#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1um1 s SER 2 N 0.00 -0.03 0.40 1.61 0.01 -1.26 -5.17 113.70 109.26 1um1 s SER 2 Ca 0.00 0.00 -0.03 0.00 1.31 0.00 0.00 55.95 57.23 1um1 s SER 2 Cb 0.00 0.84 -0.04 0.00 0.21 0.00 0.00 66.02 67.03 1um1 s SER 2 CO 0.00 -0.01 0.65 -0.55 0.41 0.00 0.00 173.24 173.75 1um1 s SER 3 N 2.81 6.31 0.29 2.44 0.15 -1.26 -4.94 113.70 119.50 1um1 s SER 3 Ca 0.30 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.65 1um1 s SER 3 Cb 0.02 -2.14 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 1um1 s SER 3 CO -0.21 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.44 1um1 n GLY 4 N -1.86 -3.71 2.03 9.45 0.00 -1.26 -5.06 105.19 104.77 1um1 n GLY 4 Ca -0.02 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1um1 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1um1 n SER 5 N -1.35 -0.59 -3.62 1.61 2.88 -1.26 -5.14 113.62 106.15 1um1 n SER 5 Ca 0.00 0.39 -0.11 0.00 -1.33 0.00 0.00 58.87 57.82 1um1 n SER 5 Cb 0.09 0.71 -0.07 0.00 -0.75 0.00 0.00 64.21 64.20 1um1 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1um1 s SER 6 N -4.51 -0.49 0.00 -3.46 1.04 -1.26 -5.16 113.70 99.85 1um1 s SER 6 Ca 0.00 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.28 1um1 s SER 6 Cb 0.00 0.82 0.00 0.00 0.10 0.00 0.00 66.02 66.94 1um1 s SER 6 CO 0.00 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.59 1um1 n GLY 7 N 1.88 3.57 3.27 7.32 0.00 -1.26 -5.14 105.19 114.82 1um1 n GLY 7 Ca -0.13 -1.74 -0.15 0.00 0.00 0.00 0.00 46.02 44.01 1um1 n GLY 7 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1um1 s TYR 8 N -2.27 1.34 0.08 1.61 5.04 -1.26 -5.08 117.35 116.80 1um1 s TYR 8 Ca 0.00 -0.78 0.05 0.00 -2.44 0.00 0.00 57.07 53.90 1um1 s TYR 8 Cb 0.00 -0.70 -0.03 0.00 0.35 0.00 0.00 41.96 41.58 1um1 s TYR 8 CO 0.00 0.07 -0.14 0.08 -1.34 0.00 0.00 175.55 174.23 1um1 s VAL 9 N -3.33 1.13 -0.02 3.14 1.01 -1.26 -2.08 120.40 118.99 1um1 s VAL 9 Ca 0.19 -1.39 -0.02 0.00 0.00 0.00 0.00 61.98 60.77 1um1 s VAL 9 Cb 0.03 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.26 1um1 s VAL 9 CO 0.02 -0.28 0.06 0.72 0.00 0.00 0.00 175.10 175.62 1um1 s PHE 10 N -1.48 -0.06 0.49 5.22 -0.71 -0.21 -4.98 117.98 116.25 1um1 s PHE 10 Ca 0.00 0.17 -0.08 0.00 -1.04 0.00 0.00 56.93 55.98 1um1 s PHE 10 Cb -0.09 -0.02 -0.05 0.00 -1.21 0.00 0.00 43.02 41.65 1um1 s PHE 10 CO 0.02 -0.05 0.83 0.99 -1.34 0.00 0.00 175.22 175.68 1um1 s THR 11 N 0.26 4.83 -0.04 -4.49 2.01 -1.26 -1.49 115.64 115.46 1um1 s THR 11 Ca -0.02 0.47 -0.02 0.00 0.31 0.00 0.00 61.69 62.43 1um1 s THR 11 Cb -0.03 -3.83 0.03 0.00 0.01 0.00 0.00 72.50 68.68 1um1 s THR 11 CO -0.01 -0.81 0.06 -0.69 -0.69 0.00 0.00 174.62 172.48 1um1 s VAL 12 N -2.72 -0.11 -0.41 3.82 1.01 -0.18 -4.91 120.40 116.89 1um1 s VAL 12 Ca 0.50 0.42 -0.06 0.00 0.00 0.00 0.00 61.98 62.84 1um1 s VAL 12 Cb -0.10 -0.15 0.09 0.00 0.00 0.00 0.00 36.38 36.22 1um1 s VAL 12 CO 0.43 0.18 0.23 -1.61 0.00 0.00 0.00 175.10 174.32 1um1 s GLU 13 N 2.12 2.34 0.22 2.72 2.02 -1.26 -0.83 118.70 126.04 1um1 s GLU 13 Ca 0.04 -1.63 0.07 0.00 0.02 0.00 0.00 54.97 53.47 1um1 s GLU 13 Cb -0.12 -3.67 -0.04 0.00 0.10 0.00 0.00 34.13 30.40 1um1 s GLU 13 CO -0.03 -1.01 0.16 -0.51 0.02 0.00 0.00 175.26 173.89 1um1 s LEU 14 N 1.29 3.76 -0.45 1.80 2.01 0.99 -4.91 118.68 123.17 1um1 s LEU 14 Ca 0.05 -0.24 -0.13 0.00 0.01 0.00 0.00 54.13 53.82 1um1 s LEU 14 Cb -0.23 -2.32 0.07 0.00 0.01 0.00 0.00 46.19 43.71 1um1 s LEU 14 CO -0.01 0.00 0.34 -0.70 1.01 0.00 0.00 176.35 176.99 1um1 s GLU 15 N -3.57 2.86 -0.16 1.70 2.12 -1.26 -0.33 118.70 120.06 1um1 s GLU 15 Ca 0.32 -1.36 -0.42 0.00 0.36 0.00 0.00 54.97 53.87 1um1 s GLU 15 Cb -0.09 -4.00 -0.20 0.00 0.26 0.00 0.00 34.13 30.10 1um1 s GLU 15 CO 0.24 -0.98 1.24 -2.13 -0.54 0.00 0.00 175.26 173.08 1um1 n ARG 16 N 5.10 0.00 -2.00 4.30 0.63 -1.06 -4.83 116.66 118.80 1um1 n ARG 16 Ca -0.12 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.71 1um1 n ARG 16 Cb 0.44 -1.49 0.04 0.00 0.45 0.00 0.00 32.46 31.89 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 2.30 1.84 0.06 5.14 0.00 0.50 -4.88 105.19 110.14 1um1 n GLY 17 Ca 0.23 -2.17 0.11 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.69 0.11 -0.02 1.61 -0.04 -1.26 -3.04 135.00 130.67 1um1 n PRO 18 Ca 0.09 0.22 0.01 0.00 -0.04 0.00 0.00 63.50 63.77 1um1 n PRO 18 Cb 0.31 -1.66 -0.06 0.00 -0.04 0.00 0.00 33.50 32.05 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 -1.85 3.11 0.00 3.54 7.64 -1.26 -5.11 113.62 119.69 1um1 n SER 19 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1um1 n SER 19 Cb 0.29 1.10 0.00 0.00 -1.01 0.00 0.00 64.21 64.59 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 2.23 0.32 0.23 0.23 0.00 -1.17 -4.84 105.19 102.19 1um1 n GLY 20 Ca -0.06 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 0.00 -3.80 0.99 4.32 -1.26 0.19 117.00 117.43 1um1 n LEU 21 Ca 0.00 -0.47 -0.35 0.00 -0.02 0.00 0.00 56.01 55.17 1um1 n LEU 21 Cb 0.00 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 41.83 1um1 n LEU 21 CO 0.00 0.15 -0.11 0.61 -1.22 0.00 0.00 177.39 176.82 1um1 n GLY 22 N 0.00 -0.89 2.63 -0.72 0.00 -1.26 -2.52 105.19 102.43 1um1 n GLY 22 Ca 0.00 0.40 -0.29 0.00 0.00 0.00 0.00 46.02 46.13 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 -6.39 0.42 -0.71 1.61 0.00 -1.26 -1.88 119.30 111.09 1um1 s MET 23 Ca 0.44 -0.72 -0.23 0.00 0.00 0.00 0.00 55.69 55.18 1um1 s MET 23 Cb -0.18 -1.57 -0.18 0.00 0.00 0.00 0.00 34.83 32.91 1um1 s MET 23 CO 0.89 -0.97 1.89 0.41 0.00 0.00 0.00 175.02 177.24 1um1 n GLY 24 N 5.08 2.31 3.73 2.11 0.00 0.19 -4.90 105.19 113.71 1um1 n GLY 24 Ca -0.05 -1.22 -0.41 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 1.40 4.49 0.13 0.99 1.43 -1.26 0.89 118.68 126.76 1um1 s LEU 25 Ca 0.59 1.98 0.06 0.00 -1.03 0.00 0.00 54.13 55.73 1um1 s LEU 25 Cb 0.14 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 1um1 s LEU 25 CO 0.14 -0.17 -0.14 -0.51 0.23 0.00 0.00 176.35 175.91 1um1 s ILE 26 N -0.13 1.35 -0.20 -0.59 2.07 -0.11 -4.90 121.20 118.68 1um1 s ILE 26 Ca 0.49 -1.80 -0.29 0.00 -1.41 0.00 0.00 60.65 57.63 1um1 s ILE 26 Cb -0.27 -1.61 -0.02 0.00 0.13 0.00 0.00 42.46 40.68 1um1 s ILE 26 CO 0.33 -0.47 1.45 -0.62 -1.91 0.00 0.00 174.94 173.72 1um1 s ASP 27 N -2.61 6.64 0.43 4.50 -1.08 -1.26 -1.74 116.67 121.54 1um1 s ASP 27 Ca 0.11 1.62 0.33 0.00 -0.52 0.00 0.00 52.55 54.09 1um1 s ASP 27 Cb -0.04 -2.54 1.44 0.00 -1.46 0.00 0.00 42.92 40.33 1um1 s ASP 27 CO 0.03 -1.04 1.47 0.61 0.52 0.00 0.00 175.17 176.76 1um1 n GLY 28 N 4.23 -0.81 0.11 2.66 0.00 0.45 0.19 105.19 112.02 1um1 n GLY 28 Ca 0.16 0.71 -0.11 0.00 0.00 0.00 0.00 46.02 46.78 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 0.27 -0.98 1.61 2.86 -1.05 -1.99 114.93 115.65 1um1 h MET 29 Ca 0.84 -0.06 0.12 0.00 -2.06 0.00 0.00 59.70 58.54 1um1 h MET 29 Cb 2.82 -0.04 -0.08 0.00 0.06 0.00 0.00 31.60 34.36 1um1 h MET 29 CO -0.37 0.38 0.61 0.45 1.06 0.00 0.00 176.91 179.04 1um1 h HIS 30 N 0.11 1.10 -4.05 -0.22 3.86 0.17 -3.34 115.15 112.78 1um1 h HIS 30 Ca 0.06 0.03 -0.44 0.00 -1.16 0.00 0.00 60.37 58.86 1um1 h HIS 30 Cb 0.22 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 1um1 h HIS 30 CO -0.00 0.43 0.34 0.95 0.86 0.00 0.00 177.93 180.51 1um1 s THR 31 N -5.97 4.37 0.49 2.45 -4.23 -0.94 -4.89 115.64 106.93 1um1 s THR 31 Ca -0.12 1.50 0.41 0.00 -1.18 0.00 0.00 61.69 62.30 1um1 s THR 31 Cb 0.22 -3.62 0.62 0.00 1.34 0.00 0.00 72.50 71.06 1um1 s THR 31 CO 0.80 -0.30 1.50 1.57 -0.54 0.00 0.00 174.62 177.66 1um1 n HIS 32 N -0.59 0.29 -0.63 3.99 -0.00 -0.97 0.16 115.22 117.46 1um1 n HIS 32 Ca 0.07 0.29 0.50 0.00 0.46 0.00 0.00 57.72 59.04 1um1 n HIS 32 Cb 0.54 -0.75 0.80 0.00 -0.12 0.00 0.00 29.99 30.46 1um1 n HIS 32 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1um1 h LEU 33 N 0.00 0.00 1.72 0.27 5.85 -1.69 -3.42 115.31 118.03 1um1 h LEU 33 Ca 0.88 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 59.54 1um1 h LEU 33 Cb 3.25 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 44.27 1um1 h LEU 33 CO -0.20 0.00 -0.07 0.61 -0.34 0.00 0.00 178.44 178.44 1um1 n GLY 34 N -1.89 -0.20 3.57 3.75 0.00 0.41 -4.88 105.19 105.94 1um1 n GLY 34 Ca 0.41 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.82 2.93 0.28 4.61 0.00 -1.16 -4.77 121.76 121.83 1um1 s ALA 35 Ca 0.00 -1.34 -0.29 0.00 0.00 0.00 0.00 51.96 50.32 1um1 s ALA 35 Cb 0.00 -0.81 -0.09 0.00 0.00 0.00 0.00 23.12 22.21 1um1 s ALA 35 CO 0.00 0.57 1.08 -1.25 0.00 0.00 0.00 175.76 176.16 1um1 s PRO 36 N -2.46 4.66 0.00 0.00 0.04 -1.26 -0.59 135.00 135.39 1um1 s PRO 36 Ca 0.22 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1um1 s PRO 36 Cb -0.10 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.25 1um1 s PRO 36 CO 0.14 0.24 0.00 0.41 0.04 0.00 0.00 177.00 177.83 1um1 n GLY 37 N 1.21 3.15 3.92 0.56 0.00 -1.26 -4.74 105.19 108.03 1um1 n GLY 37 Ca -0.01 -1.94 -0.30 0.00 0.00 0.00 0.00 46.02 43.76 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 4.35 -0.07 0.99 2.01 -1.26 0.17 118.68 124.87 1um1 s LEU 38 Ca 0.00 0.25 -0.16 0.00 0.01 0.00 0.00 54.13 54.23 1um1 s LEU 38 Cb 0.00 -2.94 0.03 0.00 0.01 0.00 0.00 46.19 43.29 1um1 s LEU 38 CO 0.00 0.15 0.37 -0.31 1.01 0.00 0.00 176.35 177.57 1um1 s TYR 39 N -1.55 -0.32 0.41 0.29 1.51 -0.71 -2.39 117.35 114.59 1um1 s TYR 39 Ca 0.35 0.65 -0.26 0.00 -1.01 0.00 0.00 57.07 56.79 1um1 s TYR 39 Cb -0.13 0.14 -0.09 0.00 -0.11 0.00 0.00 41.96 41.78 1um1 s TYR 39 CO 0.28 -0.33 1.38 0.42 -1.11 0.00 0.00 175.55 176.18 1um1 s ILE 40 N -0.70 2.33 0.00 2.71 1.01 -0.40 -0.94 121.20 125.22 1um1 s ILE 40 Ca -0.08 0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.88 1um1 s ILE 40 Cb -0.04 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.25 1um1 s ILE 40 CO 0.03 0.05 0.00 1.67 0.00 0.00 0.00 174.94 176.69 1um1 n GLN 41 N 0.09 0.00 -3.88 2.79 7.27 0.26 0.42 117.38 124.33 1um1 n GLN 41 Ca 0.04 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 57.01 1um1 n GLN 41 Cb 0.42 -0.84 -0.08 0.00 2.41 0.00 0.00 30.24 32.15 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 -1.80 0.14 -0.25 1.69 -4.23 -1.11 -4.78 115.64 105.30 1um1 s THR 42 Ca 0.00 -1.14 0.02 0.00 -1.18 0.00 0.00 61.69 59.39 1um1 s THR 42 Cb 0.00 -1.20 0.05 0.00 1.34 0.00 0.00 72.50 72.70 1um1 s THR 42 CO 0.00 -0.63 -0.11 -0.76 -0.54 0.00 0.00 174.62 172.58 1um1 s LEU 43 N -2.59 3.30 0.40 4.79 2.01 -1.26 0.52 118.68 125.86 1um1 s LEU 43 Ca 0.01 -1.26 -0.27 0.00 0.01 0.00 0.00 54.13 52.63 1um1 s LEU 43 Cb 0.03 -1.56 -0.10 0.00 0.01 0.00 0.00 46.19 44.57 1um1 s LEU 43 CO -0.08 -0.17 1.42 -0.22 1.01 0.00 0.00 176.35 178.31 1um1 s LEU 44 N 1.15 4.24 0.37 1.79 0.20 -0.79 -4.93 118.68 120.71 1um1 s LEU 44 Ca -0.06 2.91 -0.25 0.00 0.69 0.00 0.00 54.13 57.41 1um1 s LEU 44 Cb -0.19 -3.80 -0.09 0.00 -0.43 0.00 0.00 46.19 41.68 1um1 s LEU 44 CO -0.06 -0.95 1.06 -2.16 -0.29 0.00 0.00 176.35 173.95 1um1 s PRO 45 N -2.22 4.28 -0.56 0.98 0.04 -1.26 -2.95 135.00 133.30 1um1 s PRO 45 Ca 0.56 1.58 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1um1 s PRO 45 Cb -0.44 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.41 1um1 s PRO 45 CO 0.58 -0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.97 1um1 n GLY 46 N 0.56 0.64 3.98 0.56 0.00 -1.26 -4.98 105.19 104.69 1um1 n GLY 46 Ca 0.04 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.30 5.07 -0.05 1.61 1.04 -1.15 -4.97 113.70 112.94 1um1 s SER 47 Ca 0.00 -0.16 -0.08 0.00 0.48 0.00 0.00 55.95 56.20 1um1 s SER 47 Cb 0.00 -0.60 -0.04 0.00 0.10 0.00 0.00 66.02 65.48 1um1 s SER 47 CO 0.00 -1.30 0.37 1.55 0.98 0.00 0.00 173.24 174.83 1um1 h PRO 48 N -0.04 -0.27 -0.86 4.02 0.13 -1.87 -1.61 132.00 131.50 1um1 h PRO 48 Ca -0.40 0.02 0.22 0.00 -0.87 0.00 0.00 66.00 64.97 1um1 h PRO 48 Cb 1.29 0.06 -0.15 0.00 0.13 0.00 0.00 31.00 32.33 1um1 h PRO 48 CO 0.48 -0.18 0.12 0.00 -0.23 0.00 0.00 178.00 178.20 1um1 h ALA 49 N -1.27 1.11 0.50 -0.56 0.00 -1.74 0.68 119.26 117.98 1um1 h ALA 49 Ca -0.03 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1um1 h ALA 49 Cb 0.21 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1um1 h ALA 49 CO 0.05 -0.48 -0.24 0.00 0.00 0.00 0.00 179.25 178.58 1um1 h ALA 50 N 1.80 -1.13 -1.32 0.00 0.00 -1.72 -2.41 119.26 114.48 1um1 h ALA 50 Ca 0.52 -0.15 0.40 0.00 0.00 0.00 0.00 54.91 55.68 1um1 h ALA 50 Cb 1.03 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 18.98 1um1 h ALA 50 CO -0.72 -1.08 0.89 0.00 0.00 0.00 0.00 179.25 178.34 1um1 h ALA 51 N -1.66 2.85 -0.50 0.00 0.00 -0.14 0.44 119.26 120.24 1um1 h ALA 51 Ca -0.07 0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1um1 h ALA 51 Cb 0.52 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.33 1um1 h ALA 51 CO 0.11 -1.36 -0.31 0.22 0.00 0.00 0.00 179.25 177.91 1um1 h ASP 52 N 0.13 -1.06 0.00 0.00 3.58 0.83 -3.45 116.42 116.45 1um1 h ASP 52 Ca 0.73 0.20 0.00 0.00 0.42 0.00 0.00 57.03 58.39 1um1 h ASP 52 Cb 2.42 0.52 0.00 0.00 1.72 0.00 0.00 39.33 43.99 1um1 h ASP 52 CO -0.25 -0.30 0.00 0.61 -2.88 0.00 0.00 179.24 176.42 1um1 n GLY 53 N -1.42 2.29 0.33 -0.78 0.00 0.15 -4.72 105.19 101.04 1um1 n GLY 53 Ca 0.03 -0.48 0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 0.28 -5.93 1.61 1.12 -1.86 -3.37 114.38 106.24 1um1 h ARG 54 Ca 0.00 -0.02 -0.58 0.00 -1.11 0.00 0.00 59.98 58.27 1um1 h ARG 54 Cb 0.00 -0.06 -0.00 0.00 -0.01 0.00 0.00 29.97 29.90 1um1 h ARG 54 CO 0.00 0.18 1.51 1.28 -3.11 0.00 0.00 179.97 179.83 1um1 n LEU 55 N -5.10 3.00 -4.88 3.80 4.77 -1.26 -4.94 117.00 112.39 1um1 n LEU 55 Ca 0.30 0.12 -0.21 0.00 -0.03 0.00 0.00 56.01 56.19 1um1 n LEU 55 Cb 0.93 -1.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.46 1um1 n LEU 55 CO 0.08 -0.82 -0.07 -0.44 -1.33 0.00 0.00 177.39 174.82 1um1 s SER 56 N 8.78 5.56 -0.05 -1.43 0.01 -1.26 -4.93 113.70 120.38 1um1 s SER 56 Ca 1.02 -0.34 -0.30 0.00 1.31 0.00 0.00 55.95 57.64 1um1 s SER 56 Cb -0.37 -1.18 -0.03 0.00 0.21 0.00 0.00 66.02 64.65 1um1 s SER 56 CO 0.35 -0.28 1.09 -0.76 0.41 0.00 0.00 173.24 174.05 1um1 s LEU 57 N -4.00 4.29 0.00 2.44 1.43 -1.26 -2.87 118.68 118.70 1um1 s LEU 57 Ca 0.40 1.70 0.00 0.00 -1.03 0.00 0.00 54.13 55.19 1um1 s LEU 57 Cb -0.07 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.59 1um1 s LEU 57 CO 0.27 -0.47 0.00 0.61 0.23 0.00 0.00 176.35 177.00 1um1 n GLY 58 N 3.17 1.71 3.15 -3.19 0.00 0.17 -4.64 105.19 105.55 1um1 n GLY 58 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.06 -3.92 1.61 8.00 -1.14 -4.41 116.55 113.63 1um1 n ASP 59 Ca 0.00 0.01 -0.18 0.00 0.71 0.00 0.00 54.79 55.34 1um1 n ASP 59 Cb 0.00 -0.78 -0.15 0.00 -0.02 0.00 0.00 41.12 40.16 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 -2.72 0.57 0.12 -1.24 3.52 -1.26 -1.27 118.95 116.67 1um1 s ARG 60 Ca 0.46 -0.13 -0.21 0.00 -0.13 0.00 0.00 55.73 55.72 1um1 s ARG 60 Cb -0.05 -0.59 -0.07 0.00 -1.56 0.00 0.00 34.95 32.68 1um1 s ARG 60 CO 0.68 0.02 0.65 0.42 -0.81 0.00 0.00 175.30 176.26 1um1 s ILE 61 N 0.39 4.60 -0.01 4.11 -1.09 -1.01 -2.89 121.20 125.31 1um1 s ILE 61 Ca -0.05 1.38 0.00 0.00 -2.23 0.00 0.00 60.65 59.75 1um1 s ILE 61 Cb -0.08 -3.97 -0.00 0.00 -1.58 0.00 0.00 42.46 36.82 1um1 s ILE 61 CO -0.00 0.51 -0.01 0.18 -1.23 0.00 0.00 174.94 174.39 1um1 n LEU 62 N 1.58 2.77 -4.13 2.97 4.77 0.28 -4.68 117.00 120.56 1um1 n LEU 62 Ca -0.08 -0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.81 1um1 n LEU 62 Cb 0.50 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 1um1 n LEU 62 CO 0.43 0.47 -0.35 -1.61 -1.33 0.00 0.00 177.39 175.00 1um1 s GLU 63 N -2.01 0.77 -0.21 3.23 2.02 -1.25 -0.91 118.70 120.33 1um1 s GLU 63 Ca -0.01 -1.32 -0.04 0.00 0.02 0.00 0.00 54.97 53.62 1um1 s GLU 63 Cb 0.00 0.07 0.11 0.00 0.10 0.00 0.00 34.13 34.41 1um1 s GLU 63 CO 0.01 -0.12 0.36 0.08 0.02 0.00 0.00 175.26 175.61 1um1 s VAL 64 N -3.85 -0.56 -0.86 2.63 1.01 -1.12 -1.19 120.40 116.46 1um1 s VAL 64 Ca 0.13 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1um1 s VAL 64 Cb 0.07 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.73 1um1 s VAL 64 CO -0.05 -0.06 0.00 0.59 0.00 0.00 0.00 175.10 175.58 1um1 n ASN 65 N 5.36 -5.03 0.00 3.32 3.02 -1.05 -0.85 115.26 120.04 1um1 n ASN 65 Ca -0.05 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1um1 n ASN 65 Cb 0.50 -3.24 0.00 0.00 -0.61 0.00 0.00 39.78 36.43 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 -0.59 0.65 3.18 7.41 0.00 -1.26 -5.04 105.19 109.54 1um1 n GLY 66 Ca -0.08 -0.61 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.55 5.36 -0.49 1.61 0.15 -0.03 -5.03 113.70 112.71 1um1 s SER 67 Ca 0.00 -1.76 -0.43 0.00 0.70 0.00 0.00 55.95 54.45 1um1 s SER 67 Cb 0.00 -1.88 -0.19 0.00 -1.71 0.00 0.00 66.02 62.25 1um1 s SER 67 CO 0.00 -0.52 1.99 -1.20 1.20 0.00 0.00 173.24 174.71 1um1 n SER 68 N 4.72 0.80 -3.35 5.45 7.64 -1.26 -2.80 113.62 124.83 1um1 n SER 68 Ca -0.07 0.74 -0.32 0.00 1.01 0.00 0.00 58.87 60.23 1um1 n SER 68 Cb 0.42 -0.87 -0.03 0.00 -1.01 0.00 0.00 64.21 62.72 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 6.73 5.24 -4.50 -3.43 0.00 -0.09 -4.95 117.00 116.00 1um1 n LEU 69 Ca 0.50 -5.51 -0.42 0.00 0.00 0.00 0.00 56.01 50.58 1um1 n LEU 69 Cb -0.04 -0.82 -0.03 0.00 0.00 0.00 0.00 43.42 42.53 1um1 n LEU 69 CO 0.86 2.14 0.98 -0.76 0.00 0.00 0.00 177.39 180.60 1um1 s LEU 70 N -3.36 3.86 -0.94 -1.96 1.43 -1.25 -4.39 118.68 112.07 1um1 s LEU 70 Ca 0.42 -0.85 -0.15 0.00 -1.03 0.00 0.00 54.13 52.53 1um1 s LEU 70 Cb 0.20 -2.48 0.02 0.00 0.03 0.00 0.00 46.19 43.96 1um1 s LEU 70 CO -0.08 -1.59 0.28 0.61 0.23 0.00 0.00 176.35 175.80 1um1 n GLY 71 N 5.45 -0.37 3.86 -3.19 0.00 -1.26 -4.87 105.19 104.81 1um1 n GLY 71 Ca 0.03 0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1um1 n GLY 71 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1um1 s LEU 72 N -6.45 3.79 -0.15 0.99 2.96 -1.26 -4.77 118.68 113.79 1um1 s LEU 72 Ca 0.20 1.29 -0.26 0.00 -0.22 0.00 0.00 54.13 55.14 1um1 s LEU 72 Cb -0.11 -4.18 -0.12 0.00 0.50 0.00 0.00 46.19 42.28 1um1 s LEU 72 CO 0.68 -0.44 0.80 0.61 -1.32 0.00 0.00 176.35 176.68 1um1 n GLY 73 N -1.29 -0.03 0.29 7.98 0.00 -1.26 -4.06 105.19 106.82 1um1 n GLY 73 Ca 0.04 0.53 0.10 0.00 0.00 0.00 0.00 46.02 46.68 1um1 n GLY 73 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1um1 h TYR 74 N 2.38 0.33 0.00 1.61 3.20 -1.98 2.04 116.97 124.56 1um1 h TYR 74 Ca -0.28 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.60 1um1 h TYR 74 Cb 0.84 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.09 1um1 h TYR 74 CO 0.36 -0.14 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.53 1um1 h LEU 75 N 0.25 0.00 0.00 2.82 3.38 -1.98 0.87 115.31 120.65 1um1 h LEU 75 Ca 0.49 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.41 1um1 h LEU 75 Cb 0.92 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1um1 h LEU 75 CO -0.59 0.14 -0.45 0.03 0.09 0.00 0.00 178.44 177.66 1um1 h ARG 76 N 0.00 0.00 -0.85 1.13 2.47 0.21 -2.78 114.38 114.57 1um1 h ARG 76 Ca -0.00 0.00 0.09 0.00 -1.26 0.00 0.00 59.98 58.81 1um1 h ARG 76 Cb 0.52 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.77 1um1 h ARG 76 CO 0.02 0.41 0.50 0.00 0.56 0.00 0.00 179.97 181.45 1um1 h ALA 77 N -0.71 1.20 -0.27 0.04 0.00 0.25 0.98 119.26 120.76 1um1 h ALA 77 Ca -0.08 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1um1 h ALA 77 Cb 0.64 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1um1 h ALA 77 CO -0.05 0.14 0.12 -0.24 0.00 0.00 0.00 179.25 179.22 1um1 h VAL 78 N 0.84 1.16 0.04 0.00 3.04 -0.98 -2.71 116.25 117.65 1um1 h VAL 78 Ca 0.40 -0.48 0.03 0.00 -1.01 0.00 0.00 66.70 65.63 1um1 h VAL 78 Cb 0.34 0.99 -0.04 0.00 -2.01 0.00 0.00 31.29 30.57 1um1 h VAL 78 CO -0.23 0.17 -0.27 -0.78 -1.01 0.00 0.00 177.57 175.44 1um1 h ASP 79 N 0.29 -0.80 -0.68 3.17 3.58 -0.89 1.38 116.42 122.47 1um1 h ASP 79 Ca 0.09 0.10 0.06 0.00 0.42 0.00 0.00 57.03 57.70 1um1 h ASP 79 Cb 0.16 0.32 -0.09 0.00 1.72 0.00 0.00 39.33 41.43 1um1 h ASP 79 CO -0.01 -0.35 -0.45 -0.07 -2.88 0.00 0.00 179.24 175.48 1um1 h LEU 80 N -0.44 -1.63 0.38 2.28 3.38 -0.70 1.86 115.31 120.44 1um1 h LEU 80 Ca 0.05 0.24 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 1um1 h LEU 80 Cb 0.50 0.71 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1um1 h LEU 80 CO -0.21 -0.20 -0.18 0.40 0.09 0.00 0.00 178.44 178.34 1um1 h ILE 81 N -0.06 0.64 -0.74 1.22 5.03 -1.15 -1.71 117.51 120.73 1um1 h ILE 81 Ca 0.11 -0.13 0.13 0.00 -0.12 0.00 0.00 64.86 64.85 1um1 h ILE 81 Cb 0.34 0.70 -0.13 0.00 -3.03 0.00 0.00 36.82 34.70 1um1 h ILE 81 CO -0.67 0.03 -0.32 -0.09 -0.68 0.00 0.00 178.15 176.41 1um1 h ARG 82 N -0.58 -0.08 -1.26 2.37 2.43 0.34 1.11 114.38 118.71 1um1 h ARG 82 Ca -0.05 0.01 -0.36 0.00 -0.81 0.00 0.00 59.98 58.77 1um1 h ARG 82 Cb 0.43 0.02 -0.17 0.00 -0.42 0.00 0.00 29.97 29.83 1um1 h ARG 82 CO 0.08 -0.06 0.46 0.72 -1.51 0.00 0.00 179.97 179.67 1um1 n HIS 83 N -5.46 1.83 0.00 2.20 8.25 0.62 -4.85 115.22 117.80 1um1 n HIS 83 Ca 0.07 -1.83 0.00 0.00 -0.26 0.00 0.00 57.72 55.70 1um1 n HIS 83 Cb 0.38 -0.90 0.00 0.00 1.12 0.00 0.00 29.99 30.59 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 -3.02 3.67 -1.41 0.00 0.38 -4.92 105.19 99.79 1um1 n GLY 84 Ca 0.36 -0.55 -0.01 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.34 0.44 -0.02 0.00 -1.26 -4.99 107.32 101.14 1um1 s GLY 85 Ca 0.00 0.52 0.32 0.00 0.00 0.00 0.00 44.72 45.56 1um1 s GLY 85 CO 0.00 0.09 1.58 0.50 0.00 0.00 0.00 173.10 175.28 1um1 h LYS 86 N 2.00 0.01 -4.87 2.90 1.57 -1.94 -3.24 116.57 113.01 1um1 h LYS 86 Ca -0.27 -0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.83 1um1 h LYS 86 Cb 1.21 -0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.20 1um1 h LYS 86 CO 0.27 0.01 -0.73 0.15 -0.57 0.00 0.00 179.45 178.58 1um1 s LYS 87 N -5.27 2.73 -0.15 3.15 1.02 -1.26 -2.55 119.74 117.41 1um1 s LYS 87 Ca -0.07 -1.05 -0.02 0.00 0.02 0.00 0.00 55.97 54.84 1um1 s LYS 87 Cb 0.31 -3.05 -0.02 0.00 -0.52 0.00 0.00 37.83 34.55 1um1 s LYS 87 CO 0.83 -0.46 -0.08 -1.64 -0.92 0.00 0.00 175.35 173.08 1um1 s MET 88 N 1.31 3.53 0.03 1.68 -1.94 0.56 -4.96 119.30 119.51 1um1 s MET 88 Ca -0.01 -0.60 0.07 0.00 -1.71 0.00 0.00 55.69 53.44 1um1 s MET 88 Cb -0.18 -2.80 -0.03 0.00 2.01 0.00 0.00 34.83 33.83 1um1 s MET 88 CO -0.03 0.20 -0.18 0.50 -0.01 0.00 0.00 175.02 175.50 1um1 s ARG 89 N 0.43 2.09 -0.09 2.03 3.00 -1.26 -0.01 118.95 125.14 1um1 s ARG 89 Ca -0.06 -0.97 -0.04 0.00 -1.00 0.00 0.00 55.73 53.66 1um1 s ARG 89 Cb -0.15 -2.19 0.05 0.00 0.00 0.00 0.00 34.95 32.66 1um1 s ARG 89 CO 0.04 0.54 0.19 -0.06 0.00 0.00 0.00 175.30 176.01 1um1 s PHE 90 N -0.90 -0.24 -0.88 5.12 0.08 -0.01 -2.53 117.98 118.61 1um1 s PHE 90 Ca 0.14 0.66 -0.20 0.00 0.12 0.00 0.00 56.93 57.66 1um1 s PHE 90 Cb -0.10 -0.11 0.11 0.00 -0.57 0.00 0.00 43.02 42.34 1um1 s PHE 90 CO 0.05 -0.25 1.12 -1.17 -0.10 0.00 0.00 175.22 174.87 1um1 s LEU 91 N 1.78 4.76 0.34 -0.37 2.96 -0.33 -1.01 118.68 126.80 1um1 s LEU 91 Ca -0.03 -1.76 -0.10 0.00 -0.22 0.00 0.00 54.13 52.02 1um1 s LEU 91 Cb -0.12 -2.42 -0.07 0.00 0.50 0.00 0.00 46.19 44.09 1um1 s LEU 91 CO -0.07 -1.19 0.68 -0.69 -1.32 0.00 0.00 176.35 173.76 1um1 s VAL 92 N 3.21 4.85 -0.06 1.68 1.01 -0.55 -0.56 120.40 129.97 1um1 s VAL 92 Ca 0.32 0.52 0.05 0.00 0.00 0.00 0.00 61.98 62.86 1um1 s VAL 92 Cb -0.07 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.61 1um1 s VAL 92 CO -0.05 -0.35 -0.21 0.00 0.00 0.00 0.00 175.10 174.49 1um1 s ALA 93 N -2.16 1.86 -0.70 5.51 0.00 -1.14 -1.04 121.76 124.09 1um1 s ALA 93 Ca 0.49 -0.86 -0.26 0.00 0.00 0.00 0.00 51.96 51.34 1um1 s ALA 93 Cb -0.10 -0.62 -0.05 0.00 0.00 0.00 0.00 23.12 22.34 1um1 s ALA 93 CO 0.27 0.32 2.05 0.15 0.00 0.00 0.00 175.76 178.55 1um1 s LYS 94 N 0.04 2.38 0.59 0.00 -0.14 -0.88 -4.36 119.74 117.37 1um1 s LYS 94 Ca -0.07 0.47 -0.05 0.00 -1.36 0.00 0.00 55.97 54.96 1um1 s LYS 94 Cb -0.14 -4.67 0.13 0.00 -1.68 0.00 0.00 37.83 31.47 1um1 s LYS 94 CO 0.04 -3.23 0.80 0.45 -0.76 0.00 0.00 175.35 172.65 1um1 n SER 95 N 14.41 0.60 -4.93 2.83 2.88 -1.26 -4.69 113.62 123.46 1um1 n SER 95 Ca 0.32 -1.62 -0.26 0.00 -1.33 0.00 0.00 58.87 55.99 1um1 n SER 95 Cb 0.50 -0.56 -0.03 0.00 -0.75 0.00 0.00 64.21 63.36 1um1 n SER 95 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1um1 s ASP 96 N -4.11 6.23 0.26 -3.46 1.47 -1.26 -4.99 116.67 110.81 1um1 s ASP 96 Ca 0.50 0.12 -0.06 0.00 1.18 0.00 0.00 52.55 54.29 1um1 s ASP 96 Cb -0.02 -1.84 0.49 0.00 -0.34 0.00 0.00 42.92 41.21 1um1 s ASP 96 CO 0.34 0.04 1.61 -0.37 0.68 0.00 0.00 175.17 177.47 1um1 h VAL 97 N 1.63 0.23 -0.79 2.11 -1.51 -1.98 -0.08 116.25 115.85 1um1 h VAL 97 Ca -0.49 -0.02 0.07 0.00 -1.23 0.00 0.00 66.70 65.03 1um1 h VAL 97 Cb 1.20 0.16 -0.10 0.00 -2.13 0.00 0.00 31.29 30.42 1um1 h VAL 97 CO 0.67 0.01 -0.48 -0.33 -1.23 0.00 0.00 177.57 176.21 1um1 h GLU 98 N 0.06 -0.01 -0.98 5.19 5.08 -1.98 0.72 114.58 122.66 1um1 h GLU 98 Ca 0.45 0.00 0.25 0.00 -1.00 0.00 0.00 59.36 59.06 1um1 h GLU 98 Cb 0.81 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.88 1um1 h GLU 98 CO -0.77 -0.01 -0.05 1.15 -1.00 0.00 0.00 179.01 178.33 1um1 h THR 99 N -0.01 0.02 -0.29 1.13 2.02 -1.39 1.10 112.91 115.49 1um1 h THR 99 Ca 0.13 -0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.24 1um1 h THR 99 Cb 0.34 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1um1 h THR 99 CO -0.75 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 175.06 1um1 h ALA 100 N 1.98 0.40 -0.40 6.16 0.00 0.14 -2.06 119.26 125.49 1um1 h ALA 100 Ca 0.56 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 55.25 1um1 h ALA 100 Cb 1.08 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.68 1um1 h ALA 100 CO -0.95 0.22 -0.44 0.87 0.00 0.00 0.00 179.25 178.96 1um1 h LYS 101 N 0.32 -0.33 -0.64 0.00 1.57 0.67 1.42 116.57 119.58 1um1 h LYS 101 Ca 0.07 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.93 1um1 h LYS 101 Cb 0.56 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.91 1um1 h LYS 101 CO 0.03 -0.22 0.42 0.87 -0.57 0.00 0.00 179.45 179.98 1um1 h LYS 102 N -0.34 0.63 -0.52 3.15 1.57 -0.86 0.09 116.57 120.29 1um1 h LYS 102 Ca 0.13 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 1um1 h LYS 102 Cb 0.59 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1um1 h LYS 102 CO -0.57 0.42 -0.09 0.82 -0.57 0.00 0.00 179.45 179.45 1um1 h ILE 103 N 0.65 1.26 -1.23 1.86 1.08 0.85 -2.59 117.51 119.39 1um1 h ILE 103 Ca 0.27 -1.22 0.10 0.00 -0.39 0.00 0.00 64.86 63.62 1um1 h ILE 103 Cb 0.24 0.96 -0.03 0.00 -3.07 0.00 0.00 36.82 34.93 1um1 h ILE 103 CO -0.08 0.43 -0.13 0.00 -0.69 0.00 0.00 178.15 177.68 1um1 n HIS 104 N -4.15 -2.18 0.06 1.37 1.44 0.43 -4.81 115.22 107.38 1um1 n HIS 104 Ca 0.02 0.46 0.00 0.00 -2.01 0.00 0.00 57.72 56.19 1um1 n HIS 104 Cb 0.38 -0.79 0.00 0.00 0.12 0.00 0.00 29.99 29.70 1um1 n HIS 104 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1um1 n SER 105 N -4.02 -0.58 0.00 4.39 7.64 -1.26 -4.91 113.62 114.88 1um1 n SER 105 Ca 0.00 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.12 1um1 n SER 105 Cb 0.17 0.70 0.00 0.00 -1.01 0.00 0.00 64.21 64.07 1um1 n SER 105 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1um1 n GLY 106 N 0.49 5.24 3.78 0.23 0.00 -1.26 -5.10 105.19 108.56 1um1 n GLY 106 Ca 0.00 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 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 2.29 0.59 -0.16 1.61 0.04 -1.26 -5.10 135.00 133.01 1um1 s PRO 107 Ca 0.00 0.08 -0.28 0.00 0.04 0.00 0.00 61.00 60.84 1um1 s PRO 107 Cb 0.00 -1.79 0.08 0.00 0.04 0.00 0.00 34.50 32.82 1um1 s PRO 107 CO 0.00 -2.53 0.74 0.45 0.04 0.00 0.00 177.00 175.70 1um1 s SER 108 N -4.18 -0.66 0.21 6.66 0.15 -1.26 -5.13 113.70 109.48 1um1 s SER 108 Ca 0.67 1.01 -0.32 0.00 0.70 0.00 0.00 55.95 58.01 1um1 s SER 108 Cb -0.12 0.93 -0.13 0.00 -1.71 0.00 0.00 66.02 65.00 1um1 s SER 108 CO 0.54 -0.41 1.58 -0.24 1.20 0.00 0.00 173.24 175.91 1um1 n SER 109 N 1.72 3.36 0.00 5.45 2.88 -1.26 -5.30 113.62 120.47 1um1 n SER 109 Ca -0.16 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 1um1 n SER 109 Cb 0.56 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 1um1 n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42