#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhu s SER 1 N 0.00 -0.82 -0.43 1.61 0.15 -1.26 -5.03 113.70 107.91 1uhu s SER 1 Ca 0.00 -0.74 -0.29 0.00 0.70 0.00 0.00 55.95 55.62 1uhu s SER 1 Cb 0.00 1.06 0.04 0.00 -1.71 0.00 0.00 66.02 65.42 1uhu s SER 1 CO 0.00 -0.06 0.63 -1.54 1.20 0.00 0.00 173.24 173.47 1uhu n SER 2 N 3.28 -6.54 -1.29 5.45 3.41 -1.26 -4.71 113.62 111.97 1uhu n SER 2 Ca 0.12 0.15 0.16 0.00 -0.26 0.00 0.00 58.87 59.04 1uhu n SER 2 Cb 0.61 -3.21 -0.07 0.00 -0.26 0.00 0.00 64.21 61.28 1uhu n SER 2 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uhu n GLY 3 N -0.20 -2.78 3.15 5.00 0.00 -1.26 -5.00 105.19 104.10 1uhu n GLY 3 Ca -0.00 -1.13 0.05 0.00 0.00 0.00 0.00 46.02 44.94 1uhu n GLY 3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uhu s SER 4 N -6.98 -0.72 0.33 1.61 0.15 -1.26 -5.01 113.70 101.82 1uhu s SER 4 Ca 0.00 0.29 0.24 0.00 0.70 0.00 0.00 55.95 57.19 1uhu s SER 4 Cb 0.00 1.54 0.55 0.00 -1.71 0.00 0.00 66.02 66.40 1uhu s SER 4 CO 0.00 -0.13 1.68 0.77 1.20 0.00 0.00 173.24 176.75 1uhu h SER 5 N 7.80 0.00 -4.16 5.45 4.64 -1.99 -3.45 113.55 121.83 1uhu h SER 5 Ca -0.12 -0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.70 1uhu h SER 5 Cb 1.17 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.33 1uhu h SER 5 CO -0.02 0.00 0.39 -0.83 -0.87 0.00 0.00 176.83 175.50 1uhu s GLY 6 N -3.91 2.26 0.14 -0.77 0.00 -1.26 -5.07 107.32 98.70 1uhu s GLY 6 Ca 0.09 0.52 0.06 0.00 0.00 0.00 0.00 44.72 45.38 1uhu s GLY 6 CO 0.64 0.85 -0.13 -0.51 0.00 0.00 0.00 173.10 173.94 1uhu s THR 7 N -2.27 1.36 -0.08 0.90 -4.23 -1.26 -5.07 115.64 104.99 1uhu s THR 7 Ca 0.66 -1.86 -0.27 0.00 -1.18 0.00 0.00 61.69 59.04 1uhu s THR 7 Cb -0.18 -1.67 -0.23 0.00 1.34 0.00 0.00 72.50 71.76 1uhu s THR 7 CO 0.34 -0.51 1.02 1.55 -0.54 0.00 0.00 174.62 176.47 1uhu h PRO 8 N 3.22 0.01 -0.49 3.99 0.13 -1.84 0.87 132.00 137.89 1uhu h PRO 8 Ca -0.39 -0.01 0.08 0.00 -0.87 0.00 0.00 66.00 64.81 1uhu h PRO 8 Cb 1.20 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.27 1uhu h PRO 8 CO 0.55 0.76 0.11 1.25 -0.23 0.00 0.00 178.00 180.44 1uhu h LEU 9 N -0.73 0.04 -0.67 1.56 6.46 -1.73 0.97 115.31 121.21 1uhu h LEU 9 Ca -0.00 0.08 -0.14 0.00 -0.12 0.00 0.00 57.88 57.70 1uhu h LEU 9 Cb 0.76 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.79 1uhu h LEU 9 CO 0.00 0.05 -0.44 -1.28 -0.62 0.00 0.00 178.44 176.15 1uhu h SER 10 N 0.26 0.55 -0.48 1.25 0.87 -1.82 0.46 113.55 114.64 1uhu h SER 10 Ca 0.24 -0.26 -0.05 0.00 -1.23 0.00 0.00 61.79 60.50 1uhu h SER 10 Cb 0.31 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 1uhu h SER 10 CO -0.30 0.92 0.12 -0.07 -0.53 0.00 0.00 176.83 176.97 1uhu h LEU 11 N 0.42 0.72 0.14 2.23 3.38 0.90 0.35 115.31 123.45 1uhu h LEU 11 Ca 0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1uhu h LEU 11 Cb 0.94 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1uhu h LEU 11 CO 0.08 0.77 -0.07 0.71 0.09 0.00 0.00 178.44 180.02 1uhu h THR 12 N 0.65 1.03 -0.44 0.22 1.35 0.10 -2.87 112.91 112.95 1uhu h THR 12 Ca 0.15 -0.85 0.06 0.00 -0.55 0.00 0.00 66.41 65.22 1uhu h THR 12 Cb 0.32 1.54 -0.05 0.00 -1.73 0.00 0.00 68.15 68.23 1uhu h THR 12 CO 0.00 0.20 0.14 -0.07 -0.25 0.00 0.00 175.52 175.53 1uhu h LEU 13 N -0.60 0.12 -2.02 3.87 3.38 -0.86 0.48 115.31 119.67 1uhu h LEU 13 Ca -0.02 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1uhu h LEU 13 Cb 0.46 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1uhu h LEU 13 CO 0.03 0.10 0.36 0.44 0.09 0.00 0.00 178.44 179.46 1uhu h ASP 14 N 0.29 0.00 -0.75 -0.43 3.32 -0.29 0.19 116.42 118.76 1uhu h ASP 14 Ca 0.21 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.82 1uhu h ASP 14 Cb 0.22 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 39.35 1uhu h ASP 14 CO -0.23 0.00 -0.94 1.41 -1.72 0.00 0.00 179.24 177.76 1uhu n HIS 15 N -3.22 2.18 -0.31 4.55 8.25 0.14 -4.83 115.22 121.98 1uhu n HIS 15 Ca 0.01 -2.35 0.24 0.00 -0.26 0.00 0.00 57.72 55.36 1uhu n HIS 15 Cb 0.45 -0.28 0.54 0.00 1.12 0.00 0.00 29.99 31.83 1uhu n HIS 15 CO 0.00 0.00 0.00 2.35 0.64 0.00 0.00 176.34 179.33 1uhu h TRP 16 N 2.44 0.56 -0.61 4.41 -0.00 0.24 0.63 115.95 123.62 1uhu h TRP 16 Ca 0.15 0.02 0.09 0.00 -0.00 0.00 0.00 58.89 59.15 1uhu h TRP 16 Cb 1.34 -0.16 -0.07 0.00 -0.00 0.00 0.00 29.16 30.27 1uhu h TRP 16 CO 0.70 0.06 0.23 0.77 -0.00 0.00 0.00 178.44 180.20 1uhu h SER 17 N 0.34 0.24 -0.25 2.65 0.02 -1.84 1.01 113.55 115.73 1uhu h SER 17 Ca 0.58 0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 61.57 1uhu h SER 17 Cb 1.57 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 64.15 1uhu h SER 17 CO -0.25 0.14 -0.00 -0.08 -1.14 0.00 0.00 176.83 175.50 1uhu h GLU 18 N 0.42 0.44 -0.69 3.45 4.57 -0.10 0.11 114.58 122.78 1uhu h GLU 18 Ca 0.31 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 1uhu h GLU 18 Cb 0.38 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.89 1uhu h GLU 18 CO -0.30 0.61 0.38 0.82 -1.18 0.00 0.00 179.01 179.34 1uhu h ILE 19 N 0.22 1.21 -0.03 2.32 1.08 -0.45 -1.00 117.51 120.85 1uhu h ILE 19 Ca 0.07 -0.53 -0.13 0.00 -0.39 0.00 0.00 64.86 63.89 1uhu h ILE 19 Cb 0.42 0.27 -0.02 0.00 -3.07 0.00 0.00 36.82 34.42 1uhu h ILE 19 CO 0.01 0.23 -0.57 0.03 -0.69 0.00 0.00 178.15 177.16 1uhu h ARG 20 N 0.97 0.09 -0.34 2.37 3.08 0.13 -2.91 114.38 117.77 1uhu h ARG 20 Ca 0.25 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.17 1uhu h ARG 20 Cb 0.03 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1uhu h ARG 20 CO -0.04 0.64 -0.03 1.03 -1.07 0.00 0.00 179.97 180.50 1uhu h SER 21 N 0.07 0.61 -0.29 7.04 0.87 0.44 -2.62 113.55 119.67 1uhu h SER 21 Ca -0.00 -0.33 0.01 0.00 -1.23 0.00 0.00 61.79 60.23 1uhu h SER 21 Cb 1.03 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.81 1uhu h SER 21 CO 0.08 0.80 0.19 0.03 -0.53 0.00 0.00 176.83 177.40 1uhu h ARG 22 N 0.41 0.37 -0.61 2.24 2.47 -1.14 -0.92 114.38 117.20 1uhu h ARG 22 Ca 0.09 -0.02 -0.05 0.00 -1.26 0.00 0.00 59.98 58.74 1uhu h ARG 22 Cb 0.50 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.71 1uhu h ARG 22 CO 0.02 0.25 0.19 0.00 0.56 0.00 0.00 179.97 180.99 1uhu h ALA 23 N 1.82 0.80 -0.62 0.04 0.00 -1.28 0.85 119.26 120.88 1uhu h ALA 23 Ca 0.11 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1uhu h ALA 23 Cb -0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1uhu h ALA 23 CO -0.02 0.47 0.06 1.25 0.00 0.00 0.00 179.25 181.01 1uhu h HIS 24 N 0.87 1.13 -0.12 0.00 6.17 -0.91 1.67 115.15 123.95 1uhu h HIS 24 Ca 0.20 -0.17 -0.15 0.00 0.71 0.00 0.00 60.37 60.95 1uhu h HIS 24 Cb 0.30 -0.30 -0.01 0.00 2.52 0.00 0.00 27.41 29.91 1uhu h HIS 24 CO 0.02 0.97 -0.57 -0.97 0.71 0.00 0.00 177.93 178.10 1uhu h ASN 25 N 0.95 0.43 0.87 3.26 -0.73 -0.82 -2.38 115.58 117.16 1uhu h ASN 25 Ca 0.18 -0.23 0.00 0.00 1.87 0.00 0.00 56.30 58.12 1uhu h ASN 25 Cb 0.49 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 38.95 1uhu h ASN 25 CO 0.02 0.90 -0.14 0.18 -0.37 0.00 0.00 177.43 178.02 1uhu n LEU 26 N -3.92 0.16 -2.28 0.34 4.77 0.29 -4.92 117.00 111.44 1uhu n LEU 26 Ca -0.03 0.36 -0.13 0.00 -0.03 0.00 0.00 56.01 56.19 1uhu n LEU 26 Cb 0.60 -0.43 0.05 0.00 -2.33 0.00 0.00 43.42 41.31 1uhu n LEU 26 CO 0.45 0.03 0.13 -1.20 -1.33 0.00 0.00 177.39 175.47 1uhu n SER 27 N -1.52 -4.13 -4.01 -1.43 7.64 0.27 -5.02 113.62 105.43 1uhu n SER 27 Ca 0.07 -0.31 -0.09 0.00 1.01 0.00 0.00 58.87 59.54 1uhu n SER 27 Cb 0.34 -3.09 -0.11 0.00 -1.01 0.00 0.00 64.21 60.34 1uhu n SER 27 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1uhu s VAL 28 N -3.19 0.18 -0.04 0.44 -7.23 0.50 -4.99 120.40 106.07 1uhu s VAL 28 Ca 0.28 -1.06 0.03 0.00 -1.81 0.00 0.00 61.98 59.42 1uhu s VAL 28 Cb -0.13 -0.48 -0.03 0.00 0.56 0.00 0.00 36.38 36.31 1uhu s VAL 28 CO 0.42 -0.55 -0.10 -1.61 -0.31 0.00 0.00 175.10 172.95 1uhu s GLU 29 N -1.81 2.59 0.20 4.82 0.41 -1.26 -3.73 118.70 119.91 1uhu s GLU 29 Ca -0.12 -0.66 -0.04 0.00 -0.41 0.00 0.00 54.97 53.74 1uhu s GLU 29 Cb -0.08 -2.49 -0.03 0.00 -1.78 0.00 0.00 34.13 29.76 1uhu s GLU 29 CO -0.02 0.63 0.20 0.96 -0.49 0.00 0.00 175.26 176.54 1uhu s ILE 30 N -0.84 0.02 0.33 -1.63 -4.36 -1.26 -4.94 121.20 108.51 1uhu s ILE 30 Ca 0.13 -1.83 0.07 0.00 -0.26 0.00 0.00 60.65 58.77 1uhu s ILE 30 Cb -0.11 -2.33 -0.06 0.00 1.25 0.00 0.00 42.46 41.20 1uhu s ILE 30 CO 0.03 -0.08 -0.04 -0.54 0.24 0.00 0.00 174.94 174.54 1uhu s LYS 31 N -4.10 1.71 0.14 0.37 1.02 -1.26 -5.04 119.74 112.57 1uhu s LYS 31 Ca 0.32 -1.90 0.20 0.00 0.02 0.00 0.00 55.97 54.61 1uhu s LYS 31 Cb 0.05 -1.35 -0.07 0.00 -0.52 0.00 0.00 37.83 35.95 1uhu s LYS 31 CO 0.09 0.02 0.94 1.17 -0.92 0.00 0.00 175.35 176.65 1uhu n LYS 32 N -0.72 0.61 -0.01 1.68 4.81 -1.26 -2.50 118.16 120.77 1uhu n LYS 32 Ca -0.05 0.17 -0.13 0.00 -0.87 0.00 0.00 58.31 57.43 1uhu n LYS 32 Cb 0.64 -1.82 -0.10 0.00 0.02 0.00 0.00 35.03 33.78 1uhu n LYS 32 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1uhu h GLY 33 N 3.87 -0.04 1.37 3.14 0.00 -2.00 -3.02 103.07 106.40 1uhu h GLY 33 Ca -0.08 0.01 -0.23 0.00 0.00 0.00 0.00 47.33 47.03 1uhu h GLY 33 CO 0.02 -0.01 -0.91 -0.56 0.00 0.00 0.00 176.54 175.08 1uhu h PRO 34 N -0.57 0.58 -1.01 4.80 0.13 -1.99 -2.15 132.00 131.79 1uhu h PRO 34 Ca -0.00 -0.57 0.24 0.00 -0.87 0.00 0.00 66.00 64.79 1uhu h PRO 34 Cb 0.53 0.15 -0.11 0.00 0.13 0.00 0.00 31.00 31.70 1uhu h PRO 34 CO 0.01 1.19 0.62 2.35 -0.23 0.00 0.00 178.00 181.93 1uhu h TRP 35 N 0.36 0.92 0.02 1.56 2.91 -1.58 1.19 115.95 121.33 1uhu h TRP 35 Ca -0.08 0.03 -0.06 0.00 1.13 0.00 0.00 58.89 59.91 1uhu h TRP 35 Cb 1.54 -0.27 0.01 0.00 -0.51 0.00 0.00 29.16 29.93 1uhu h TRP 35 CO 0.08 0.11 -0.24 -0.09 -1.03 0.00 0.00 178.44 177.27 1uhu h ARG 36 N 0.57 0.12 -0.05 2.65 9.65 -1.46 -3.02 114.38 122.84 1uhu h ARG 36 Ca 0.61 -0.16 0.03 0.00 -1.10 0.00 0.00 59.98 59.36 1uhu h ARG 36 Cb 1.22 0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 29.81 1uhu h ARG 36 CO -0.39 0.99 -0.20 1.15 2.80 0.00 0.00 179.97 184.32 1uhu h THR 37 N -0.68 0.53 -0.20 0.20 2.02 -0.33 1.42 112.91 115.86 1uhu h THR 37 Ca -0.04 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.20 1uhu h THR 37 Cb 1.09 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1uhu h THR 37 CO 0.05 0.00 0.19 -0.26 0.37 0.00 0.00 175.52 175.87 1uhu h PHE 38 N -0.29 0.00 -0.42 3.16 0.04 0.12 0.65 116.94 120.21 1uhu h PHE 38 Ca 0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1uhu h PHE 38 Cb 0.39 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.54 1uhu h PHE 38 CO -0.26 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.45 1uhu n ALA 40 N 0.42 0.94 -2.34 0.00 0.00 0.46 -4.62 120.51 115.37 1uhu n ALA 40 Ca 0.19 -0.82 -0.04 0.00 0.00 0.00 0.00 53.44 52.77 1uhu n ALA 40 Cb 0.70 -0.04 0.02 0.00 0.00 0.00 0.00 19.45 20.13 1uhu n ALA 40 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1uhu n SER 41 N -4.39 -0.90 -0.03 0.00 2.88 -0.92 -4.85 113.62 105.42 1uhu n SER 41 Ca -0.34 -2.09 -0.05 0.00 -1.33 0.00 0.00 58.87 55.06 1uhu n SER 41 Cb 0.67 0.37 -0.02 0.00 -0.75 0.00 0.00 64.21 64.48 1uhu n SER 41 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1uhu n GLU 42 N -0.61 0.11 -0.00 -1.46 4.07 -1.21 -4.31 120.64 117.24 1uhu n GLU 42 Ca -0.20 0.05 -0.17 0.00 -0.06 0.00 0.00 57.16 56.78 1uhu n GLU 42 Cb 0.81 -0.70 -0.11 0.00 -0.06 0.00 0.00 31.44 31.38 1uhu n GLU 42 CO 0.00 0.00 0.00 -1.49 -0.06 0.00 0.00 177.13 175.58 1uhu h TRP 43 N -0.18 0.55 0.00 4.31 6.55 -0.66 -3.02 115.95 123.50 1uhu h TRP 43 Ca -0.13 -0.30 0.00 0.00 0.95 0.00 0.00 58.89 59.41 1uhu h TRP 43 Cb 1.12 -0.06 0.00 0.00 -0.86 0.00 0.00 29.16 29.35 1uhu h TRP 43 CO -0.02 1.11 0.00 -0.35 -1.05 0.00 0.00 178.44 178.14 1uhu n PRO 44 N -4.27 0.75 -0.31 0.49 -0.04 -1.26 -2.25 135.00 128.11 1uhu n PRO 44 Ca -0.10 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.44 1uhu n PRO 44 Cb 0.64 -1.42 0.20 0.00 -0.04 0.00 0.00 33.50 32.88 1uhu n PRO 44 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1uhu n THR 45 N -0.92 2.12 1.02 0.52 -2.24 -1.15 -4.49 114.28 109.15 1uhu n THR 45 Ca 0.15 -2.23 0.11 0.00 -2.27 0.00 0.00 64.05 59.81 1uhu n THR 45 Cb 0.07 -0.25 0.01 0.00 -2.10 0.00 0.00 70.33 68.05 1uhu n THR 45 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1uhu n PHE 46 N -1.04 0.00 -2.54 4.78 3.72 -0.96 -4.94 117.46 116.48 1uhu n PHE 46 Ca 0.20 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.59 1uhu n PHE 46 Cb 0.78 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.28 1uhu n PHE 46 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1uhu n ASP 47 N -0.84 -7.07 0.00 4.37 9.92 -1.26 -4.98 116.55 116.68 1uhu n ASP 47 Ca 0.07 1.08 0.00 0.00 -0.53 0.00 0.00 54.79 55.41 1uhu n ASP 47 Cb 0.39 -4.67 0.00 0.00 -0.64 0.00 0.00 41.12 36.20 1uhu n ASP 47 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1uhu n VAL 48 N 0.43 0.00 0.00 2.53 0.24 -1.26 -5.04 118.33 115.23 1uhu n VAL 48 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1uhu n VAL 48 Cb 0.07 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.44 1uhu n VAL 48 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1uhu n GLY 49 N -1.32 0.22 3.51 7.63 0.00 -1.26 -5.11 105.19 108.86 1uhu n GLY 49 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1uhu n GLY 49 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1uhu s TRP 50 N -0.42 3.14 0.83 1.61 -0.11 -1.26 -4.93 118.94 117.80 1uhu s TRP 50 Ca 0.00 -0.23 -0.12 0.00 1.22 0.00 0.00 56.10 56.97 1uhu s TRP 50 Cb 0.00 -2.19 0.09 0.00 -1.50 0.00 0.00 33.47 29.87 1uhu s TRP 50 CO 0.00 -0.19 1.11 -1.25 -4.62 0.00 0.00 176.95 172.00 1uhu s PRO 51 N 1.23 1.81 0.14 5.86 0.04 -1.26 -4.06 135.00 138.76 1uhu s PRO 51 Ca 0.05 0.54 -0.04 0.00 0.04 0.00 0.00 61.00 61.59 1uhu s PRO 51 Cb -0.14 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 1uhu s PRO 51 CO 0.04 -1.79 1.35 -1.00 0.04 0.00 0.00 177.00 175.63 1uhu h PRO 52 N -1.21 0.42 0.00 0.56 0.13 -1.88 -2.96 132.00 127.06 1uhu h PRO 52 Ca -0.48 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.24 1uhu h PRO 52 Cb 1.29 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1uhu h PRO 52 CO 0.60 1.07 0.00 0.39 -0.23 0.00 0.00 178.00 179.83 1uhu n GLU 53 N -3.78 0.07 0.00 0.86 4.71 -1.26 -4.58 120.64 116.66 1uhu n GLU 53 Ca -0.06 0.17 0.00 0.00 -0.01 0.00 0.00 57.16 57.26 1uhu n GLU 53 Cb 0.79 -1.60 0.00 0.00 -1.01 0.00 0.00 31.44 29.62 1uhu n GLU 53 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1uhu n GLY 54 N 0.82 -0.19 3.53 0.62 0.00 -1.12 -1.97 105.19 106.88 1uhu n GLY 54 Ca 0.05 -1.87 -0.18 0.00 0.00 0.00 0.00 46.02 44.03 1uhu n GLY 54 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1uhu s THR 55 N -1.25 0.00 -0.43 2.61 -1.32 -1.26 -4.67 115.64 109.33 1uhu s THR 55 Ca 0.00 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.53 1uhu s THR 55 Cb 0.00 -1.00 0.63 0.00 -1.51 0.00 0.00 72.50 70.62 1uhu s THR 55 CO 0.00 0.00 1.83 0.49 -2.21 0.00 0.00 174.62 174.73 1uhu n PHE 56 N 0.95 2.68 -3.34 9.09 3.72 -1.26 -4.83 117.46 124.47 1uhu n PHE 56 Ca -0.18 -1.85 -0.43 0.00 -0.05 0.00 0.00 57.45 54.94 1uhu n PHE 56 Cb 0.57 -0.87 -0.09 0.00 -0.94 0.00 0.00 39.48 38.15 1uhu n PHE 56 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1uhu s ASP 57 N -1.59 6.18 0.36 4.37 2.15 -1.26 -4.69 116.67 122.19 1uhu s ASP 57 Ca 0.55 -0.79 0.16 0.00 0.43 0.00 0.00 52.55 52.90 1uhu s ASP 57 Cb 0.47 -2.21 1.10 0.00 -0.30 0.00 0.00 42.92 41.97 1uhu s ASP 57 CO 0.08 -0.58 1.69 0.25 -0.17 0.00 0.00 175.17 176.44 1uhu h LEU 58 N 8.99 0.50 -0.64 -1.34 5.85 -1.95 0.97 115.31 127.69 1uhu h LEU 58 Ca -0.27 0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.66 1uhu h LEU 58 Cb 1.11 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 1uhu h LEU 58 CO 0.80 -0.05 0.35 0.74 -0.34 0.00 0.00 178.44 179.94 1uhu h THR 59 N 0.36 0.95 -0.02 1.05 2.02 -1.98 1.44 112.91 116.72 1uhu h THR 59 Ca 0.70 -0.22 -0.19 0.00 0.77 0.00 0.00 66.41 67.47 1uhu h THR 59 Cb 1.67 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1uhu h THR 59 CO -0.50 0.12 -0.82 0.58 0.37 0.00 0.00 175.52 175.27 1uhu h VAL 60 N 0.64 1.45 0.21 3.16 2.07 0.35 -2.86 116.25 121.28 1uhu h VAL 60 Ca 0.29 -2.43 -0.01 0.00 0.82 0.00 0.00 66.70 65.37 1uhu h VAL 60 Cb 0.19 2.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1uhu h VAL 60 CO -0.19 0.71 -0.10 0.40 0.02 0.00 0.00 177.57 178.42 1uhu h ILE 61 N 0.15 0.87 -0.49 4.57 2.04 0.90 -2.78 117.51 122.77 1uhu h ILE 61 Ca -0.04 -0.71 0.14 0.00 1.00 0.00 0.00 64.86 65.25 1uhu h ILE 61 Cb 1.42 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 1uhu h ILE 61 CO 0.13 0.15 0.42 -0.26 0.00 0.00 0.00 178.15 178.59 1uhu h PHE 62 N -0.66 0.00 0.21 1.37 -1.00 0.19 0.25 116.94 117.30 1uhu h PHE 62 Ca -0.03 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.74 1uhu h PHE 62 Cb 0.47 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.03 1uhu h PHE 62 CO 0.04 0.00 -0.10 0.93 -1.61 0.00 0.00 178.31 177.56 1uhu h GLU 63 N 0.00 -0.27 -0.43 1.51 5.08 -1.25 0.27 114.58 119.48 1uhu h GLU 63 Ca 0.23 0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.50 1uhu h GLU 63 Cb 1.07 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1uhu h GLU 63 CO -0.00 0.02 -0.17 0.28 -1.00 0.00 0.00 179.01 178.14 1uhu h VAL 64 N -0.57 1.27 -0.47 3.13 2.07 -0.96 -2.45 116.25 118.27 1uhu h VAL 64 Ca -0.03 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.17 1uhu h VAL 64 Cb 0.42 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1uhu h VAL 64 CO 0.05 0.43 0.11 0.50 0.02 0.00 0.00 177.57 178.68 1uhu h LYS 65 N 0.73 0.71 0.24 1.57 3.64 -0.50 0.44 116.57 123.40 1uhu h LYS 65 Ca 0.11 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1uhu h LYS 65 Cb 0.68 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1uhu h LYS 65 CO 0.05 0.64 -0.19 0.00 -2.27 0.00 0.00 179.45 177.68 1uhu h ALA 66 N 1.44 -0.43 -0.50 5.00 0.00 0.01 1.62 119.26 126.40 1uhu h ALA 66 Ca 0.16 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1uhu h ALA 66 Cb 0.26 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1uhu h ALA 66 CO -0.00 -0.76 -0.00 0.82 0.00 0.00 0.00 179.25 179.30 1uhu h ILE 67 N -0.45 1.26 0.35 0.00 2.04 -1.22 -2.59 117.51 116.89 1uhu h ILE 67 Ca -0.01 -1.09 -0.02 0.00 1.00 0.00 0.00 64.86 64.75 1uhu h ILE 67 Cb 0.40 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1uhu h ILE 67 CO -0.02 0.38 -0.18 0.58 0.00 0.00 0.00 178.15 178.92 1uhu h VAL 68 N 0.75 0.64 -0.44 1.67 2.07 0.25 -2.48 116.25 118.71 1uhu h VAL 68 Ca 0.14 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.38 1uhu h VAL 68 Cb 0.52 0.64 -0.11 0.00 -1.52 0.00 0.00 31.29 30.82 1uhu h VAL 68 CO 0.03 0.00 0.24 0.49 0.02 0.00 0.00 177.57 178.34 1uhu n PHE 69 N -5.30 1.06 -3.81 1.57 3.01 0.55 0.22 117.46 114.77 1uhu n PHE 69 Ca -0.10 -1.72 -0.36 0.00 1.01 0.00 0.00 57.45 56.28 1uhu n PHE 69 Cb 0.21 -1.02 -0.07 0.00 -0.01 0.00 0.00 39.48 38.59 1uhu n PHE 69 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 1uhu s GLN 70 N -1.11 3.80 0.00 -1.08 -2.07 -0.93 -4.89 119.66 113.38 1uhu s GLN 70 Ca 0.34 -0.17 0.00 0.00 -1.82 0.00 0.00 55.36 53.71 1uhu s GLN 70 Cb 0.23 -3.30 0.00 0.00 -1.09 0.00 0.00 33.01 28.85 1uhu s GLN 70 CO -0.05 0.55 0.00 -3.47 -1.32 0.00 0.00 175.29 171.00 1uhu n ASP 71 N 2.72 0.00 0.00 12.60 2.03 -1.26 0.17 116.55 132.81 1uhu n ASP 71 Ca -0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.13 1uhu n ASP 71 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 1uhu n ASP 71 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1uhu n GLY 72 N 0.00 -0.39 0.00 0.27 0.00 -1.26 -4.12 105.19 99.70 1uhu n GLY 72 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1uhu n GLY 72 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uhu n PRO 73 N -2.28 0.23 0.02 1.61 -0.04 -1.26 -2.30 135.00 130.97 1uhu n PRO 73 Ca 0.00 0.09 0.11 0.00 -0.04 0.00 0.00 63.50 63.66 1uhu n PRO 73 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 1uhu n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uhu n GLY 74 N 0.67 -1.13 0.85 0.55 0.00 -1.25 -4.95 105.19 99.93 1uhu n GLY 74 Ca 0.09 -0.46 -0.06 0.00 0.00 0.00 0.00 46.02 45.59 1uhu n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uhu n SER 75 N -1.98 0.10 -3.64 1.61 3.41 0.45 -4.62 113.62 108.94 1uhu n SER 75 Ca 0.01 -1.14 -0.29 0.00 -0.26 0.00 0.00 58.87 57.18 1uhu n SER 75 Cb 0.45 -0.20 -0.14 0.00 -0.26 0.00 0.00 64.21 64.06 1uhu n SER 75 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1uhu s HIS 76 N -1.34 1.24 -1.14 7.33 3.76 0.60 -4.90 115.29 120.84 1uhu s HIS 76 Ca 0.16 -1.59 0.22 0.00 -0.15 0.00 0.00 55.06 53.71 1uhu s HIS 76 Cb -0.01 -1.41 1.00 0.00 1.11 0.00 0.00 32.58 33.27 1uhu s HIS 76 CO 0.11 -0.85 1.71 -0.35 -0.85 0.00 0.00 174.74 174.52 1uhu n PRO 77 N 4.67 0.11 -0.01 8.40 -0.04 -1.26 0.31 135.00 147.18 1uhu n PRO 77 Ca 0.00 0.11 -0.22 0.00 -0.04 0.00 0.00 63.50 63.35 1uhu n PRO 77 Cb 0.40 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.23 1uhu n PRO 77 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1uhu h ASP 78 N 0.00 0.35 1.02 3.54 3.32 -1.97 -3.37 116.42 119.32 1uhu h ASP 78 Ca 0.00 -0.88 0.00 0.00 0.02 0.00 0.00 57.03 56.17 1uhu h ASP 78 Cb 0.32 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1uhu h ASP 78 CO 0.00 1.79 -0.75 1.56 -1.72 0.00 0.00 179.24 180.12 1uhu h GLN 79 N -0.12 0.00 -0.61 3.56 7.50 -1.94 -3.36 115.11 120.14 1uhu h GLN 79 Ca -0.41 0.00 0.13 0.00 0.50 0.00 0.00 58.65 58.87 1uhu h GLN 79 Cb 1.91 0.00 -0.10 0.00 0.05 0.00 0.00 27.48 29.33 1uhu h GLN 79 CO 0.04 0.00 -0.02 1.96 -1.50 0.00 0.00 178.83 179.32 1uhu h GLN 80 N 0.00 0.10 0.00 1.46 4.20 -0.30 1.54 115.11 122.11 1uhu h GLN 80 Ca 0.00 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1uhu h GLN 80 Cb 0.89 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 1uhu h GLN 80 CO 0.00 0.07 -0.20 -1.00 -0.67 0.00 0.00 178.83 177.03 1uhu h PRO 81 N 0.10 0.00 0.00 1.46 0.13 -1.76 -1.77 132.00 130.16 1uhu h PRO 81 Ca 0.31 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.44 1uhu h PRO 81 Cb 0.50 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.63 1uhu h PRO 81 CO -0.53 0.20 -0.03 1.88 -0.23 0.00 0.00 178.00 179.29 1uhu h TYR 82 N 0.00 0.03 -0.25 1.56 -1.99 -0.54 -2.97 116.97 112.81 1uhu h TYR 82 Ca -0.00 -0.02 -0.07 0.00 2.00 0.00 0.00 58.73 60.64 1uhu h TYR 82 Cb 0.90 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.62 1uhu h TYR 82 CO 0.00 0.93 -0.14 0.97 -0.00 0.00 0.00 178.16 179.92 1uhu h ILE 83 N -0.89 1.22 -0.08 -2.88 6.09 0.19 -2.77 117.51 118.40 1uhu h ILE 83 Ca -0.01 -1.00 0.01 0.00 -1.37 0.00 0.00 64.86 62.50 1uhu h ILE 83 Cb 0.94 1.19 -0.01 0.00 0.47 0.00 0.00 36.82 39.41 1uhu h ILE 83 CO 0.01 0.32 0.01 0.74 -3.07 0.00 0.00 178.15 176.16 1uhu h THR 84 N 0.39 0.96 -0.51 2.19 2.02 -1.40 -1.08 112.91 115.49 1uhu h THR 84 Ca 0.07 -0.02 0.08 0.00 0.77 0.00 0.00 66.41 67.31 1uhu h THR 84 Cb 0.49 0.91 -0.06 0.00 -1.74 0.00 0.00 68.15 67.74 1uhu h THR 84 CO 0.03 0.01 0.15 0.58 0.37 0.00 0.00 175.52 176.66 1uhu h VAL 85 N 0.04 0.78 -0.43 3.16 2.07 -1.33 -0.20 116.25 120.35 1uhu h VAL 85 Ca 0.04 -0.11 0.08 0.00 0.82 0.00 0.00 66.70 67.53 1uhu h VAL 85 Cb 0.04 0.44 -0.07 0.00 -1.52 0.00 0.00 31.29 30.18 1uhu h VAL 85 CO -0.06 0.06 0.01 -0.50 0.02 0.00 0.00 177.57 177.10 1uhu h TRP 86 N 0.31 -0.00 -0.73 1.57 4.06 -1.17 0.37 115.95 120.36 1uhu h TRP 86 Ca 0.25 0.03 0.14 0.00 2.06 0.00 0.00 58.89 61.37 1uhu h TRP 86 Cb 0.30 0.07 -0.05 0.00 -1.00 0.00 0.00 29.16 28.48 1uhu h TRP 86 CO -0.19 -0.08 0.49 0.37 -3.56 0.00 0.00 178.44 175.47 1uhu h GLN 87 N 0.12 0.40 -0.23 0.49 4.15 0.21 0.21 115.11 120.47 1uhu h GLN 87 Ca 0.21 -0.02 -0.17 0.00 0.77 0.00 0.00 58.65 59.44 1uhu h GLN 87 Cb 0.31 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.90 1uhu h GLN 87 CO -0.35 0.27 -0.54 0.22 -1.93 0.00 0.00 178.83 176.50 1uhu h ASP 88 N 0.42 0.74 -0.94 -0.69 1.82 0.84 -1.41 116.42 117.20 1uhu h ASP 88 Ca 0.35 -0.39 0.07 0.00 -0.39 0.00 0.00 57.03 56.67 1uhu h ASP 88 Cb 0.79 -0.21 -0.06 0.00 0.68 0.00 0.00 39.33 40.53 1uhu h ASP 88 CO -0.11 1.13 0.61 -0.07 -1.61 0.00 0.00 179.24 179.19 1uhu h LEU 89 N 0.51 0.95 -0.06 2.28 -0.00 0.17 0.74 115.31 119.91 1uhu h LEU 89 Ca 0.01 0.01 -0.05 0.00 -0.00 0.00 0.00 57.88 57.85 1uhu h LEU 89 Cb 1.10 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 41.57 1uhu h LEU 89 CO 0.11 0.60 -0.16 0.58 -0.00 0.00 0.00 178.44 179.57 1uhu h VAL 90 N 1.07 1.43 0.35 1.22 2.07 -1.18 -3.17 116.25 118.05 1uhu h VAL 90 Ca 0.40 -1.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.37 1uhu h VAL 90 Cb 0.19 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1uhu h VAL 90 CO -0.15 0.43 -0.18 1.56 0.02 0.00 0.00 177.57 179.24 1uhu h GLN 91 N -0.30 -0.47 -4.35 1.57 4.20 -0.50 -3.32 115.11 111.94 1uhu h GLN 91 Ca -0.00 0.03 -0.75 0.00 0.06 0.00 0.00 58.65 57.98 1uhu h GLN 91 Cb 0.78 0.11 -0.21 0.00 0.30 0.00 0.00 27.48 28.45 1uhu h GLN 91 CO 0.04 -0.32 0.93 -0.80 -0.67 0.00 0.00 178.83 178.01 1uhu s ASN 92 N -2.78 7.08 -0.09 1.46 0.01 0.25 -4.99 114.94 115.88 1uhu s ASN 92 Ca -0.07 -3.06 -0.30 0.00 -0.71 0.00 0.00 52.86 48.72 1uhu s ASN 92 Cb 0.01 -2.33 -0.08 0.00 0.41 0.00 0.00 41.25 39.26 1uhu s ASN 92 CO 0.22 -0.63 2.08 -1.20 -1.51 0.00 0.00 177.10 176.06 1uhu n SER 93 N 4.72 3.68 -4.80 -1.22 7.64 -1.20 -4.58 113.62 117.86 1uhu n SER 93 Ca 0.30 0.61 -0.30 0.00 1.01 0.00 0.00 58.87 60.49 1uhu n SER 93 Cb 0.43 -1.52 0.09 0.00 -1.01 0.00 0.00 64.21 62.20 1uhu n SER 93 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1uhu s PRO 94 N 5.26 2.06 0.40 1.43 0.04 -1.26 -4.83 135.00 138.10 1uhu s PRO 94 Ca 0.95 0.62 0.21 0.00 0.04 0.00 0.00 61.00 62.83 1uhu s PRO 94 Cb -0.43 -1.92 0.61 0.00 0.04 0.00 0.00 34.50 32.80 1uhu s PRO 94 CO 0.40 -1.63 1.69 -1.00 0.04 0.00 0.00 177.00 176.50 1uhu h PRO 95 N -1.10 0.00 -0.00 0.56 0.13 -1.93 0.15 132.00 129.81 1uhu h PRO 95 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1uhu h PRO 95 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1uhu h PRO 95 CO 0.59 0.27 -0.02 -2.67 -0.23 0.00 0.00 178.00 175.95 1uhu n TRP 96 N -3.30 0.00 -0.10 1.56 4.27 -1.26 -3.81 117.44 114.81 1uhu n TRP 96 Ca 0.01 0.00 -0.19 0.00 -3.89 0.00 0.00 57.50 53.44 1uhu n TRP 96 Cb 0.53 -0.46 -0.06 0.00 -1.36 0.00 0.00 31.31 29.95 1uhu n TRP 96 CO 0.00 0.00 0.00 -0.89 -2.29 0.00 0.00 177.69 174.51 1uhu n ILE 97 N -1.47 1.33 -3.94 -1.67 5.41 -0.91 -5.03 119.36 113.08 1uhu n ILE 97 Ca 0.08 -0.14 -0.10 0.00 1.00 0.00 0.00 62.75 63.59 1uhu n ILE 97 Cb 0.33 -1.96 -0.12 0.00 -0.71 0.00 0.00 39.64 37.18 1uhu n ILE 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1uhu s LYS 98 N -2.54 0.22 -0.41 0.38 1.02 0.48 -5.01 119.74 113.89 1uhu s LYS 98 Ca -0.29 -0.42 0.02 0.00 0.02 0.00 0.00 55.97 55.30 1uhu s LYS 98 Cb 0.09 0.08 0.15 0.00 -0.52 0.00 0.00 37.83 37.63 1uhu s LYS 98 CO 0.39 -0.04 0.26 0.45 -0.92 0.00 0.00 175.35 175.49 1uhu s SER 99 N -1.02 2.88 0.00 2.83 0.15 -1.26 -3.76 113.70 113.52 1uhu s SER 99 Ca -0.11 -2.60 0.00 0.00 0.70 0.00 0.00 55.95 53.94 1uhu s SER 99 Cb -0.07 -0.64 0.00 0.00 -1.71 0.00 0.00 66.02 63.60 1uhu s SER 99 CO -0.01 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.79 1uhu n GLY 100 N 3.51 3.85 3.58 9.45 0.00 -1.26 -5.07 105.19 119.26 1uhu n GLY 100 Ca 0.16 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 1uhu n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uhu s PRO 101 N -2.57 3.37 0.19 1.61 0.04 -1.26 -4.99 135.00 131.38 1uhu s PRO 101 Ca 0.00 0.70 -0.13 0.00 0.04 0.00 0.00 61.00 61.61 1uhu s PRO 101 Cb 0.00 -4.11 -0.07 0.00 0.04 0.00 0.00 34.50 30.36 1uhu s PRO 101 CO 0.00 -1.84 0.57 0.45 0.04 0.00 0.00 177.00 176.22 1uhu s SER 102 N 4.55 6.77 -0.10 6.66 0.15 -1.26 -5.06 113.70 125.41 1uhu s SER 102 Ca 0.58 1.06 -0.33 0.00 0.70 0.00 0.00 55.95 57.96 1uhu s SER 102 Cb -0.13 -2.28 0.14 0.00 -1.71 0.00 0.00 66.02 62.04 1uhu s SER 102 CO 0.28 0.02 1.36 -0.44 1.20 0.00 0.00 173.24 175.66 1uhu s SER 103 N -1.97 -0.04 0.00 5.45 0.01 -1.26 -5.27 113.70 110.63 1uhu s SER 103 Ca 0.42 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.63 1uhu s SER 103 Cb -0.13 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.17 1uhu s SER 103 CO 0.20 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.32