfd s LYS 38 CO 0.19 0.34 1.40 0.28 -0.92 0.00 0.00 175.35 176.64 1sfd n VAL 39 N -0.72 0.09 0.00 3.17 0.31 -1.26 -1.32 118.33 118.61 1sfd n VAL 39 Ca -0.05 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1sfd n VAL 39 Cb 0.60 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 1sfd n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sfd n GLY 40 N 2.74 1.98 3.79 2.92 0.00 0.31 -5.01 105.19 111.92 1sfd n GLY 40 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1sfd n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sfd s ASP 41 N -1.44 6.38 -0.18 1.61 1.01 -0.43 -4.74 116.67 118.88 1sfd s ASP 41 Ca 0.00 2.05 -0.08 0.00 0.71 0.00 0.00 52.55 55.22 1sfd s ASP 41 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 1sfd s ASP 41 CO 0.00 -0.76 0.10 -0.89 0.21 0.00 0.00 175.17 173.83 1sfd s THR 42 N -1.79 5.15 -0.11 -1.27 2.01 -1.26 -1.28 115.64 117.09 1sfd s THR 42 Ca 0.64 0.09 -0.02 0.00 0.31 0.00 0.00 61.69 62.71 1sfd s THR 42 Cb -0.21 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.96 1sfd s THR 42 CO 0.25 0.48 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.96 1sfd s VAL 43 N 0.11 4.13 -0.14 3.82 1.01 0.07 -4.19 120.40 125.21 1sfd s VAL 43 Ca 0.07 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1sfd s VAL 43 Cb -0.12 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.53 1sfd s VAL 43 CO -0.00 0.57 -0.17 -0.89 0.00 0.00 0.00 175.10 174.61 1sfd s THR 44 N -0.48 1.74 0.07 3.92 2.01 -0.01 -1.00 115.64 121.89 1sfd s THR 44 Ca 0.08 -0.76 -0.18 0.00 0.31 0.00 0.00 61.69 61.14 1sfd s THR 44 Cb -0.12 -1.59 -0.06 0.00 0.01 0.00 0.00 72.50 70.73 1sfd s THR 44 CO 0.02 0.49 0.53 0.26 -0.69 0.00 0.00 174.62 175.23 1sfd s TRP 45 N 1.22 3.76 -0.11 4.92 0.51 0.28 -0.68 118.94 128.85 1sfd s TRP 45 Ca 0.00 1.18 -0.00 0.00 -2.12 0.00 0.00 56.10 55.17 1sfd s TRP 45 Cb -0.14 -2.43 0.02 0.00 -0.81 0.00 0.00 33.47 30.11 1sfd s TRP 45 CO -0.08 0.58 -0.08 0.42 -0.51 0.00 0.00 176.95 177.28 1sfd s ILE 46 N -1.15 1.06 -0.21 2.03 1.01 -0.38 -1.37 121.20 122.18 1sfd s ILE 46 Ca 0.29 -0.33 -0.29 0.00 0.00 0.00 0.00 60.65 60.32 1sfd s ILE 46 Cb -0.18 -1.06 -0.00 0.00 0.01 0.00 0.00 42.46 41.22 1sfd s ILE 46 CO 0.18 0.37 1.20 0.21 0.00 0.00 0.00 174.94 176.90 1sfd s ASN 47 N 1.56 6.94 0.00 3.58 2.47 -0.46 -0.73 114.94 128.30 1sfd s ASN 47 Ca 0.02 1.49 0.26 0.00 0.42 0.00 0.00 52.86 55.06 1sfd s ASN 47 Cb -0.13 -2.54 0.70 0.00 -1.45 0.00 0.00 41.25 37.83 1sfd s ASN 47 CO -0.07 -0.80 1.54 0.54 -3.72 0.00 0.00 177.10 174.59 1sfd n ARG 48 N 6.68 1.60 -4.30 0.43 5.12 0.05 0.22 116.66 126.46 1sfd n ARG 48 Ca 0.13 -1.08 -0.16 0.00 -1.93 0.00 0.00 57.85 54.81 1sfd n ARG 48 Cb 0.46 -1.48 -0.10 0.00 -1.16 0.00 0.00 32.46 30.18 1sfd n ARG 48 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1sfd s GLU 49 N -2.15 1.29 0.22 5.56 -1.05 -1.26 -4.72 118.70 116.59 1sfd s GLU 49 Ca 0.31 -1.66 -0.05 0.00 -0.15 0.00 0.00 54.97 53.42 1sfd s GLU 49 Cb 0.20 -0.37 0.21 0.00 -0.44 0.00 0.00 34.13 33.73 1sfd s GLU 49 CO 0.39 -0.18 1.70 0.00 0.95 0.00 0.00 175.26 178.11 1sfd h ALA 50 N 2.52 0.97 -2.45 -0.84 0.00 -1.95 -3.19 119.26 114.32 1sfd h ALA 50 Ca -0.38 -0.30 -0.55 0.00 0.00 0.00 0.00 54.91 53.69 1sfd h ALA 50 Cb 1.22 -0.20 0.05 0.00 0.00 0.00 0.00 17.79 18.86 1sfd h ALA 50 CO 0.63 0.62 1.00 -0.12 0.00 0.00 0.00 179.25 181.38 1sfd n MET 51 N -4.18 2.58 -2.25 0.00 0.00 -1.26 -4.53 117.12 107.47 1sfd n MET 51 Ca 0.02 0.93 -0.35 0.00 0.00 0.00 0.00 57.70 58.31 1sfd n MET 51 Cb 0.34 -2.78 0.00 0.00 0.00 0.00 0.00 33.22 30.78 1sfd n MET 51 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 1sfd s PRO 52 N 1.91 3.35 0.20 2.12 0.02 -1.26 -4.82 135.00 136.51 1sfd s PRO 52 Ca 0.80 1.61 -0.05 0.00 0.02 0.00 0.00 61.00 63.38 1sfd s PRO 52 Cb -0.56 -2.00 -0.03 0.00 0.02 0.00 0.00 34.50 31.93 1sfd s PRO 52 CO 0.37 -0.85 0.21 -1.01 -0.33 0.00 0.00 177.00 175.39 1sfd s HIS 53 N -1.78 0.85 0.03 6.54 3.76 -0.96 -4.95 115.29 118.77 1sfd s HIS 53 Ca 0.73 -1.14 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 1sfd s HIS 53 Cb -0.24 -0.32 -0.00 0.00 1.11 0.00 0.00 32.58 33.13 1sfd s HIS 53 CO 0.27 -0.71 0.04 0.27 -0.85 0.00 0.00 174.74 173.76 1sfd n ASN 54 N -0.26 -0.11 -4.24 1.40 6.94 -1.26 -0.56 115.26 117.17 1sfd n ASN 54 Ca -0.01 -1.18 -0.27 0.00 -0.02 0.00 0.00 54.58 53.10 1sfd n ASN 54 Cb 0.64 0.21 -0.15 0.00 -2.36 0.00 0.00 39.78 38.12 1sfd n ASN 54 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1sfd s VAL 55 N -2.37 1.70 -0.09 3.53 -7.23 -1.26 -4.40 120.40 110.27 1sfd s VAL 55 Ca 0.03 -1.02 -0.04 0.00 -1.81 0.00 0.00 61.98 59.14 1sfd s VAL 55 Cb -0.00 -1.43 0.05 0.00 0.56 0.00 0.00 36.38 35.56 1sfd s VAL 55 CO 0.02 0.39 0.18 -2.28 -0.31 0.00 0.00 175.10 173.10 1sfd s HIS 56 N -0.60 -0.24 -0.20 2.82 5.04 0.42 -0.19 115.29 122.33 1sfd s HIS 56 Ca 0.08 0.69 -0.05 0.00 -1.54 0.00 0.00 55.06 54.24 1sfd s HIS 56 Cb -0.08 -0.21 -0.02 0.00 0.04 0.00 0.00 32.58 32.31 1sfd s HIS 56 CO 0.00 -0.29 0.00 -0.06 -2.34 0.00 0.00 174.74 172.06 1sfd s PHE 57 N 2.30 3.04 0.89 3.88 0.40 -0.03 -1.12 117.98 127.35 1sfd s PHE 57 Ca 0.02 -0.47 -0.12 0.00 -0.60 0.00 0.00 56.93 55.76 1sfd s PHE 57 Cb -0.12 -2.10 0.13 0.00 0.51 0.00 0.00 43.02 41.44 1sfd s PHE 57 CO -0.06 -0.26 1.10 0.14 0.70 0.00 0.00 175.22 176.84 1sfd s VAL 58 N 1.06 2.54 0.27 -0.44 -7.23 -1.26 -0.81 120.40 114.53 1sfd s VAL 58 Ca 0.02 0.18 -0.29 0.00 -1.81 0.00 0.00 61.98 60.07 1sfd s VAL 58 Cb -0.14 -2.78 -0.14 0.00 0.56 0.00 0.00 36.38 33.87 1sfd s VAL 58 CO 0.02 -0.23 1.17 0.00 -0.31 0.00 0.00 175.10 175.74 1sfd n ALA 59 N -3.79 0.27 0.00 1.32 0.00 -1.26 -1.88 120.51 115.17 1sfd n ALA 59 Ca 0.07 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1sfd n ALA 59 Cb 0.57 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.90 1sfd n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sfd n GLY 60 N 1.41 1.91 0.06 0.00 0.00 0.07 -4.86 105.19 103.77 1sfd n GLY 60 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 1sfd n GLY 60 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1sfd h VAL 61 N 0.00 0.55 -0.01 1.61 2.07 -1.66 -3.39 116.25 115.42 1sfd h VAL 61 Ca 0.00 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.12 1sfd h VAL 61 Cb 0.00 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1sfd h VAL 61 CO 0.00 0.19 -0.35 0.18 0.02 0.00 0.00 177.57 177.61 1sfd n LEU 62 N -4.74 1.57 -3.97 2.57 4.77 -1.26 -4.88 117.00 111.06 1sfd n LEU 62 Ca -0.03 -0.75 0.04 0.00 -0.03 0.00 0.00 56.01 55.24 1sfd n LEU 62 Cb 0.15 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.25 1sfd n LEU 62 CO 0.11 0.30 1.19 -0.83 -1.33 0.00 0.00 177.39 176.83 1sfd s GLY 63 N -1.91 -0.24 0.43 -0.72 0.00 -1.26 -0.33 107.32 103.29 1sfd s GLY 63 Ca 0.13 0.25 0.11 0.00 0.00 0.00 0.00 44.72 45.21 1sfd s GLY 63 CO 0.41 5.86 2.01 0.83 0.00 0.00 0.00 173.10 182.21 1sfd h GLU 64 N 2.00 0.22 -6.00 2.90 5.08 -1.97 0.22 114.58 117.03 1sfd h GLU 64 Ca -0.22 -0.03 -0.56 0.00 -1.00 0.00 0.00 59.36 57.56 1sfd h GLU 64 Cb 1.18 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.31 1sfd h GLU 64 CO 0.30 0.25 -0.52 0.00 -1.00 0.00 0.00 179.01 178.04 1sfd s ALA 65 N -4.97 3.54 0.63 3.43 0.00 -1.26 -3.71 121.76 119.41 1sfd s ALA 65 Ca -0.06 -1.98 -0.18 0.00 0.00 0.00 0.00 51.96 49.74 1sfd s ALA 65 Cb 0.16 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 1sfd s ALA 65 CO 0.71 -0.07 1.27 0.00 0.00 0.00 0.00 175.76 177.67 1sfd s ALA 66 N -2.52 2.45 -0.41 0.00 0.00 -1.26 -4.09 121.76 115.93 1sfd s ALA 66 Ca 0.40 1.15 -0.06 0.00 0.00 0.00 0.00 51.96 53.44 1sfd s ALA 66 Cb 0.01 -3.52 0.09 0.00 0.00 0.00 0.00 23.12 19.70 1sfd s ALA 66 CO 0.23 -1.44 0.22 -1.17 0.00 0.00 0.00 175.76 173.60 1sfd s LEU 67 N -4.24 5.10 -0.42 0.00 0.20 0.01 -4.89 118.68 114.42 1sfd s LEU 67 Ca 0.81 -1.70 -0.15 0.00 0.69 0.00 0.00 54.13 53.78 1sfd s LEU 67 Cb -0.35 -1.90 0.03 0.00 -0.43 0.00 0.00 46.19 43.54 1sfd s LEU 67 CO 0.37 -0.52 0.32 -0.54 -0.29 0.00 0.00 176.35 175.69 1sfd s LYS 68 N 1.30 2.96 0.86 1.98 1.02 -1.26 -0.85 119.74 125.76 1sfd s LYS 68 Ca 0.04 -1.11 -0.11 0.00 0.02 0.00 0.00 55.97 54.81 1sfd s LYS 68 Cb -0.23 -4.01 0.11 0.00 -0.52 0.00 0.00 37.83 33.18 1sfd s LYS 68 CO -0.01 -0.82 1.10 0.20 -0.92 0.00 0.00 175.35 174.90 1sfd s GLY 69 N 1.92 1.65 0.63 -3.33 0.00 0.74 -4.99 107.32 103.93 1sfd s GLY 69 Ca 0.05 0.19 -0.16 0.00 0.00 0.00 0.00 44.72 44.80 1sfd s GLY 69 CO 0.09 0.62 1.10 2.56 0.00 0.00 0.00 173.10 177.47 1sfd s PRO 70 N -4.84 2.99 0.19 2.90 0.04 -1.26 -4.69 135.00 130.33 1sfd s PRO 70 Ca 0.63 1.38 -0.32 0.00 0.04 0.00 0.00 61.00 62.73 1sfd s PRO 70 Cb -0.19 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.26 1sfd s PRO 70 CO 0.57 -1.10 1.72 1.41 0.04 0.00 0.00 177.00 179.65 1sfd s MET 71 N -3.98 4.14 -0.19 4.56 -2.45 -1.26 -4.61 119.30 115.51 1sfd s MET 71 Ca 0.67 2.58 -0.03 0.00 -1.25 0.00 0.00 55.69 57.66 1sfd s MET 71 Cb -0.20 -3.16 -0.01 0.00 1.25 0.00 0.00 34.83 32.71 1sfd s MET 71 CO 0.38 -0.75 -0.06 -1.64 1.05 0.00 0.00 175.02 174.01 1sfd s MET 72 N 1.41 3.45 0.79 4.11 -1.94 0.27 -4.78 119.30 122.61 1sfd s MET 72 Ca 0.75 -0.61 -0.05 0.00 -1.71 0.00 0.00 55.69 54.07 1sfd s MET 72 Cb -0.49 -2.92 0.17 0.00 2.01 0.00 0.00 34.83 33.61 1sfd s MET 72 CO 0.33 -0.01 1.08 1.63 -0.01 0.00 0.00 175.02 178.04 1sfd n LYS 73 N 4.25 -0.48 -1.70 2.03 5.02 -1.26 -2.28 118.16 123.75 1sfd n LYS 73 Ca -0.18 -2.45 -0.44 0.00 -2.02 0.00 0.00 58.31 53.22 1sfd n LYS 73 Cb 0.52 -0.87 -0.03 0.00 -0.02 0.00 0.00 35.03 34.62 1sfd n LYS 73 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1sfd n LYS 74 N -3.12 2.32 -2.72 1.97 4.81 -1.21 -1.66 118.16 118.56 1sfd n LYS 74 Ca 0.16 0.83 -0.22 0.00 -0.87 0.00 0.00 58.31 58.21 1sfd n LYS 74 Cb 0.57 -2.56 0.01 0.00 0.02 0.00 0.00 35.03 33.07 1sfd n LYS 74 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1sfd n GLU 75 N 2.57 -3.31 -4.14 1.64 -0.58 0.13 -4.99 120.64 111.97 1sfd n GLU 75 Ca 0.12 0.95 -0.30 0.00 -0.42 0.00 0.00 57.16 57.51 1sfd n GLU 75 Cb 0.33 -5.71 -0.08 0.00 -0.57 0.00 0.00 31.44 25.40 1sfd n GLU 75 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1sfd s GLN 76 N -5.39 2.56 0.20 3.49 -0.21 -0.66 -1.38 119.66 118.27 1sfd s GLN 76 Ca 0.16 -0.83 0.09 0.00 0.02 0.00 0.00 55.36 54.79 1sfd s GLN 76 Cb -0.07 -2.55 -0.05 0.00 1.00 0.00 0.00 33.01 31.35 1sfd s GLN 76 CO 0.19 0.54 -0.16 0.00 -2.12 0.00 0.00 175.29 173.74 1sfd s ALA 77 N -1.30 2.12 -0.20 6.09 0.00 0.69 -1.35 121.76 127.82 1sfd s ALA 77 Ca 0.25 -1.64 -0.17 0.00 0.00 0.00 0.00 51.96 50.40 1sfd s ALA 77 Cb -0.12 -0.14 0.05 0.00 0.00 0.00 0.00 23.12 22.92 1sfd s ALA 77 CO 0.18 0.15 0.53 -0.47 0.00 0.00 0.00 175.76 176.15 1sfd s TYR 78 N -2.63 -0.61 0.14 0.00 5.04 -0.47 -1.04 117.35 117.77 1sfd s TYR 78 Ca 0.22 1.44 0.09 0.00 -2.44 0.00 0.00 57.07 56.38 1sfd s TYR 78 Cb -0.03 0.23 -0.04 0.00 0.35 0.00 0.00 41.96 42.47 1sfd s TYR 78 CO 0.08 -0.30 -0.20 -1.12 -1.34 0.00 0.00 175.55 172.67 1sfd s SER 79 N 0.45 2.68 -0.00 4.32 0.01 -1.26 -0.55 113.70 119.34 1sfd s SER 79 Ca -0.01 -0.78 0.01 0.00 1.31 0.00 0.00 55.95 56.48 1sfd s SER 79 Cb -0.04 -0.16 -0.00 0.00 0.21 0.00 0.00 66.02 66.03 1sfd s SER 79 CO -0.01 0.02 -0.05 -0.76 0.41 0.00 0.00 173.24 172.85 1sfd s LEU 80 N -2.30 2.02 -0.26 2.44 1.43 -0.17 -4.22 118.68 117.62 1sfd s LEU 80 Ca 0.12 -0.11 -0.07 0.00 -1.03 0.00 0.00 54.13 53.04 1sfd s LEU 80 Cb -0.08 -0.23 -0.01 0.00 0.03 0.00 0.00 46.19 45.90 1sfd s LEU 80 CO 0.06 0.04 0.07 -0.89 0.23 0.00 0.00 176.35 175.85 1sfd s THR 81 N -0.18 4.15 -0.21 5.49 2.01 -0.11 -0.75 115.64 126.04 1sfd s THR 81 Ca 0.01 -0.36 -0.17 0.00 0.31 0.00 0.00 61.69 61.48 1sfd s THR 81 Cb -0.02 -3.00 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 1sfd s THR 81 CO -0.00 0.26 0.46 -0.36 -0.69 0.00 0.00 174.62 174.28 1sfd s PHE 82 N 1.57 3.35 -0.83 4.92 0.40 -0.41 -1.36 117.98 125.63 1sfd s PHE 82 Ca 0.05 0.67 0.08 0.00 -0.60 0.00 0.00 56.93 57.12 1sfd s PHE 82 Cb -0.16 -2.61 0.13 0.00 0.51 0.00 0.00 43.02 40.89 1sfd s PHE 82 CO 0.03 -0.09 0.93 0.25 0.70 0.00 0.00 175.22 177.04 1sfd n THR 83 N 4.57 0.44 -3.76 0.64 -2.24 -0.75 -0.53 114.28 112.65 1sfd n THR 83 Ca -0.06 -0.72 -0.13 0.00 -2.27 0.00 0.00 64.05 60.86 1sfd n THR 83 Cb 0.51 0.87 -0.14 0.00 -2.10 0.00 0.00 70.33 69.47 1sfd n THR 83 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1sfd s GLU 84 N -0.80 0.11 0.37 -0.78 2.12 -1.26 -4.78 118.70 113.68 1sfd s GLU 84 Ca 0.12 0.33 -0.28 0.00 0.36 0.00 0.00 54.97 55.51 1sfd s GLU 84 Cb 0.07 -0.13 -0.10 0.00 0.26 0.00 0.00 34.13 34.23 1sfd s GLU 84 CO 0.10 -0.13 1.42 0.00 -0.54 0.00 0.00 175.26 176.10 1sfd s ALA 85 N 0.94 3.49 0.00 6.30 0.00 -1.26 -4.85 121.76 126.39 1sfd s ALA 85 Ca -0.07 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1sfd s ALA 85 Cb -0.09 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1sfd s ALA 85 CO -0.05 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.18 1sfd n GLY 86 N 0.58 -1.63 3.20 0.00 0.00 -0.52 -5.00 105.19 101.82 1sfd n GLY 86 Ca 0.01 -1.32 -0.32 0.00 0.00 0.00 0.00 46.02 44.40 1sfd n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sfd s THR 87 N -2.61 2.04 -0.27 2.61 2.01 -1.26 -0.51 115.64 117.66 1sfd s THR 87 Ca 0.00 -0.99 0.02 0.00 0.31 0.00 0.00 61.69 61.02 1sfd s THR 87 Cb 0.00 -1.78 0.07 0.00 0.01 0.00 0.00 72.50 70.80 1sfd s THR 87 CO 0.00 0.55 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.14 1sfd s TYR 88 N 0.52 2.85 0.48 4.92 2.02 -0.07 -4.98 117.35 123.08 1sfd s TYR 88 Ca -0.15 -2.16 -0.16 0.00 -0.37 0.00 0.00 57.07 54.24 1sfd s TYR 88 Cb -0.17 -1.96 -0.08 0.00 -0.40 0.00 0.00 41.96 39.35 1sfd s TYR 88 CO 0.05 -0.85 0.93 -0.51 -1.57 0.00 0.00 175.55 173.61 1sfd s ASP 89 N 1.24 6.64 0.20 2.29 1.11 -1.26 -0.95 116.67 125.93 1sfd s ASP 89 Ca -0.02 1.49 -0.10 0.00 0.18 0.00 0.00 52.55 54.10 1sfd s ASP 89 Cb -0.19 -2.47 -0.01 0.00 1.07 0.00 0.00 42.92 41.32 1sfd s ASP 89 CO -0.08 -0.52 0.35 -0.72 1.18 0.00 0.00 175.17 175.38 1sfd s TYR 90 N -2.52 0.46 0.32 4.23 1.13 -0.05 -4.59 117.35 116.34 1sfd s TYR 90 Ca 0.58 -0.80 -0.01 0.00 -1.41 0.00 0.00 57.07 55.42 1sfd s TYR 90 Cb -0.10 -0.01 -0.01 0.00 -1.10 0.00 0.00 41.96 40.75 1sfd s TYR 90 CO 0.29 -0.82 0.40 -3.38 -2.51 0.00 0.00 175.55 169.53 1sfd s HIS 91 N -4.01 1.16 -0.22 -3.49 -3.43 -0.28 -1.68 115.29 103.35 1sfd s HIS 91 Ca 0.22 -1.33 -0.16 0.00 -0.80 0.00 0.00 55.06 52.99 1sfd s HIS 91 Cb 0.02 -0.23 -0.04 0.00 -1.43 0.00 0.00 32.58 30.90 1sfd s HIS 91 CO 0.05 -1.03 0.39 0.00 -2.00 0.00 0.00 174.74 172.15 1sfd h THR 93 N 5.10 0.76 -0.07 0.00 2.02 -1.90 -1.57 112.91 117.25 1sfd h THR 93 Ca -0.35 -0.19 -0.13 0.00 0.77 0.00 0.00 66.41 66.51 1sfd h THR 93 Cb 1.16 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1sfd h THR 93 CO 0.70 0.10 -0.54 -0.26 0.37 0.00 0.00 175.52 175.90 1sfd h PHE 94 N 0.57 0.23 -2.36 3.16 -1.00 -1.93 -3.38 116.94 112.23 1sfd h PHE 94 Ca 0.41 -0.08 -0.59 0.00 2.81 0.00 0.00 57.97 60.52 1sfd h PHE 94 Cb 0.53 -0.04 -0.39 0.00 3.61 0.00 0.00 35.95 39.65 1sfd h PHE 94 CO -0.12 0.69 -0.91 0.72 -1.61 0.00 0.00 178.31 177.08 1sfd n HIS 95 N -3.92 0.32 0.32 -0.55 8.25 -0.65 -5.00 115.22 113.99 1sfd n HIS 95 Ca -0.02 -3.62 0.21 0.00 -0.26 0.00 0.00 57.72 54.03 1sfd n HIS 95 Cb 0.57 -0.12 1.04 0.00 1.12 0.00 0.00 29.99 32.60 1sfd n HIS 95 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1sfd h PRO 96 N 5.01 0.00 0.00 -0.41 0.11 -1.59 0.57 132.00 135.68 1sfd h PRO 96 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1sfd h PRO 96 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1sfd h PRO 96 CO 0.50 0.01 0.00 0.27 -0.21 0.00 0.00 178.00 178.56 1sfd h PHE 97 N 0.00 0.00 -3.41 0.65 -5.15 -1.95 -3.40 116.94 103.68 1sfd h PHE 97 Ca -0.00 0.00 -0.57 0.00 -0.20 0.00 0.00 57.97 57.20 1sfd h PHE 97 Cb 0.16 0.00 -0.07 0.00 0.22 0.00 0.00 35.95 36.26 1sfd h PHE 97 CO 0.00 0.00 0.86 -1.64 -2.00 0.00 0.00 178.31 175.53 1sfd s MET 98 N -3.90 3.98 0.09 6.09 -1.94 0.19 -5.02 119.30 118.78 1sfd s MET 98 Ca -0.02 0.94 0.03 0.00 -1.71 0.00 0.00 55.69 54.93 1sfd s MET 98 Cb 0.11 -3.78 -0.03 0.00 2.01 0.00 0.00 34.83 33.14 1sfd s MET 98 CO 0.44 -1.02 -0.10 1.03 -0.01 0.00 0.00 175.02 175.36 1sfd s ARG 99 N 3.84 0.79 0.33 2.03 0.52 -1.26 -2.00 118.95 123.20 1sfd s ARG 99 Ca 0.46 -1.09 -0.08 0.00 -0.52 0.00 0.00 55.73 54.49 1sfd s ARG 99 Cb -0.11 -0.49 0.01 0.00 0.52 0.00 0.00 34.95 34.88 1sfd s ARG 99 CO 0.19 0.08 0.55 0.20 0.02 0.00 0.00 175.30 176.34 1sfd s GLY 100 N -2.30 1.00 0.02 -3.53 0.00 -0.68 -4.67 107.32 97.16 1sfd s GLY 100 Ca 0.03 -1.19 -0.12 0.00 0.00 0.00 0.00 44.72 43.44 1sfd s GLY 100 CO -0.00 -0.75 0.26 -1.59 0.00 0.00 0.00 173.10 171.02 1sfd s LYS 101 N -3.10 0.70 -0.23 2.90 -2.85 0.29 -0.87 119.74 116.58 1sfd s LYS 101 Ca 0.25 -0.44 -0.02 0.00 -1.00 0.00 0.00 55.97 54.76 1sfd s LYS 101 Cb -0.02 0.30 0.01 0.00 -2.06 0.00 0.00 37.83 36.06 1sfd s LYS 101 CO 0.16 -0.20 -0.08 0.08 0.10 0.00 0.00 175.35 175.41 1sfd s VAL 102 N -2.05 2.95 -0.42 1.79 1.01 -0.12 -1.93 120.40 121.62 1sfd s VAL 102 Ca -0.09 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 60.95 1sfd s VAL 102 Cb -0.03 -2.39 0.03 0.00 0.00 0.00 0.00 36.38 33.98 1sfd s VAL 102 CO -0.01 0.35 0.35 -0.69 0.00 0.00 0.00 175.10 175.10 1sfd s VAL 103 N 1.39 5.21 -0.42 2.92 1.01 0.67 -0.89 120.40 130.29 1sfd s VAL 103 Ca 0.03 -0.63 -0.15 0.00 0.00 0.00 0.00 61.98 61.24 1sfd s VAL 103 Cb -0.15 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 32.28 1sfd s VAL 103 CO -0.05 -0.37 0.33 -0.69 0.00 0.00 0.00 175.10 174.31 1sfd s VAL 104 N 1.80 5.24 -2.30 2.92 1.01 0.34 -1.06 120.40 128.35 1sfd s VAL 104 Ca 0.07 -0.72 0.30 0.00 0.00 0.00 0.00 61.98 61.63 1sfd s VAL 104 Cb -0.19 -3.98 0.70 0.00 0.00 0.00 0.00 36.38 32.91 1sfd s VAL 104 CO 0.11 -0.37 1.94 -0.62 0.00 0.00 0.00 175.10 176.16