#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 -6.87 -1.64 1.61 7.64 -1.26 -5.01 113.62 108.09 1um1 n SER 2 Ca 0.00 1.24 0.00 0.00 1.01 0.00 0.00 58.87 61.12 1um1 n SER 2 Cb 0.00 -3.71 0.00 0.00 -1.01 0.00 0.00 64.21 59.49 1um1 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1um1 n SER 3 N -1.65 -8.58 -3.15 6.43 7.64 -1.26 -5.06 113.62 108.00 1um1 n SER 3 Ca 0.00 1.19 0.04 0.00 1.01 0.00 0.00 58.87 61.11 1um1 n SER 3 Cb 0.19 -4.33 -0.01 0.00 -1.01 0.00 0.00 64.21 59.05 1um1 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1um1 s GLY 4 N -1.88 -0.82 0.38 0.23 0.00 -1.26 -5.17 107.32 98.80 1um1 s GLY 4 Ca 0.00 2.07 0.08 0.00 0.00 0.00 0.00 44.72 46.87 1um1 s GLY 4 CO 0.00 3.55 0.24 -0.45 0.00 0.00 0.00 173.10 176.44 1um1 s SER 5 N 2.89 4.79 0.15 1.64 0.15 -1.26 -5.14 113.70 116.92 1um1 s SER 5 Ca 0.14 -0.82 -0.25 0.00 0.70 0.00 0.00 55.95 55.72 1um1 s SER 5 Cb -0.13 -0.64 0.06 0.00 -1.71 0.00 0.00 66.02 63.60 1um1 s SER 5 CO -0.18 -0.48 0.96 -0.94 1.20 0.00 0.00 173.24 173.80 1um1 s SER 6 N -3.96 -0.17 0.00 5.45 1.04 -1.26 -5.18 113.70 109.61 1um1 s SER 6 Ca 0.42 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.44 1um1 s SER 6 Cb -0.01 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1um1 s SER 6 CO 0.25 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 174.18 1um1 n GLY 7 N -0.47 1.75 3.23 7.32 0.00 -1.26 -5.12 105.19 110.63 1um1 n GLY 7 Ca -0.06 -1.78 -0.26 0.00 0.00 0.00 0.00 46.02 43.92 1um1 n GLY 7 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1um1 s TYR 8 N 3.21 1.79 0.26 1.61 -0.85 -1.26 -5.03 117.35 117.07 1um1 s TYR 8 Ca 0.00 -0.35 -0.03 0.00 -0.52 0.00 0.00 57.07 56.16 1um1 s TYR 8 Cb 0.00 -1.11 -0.05 0.00 0.38 0.00 0.00 41.96 41.18 1um1 s TYR 8 CO 0.00 0.03 0.50 0.08 -1.52 0.00 0.00 175.55 174.63 1um1 s VAL 9 N -0.62 5.09 -0.04 -3.49 1.01 -1.26 -2.70 120.40 118.38 1um1 s VAL 9 Ca 0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 1um1 s VAL 9 Cb -0.08 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.58 1um1 s VAL 9 CO 0.00 -0.27 0.11 0.72 0.00 0.00 0.00 175.10 175.66 1um1 s PHE 10 N -2.01 -0.11 0.58 5.22 -0.71 0.21 -4.95 117.98 116.21 1um1 s PHE 10 Ca 0.42 0.30 -0.07 0.00 -1.04 0.00 0.00 56.93 56.54 1um1 s PHE 10 Cb -0.11 0.01 -0.01 0.00 -1.21 0.00 0.00 43.02 41.70 1um1 s PHE 10 CO 0.30 -0.07 0.92 0.99 -1.34 0.00 0.00 175.22 176.01 1um1 s THR 11 N 0.26 4.18 -0.17 -4.49 2.01 -1.26 -0.39 115.64 115.79 1um1 s THR 11 Ca -0.02 0.28 -0.04 0.00 0.31 0.00 0.00 61.69 62.22 1um1 s THR 11 Cb -0.03 -3.65 0.07 0.00 0.01 0.00 0.00 72.50 68.90 1um1 s THR 11 CO -0.01 -0.72 0.15 -0.69 -0.69 0.00 0.00 174.62 172.66 1um1 s VAL 12 N -3.01 -0.21 -0.30 3.82 1.01 0.29 -4.83 120.40 117.17 1um1 s VAL 12 Ca 0.53 -0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.35 1um1 s VAL 12 Cb -0.11 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 1um1 s VAL 12 CO 0.48 -0.18 0.17 -1.61 0.00 0.00 0.00 175.10 173.95 1um1 s GLU 13 N 2.24 3.52 0.33 2.72 2.02 -1.26 -0.37 118.70 127.90 1um1 s GLU 13 Ca 0.04 -0.60 0.03 0.00 0.02 0.00 0.00 54.97 54.47 1um1 s GLU 13 Cb -0.15 -3.60 -0.06 0.00 0.10 0.00 0.00 34.13 30.42 1um1 s GLU 13 CO -0.10 -0.35 0.07 -0.51 0.02 0.00 0.00 175.26 174.39 1um1 s LEU 14 N 1.66 2.10 -0.16 1.80 1.43 0.36 -4.98 118.68 120.90 1um1 s LEU 14 Ca 0.06 -1.40 0.01 0.00 -1.03 0.00 0.00 54.13 51.76 1um1 s LEU 14 Cb -0.17 -0.32 0.00 0.00 0.03 0.00 0.00 46.19 45.74 1um1 s LEU 14 CO 0.08 -0.65 -0.17 -0.70 0.23 0.00 0.00 176.35 175.14 1um1 s GLU 15 N -3.89 3.15 -0.32 1.70 2.56 -1.26 0.10 118.70 120.74 1um1 s GLU 15 Ca 0.35 -0.78 -0.29 0.00 0.00 0.00 0.00 54.97 54.26 1um1 s GLU 15 Cb 0.08 -2.59 -0.07 0.00 2.00 0.00 0.00 34.13 33.55 1um1 s GLU 15 CO 0.15 -0.02 2.28 -2.13 -0.56 0.00 0.00 175.26 174.98 1um1 n ARG 16 N 4.15 1.56 -0.71 4.30 0.63 0.47 -4.74 116.66 122.31 1um1 n ARG 16 Ca -0.19 0.35 -0.21 0.00 -0.92 0.00 0.00 57.85 56.88 1um1 n ARG 16 Cb 0.51 -3.12 0.17 0.00 0.45 0.00 0.00 32.46 30.47 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 5.98 -2.70 0.00 5.14 0.00 -1.26 -4.72 105.19 107.62 1um1 n GLY 17 Ca 0.34 -1.48 0.11 0.00 0.00 0.00 0.00 46.02 45.00 1um1 n GLY 17 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1um1 n PRO 18 N -3.83 0.15 -0.01 1.61 -0.04 -1.26 -2.37 135.00 129.26 1um1 n PRO 18 Ca 0.10 0.10 0.09 0.00 -0.04 0.00 0.00 63.50 63.76 1um1 n PRO 18 Cb 0.41 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.23 1um1 n PRO 18 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1um1 n SER 19 N -1.40 0.71 -0.08 3.54 7.64 -1.26 -5.00 113.62 117.77 1um1 n SER 19 Ca 0.08 -0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1um1 n SER 19 Cb 0.22 1.74 0.00 0.00 -1.01 0.00 0.00 64.21 65.16 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 1.43 0.69 7.00 0.23 0.00 -1.00 -4.97 105.19 108.57 1um1 n GLY 20 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.08 0.00 -2.70 0.99 4.77 -1.26 -4.74 117.00 113.98 1um1 n LEU 21 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1um1 n LEU 21 Cb 0.05 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.23 1um1 n LEU 21 CO 0.00 -0.12 0.50 0.61 -1.33 0.00 0.00 177.39 177.05 1um1 n GLY 22 N 0.00 0.34 3.07 -0.72 0.00 -1.26 -4.77 105.19 101.86 1um1 n GLY 22 Ca 0.00 0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1um1 n GLY 22 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1um1 s MET 23 N 0.18 1.80 -0.96 1.61 0.00 -1.26 -0.13 119.30 120.54 1um1 s MET 23 Ca 0.19 -1.78 -0.19 0.00 0.00 0.00 0.00 55.69 53.91 1um1 s MET 23 Cb 0.30 -3.34 -0.10 0.00 0.00 0.00 0.00 34.83 31.69 1um1 s MET 23 CO -0.08 -0.95 2.02 0.41 0.00 0.00 0.00 175.02 176.42 1um1 n GLY 24 N 4.42 3.09 3.81 2.11 0.00 -0.76 -4.92 105.19 112.94 1um1 n GLY 24 Ca -0.01 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 1um1 n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1um1 s LEU 25 N 1.41 3.49 0.04 0.99 1.43 -1.26 -0.74 118.68 124.04 1um1 s LEU 25 Ca 0.54 1.78 -0.14 0.00 -1.03 0.00 0.00 54.13 55.28 1um1 s LEU 25 Cb 0.14 -4.53 0.02 0.00 0.03 0.00 0.00 46.19 41.85 1um1 s LEU 25 CO 0.06 -1.12 0.30 -0.51 0.23 0.00 0.00 176.35 175.31 1um1 s ILE 26 N -2.51 0.08 -0.14 -0.59 2.07 -1.04 -4.84 121.20 114.23 1um1 s ILE 26 Ca 0.63 -0.67 -0.29 0.00 -1.41 0.00 0.00 60.65 58.90 1um1 s ILE 26 Cb -0.15 -0.92 -0.02 0.00 0.13 0.00 0.00 42.46 41.50 1um1 s ILE 26 CO 0.37 -0.37 1.32 -0.62 -1.91 0.00 0.00 174.94 173.73 1um1 s ASP 27 N -2.02 6.91 0.50 4.50 2.15 -1.26 -3.36 116.67 124.08 1um1 s ASP 27 Ca -0.05 1.79 0.45 0.00 0.43 0.00 0.00 52.55 55.16 1um1 s ASP 27 Cb -0.01 -2.54 1.54 0.00 -0.30 0.00 0.00 42.92 41.61 1um1 s ASP 27 CO -0.03 -0.78 1.39 0.61 -0.17 0.00 0.00 175.17 176.20 1um1 n GLY 28 N 3.68 -0.88 0.06 2.66 0.00 -0.76 0.19 105.19 110.14 1um1 n GLY 28 Ca 0.14 0.61 -0.12 0.00 0.00 0.00 0.00 46.02 46.66 1um1 n GLY 28 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1um1 h MET 29 N 0.00 0.08 -0.57 1.61 2.86 -1.72 -2.12 114.93 115.07 1um1 h MET 29 Ca 0.83 -0.02 0.10 0.00 -2.06 0.00 0.00 59.70 58.56 1um1 h MET 29 Cb 3.38 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 34.99 1um1 h MET 29 CO -0.01 0.24 0.39 0.45 1.06 0.00 0.00 176.91 179.04 1um1 h HIS 30 N -0.10 0.37 -3.54 -0.22 3.86 0.17 -3.39 115.15 112.30 1um1 h HIS 30 Ca 0.02 0.01 -0.46 0.00 -1.16 0.00 0.00 60.37 58.78 1um1 h HIS 30 Cb 0.19 -0.12 0.09 0.00 1.06 0.00 0.00 27.41 28.63 1um1 h HIS 30 CO -0.01 0.17 0.22 0.95 0.86 0.00 0.00 177.93 180.12 1um1 s THR 31 N -5.33 2.25 -0.09 2.45 -4.23 -0.94 -4.94 115.64 104.81 1um1 s THR 31 Ca -0.07 -0.30 0.28 0.00 -1.18 0.00 0.00 61.69 60.42 1um1 s THR 31 Cb 0.20 -2.95 0.29 0.00 1.34 0.00 0.00 72.50 71.38 1um1 s THR 31 CO 0.74 0.00 1.85 0.45 -0.54 0.00 0.00 174.62 177.12 1um1 h HIS 32 N -0.66 0.00 -0.92 3.99 3.86 -1.35 -2.28 115.15 117.80 1um1 h HIS 32 Ca -0.43 0.00 0.27 0.00 -1.16 0.00 0.00 60.37 59.04 1um1 h HIS 32 Cb 1.30 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.73 1um1 h HIS 32 CO 0.13 0.00 0.69 1.25 0.86 0.00 0.00 177.93 180.86 1um1 h LEU 33 N 0.00 0.00 1.73 2.43 5.85 -1.69 -3.44 115.31 120.19 1um1 h LEU 33 Ca 0.00 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 1um1 h LEU 33 Cb 0.19 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1um1 h LEU 33 CO 0.00 0.00 -0.14 0.61 -0.34 0.00 0.00 178.44 178.57 1um1 n GLY 34 N -1.70 -0.01 3.19 3.75 0.00 -0.84 -4.89 105.19 104.69 1um1 n GLY 34 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.98 1.43 0.16 4.61 0.00 -1.23 -4.86 121.76 119.90 1um1 s ALA 35 Ca 0.00 -0.95 -0.30 0.00 0.00 0.00 0.00 51.96 50.71 1um1 s ALA 35 Cb 0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 23.12 22.81 1um1 s ALA 35 CO 0.00 0.29 1.13 -1.25 0.00 0.00 0.00 175.76 175.93 1um1 s PRO 36 N -1.24 4.55 0.00 0.00 0.04 -1.26 -2.19 135.00 134.90 1um1 s PRO 36 Ca 0.04 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1um1 s PRO 36 Cb -0.08 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1um1 s PRO 36 CO 0.02 0.00 0.00 0.41 0.04 0.00 0.00 177.00 177.47 1um1 n GLY 37 N 2.23 0.32 3.44 0.56 0.00 -1.26 -4.91 105.19 105.57 1um1 n GLY 37 Ca 0.04 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.27 1um1 n GLY 37 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1um1 s LEU 38 N 0.00 2.60 0.24 0.99 1.98 -1.26 -1.83 118.68 121.40 1um1 s LEU 38 Ca 0.00 -0.26 -0.12 0.00 -2.89 0.00 0.00 54.13 50.86 1um1 s LEU 38 Cb 0.00 -1.51 -0.01 0.00 0.66 0.00 0.00 46.19 45.33 1um1 s LEU 38 CO 0.00 0.34 0.45 -0.31 -1.89 0.00 0.00 176.35 174.93 1um1 s TYR 39 N -0.72 0.41 -0.12 5.38 1.51 -1.21 -2.88 117.35 119.71 1um1 s TYR 39 Ca 0.11 -0.76 -0.17 0.00 -1.01 0.00 0.00 57.07 55.25 1um1 s TYR 39 Cb -0.10 0.13 -0.04 0.00 -0.11 0.00 0.00 41.96 41.83 1um1 s TYR 39 CO 0.01 -0.95 0.42 0.42 -1.11 0.00 0.00 175.55 174.33 1um1 s ILE 40 N -4.02 5.21 -0.14 2.71 1.01 -0.88 -2.50 121.20 122.58 1um1 s ILE 40 Ca 0.23 0.83 0.03 0.00 0.00 0.00 0.00 60.65 61.74 1um1 s ILE 40 Cb 0.00 -3.75 -0.11 0.00 0.01 0.00 0.00 42.46 38.61 1um1 s ILE 40 CO 0.08 0.37 -0.09 1.67 0.00 0.00 0.00 174.94 176.97 1um1 n GLN 41 N 3.48 0.77 -4.08 2.79 7.27 0.08 0.19 117.38 127.88 1um1 n GLN 41 Ca -0.09 0.07 -0.13 0.00 0.07 0.00 0.00 57.00 56.91 1um1 n GLN 41 Cb 0.52 -1.30 -0.05 0.00 2.41 0.00 0.00 30.24 31.81 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 -2.30 0.00 -0.30 1.69 -4.23 -1.04 -4.84 115.64 104.62 1um1 s THR 42 Ca -0.17 -1.60 -0.03 0.00 -1.18 0.00 0.00 61.69 58.71 1um1 s THR 42 Cb 0.05 -2.52 0.11 0.00 1.34 0.00 0.00 72.50 71.48 1um1 s THR 42 CO 0.38 0.00 0.16 -0.76 -0.54 0.00 0.00 174.62 173.87 1um1 s LEU 43 N -3.18 0.54 0.30 4.79 1.43 -1.26 -1.84 118.68 119.46 1um1 s LEU 43 Ca 0.30 -1.41 -0.26 0.00 -1.03 0.00 0.00 54.13 51.72 1um1 s LEU 43 Cb 0.00 -0.27 -0.15 0.00 0.03 0.00 0.00 46.19 45.81 1um1 s LEU 43 CO 0.17 -0.41 0.63 -0.11 0.23 0.00 0.00 176.35 176.85 1um1 n LEU 44 N 5.02 -0.24 -4.79 1.79 0.00 0.82 -4.85 117.00 114.75 1um1 n LEU 44 Ca -0.02 1.06 -0.35 0.00 0.00 0.00 0.00 56.01 56.70 1um1 n LEU 44 Cb 0.42 -1.08 -0.04 0.00 0.00 0.00 0.00 43.42 42.72 1um1 n LEU 44 CO 0.06 -2.62 0.72 -2.16 0.00 0.00 0.00 177.39 173.39 1um1 s PRO 45 N -1.30 3.93 -0.56 1.96 0.04 -1.26 -3.01 135.00 134.80 1um1 s PRO 45 Ca 0.62 1.42 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1um1 s PRO 45 Cb -0.76 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 31.52 1um1 s PRO 45 CO 0.58 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.70 1um1 n GLY 46 N -0.03 0.54 3.97 0.56 0.00 -1.26 -4.95 105.19 104.02 1um1 n GLY 46 Ca 0.08 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.22 5.22 0.10 1.61 1.04 -1.16 -4.93 113.70 113.36 1um1 s SER 47 Ca 0.00 -0.02 -0.11 0.00 0.48 0.00 0.00 55.95 56.29 1um1 s SER 47 Cb 0.00 -0.83 -0.17 0.00 0.10 0.00 0.00 66.02 65.12 1um1 s SER 47 CO 0.00 -1.19 1.26 1.55 0.98 0.00 0.00 173.24 175.84 1um1 h PRO 48 N 0.03 0.68 0.00 4.02 0.13 -1.86 0.33 132.00 135.33 1um1 h PRO 48 Ca -0.42 -0.65 0.00 0.00 -0.87 0.00 0.00 66.00 64.06 1um1 h PRO 48 Cb 1.30 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.59 1um1 h PRO 48 CO 0.52 1.25 0.00 0.00 -0.23 0.00 0.00 178.00 179.54 1um1 h ALA 49 N 0.53 1.00 0.00 -0.56 0.00 -1.89 -1.94 119.26 116.40 1um1 h ALA 49 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.45 1um1 h ALA 49 Cb 1.56 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.29 1um1 h ALA 49 CO 0.18 0.00 -2.32 0.00 0.00 0.00 0.00 179.25 177.11 1um1 n ALA 50 N -1.93 1.48 -0.36 0.00 0.00 -1.11 -4.29 120.51 114.30 1um1 n ALA 50 Ca -0.02 -0.97 0.26 0.00 0.00 0.00 0.00 53.44 52.71 1um1 n ALA 50 Cb 0.08 0.05 0.53 0.00 0.00 0.00 0.00 19.45 20.11 1um1 n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1um1 h ALA 51 N -0.31 2.27 0.74 0.00 0.00 0.23 0.21 119.26 122.39 1um1 h ALA 51 Ca -0.55 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1um1 h ALA 51 Cb 1.70 0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.59 1um1 h ALA 51 CO -0.19 -0.77 -0.35 0.22 0.00 0.00 0.00 179.25 178.16 1um1 h ASP 52 N 0.32 -0.84 0.00 0.00 1.82 -1.58 -3.47 116.42 112.67 1um1 h ASP 52 Ca 0.68 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 57.34 1um1 h ASP 52 Cb 1.77 0.22 0.00 0.00 0.68 0.00 0.00 39.33 42.00 1um1 h ASP 52 CO -0.39 -0.59 0.00 0.61 -1.61 0.00 0.00 179.24 177.26 1um1 n GLY 53 N -1.46 2.76 0.40 -0.78 0.00 0.73 -4.85 105.19 101.99 1um1 n GLY 53 Ca -0.14 -0.69 -0.05 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.04 -6.00 1.61 1.12 -1.89 -3.39 114.38 105.79 1um1 h ARG 54 Ca 0.00 0.00 -0.82 0.00 -1.11 0.00 0.00 59.98 58.06 1um1 h ARG 54 Cb 0.00 0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 29.95 1um1 h ARG 54 CO 0.00 -0.02 1.04 1.28 -3.11 0.00 0.00 179.97 179.16 1um1 n LEU 55 N -5.40 1.00 -4.82 3.80 4.32 -1.26 -4.90 117.00 109.75 1um1 n LEU 55 Ca 0.06 0.90 -0.32 0.00 -0.02 0.00 0.00 56.01 56.64 1um1 n LEU 55 Cb 0.35 -0.90 -0.05 0.00 -1.62 0.00 0.00 43.42 41.19 1um1 n LEU 55 CO -0.12 -0.79 -0.17 -0.94 -1.22 0.00 0.00 177.39 174.14 1um1 s SER 56 N 4.67 4.28 -0.08 -1.43 1.04 -1.26 -4.94 113.70 115.97 1um1 s SER 56 Ca 1.13 -1.61 -0.21 0.00 0.48 0.00 0.00 55.95 55.75 1um1 s SER 56 Cb -1.48 0.65 -0.04 0.00 0.10 0.00 0.00 66.02 65.25 1um1 s SER 56 CO 0.73 -0.98 0.59 -0.76 0.98 0.00 0.00 173.24 173.79 1um1 s LEU 57 N -4.01 4.31 0.00 2.42 1.43 -1.26 -3.68 118.68 117.89 1um1 s LEU 57 Ca 0.08 1.01 0.00 0.00 -1.03 0.00 0.00 54.13 54.20 1um1 s LEU 57 Cb -0.00 -2.89 0.00 0.00 0.03 0.00 0.00 46.19 43.33 1um1 s LEU 57 CO 0.05 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.20 1um1 n GLY 58 N 3.11 2.65 3.12 -3.19 0.00 0.50 -4.60 105.19 106.78 1um1 n GLY 58 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.63 -3.79 1.61 8.00 -1.24 -4.46 116.55 113.03 1um1 n ASP 59 Ca 0.00 0.08 -0.23 0.00 0.71 0.00 0.00 54.79 55.34 1um1 n ASP 59 Cb 0.00 -0.77 -0.17 0.00 -0.02 0.00 0.00 41.12 40.15 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 -2.53 0.74 0.02 -1.24 3.52 -1.26 -2.08 118.95 116.11 1um1 s ARG 60 Ca 0.44 0.06 -0.30 0.00 -0.13 0.00 0.00 55.73 55.80 1um1 s ARG 60 Cb -0.07 -1.06 -0.04 0.00 -1.56 0.00 0.00 34.95 32.22 1um1 s ARG 60 CO 0.71 -0.30 1.10 0.42 -0.81 0.00 0.00 175.30 176.43 1um1 s ILE 61 N 1.93 4.42 -0.16 4.11 -1.09 -1.14 -3.26 121.20 126.02 1um1 s ILE 61 Ca 0.05 1.73 0.04 0.00 -2.23 0.00 0.00 60.65 60.25 1um1 s ILE 61 Cb -0.12 -4.11 -0.12 0.00 -1.58 0.00 0.00 42.46 36.52 1um1 s ILE 61 CO -0.06 0.12 -0.09 0.18 -1.23 0.00 0.00 174.94 173.86 1um1 n LEU 62 N 4.08 2.09 -4.18 2.97 4.77 0.43 -4.76 117.00 122.40 1um1 n LEU 62 Ca 0.08 -0.06 -0.11 0.00 -0.03 0.00 0.00 56.01 55.89 1um1 n LEU 62 Cb 0.48 -0.31 -0.10 0.00 -2.33 0.00 0.00 43.42 41.16 1um1 n LEU 62 CO 0.54 0.64 -0.37 -1.61 -1.33 0.00 0.00 177.39 175.27 1um1 s GLU 63 N -2.33 0.89 -0.16 3.23 2.02 -1.25 -0.68 118.70 120.42 1um1 s GLU 63 Ca -0.18 -1.38 -0.04 0.00 0.02 0.00 0.00 54.97 53.39 1um1 s GLU 63 Cb 0.05 -0.17 0.08 0.00 0.10 0.00 0.00 34.13 34.19 1um1 s GLU 63 CO 0.43 -0.06 0.21 0.08 0.02 0.00 0.00 175.26 175.94 1um1 s VAL 64 N -3.67 -0.32 -1.49 2.63 1.01 -0.82 -2.05 120.40 115.69 1um1 s VAL 64 Ca 0.15 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.14 1um1 s VAL 64 Cb 0.06 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 35.90 1um1 s VAL 64 CO -0.03 -0.08 0.33 0.59 0.00 0.00 0.00 175.10 175.91 1um1 n ASN 65 N 5.32 -5.32 -0.63 3.32 3.02 0.20 -0.10 115.26 121.08 1um1 n ASN 65 Ca -0.05 -0.15 -0.06 0.00 -0.03 0.00 0.00 54.58 54.28 1um1 n ASN 65 Cb 0.50 -4.37 -0.01 0.00 -0.61 0.00 0.00 39.78 35.28 1um1 n ASN 65 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1um1 n GLY 66 N -1.22 0.36 3.05 7.41 0.00 -1.26 -4.96 105.19 108.57 1um1 n GLY 66 Ca -0.14 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.79 4.65 -0.46 1.61 0.15 0.85 -5.06 113.70 112.65 1um1 s SER 67 Ca 0.00 -1.81 -0.43 0.00 0.70 0.00 0.00 55.95 54.41 1um1 s SER 67 Cb 0.00 -1.60 -0.18 0.00 -1.71 0.00 0.00 66.02 62.53 1um1 s SER 67 CO 0.00 -0.30 1.53 -1.20 1.20 0.00 0.00 173.24 174.47 1um1 n SER 68 N 4.34 1.07 -2.34 5.45 7.64 -1.26 -1.94 113.62 126.58 1um1 n SER 68 Ca -0.04 1.04 -0.28 0.00 1.01 0.00 0.00 58.87 60.60 1um1 n SER 68 Cb 0.42 -0.81 0.02 0.00 -1.01 0.00 0.00 64.21 62.83 1um1 n SER 68 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1um1 n LEU 69 N 4.04 6.97 -4.48 -3.43 0.00 0.15 -4.88 117.00 115.37 1um1 n LEU 69 Ca 0.31 -4.02 -0.39 0.00 0.00 0.00 0.00 56.01 51.91 1um1 n LEU 69 Cb -0.05 -1.09 -0.11 0.00 0.00 0.00 0.00 43.42 42.17 1um1 n LEU 69 CO 0.83 1.51 -0.18 -0.76 0.00 0.00 0.00 177.39 178.79 1um1 s LEU 70 N -2.80 4.25 0.00 -1.96 1.43 -1.26 -4.51 118.68 113.82 1um1 s LEU 70 Ca 0.51 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1um1 s LEU 70 Cb 0.38 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.55 1um1 s LEU 70 CO -0.13 -0.20 0.00 0.61 0.23 0.00 0.00 176.35 176.85 1um1 n GLY 71 N 5.03 2.83 3.32 -3.19 0.00 -1.26 -5.02 105.19 106.90 1um1 n GLY 71 Ca -0.13 -0.72 -0.61 0.00 0.00 0.00 0.00 46.02 44.56 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 0.92 0.00 0.99 7.99 -1.26 -4.89 117.00 120.75 1um1 n LEU 72 Ca 0.00 0.88 0.00 0.00 -0.01 0.00 0.00 56.01 56.88 1um1 n LEU 72 Cb 0.00 -0.85 0.00 0.00 -0.11 0.00 0.00 43.42 42.46 1um1 n LEU 72 CO 0.00 -0.76 0.00 0.61 -1.51 0.00 0.00 177.39 175.73 1um1 n GLY 73 N 5.53 -3.49 0.06 -0.72 0.00 -1.26 -4.26 105.19 101.05 1um1 n GLY 73 Ca 0.41 -0.87 0.11 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 0.49 0.01 1.61 9.36 -1.26 -3.00 117.16 124.37 1um1 n TYR 74 Ca 0.00 0.14 -0.18 0.00 3.32 0.00 0.00 57.90 61.18 1um1 n TYR 74 Cb 0.00 -0.68 -0.14 0.00 -0.63 0.00 0.00 39.34 37.89 1um1 n TYR 74 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1um1 h LEU 75 N 0.00 0.33 0.31 2.98 3.38 -1.97 -3.05 115.31 117.28 1um1 h LEU 75 Ca 0.00 -0.68 -0.01 0.00 0.09 0.00 0.00 57.88 57.28 1um1 h LEU 75 Cb 0.93 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1um1 h LEU 75 CO 0.00 1.60 -0.15 0.03 0.09 0.00 0.00 178.44 180.01 1um1 h ARG 76 N 0.06 -0.40 -0.34 1.13 2.47 -1.88 0.12 114.38 115.55 1um1 h ARG 76 Ca -0.36 0.03 0.07 0.00 -1.26 0.00 0.00 59.98 58.45 1um1 h ARG 76 Cb 2.03 0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 30.38 1um1 h ARG 76 CO 0.10 -0.14 -0.08 0.00 0.56 0.00 0.00 179.97 180.41 1um1 h ALA 77 N -0.84 0.23 -0.71 0.04 0.00 -1.71 0.35 119.26 116.63 1um1 h ALA 77 Ca -0.04 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1um1 h ALA 77 Cb 0.44 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1um1 h ALA 77 CO 0.07 -0.45 0.43 -0.24 0.00 0.00 0.00 179.25 179.05 1um1 h VAL 78 N 0.01 1.20 -0.97 0.00 3.04 -1.62 -1.45 116.25 116.45 1um1 h VAL 78 Ca 0.17 -0.44 0.06 0.00 -1.01 0.00 0.00 66.70 65.47 1um1 h VAL 78 Cb 0.25 0.22 -0.06 0.00 -2.01 0.00 0.00 31.29 29.69 1um1 h VAL 78 CO -0.35 0.21 0.63 -0.78 -1.01 0.00 0.00 177.57 176.27 1um1 h ASP 79 N 0.96 1.01 0.66 3.17 3.58 0.96 1.71 116.42 128.48 1um1 h ASP 79 Ca 0.25 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.68 1um1 h ASP 79 Cb -0.04 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 40.80 1um1 h ASP 79 CO -0.05 0.66 -0.37 -0.07 -2.88 0.00 0.00 179.24 176.54 1um1 h LEU 80 N 1.16 -0.90 -1.01 2.28 3.38 0.65 1.45 115.31 122.32 1um1 h LEU 80 Ca 0.41 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.36 1um1 h LEU 80 Cb 0.12 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1um1 h LEU 80 CO -0.15 -0.59 0.01 0.40 0.09 0.00 0.00 178.44 178.20 1um1 h ILE 81 N -0.95 1.23 0.10 1.22 5.03 -0.86 -1.46 117.51 121.81 1um1 h ILE 81 Ca -0.09 -0.94 -0.01 0.00 -0.12 0.00 0.00 64.86 63.71 1um1 h ILE 81 Cb 0.75 0.89 0.00 0.00 -3.03 0.00 0.00 36.82 35.43 1um1 h ILE 81 CO 0.11 0.33 -0.05 -0.09 -0.68 0.00 0.00 178.15 177.77 1um1 h ARG 82 N 0.68 -0.13 -1.24 2.37 2.43 0.29 -2.62 114.38 116.16 1um1 h ARG 82 Ca 0.14 0.01 -0.33 0.00 -0.81 0.00 0.00 59.98 58.99 1um1 h ARG 82 Cb 0.41 0.03 -0.16 0.00 -0.42 0.00 0.00 29.97 29.83 1um1 h ARG 82 CO 0.02 0.07 0.42 0.72 -1.51 0.00 0.00 179.97 179.69 1um1 n HIS 83 N -5.06 1.72 0.00 2.20 8.25 0.49 -4.89 115.22 117.93 1um1 n HIS 83 Ca -0.08 -1.69 0.00 0.00 -0.26 0.00 0.00 57.72 55.69 1um1 n HIS 83 Cb 0.15 -0.83 0.00 0.00 1.12 0.00 0.00 29.99 30.43 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 -0.10 -3.24 2.70 -1.41 0.00 -0.57 -4.92 105.19 97.65 1um1 n GLY 84 Ca 0.34 -0.93 -0.06 0.00 0.00 0.00 0.00 46.02 45.37 1um1 n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1um1 n GLY 85 N 0.17 -0.59 5.43 -0.02 0.00 -1.26 -5.04 105.19 103.88 1um1 n GLY 85 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1um1 n GLY 85 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1um1 n LYS 86 N 0.66 0.00 -1.94 1.61 5.02 -1.26 -4.74 118.16 117.50 1um1 n LYS 86 Ca 0.01 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.88 1um1 n LYS 86 Cb 0.72 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.70 1um1 n LYS 86 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1um1 s LYS 87 N 0.00 3.12 -0.21 1.97 1.02 -1.26 0.18 119.74 124.55 1um1 s LYS 87 Ca 0.00 1.34 -0.02 0.00 0.02 0.00 0.00 55.97 57.31 1um1 s LYS 87 Cb 0.00 -4.27 0.00 0.00 -0.52 0.00 0.00 37.83 33.04 1um1 s LYS 87 CO 0.00 -2.12 -0.09 -1.64 -0.92 0.00 0.00 175.35 170.58 1um1 s MET 88 N 6.13 3.26 0.02 1.68 -1.94 0.29 -4.90 119.30 123.83 1um1 s MET 88 Ca 0.81 -0.69 0.07 0.00 -1.71 0.00 0.00 55.69 54.17 1um1 s MET 88 Cb -0.21 -2.87 -0.03 0.00 2.01 0.00 0.00 34.83 33.73 1um1 s MET 88 CO 0.31 -0.19 -0.21 0.50 -0.01 0.00 0.00 175.02 175.42 1um1 s ARG 89 N 1.40 2.07 -0.03 2.03 3.00 -1.26 0.13 118.95 126.29 1um1 s ARG 89 Ca 0.05 -0.96 -0.03 0.00 -1.00 0.00 0.00 55.73 53.79 1um1 s ARG 89 Cb -0.14 -2.14 0.01 0.00 0.00 0.00 0.00 34.95 32.68 1um1 s ARG 89 CO -0.06 0.55 0.09 -0.06 0.00 0.00 0.00 175.30 175.82 1um1 s PHE 90 N -0.82 -0.09 -0.85 5.12 0.08 0.50 0.61 117.98 122.53 1um1 s PHE 90 Ca 0.13 0.25 -0.15 0.00 0.12 0.00 0.00 56.93 57.27 1um1 s PHE 90 Cb -0.10 0.01 0.20 0.00 -0.57 0.00 0.00 43.02 42.56 1um1 s PHE 90 CO 0.03 -0.06 0.84 -1.17 -0.10 0.00 0.00 175.22 174.76 1um1 s LEU 91 N 0.17 6.42 0.29 -0.37 2.96 -0.87 0.10 118.68 127.39 1um1 s LEU 91 Ca -0.01 -2.56 -0.13 0.00 -0.22 0.00 0.00 54.13 51.21 1um1 s LEU 91 Cb -0.02 -2.25 -0.08 0.00 0.50 0.00 0.00 46.19 44.34 1um1 s LEU 91 CO -0.00 -0.67 0.67 -0.69 -1.32 0.00 0.00 176.35 174.33 1um1 s VAL 92 N 0.67 4.78 0.05 1.68 1.01 0.47 -0.43 120.40 128.64 1um1 s VAL 92 Ca 0.21 0.75 0.09 0.00 0.00 0.00 0.00 61.98 63.03 1um1 s VAL 92 Cb -0.09 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 1um1 s VAL 92 CO -0.09 -0.17 -0.26 0.00 0.00 0.00 0.00 175.10 174.58 1um1 s ALA 93 N -1.95 2.20 -0.69 5.51 0.00 -1.20 0.66 121.76 126.29 1um1 s ALA 93 Ca 0.51 -1.26 -0.26 0.00 0.00 0.00 0.00 51.96 50.96 1um1 s ALA 93 Cb -0.11 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 1um1 s ALA 93 CO 0.20 0.52 1.95 0.21 0.00 0.00 0.00 175.76 178.63 1um1 s LYS 94 N -1.30 2.53 0.70 0.00 2.36 -1.10 -4.39 119.74 118.54 1um1 s LYS 94 Ca 0.11 0.42 -0.03 0.00 -2.55 0.00 0.00 55.97 53.92 1um1 s LYS 94 Cb -0.10 -4.61 0.09 0.00 -1.05 0.00 0.00 37.83 32.17 1um1 s LYS 94 CO 0.02 -3.02 0.98 -1.12 1.55 0.00 0.00 175.35 173.76 1um1 s SER 95 N 8.50 4.58 0.53 1.43 0.01 -1.26 -4.77 113.70 122.72 1um1 s SER 95 Ca 0.71 0.00 -0.02 0.00 1.31 0.00 0.00 55.95 57.96 1um1 s SER 95 Cb -0.11 -0.55 0.01 0.00 0.21 0.00 0.00 66.02 65.58 1um1 s SER 95 CO 0.15 -1.70 0.78 -1.81 0.41 0.00 0.00 173.24 171.07 1um1 s ASP 96 N -4.62 5.56 0.07 2.44 1.11 -1.26 -5.01 116.67 114.96 1um1 s ASP 96 Ca 0.63 0.33 -0.24 0.00 0.18 0.00 0.00 52.55 53.45 1um1 s ASP 96 Cb -0.08 -1.38 -0.16 0.00 1.07 0.00 0.00 42.92 42.37 1um1 s ASP 96 CO 0.44 -0.97 1.65 -0.37 1.18 0.00 0.00 175.17 177.10 1um1 h VAL 97 N 0.10 0.98 -0.91 -1.27 -1.51 -1.98 -3.03 116.25 108.63 1um1 h VAL 97 Ca -0.45 -0.18 0.10 0.00 -1.23 0.00 0.00 66.70 64.94 1um1 h VAL 97 Cb 1.27 1.10 -0.12 0.00 -2.13 0.00 0.00 31.29 31.41 1um1 h VAL 97 CO 0.57 0.05 -0.53 -0.33 -1.23 0.00 0.00 177.57 176.10 1um1 h GLU 98 N -0.18 -0.05 -0.98 5.19 4.39 -1.98 0.88 114.58 121.85 1um1 h GLU 98 Ca -0.01 0.00 0.31 0.00 0.34 0.00 0.00 59.36 60.01 1um1 h GLU 98 Cb 0.15 0.01 -0.18 0.00 -0.10 0.00 0.00 28.75 28.63 1um1 h GLU 98 CO 0.02 -0.03 0.22 1.15 -1.16 0.00 0.00 179.01 179.20 1um1 h THR 99 N -0.05 0.05 -0.14 1.13 2.02 -1.92 1.44 112.91 115.44 1um1 h THR 99 Ca 0.19 -0.01 -0.23 0.00 0.77 0.00 0.00 66.41 67.13 1um1 h THR 99 Cb 0.48 0.01 0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1um1 h THR 99 CO -0.90 0.01 -0.81 0.00 0.37 0.00 0.00 175.52 174.19 1um1 h ALA 100 N 1.96 0.29 -1.04 6.16 0.00 0.50 -2.92 119.26 124.23 1um1 h ALA 100 Ca 0.67 -0.61 0.27 0.00 0.00 0.00 0.00 54.91 55.24 1um1 h ALA 100 Cb 1.54 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 19.21 1um1 h ALA 100 CO -0.84 0.69 0.64 0.87 0.00 0.00 0.00 179.25 180.60 1um1 h LYS 101 N 0.53 0.45 -0.04 0.00 1.57 0.65 1.77 116.57 121.49 1um1 h LYS 101 Ca -0.06 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.52 1um1 h LYS 101 Cb 1.44 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.64 1um1 h LYS 101 CO 0.17 0.29 -0.75 0.87 -0.57 0.00 0.00 179.45 179.46 1um1 h LYS 102 N 0.46 0.26 -0.02 3.15 1.57 -1.00 -2.70 116.57 118.29 1um1 h LYS 102 Ca 0.64 -0.22 -0.16 0.00 -1.87 0.00 0.00 60.65 59.04 1um1 h LYS 102 Cb 1.45 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.79 1um1 h LYS 102 CO -0.41 0.89 -0.72 0.82 -0.57 0.00 0.00 179.45 179.46 1um1 h ILE 103 N 0.17 1.47 -2.52 1.86 1.08 0.18 -0.92 117.51 118.83 1um1 h ILE 103 Ca -0.03 -2.35 -0.39 0.00 -0.39 0.00 0.00 64.86 61.71 1um1 h ILE 103 Cb 1.32 2.26 -0.37 0.00 -3.07 0.00 0.00 36.82 36.96 1um1 h ILE 103 CO 0.12 0.68 -0.68 -1.38 -0.69 0.00 0.00 178.15 176.20 1um1 s HIS 104 N -3.45 -0.15 0.38 1.37 -3.43 0.50 -4.87 115.29 105.63 1um1 s HIS 104 Ca -0.02 -0.22 0.05 0.00 -0.80 0.00 0.00 55.06 54.08 1um1 s HIS 104 Cb 0.12 -0.55 -0.07 0.00 -1.43 0.00 0.00 32.58 30.64 1um1 s HIS 104 CO 0.79 -0.75 0.03 -1.54 -2.00 0.00 0.00 174.74 171.28 1um1 s SER 105 N 2.26 3.27 -0.29 7.38 1.04 -1.03 -4.25 113.70 122.08 1um1 s SER 105 Ca 0.08 -1.40 -0.26 0.00 0.48 0.00 0.00 55.95 54.85 1um1 s SER 105 Cb -0.15 -0.21 0.04 0.00 0.10 0.00 0.00 66.02 65.80 1um1 s SER 105 CO -0.24 -0.55 0.44 0.61 0.98 0.00 0.00 173.24 174.48 1um1 n GLY 106 N -0.87 0.13 3.69 7.32 0.00 -1.26 -4.81 105.19 109.39 1um1 n GLY 106 Ca -0.05 0.76 -0.42 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.84 4.37 0.37 1.61 0.04 -1.26 -5.03 135.00 133.26 1um1 s PRO 107 Ca 0.25 1.70 0.08 0.00 0.04 0.00 0.00 61.00 63.07 1um1 s PRO 107 Cb -0.03 -3.51 -0.03 0.00 0.04 0.00 0.00 34.50 30.97 1um1 s PRO 107 CO 0.57 -0.40 0.28 0.45 0.04 0.00 0.00 177.00 177.94 1um1 s SER 108 N 1.39 5.01 -0.37 6.66 0.15 -1.26 -5.10 113.70 120.19 1um1 s SER 108 Ca 0.57 -0.68 -0.07 0.00 0.70 0.00 0.00 55.95 56.47 1um1 s SER 108 Cb -0.26 -0.76 0.05 0.00 -1.71 0.00 0.00 66.02 63.34 1um1 s SER 108 CO 0.24 -0.45 0.16 -0.94 1.20 0.00 0.00 173.24 173.45 1um1 s SER 109 N -3.99 5.43 0.00 5.45 1.04 -1.26 -5.26 113.70 115.11 1um1 s SER 109 Ca 0.42 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.58 1um1 s SER 109 Cb -0.04 -1.91 0.00 0.00 0.10 0.00 0.00 66.02 64.17 1um1 s SER 109 CO 0.26 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.69