#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1um1 n SER 2 N 0.00 0.00 -1.62 1.61 2.88 -1.26 -4.83 113.62 110.39 1um1 n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1um1 n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1um1 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1um1 n SER 3 N 2.81 -8.75 -4.24 -3.46 2.88 -1.26 -5.06 113.62 96.55 1um1 n SER 3 Ca 0.00 1.26 -0.13 0.00 -1.33 0.00 0.00 58.87 58.67 1um1 n SER 3 Cb 0.00 -4.87 -0.10 0.00 -0.75 0.00 0.00 64.21 58.49 1um1 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1um1 s GLY 4 N -3.32 1.33 -0.19 0.46 0.00 -1.26 -5.17 107.32 99.17 1um1 s GLY 4 Ca 0.00 -1.65 -0.32 0.00 0.00 0.00 0.00 44.72 42.75 1um1 s GLY 4 CO 0.00 -1.50 1.16 -0.45 0.00 0.00 0.00 173.10 172.31 1um1 s SER 5 N -3.18 -0.20 -0.09 1.64 0.15 -1.26 -5.15 113.70 105.62 1um1 s SER 5 Ca 0.29 0.12 -0.20 0.00 0.70 0.00 0.00 55.95 56.87 1um1 s SER 5 Cb 0.07 0.18 -0.04 0.00 -1.71 0.00 0.00 66.02 64.52 1um1 s SER 5 CO 0.07 -0.25 0.55 -0.55 1.20 0.00 0.00 173.24 174.26 1um1 s SER 6 N -1.61 6.80 0.19 5.45 0.15 -1.26 -5.07 113.70 118.36 1um1 s SER 6 Ca 0.06 0.96 -0.01 0.00 0.70 0.00 0.00 55.95 57.65 1um1 s SER 6 Cb -0.01 -2.33 -0.04 0.00 -1.71 0.00 0.00 66.02 61.93 1um1 s SER 6 CO -0.04 -0.00 0.39 -0.83 1.20 0.00 0.00 173.24 173.95 1um1 s GLY 7 N 0.50 1.87 0.03 9.45 0.00 -1.26 -5.11 107.32 112.79 1um1 s GLY 7 Ca 0.29 -0.79 0.05 0.00 0.00 0.00 0.00 44.72 44.27 1um1 s GLY 7 CO 0.13 -0.74 -0.14 -2.52 0.00 0.00 0.00 173.10 169.84 1um1 s TYR 8 N -1.83 1.23 0.30 1.90 1.13 -1.26 -5.00 117.35 113.81 1um1 s TYR 8 Ca 0.39 -0.32 -0.04 0.00 -1.41 0.00 0.00 57.07 55.69 1um1 s TYR 8 Cb -0.11 -0.75 -0.05 0.00 -1.10 0.00 0.00 41.96 39.96 1um1 s TYR 8 CO 0.28 0.02 0.55 0.08 -2.51 0.00 0.00 175.55 173.97 1um1 s VAL 9 N -0.72 5.05 -0.14 -3.49 1.01 -1.26 -2.71 120.40 118.14 1um1 s VAL 9 Ca 0.02 -0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.83 1um1 s VAL 9 Cb -0.07 -3.76 0.04 0.00 0.00 0.00 0.00 36.38 32.59 1um1 s VAL 9 CO 0.01 -0.37 0.35 0.72 0.00 0.00 0.00 175.10 175.81 1um1 s PHE 10 N -2.13 -0.41 0.43 5.22 -0.71 -0.19 -4.98 117.98 115.21 1um1 s PHE 10 Ca 0.43 0.98 -0.10 0.00 -1.04 0.00 0.00 56.93 57.20 1um1 s PHE 10 Cb -0.11 0.14 -0.06 0.00 -1.21 0.00 0.00 43.02 41.79 1um1 s PHE 10 CO 0.31 -0.21 0.80 0.99 -1.34 0.00 0.00 175.22 175.77 1um1 s THR 11 N 0.44 4.78 -0.17 -4.49 2.01 -1.26 -1.55 115.64 115.40 1um1 s THR 11 Ca -0.02 0.61 -0.02 0.00 0.31 0.00 0.00 61.69 62.57 1um1 s THR 11 Cb -0.04 -3.75 0.05 0.00 0.01 0.00 0.00 72.50 68.77 1um1 s THR 11 CO -0.02 -0.60 0.02 -0.69 -0.69 0.00 0.00 174.62 172.64 1um1 s VAL 12 N -2.47 0.60 -0.30 3.82 1.01 0.10 -4.92 120.40 118.24 1um1 s VAL 12 Ca 0.51 -0.47 -0.10 0.00 0.00 0.00 0.00 61.98 61.92 1um1 s VAL 12 Cb -0.10 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 1um1 s VAL 12 CO 0.34 -0.08 0.16 -1.61 0.00 0.00 0.00 175.10 173.91 1um1 s GLU 13 N 1.84 3.54 0.41 2.72 2.02 -1.26 -1.07 118.70 126.91 1um1 s GLU 13 Ca 0.00 -0.58 0.04 0.00 0.02 0.00 0.00 54.97 54.44 1um1 s GLU 13 Cb -0.16 -3.59 -0.03 0.00 0.10 0.00 0.00 34.13 30.45 1um1 s GLU 13 CO -0.07 -0.34 0.11 -0.51 0.02 0.00 0.00 175.26 174.47 1um1 s LEU 14 N 1.66 2.03 -0.28 1.80 1.43 0.11 -4.97 118.68 120.47 1um1 s LEU 14 Ca 0.06 -1.66 -0.01 0.00 -1.03 0.00 0.00 54.13 51.49 1um1 s LEU 14 Cb -0.17 -0.18 0.04 0.00 0.03 0.00 0.00 46.19 45.92 1um1 s LEU 14 CO 0.08 -0.91 -0.03 -0.70 0.23 0.00 0.00 176.35 175.02 1um1 s GLU 15 N -3.73 2.53 -0.47 1.70 2.12 -1.26 0.08 118.70 119.67 1um1 s GLU 15 Ca 0.23 -1.19 -0.42 0.00 0.36 0.00 0.00 54.97 53.95 1um1 s GLU 15 Cb 0.03 -3.10 -0.18 0.00 0.26 0.00 0.00 34.13 31.13 1um1 s GLU 15 CO 0.14 -0.55 1.80 -2.13 -0.54 0.00 0.00 175.26 173.97 1um1 n ARG 16 N 4.62 0.00 -0.28 4.30 0.63 -0.84 -4.72 116.66 120.38 1um1 n ARG 16 Ca -0.14 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.73 1um1 n ARG 16 Cb 0.44 -1.40 0.05 0.00 0.45 0.00 0.00 32.46 32.00 1um1 n ARG 16 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1um1 n GLY 17 N 5.69 -1.98 0.16 5.14 0.00 -1.26 -4.73 105.19 108.21 1um1 n GLY 17 Ca 0.42 -1.55 0.13 0.00 0.00 0.00 0.00 46.02 45.03 1um1 n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1um1 h PRO 18 N 0.00 0.00 0.00 1.61 0.13 -1.90 -2.99 132.00 128.85 1um1 h PRO 18 Ca -0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 1um1 h PRO 18 Cb 0.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.35 1um1 h PRO 18 CO 0.06 0.00 -0.45 0.43 -0.23 0.00 0.00 178.00 177.81 1um1 n SER 19 N -2.55 1.75 -1.68 1.44 7.64 -1.26 -4.94 113.62 114.03 1um1 n SER 19 Ca 0.03 -3.63 -0.08 0.00 1.01 0.00 0.00 58.87 56.20 1um1 n SER 19 Cb 0.36 -0.50 0.03 0.00 -1.01 0.00 0.00 64.21 63.09 1um1 n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1um1 n GLY 20 N -1.06 0.35 5.25 0.23 0.00 -1.13 -4.15 105.19 104.68 1um1 n GLY 20 Ca 0.17 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1um1 n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1um1 n LEU 21 N -2.10 0.00 0.00 0.99 4.77 -1.26 -4.38 117.00 115.02 1um1 n LEU 21 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1um1 n LEU 21 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1um1 n LEU 21 CO 0.23 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1um1 n GLY 22 N 0.00 0.19 2.87 -0.72 0.00 -1.26 -3.72 105.19 102.55 1um1 n GLY 22 Ca 0.00 -0.43 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 1um1 n GLY 22 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1um1 s MET 23 N 0.00 0.58 -1.01 1.61 1.00 -1.26 -1.66 119.30 118.56 1um1 s MET 23 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 55.69 55.53 1um1 s MET 23 Cb 0.00 -0.65 0.23 0.00 0.00 0.00 0.00 34.83 34.41 1um1 s MET 23 CO 0.00 -0.09 1.03 0.20 0.00 0.00 0.00 175.02 176.17 1um1 s GLY 24 N 0.87 2.81 0.13 -0.03 0.00 -0.85 -4.96 107.32 105.28 1um1 s GLY 24 Ca -0.10 -3.50 -0.26 0.00 0.00 0.00 0.00 44.72 40.86 1um1 s GLY 24 CO -0.01 1.46 0.80 1.08 0.00 0.00 0.00 173.10 176.43 1um1 s LEU 25 N -0.03 4.55 -0.01 0.66 2.01 -1.26 0.17 118.68 124.77 1um1 s LEU 25 Ca 0.28 1.61 -0.05 0.00 0.01 0.00 0.00 54.13 55.98 1um1 s LEU 25 Cb -0.09 -3.31 0.00 0.00 0.01 0.00 0.00 46.19 42.80 1um1 s LEU 25 CO -0.08 0.13 0.11 -0.51 1.01 0.00 0.00 176.35 177.01 1um1 s ILE 26 N -0.72 0.07 0.62 -0.59 2.07 -0.12 -4.88 121.20 117.64 1um1 s ILE 26 Ca 0.38 -0.56 -0.14 0.00 -1.41 0.00 0.00 60.65 58.92 1um1 s ILE 26 Cb -0.22 -0.35 -0.02 0.00 0.13 0.00 0.00 42.46 41.99 1um1 s ILE 26 CO 0.26 -0.31 1.05 1.51 -1.91 0.00 0.00 174.94 175.54 1um1 s ASP 27 N -1.05 5.76 -0.05 4.50 1.47 -1.26 -2.07 116.67 123.98 1um1 s ASP 27 Ca -0.11 1.69 -0.01 0.00 1.18 0.00 0.00 52.55 55.30 1um1 s ASP 27 Cb -0.06 -2.51 0.01 0.00 -0.34 0.00 0.00 42.92 40.02 1um1 s ASP 27 CO 0.01 -1.18 2.13 0.61 0.68 0.00 0.00 175.17 177.42 1um1 n GLY 28 N -1.54 2.80 0.30 2.12 0.00 -0.91 -3.85 105.19 104.10 1um1 n GLY 28 Ca 0.08 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 1um1 n GLY 28 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1um1 n MET 29 N 1.40 0.47 0.10 1.61 2.81 -1.23 0.26 117.12 122.53 1um1 n MET 29 Ca 0.08 0.20 -0.03 0.00 -1.81 0.00 0.00 57.70 56.15 1um1 n MET 29 Cb 0.54 -1.29 -0.04 0.00 -0.71 0.00 0.00 33.22 31.72 1um1 n MET 29 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 1um1 h HIS 30 N -0.81 0.00 -4.25 2.03 2.07 -1.94 -3.41 115.15 108.84 1um1 h HIS 30 Ca -0.50 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 56.54 1um1 h HIS 30 Cb 1.41 0.00 0.04 0.00 2.57 0.00 0.00 27.41 31.42 1um1 h HIS 30 CO -0.11 0.79 0.39 0.95 -3.07 0.00 0.00 177.93 176.87 1um1 s THR 31 N -2.86 4.48 0.63 6.12 -4.23 -1.26 -4.89 115.64 113.63 1um1 s THR 31 Ca 0.02 1.06 0.25 0.00 -1.18 0.00 0.00 61.69 61.84 1um1 s THR 31 Cb 0.09 -3.71 0.30 0.00 1.34 0.00 0.00 72.50 70.52 1um1 s THR 31 CO 0.79 -0.81 1.71 0.45 -0.54 0.00 0.00 174.62 176.21 1um1 h HIS 32 N 0.43 0.00 -0.91 3.99 3.86 -1.23 -1.65 115.15 119.63 1um1 h HIS 32 Ca -0.46 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 58.88 1um1 h HIS 32 Cb 1.19 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.52 1um1 h HIS 32 CO 0.64 0.00 -0.40 -0.11 0.86 0.00 0.00 177.93 178.92 1um1 n LEU 33 N -3.19 -0.69 -0.97 2.43 7.94 -1.25 -4.77 117.00 116.51 1um1 n LEU 33 Ca 0.05 1.60 -0.11 0.00 -1.11 0.00 0.00 56.01 56.45 1um1 n LEU 33 Cb 0.72 -0.33 -0.03 0.00 0.53 0.00 0.00 43.42 44.31 1um1 n LEU 33 CO 0.18 -1.41 -0.12 0.61 -1.11 0.00 0.00 177.39 175.55 1um1 n GLY 34 N -1.38 0.73 2.95 -3.96 0.00 -0.29 -5.00 105.19 98.23 1um1 n GLY 34 Ca 0.07 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 1um1 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1um1 s ALA 35 N -2.45 0.25 0.24 4.61 0.00 0.73 -4.93 121.76 120.21 1um1 s ALA 35 Ca 0.00 -0.30 -0.30 0.00 0.00 0.00 0.00 51.96 51.36 1um1 s ALA 35 Cb 0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 23.12 23.03 1um1 s ALA 35 CO 0.00 0.00 1.09 -1.25 0.00 0.00 0.00 175.76 175.61 1um1 s PRO 36 N -0.55 4.63 0.00 0.00 0.04 -1.26 -2.14 135.00 135.73 1um1 s PRO 36 Ca -0.04 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1um1 s PRO 36 Cb -0.04 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1um1 s PRO 36 CO -0.00 0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.62 1um1 n GLY 37 N 1.55 -0.44 3.07 0.56 0.00 -1.26 -4.81 105.19 103.85 1um1 n GLY 37 Ca 0.00 -1.05 -0.18 0.00 0.00 0.00 0.00 46.02 44.79 1um1 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1um1 s LEU 38 N 0.00 2.11 -0.15 0.99 2.01 -1.26 -3.72 118.68 118.66 1um1 s LEU 38 Ca 0.00 -0.33 -0.28 0.00 0.01 0.00 0.00 54.13 53.53 1um1 s LEU 38 Cb 0.00 -0.46 0.07 0.00 0.01 0.00 0.00 46.19 45.81 1um1 s LEU 38 CO 0.00 0.03 0.72 -0.31 1.01 0.00 0.00 176.35 177.80 1um1 s TYR 39 N -0.62 -0.69 0.23 0.29 1.51 -0.88 -3.05 117.35 114.15 1um1 s TYR 39 Ca 0.01 1.41 -0.30 0.00 -1.01 0.00 0.00 57.07 57.18 1um1 s TYR 39 Cb -0.06 0.36 -0.09 0.00 -0.11 0.00 0.00 41.96 42.05 1um1 s TYR 39 CO 0.00 -0.50 1.34 0.42 -1.11 0.00 0.00 175.55 175.70 1um1 s ILE 40 N -0.55 3.00 -0.11 2.71 1.01 -0.97 -0.95 121.20 125.34 1um1 s ILE 40 Ca -0.06 0.86 0.07 0.00 0.00 0.00 0.00 60.65 61.52 1um1 s ILE 40 Cb -0.02 -3.55 -0.12 0.00 0.01 0.00 0.00 42.46 38.78 1um1 s ILE 40 CO 0.06 0.14 -0.00 1.67 0.00 0.00 0.00 174.94 176.81 1um1 n GLN 41 N 2.24 1.77 -3.68 2.79 7.27 0.45 -0.74 117.38 127.47 1um1 n GLN 41 Ca 0.05 0.02 -0.14 0.00 0.07 0.00 0.00 57.00 57.00 1um1 n GLN 41 Cb 0.42 -1.27 -0.07 0.00 2.41 0.00 0.00 30.24 31.73 1um1 n GLN 41 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1um1 s THR 42 N -2.26 0.05 -0.48 1.69 -4.23 -1.15 -4.86 115.64 104.40 1um1 s THR 42 Ca -0.09 -0.41 0.04 0.00 -1.18 0.00 0.00 61.69 60.05 1um1 s THR 42 Cb 0.04 -0.83 0.13 0.00 1.34 0.00 0.00 72.50 73.17 1um1 s THR 42 CO 0.40 -0.23 0.22 -0.76 -0.54 0.00 0.00 174.62 173.72 1um1 s LEU 43 N -1.63 4.18 0.50 4.79 2.01 -1.26 -2.02 118.68 125.25 1um1 s LEU 43 Ca -0.09 -2.83 -0.18 0.00 0.01 0.00 0.00 54.13 51.04 1um1 s LEU 43 Cb -0.02 -1.56 -0.15 0.00 0.01 0.00 0.00 46.19 44.46 1um1 s LEU 43 CO 0.02 -0.26 -0.11 -0.11 1.01 0.00 0.00 176.35 176.90 1um1 n LEU 44 N 3.35 -3.58 0.07 1.79 0.00 -0.66 -4.81 117.00 113.17 1um1 n LEU 44 Ca 0.05 0.67 -0.04 0.00 0.00 0.00 0.00 56.01 56.69 1um1 n LEU 44 Cb 0.34 -0.85 -0.02 0.00 0.00 0.00 0.00 43.42 42.89 1um1 n LEU 44 CO 0.31 -4.74 0.13 1.55 0.00 0.00 0.00 177.39 174.64 1um1 h PRO 45 N 0.01 -0.25 -2.20 1.96 0.13 -1.96 -3.34 132.00 126.35 1um1 h PRO 45 Ca -0.41 0.02 -0.35 0.00 -0.87 0.00 0.00 66.00 64.38 1um1 h PRO 45 Cb 1.45 0.06 -0.07 0.00 0.13 0.00 0.00 31.00 32.56 1um1 h PRO 45 CO 0.42 -0.17 0.62 0.41 -0.23 0.00 0.00 178.00 179.05 1um1 n GLY 46 N 1.00 3.56 3.27 1.56 0.00 -1.26 -4.64 105.19 108.68 1um1 n GLY 46 Ca -0.03 -1.42 -0.17 0.00 0.00 0.00 0.00 46.02 44.40 1um1 n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1um1 s SER 47 N 1.66 2.07 0.16 1.61 1.04 -1.25 -4.96 113.70 114.02 1um1 s SER 47 Ca 0.65 -0.95 -0.01 0.00 0.48 0.00 0.00 55.95 56.12 1um1 s SER 47 Cb 0.30 -0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.35 1um1 s SER 47 CO -0.05 -0.23 1.38 1.55 0.98 0.00 0.00 173.24 176.87 1um1 h PRO 48 N 2.96 0.34 0.25 4.02 0.13 -1.87 -2.18 132.00 135.66 1um1 h PRO 48 Ca -0.38 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.42 1um1 h PRO 48 Cb 1.20 0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1um1 h PRO 48 CO 0.59 1.01 -0.27 0.00 -0.23 0.00 0.00 178.00 179.10 1um1 h ALA 49 N 0.89 -0.55 -0.06 -0.56 0.00 -1.87 -0.86 119.26 116.26 1um1 h ALA 49 Ca -0.05 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1um1 h ALA 49 Cb 1.45 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 1um1 h ALA 49 CO 0.14 -0.84 0.04 0.00 0.00 0.00 0.00 179.25 178.58 1um1 h ALA 50 N 0.08 0.07 -1.10 0.00 0.00 -1.74 -1.85 119.26 114.72 1um1 h ALA 50 Ca -0.00 -0.03 0.35 0.00 0.00 0.00 0.00 54.91 55.23 1um1 h ALA 50 Cb 0.52 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.15 1um1 h ALA 50 CO -0.07 -0.41 0.67 0.00 0.00 0.00 0.00 179.25 179.44 1um1 h ALA 51 N 0.97 2.24 -0.56 0.00 0.00 -1.06 0.62 119.26 121.48 1um1 h ALA 51 Ca 0.02 0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.19 1um1 h ALA 51 Cb 0.04 0.16 -0.11 0.00 0.00 0.00 0.00 17.79 17.88 1um1 h ALA 51 CO -0.00 -0.84 -0.22 0.22 0.00 0.00 0.00 179.25 178.41 1um1 h ASP 52 N 0.25 -0.78 0.00 0.00 3.58 -0.27 -3.45 116.42 115.74 1um1 h ASP 52 Ca 0.75 0.19 0.00 0.00 0.42 0.00 0.00 57.03 58.39 1um1 h ASP 52 Cb 1.95 0.44 0.00 0.00 1.72 0.00 0.00 39.33 43.44 1um1 h ASP 52 CO -0.51 -0.25 0.00 0.61 -2.88 0.00 0.00 179.24 176.21 1um1 n GLY 53 N -1.42 2.75 0.23 -0.78 0.00 0.22 -4.78 105.19 101.40 1um1 n GLY 53 Ca 0.05 -0.70 -0.08 0.00 0.00 0.00 0.00 46.02 45.29 1um1 n GLY 53 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1um1 h ARG 54 N 0.00 0.75 -5.66 1.61 1.12 -1.86 -3.40 114.38 106.94 1um1 h ARG 54 Ca 0.00 -0.11 -0.52 0.00 -1.11 0.00 0.00 59.98 58.24 1um1 h ARG 54 Cb 0.00 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 29.81 1um1 h ARG 54 CO 0.00 0.62 1.60 1.28 -3.11 0.00 0.00 179.97 180.35 1um1 n LEU 55 N -4.59 2.22 -4.95 3.80 4.77 -1.26 -4.92 117.00 112.06 1um1 n LEU 55 Ca 0.02 -0.15 -0.19 0.00 -0.03 0.00 0.00 56.01 55.66 1um1 n LEU 55 Cb 0.11 -1.45 -0.01 0.00 -2.33 0.00 0.00 43.42 39.74 1um1 n LEU 55 CO 0.37 -1.18 0.02 -0.94 -1.33 0.00 0.00 177.39 174.34 1um1 s SER 56 N 10.37 5.76 -0.10 -1.43 1.04 -1.26 -4.86 113.70 123.22 1um1 s SER 56 Ca 1.05 -0.29 -0.30 0.00 0.48 0.00 0.00 55.95 56.90 1um1 s SER 56 Cb -0.44 -1.13 -0.01 0.00 0.10 0.00 0.00 66.02 64.53 1um1 s SER 56 CO 0.34 -0.42 1.03 -0.76 0.98 0.00 0.00 173.24 174.41 1um1 s LEU 57 N -4.13 4.25 0.00 2.42 1.43 -1.26 -2.94 118.68 118.44 1um1 s LEU 57 Ca 0.44 1.56 0.00 0.00 -1.03 0.00 0.00 54.13 55.11 1um1 s LEU 57 Cb -0.08 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.58 1um1 s LEU 57 CO 0.30 -0.47 0.00 0.61 0.23 0.00 0.00 176.35 177.02 1um1 n GLY 58 N 3.14 1.27 3.09 -3.19 0.00 0.08 -4.60 105.19 104.98 1um1 n GLY 58 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1um1 n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1um1 n ASP 59 N 0.00 -2.68 -3.80 1.61 8.00 -1.15 -4.49 116.55 114.04 1um1 n ASP 59 Ca 0.00 -0.12 -0.25 0.00 0.71 0.00 0.00 54.79 55.12 1um1 n ASP 59 Cb 0.00 -0.72 -0.17 0.00 -0.02 0.00 0.00 41.12 40.20 1um1 n ASP 59 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1um1 s ARG 60 N -2.83 0.89 0.21 -1.24 3.52 -1.26 -2.29 118.95 115.95 1um1 s ARG 60 Ca 0.41 -0.16 -0.30 0.00 -0.13 0.00 0.00 55.73 55.56 1um1 s ARG 60 Cb -0.02 -1.47 -0.08 0.00 -1.56 0.00 0.00 34.95 31.82 1um1 s ARG 60 CO 0.56 -0.39 1.11 0.42 -0.81 0.00 0.00 175.30 176.18 1um1 s ILE 61 N 1.86 3.74 -0.08 4.11 -1.09 -1.17 -2.34 121.20 126.22 1um1 s ILE 61 Ca 0.03 1.56 0.04 0.00 -2.23 0.00 0.00 60.65 60.05 1um1 s ILE 61 Cb -0.14 -4.00 -0.08 0.00 -1.58 0.00 0.00 42.46 36.67 1um1 s ILE 61 CO -0.07 0.30 -0.03 0.18 -1.23 0.00 0.00 174.94 174.09 1um1 n LEU 62 N 2.06 1.47 -3.92 2.97 4.77 0.46 -4.67 117.00 120.14 1um1 n LEU 62 Ca 0.02 -0.02 -0.08 0.00 -0.03 0.00 0.00 56.01 55.89 1um1 n LEU 62 Cb 0.46 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 1um1 n LEU 62 CO 0.54 0.42 -0.16 -1.61 -1.33 0.00 0.00 177.39 175.25 1um1 s GLU 63 N -2.18 0.81 -0.20 3.23 2.02 -1.22 -0.99 118.70 120.17 1um1 s GLU 63 Ca -0.08 -1.04 -0.04 0.00 0.02 0.00 0.00 54.97 53.82 1um1 s GLU 63 Cb 0.03 0.31 0.08 0.00 0.10 0.00 0.00 34.13 34.65 1um1 s GLU 63 CO 0.26 -0.24 0.16 0.08 0.02 0.00 0.00 175.26 175.54 1um1 s VAL 64 N -3.89 -0.20 0.00 2.63 1.01 -1.18 -1.22 120.40 117.55 1um1 s VAL 64 Ca 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1um1 s VAL 64 Cb 0.06 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.75 1um1 s VAL 64 CO -0.10 -0.32 0.00 -3.20 0.00 0.00 0.00 175.10 171.49 1um1 n ASN 65 N 5.29 0.00 0.00 3.32 2.85 0.34 -2.65 115.26 124.41 1um1 n ASN 65 Ca -0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 1um1 n ASN 65 Cb 0.48 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.50 1um1 n ASN 65 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1um1 n GLY 66 N 0.00 0.00 2.77 8.20 0.00 -1.26 -4.77 105.19 110.12 1um1 n GLY 66 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1um1 n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1um1 s SER 67 N 0.00 2.91 -0.03 1.61 0.15 -1.09 -5.10 113.70 112.16 1um1 s SER 67 Ca 0.00 -0.80 -0.33 0.00 0.70 0.00 0.00 55.95 55.52 1um1 s SER 67 Cb 0.00 -0.66 -0.11 0.00 -1.71 0.00 0.00 66.02 63.54 1um1 s SER 67 CO 0.00 -0.28 1.88 -1.54 1.20 0.00 0.00 173.24 174.49 1um1 n SER 68 N 5.01 3.63 -2.72 5.45 3.41 -1.26 -3.11 113.62 124.02 1um1 n SER 68 Ca -0.09 0.97 -0.37 0.00 -0.26 0.00 0.00 58.87 59.12 1um1 n SER 68 Cb 0.47 -1.42 0.03 0.00 -0.26 0.00 0.00 64.21 63.03 1um1 n SER 68 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1um1 n LEU 69 N 6.52 7.39 -4.03 1.04 -0.00 -0.16 -4.63 117.00 123.12 1um1 n LEU 69 Ca 0.21 -4.58 -0.43 0.00 -0.00 0.00 0.00 56.01 51.21 1um1 n LEU 69 Cb 0.32 -1.08 0.00 0.00 -0.00 0.00 0.00 43.42 42.67 1um1 n LEU 69 CO 0.71 1.69 1.04 0.18 -0.00 0.00 0.00 177.39 181.00 1um1 n LEU 70 N -0.39 6.18 0.00 -1.96 4.77 -1.26 -4.31 117.00 120.03 1um1 n LEU 70 Ca 0.54 -5.20 0.00 0.00 -0.03 0.00 0.00 56.01 51.32 1um1 n LEU 70 Cb 0.36 -1.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.17 1um1 n LEU 70 CO 0.53 1.66 0.00 0.61 -1.33 0.00 0.00 177.39 178.86 1um1 n GLY 71 N 1.51 2.12 3.65 -0.72 0.00 -1.26 -5.07 105.19 105.43 1um1 n GLY 71 Ca 0.26 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.80 1um1 n GLY 71 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1um1 n LEU 72 N 0.00 3.36 -4.58 0.99 4.77 -1.26 -4.84 117.00 115.44 1um1 n LEU 72 Ca 0.00 0.84 -0.46 0.00 -0.03 0.00 0.00 56.01 56.36 1um1 n LEU 72 Cb 0.00 -1.39 -0.03 0.00 -2.33 0.00 0.00 43.42 39.68 1um1 n LEU 72 CO 0.00 -0.15 0.62 0.61 -1.33 0.00 0.00 177.39 177.13 1um1 n GLY 73 N 4.75 -0.17 0.33 -0.72 0.00 -1.26 -4.48 105.19 103.65 1um1 n GLY 73 Ca 0.25 0.41 0.03 0.00 0.00 0.00 0.00 46.02 46.71 1um1 n GLY 73 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1um1 n TYR 74 N 0.75 0.22 -0.10 1.61 4.19 -1.26 0.15 117.16 122.73 1um1 n TYR 74 Ca 0.12 1.10 -0.06 0.00 3.31 0.00 0.00 57.90 62.37 1um1 n TYR 74 Cb 0.29 -0.96 0.01 0.00 0.49 0.00 0.00 39.34 39.17 1um1 n TYR 74 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 1um1 h LEU 75 N 0.00 -0.23 -0.18 2.98 3.38 -1.99 0.57 115.31 119.86 1um1 h LEU 75 Ca 0.39 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.50 1um1 h LEU 75 Cb 0.61 0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 1um1 h LEU 75 CO -0.91 -0.07 -0.16 0.03 0.09 0.00 0.00 178.44 177.42 1um1 h ARG 76 N 0.05 -0.16 -0.14 1.13 2.47 0.12 -0.56 114.38 117.28 1um1 h ARG 76 Ca 0.17 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.92 1um1 h ARG 76 Cb 0.25 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.59 1um1 h ARG 76 CO -0.32 -0.11 0.04 0.00 0.56 0.00 0.00 179.97 180.14 1um1 h ALA 77 N 0.93 0.14 -0.94 0.04 0.00 -0.09 -1.48 119.26 117.86 1um1 h ALA 77 Ca 0.11 0.02 0.25 0.00 0.00 0.00 0.00 54.91 55.28 1um1 h ALA 77 Cb 0.33 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.01 1um1 h ALA 77 CO -0.28 -0.41 0.45 0.28 0.00 0.00 0.00 179.25 179.30 1um1 h VAL 78 N 0.10 0.44 0.43 0.00 2.07 0.86 0.14 116.25 120.30 1um1 h VAL 78 Ca 0.06 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1um1 h VAL 78 Cb 0.04 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 1um1 h VAL 78 CO -0.07 0.07 -0.31 -0.78 0.02 0.00 0.00 177.57 176.51 1um1 h ASP 79 N 0.41 -0.79 -0.46 0.57 3.58 -0.07 0.85 116.42 120.50 1um1 h ASP 79 Ca 0.61 0.05 0.04 0.00 0.42 0.00 0.00 57.03 58.15 1um1 h ASP 79 Cb 1.21 0.24 -0.06 0.00 1.72 0.00 0.00 39.33 42.45 1um1 h ASP 79 CO -0.54 -0.47 -0.27 0.18 -2.88 0.00 0.00 179.24 175.26 1um1 n LEU 80 N -5.43 -0.49 0.16 2.28 7.99 0.47 0.23 117.00 122.21 1um1 n LEU 80 Ca -0.11 1.31 -0.14 0.00 -0.01 0.00 0.00 56.01 57.06 1um1 n LEU 80 Cb 0.33 -0.35 -0.07 0.00 -0.11 0.00 0.00 43.42 43.22 1um1 n LEU 80 CO 0.32 -0.91 0.75 0.40 -1.51 0.00 0.00 177.39 176.44 1um1 h ILE 81 N 0.00 0.63 -0.65 -0.08 5.03 -1.32 0.16 117.51 121.27 1um1 h ILE 81 Ca 0.07 0.00 0.10 0.00 -0.12 0.00 0.00 64.86 64.91 1um1 h ILE 81 Cb 0.19 0.63 -0.11 0.00 -3.03 0.00 0.00 36.82 34.49 1um1 h ILE 81 CO -0.43 0.00 -0.42 -0.09 -0.68 0.00 0.00 178.15 176.53 1um1 h ARG 82 N -0.41 -0.17 -1.15 2.37 2.43 0.30 0.65 114.38 118.40 1um1 h ARG 82 Ca -0.01 0.01 -0.47 0.00 -0.81 0.00 0.00 59.98 58.70 1um1 h ARG 82 Cb 0.36 0.04 -0.23 0.00 -0.42 0.00 0.00 29.97 29.72 1um1 h ARG 82 CO -0.00 -0.11 0.60 0.72 -1.51 0.00 0.00 179.97 179.66 1um1 n HIS 83 N -5.41 2.41 0.00 2.20 8.25 0.63 -4.92 115.22 118.38 1um1 n HIS 83 Ca 0.03 -2.15 0.00 0.00 -0.26 0.00 0.00 57.72 55.34 1um1 n HIS 83 Cb 0.35 -1.05 0.00 0.00 1.12 0.00 0.00 29.99 30.41 1um1 n HIS 83 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1um1 n GLY 84 N -0.50 -3.36 3.75 -1.41 0.00 0.23 -4.90 105.19 98.99 1um1 n GLY 84 Ca 0.47 -0.88 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 1um1 n GLY 84 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1um1 s GLY 85 N 0.00 0.12 0.41 -0.02 0.00 -1.26 -5.01 107.32 101.56 1um1 s GLY 85 Ca 0.00 -0.49 0.27 0.00 0.00 0.00 0.00 44.72 44.50 1um1 s GLY 85 CO 0.00 -0.28 1.61 0.50 0.00 0.00 0.00 173.10 174.93 1um1 h LYS 86 N 2.09 0.07 -4.65 2.90 1.57 -1.94 -3.21 116.57 113.40 1um1 h LYS 86 Ca -0.22 -0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 57.86 1um1 h LYS 86 Cb 1.25 -0.02 -0.29 0.00 0.08 0.00 0.00 32.23 33.26 1um1 h LYS 86 CO 0.28 0.05 -0.59 0.15 -0.57 0.00 0.00 179.45 178.76 1um1 s LYS 87 N -5.39 2.61 -0.28 3.15 1.02 -1.26 -1.99 119.74 117.60 1um1 s LYS 87 Ca -0.08 -1.21 -0.11 0.00 0.02 0.00 0.00 55.97 54.59 1um1 s LYS 87 Cb 0.31 -3.49 -0.04 0.00 -0.52 0.00 0.00 37.83 34.09 1um1 s LYS 87 CO 0.81 -0.70 0.18 -1.64 -0.92 0.00 0.00 175.35 173.08 1um1 s MET 88 N 1.40 3.86 -0.03 1.68 -1.94 0.11 -4.91 119.30 119.47 1um1 s MET 88 Ca -0.01 -0.38 0.03 0.00 -1.71 0.00 0.00 55.69 53.62 1um1 s MET 88 Cb -0.20 -3.62 -0.03 0.00 2.01 0.00 0.00 34.83 32.99 1um1 s MET 88 CO 0.03 -0.21 -0.11 0.50 -0.01 0.00 0.00 175.02 175.22 1um1 s ARG 89 N 1.73 2.53 -0.02 2.03 3.52 -1.26 0.08 118.95 127.57 1um1 s ARG 89 Ca 0.07 -0.69 -0.00 0.00 -0.13 0.00 0.00 55.73 54.97 1um1 s ARG 89 Cb -0.16 -2.44 0.02 0.00 -1.56 0.00 0.00 34.95 30.81 1um1 s ARG 89 CO 0.10 0.62 0.03 -0.06 -0.81 0.00 0.00 175.30 175.17 1um1 s PHE 90 N -0.83 0.01 -0.83 5.12 0.08 -0.23 0.13 117.98 121.42 1um1 s PHE 90 Ca 0.13 0.10 -0.16 0.00 0.12 0.00 0.00 56.93 57.13 1um1 s PHE 90 Cb -0.11 -0.13 0.19 0.00 -0.57 0.00 0.00 43.02 42.39 1um1 s PHE 90 CO 0.03 -0.06 0.85 -1.17 -0.10 0.00 0.00 175.22 174.77 1um1 s LEU 91 N 0.64 6.21 0.28 -0.37 2.96 -0.36 0.01 118.68 128.05 1um1 s LEU 91 Ca -0.05 -2.42 -0.11 0.00 -0.22 0.00 0.00 54.13 51.33 1um1 s LEU 91 Cb -0.08 -2.27 -0.08 0.00 0.50 0.00 0.00 46.19 44.27 1um1 s LEU 91 CO -0.02 -0.74 0.63 -0.69 -1.32 0.00 0.00 176.35 174.21 1um1 s VAL 92 N 1.02 4.84 0.02 1.68 1.01 -0.60 0.17 120.40 128.55 1um1 s VAL 92 Ca 0.21 0.63 0.08 0.00 0.00 0.00 0.00 61.98 62.90 1um1 s VAL 92 Cb -0.10 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 1um1 s VAL 92 CO -0.08 -0.15 -0.24 0.00 0.00 0.00 0.00 175.10 174.63 1um1 s ALA 93 N -1.92 2.32 -0.69 5.51 0.00 -0.99 -1.02 121.76 124.96 1um1 s ALA 93 Ca 0.50 -1.20 -0.26 0.00 0.00 0.00 0.00 51.96 51.00 1um1 s ALA 93 Cb -0.11 -0.57 -0.06 0.00 0.00 0.00 0.00 23.12 22.38 1um1 s ALA 93 CO 0.21 0.54 2.11 0.21 0.00 0.00 0.00 175.76 178.82 1um1 s LYS 94 N -1.09 2.30 0.67 0.00 2.36 -1.10 -4.25 119.74 118.63 1um1 s LYS 94 Ca 0.12 0.53 -0.05 0.00 -2.55 0.00 0.00 55.97 54.01 1um1 s LYS 94 Cb -0.10 -4.68 0.05 0.00 -1.05 0.00 0.00 37.83 32.05 1um1 s LYS 94 CO 0.02 -3.34 0.97 -1.12 1.55 0.00 0.00 175.35 173.42 1um1 s SER 95 N 9.51 4.96 0.74 1.43 0.01 -1.26 -4.76 113.70 124.34 1um1 s SER 95 Ca 0.79 0.41 -0.06 0.00 1.31 0.00 0.00 55.95 58.40 1um1 s SER 95 Cb -0.12 -1.13 0.10 0.00 0.21 0.00 0.00 66.02 65.09 1um1 s SER 95 CO 0.14 -1.47 1.04 -1.81 0.41 0.00 0.00 173.24 171.54 1um1 s ASP 96 N -4.48 4.41 0.01 2.44 1.01 -1.26 -5.01 116.67 113.78 1um1 s ASP 96 Ca 0.59 0.12 -0.25 0.00 0.71 0.00 0.00 52.55 53.73 1um1 s ASP 96 Cb -0.11 -0.61 -0.18 0.00 1.01 0.00 0.00 42.92 43.03 1um1 s ASP 96 CO 0.44 -1.84 1.37 0.58 0.21 0.00 0.00 175.17 175.93 1um1 h VAL 97 N -0.70 1.31 -0.76 -1.27 2.07 -1.99 -3.20 116.25 111.71 1um1 h VAL 97 Ca -0.42 -0.94 0.11 0.00 0.82 0.00 0.00 66.70 66.27 1um1 h VAL 97 Cb 1.28 1.90 -0.13 0.00 -1.52 0.00 0.00 31.29 32.83 1um1 h VAL 97 CO 0.49 0.25 -0.41 -0.33 0.02 0.00 0.00 177.57 177.59 1um1 h GLU 98 N -0.33 -0.11 -0.92 1.57 5.08 -1.98 0.33 114.58 118.22 1um1 h GLU 98 Ca 0.01 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.47 1um1 h GLU 98 Cb 0.41 0.03 -0.12 0.00 0.50 0.00 0.00 28.75 29.57 1um1 h GLU 98 CO 0.00 -0.07 -0.50 2.41 -1.00 0.00 0.00 179.01 179.85 1um1 n THR 99 N -5.42 -0.59 0.06 1.13 -1.04 -1.21 0.24 114.28 107.46 1um1 n THR 99 Ca 0.05 2.20 -0.11 0.00 -2.04 0.00 0.00 64.05 64.15 1um1 n THR 99 Cb 0.36 -2.76 -0.05 0.00 -1.82 0.00 0.00 70.33 66.06 1um1 n THR 99 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1um1 h ALA 100 N 0.62 -0.30 -0.83 2.41 0.00 -1.06 -1.08 119.26 119.02 1um1 h ALA 100 Ca 0.18 -0.00 0.20 0.00 0.00 0.00 0.00 54.91 55.29 1um1 h ALA 100 Cb 0.41 0.39 -0.15 0.00 0.00 0.00 0.00 17.79 18.45 1um1 h ALA 100 CO -0.87 -0.73 0.03 0.87 0.00 0.00 0.00 179.25 178.56 1um1 h LYS 101 N -0.36 0.09 -0.79 0.00 1.57 0.11 1.66 116.57 118.85 1um1 h LYS 101 Ca 0.06 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1um1 h LYS 101 Cb 0.43 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 1um1 h LYS 101 CO -0.19 0.06 0.52 0.87 -0.57 0.00 0.00 179.45 180.14 1um1 h LYS 102 N 0.10 0.98 -0.03 3.15 1.57 0.89 0.25 116.57 123.48 1um1 h LYS 102 Ca 0.47 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 59.08 1um1 h LYS 102 Cb 0.88 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1um1 h LYS 102 CO -0.73 0.65 -0.50 0.82 -0.57 0.00 0.00 179.45 179.12 1um1 h ILE 103 N 1.01 1.36 -4.15 1.86 1.08 0.33 0.18 117.51 119.17 1um1 h ILE 103 Ca 0.31 -1.72 -0.54 0.00 -0.39 0.00 0.00 64.86 62.51 1um1 h ILE 103 Cb -0.02 1.90 0.16 0.00 -3.07 0.00 0.00 36.82 35.79 1um1 h ILE 103 CO -0.08 0.50 0.43 -1.00 -0.69 0.00 0.00 178.15 177.31 1um1 s HIS 104 N -3.91 2.01 -0.73 1.37 3.76 0.18 -4.83 115.29 113.14 1um1 s HIS 104 Ca -0.03 1.57 -0.13 0.00 -0.15 0.00 0.00 55.06 56.32 1um1 s HIS 104 Cb 0.13 -3.56 0.19 0.00 1.11 0.00 0.00 32.58 30.45 1um1 s HIS 104 CO 0.76 -2.77 0.66 -1.12 -0.85 0.00 0.00 174.74 171.41 1um1 s SER 105 N -1.80 6.45 0.00 1.40 0.01 -1.26 -4.70 113.70 113.80 1um1 s SER 105 Ca 0.77 -2.47 0.00 0.00 1.31 0.00 0.00 55.95 55.57 1um1 s SER 105 Cb -0.32 -2.17 0.00 0.00 0.21 0.00 0.00 66.02 63.74 1um1 s SER 105 CO 0.44 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1um1 n GLY 106 N 4.26 2.84 3.81 3.44 0.00 -1.26 -5.07 105.19 113.21 1um1 n GLY 106 Ca 0.06 -1.89 -0.31 0.00 0.00 0.00 0.00 46.02 43.88 1um1 n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1um1 s PRO 107 N -3.26 2.55 0.23 1.61 0.04 -1.26 -5.03 135.00 129.89 1um1 s PRO 107 Ca 0.00 0.81 -0.13 0.00 0.04 0.00 0.00 61.00 61.72 1um1 s PRO 107 Cb 0.00 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1um1 s PRO 107 CO 0.00 -1.33 0.48 -1.54 0.04 0.00 0.00 177.00 174.64 1um1 s SER 108 N -3.84 -0.11 -0.87 6.66 1.04 -1.26 -5.10 113.70 110.21 1um1 s SER 108 Ca 0.59 -0.85 -0.12 0.00 0.48 0.00 0.00 55.95 56.05 1um1 s SER 108 Cb -0.14 0.58 0.23 0.00 0.10 0.00 0.00 66.02 66.78 1um1 s SER 108 CO 0.55 -1.12 0.81 -0.44 0.98 0.00 0.00 173.24 174.02 1um1 s SER 109 N -2.99 6.74 0.00 7.02 0.01 -1.26 -5.24 113.70 117.98 1um1 s SER 109 Ca 0.20 -2.92 0.00 0.00 1.31 0.00 0.00 55.95 54.53 1um1 s SER 109 Cb -0.01 -2.17 0.00 0.00 0.21 0.00 0.00 66.02 64.05 1um1 s SER 109 CO 0.07 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 173.84