#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhu n SER 1 N 0.00 -1.63 -4.46 1.61 7.64 -1.26 -4.93 113.62 110.58 1uhu n SER 1 Ca 0.00 0.61 -0.23 0.00 1.01 0.00 0.00 58.87 60.26 1uhu n SER 1 Cb 0.00 1.67 -0.10 0.00 -1.01 0.00 0.00 64.21 64.76 1uhu n SER 1 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1uhu s SER 2 N -3.86 2.66 -0.07 6.43 0.15 -1.26 -5.06 113.70 112.69 1uhu s SER 2 Ca 0.00 -1.40 -0.30 0.00 0.70 0.00 0.00 55.95 54.94 1uhu s SER 2 Cb 0.00 -0.08 0.11 0.00 -1.71 0.00 0.00 66.02 64.34 1uhu s SER 2 CO 0.00 -0.61 1.35 -0.83 1.20 0.00 0.00 173.24 174.35 1uhu s GLY 3 N -3.54 -0.24 0.29 9.45 0.00 -1.26 -5.02 107.32 107.00 1uhu s GLY 3 Ca 0.35 0.28 0.00 0.00 0.00 0.00 0.00 44.72 45.34 1uhu s GLY 3 CO 0.16 5.09 0.00 -1.26 0.00 0.00 0.00 173.10 177.09 1uhu n SER 4 N -0.91 -0.59 -4.92 1.64 2.88 -1.26 -5.13 113.62 105.32 1uhu n SER 4 Ca 0.02 0.51 -0.19 0.00 -1.33 0.00 0.00 58.87 57.88 1uhu n SER 4 Cb 0.59 0.76 -0.02 0.00 -0.75 0.00 0.00 64.21 64.80 1uhu n SER 4 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1uhu s SER 5 N -4.68 5.35 0.15 -3.46 1.04 -1.26 -4.99 113.70 105.85 1uhu s SER 5 Ca 0.00 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.87 1uhu s SER 5 Cb 0.00 -0.71 0.00 0.00 0.10 0.00 0.00 66.02 65.41 1uhu s SER 5 CO 0.00 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1uhu n GLY 6 N -1.63 -4.38 3.96 7.32 0.00 -1.26 -5.03 105.19 104.17 1uhu n GLY 6 Ca 0.04 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 1uhu n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uhu s THR 7 N -0.86 5.21 -0.02 2.61 -4.23 -1.26 -5.03 115.64 112.06 1uhu s THR 7 Ca 0.00 -0.74 -0.22 0.00 -1.18 0.00 0.00 61.69 59.54 1uhu s THR 7 Cb 0.00 -3.84 -0.22 0.00 1.34 0.00 0.00 72.50 69.78 1uhu s THR 7 CO 0.00 -0.37 1.09 1.55 -0.54 0.00 0.00 174.62 176.36 1uhu h PRO 8 N 1.20 0.28 -0.50 3.99 0.13 -1.84 -1.52 132.00 133.75 1uhu h PRO 8 Ca -0.51 -0.27 0.09 0.00 -0.87 0.00 0.00 66.00 64.44 1uhu h PRO 8 Cb 1.22 0.07 -0.07 0.00 0.13 0.00 0.00 31.00 32.35 1uhu h PRO 8 CO 0.62 0.96 0.10 -0.07 -0.23 0.00 0.00 178.00 179.38 1uhu h LEU 9 N -0.30 -0.01 -0.50 1.56 3.38 -1.56 0.94 115.31 118.82 1uhu h LEU 9 Ca -0.04 0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1uhu h LEU 9 Cb 1.06 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1uhu h LEU 9 CO 0.07 0.02 0.06 -1.28 0.09 0.00 0.00 178.44 177.41 1uhu h SER 10 N 0.23 0.81 -0.10 -0.43 0.87 -1.82 0.55 113.55 113.65 1uhu h SER 10 Ca 0.25 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1uhu h SER 10 Cb 0.34 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1uhu h SER 10 CO -0.33 0.87 0.07 -0.07 -0.53 0.00 0.00 176.83 176.84 1uhu h LEU 11 N 0.71 0.12 0.35 2.23 3.38 -0.08 0.38 115.31 122.41 1uhu h LEU 11 Ca 0.15 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1uhu h LEU 11 Cb 0.42 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1uhu h LEU 11 CO 0.01 0.10 -0.17 0.71 0.09 0.00 0.00 178.44 179.19 1uhu h THR 12 N 0.13 0.65 -0.49 0.22 1.35 0.10 -1.06 112.91 113.80 1uhu h THR 12 Ca 0.04 -0.44 0.14 0.00 -0.55 0.00 0.00 66.41 65.61 1uhu h THR 12 Cb 0.00 0.87 -0.02 0.00 -1.73 0.00 0.00 68.15 67.27 1uhu h THR 12 CO -0.01 0.08 0.39 -0.07 -0.25 0.00 0.00 175.52 175.67 1uhu h LEU 13 N -0.72 0.00 -0.43 3.87 3.38 0.18 1.08 115.31 122.66 1uhu h LEU 13 Ca -0.05 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 1uhu h LEU 13 Cb 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1uhu h LEU 13 CO 0.08 0.00 -0.57 0.44 0.09 0.00 0.00 178.44 178.48 1uhu h ASP 14 N 0.00 0.00 -0.96 -0.43 3.32 0.20 -3.20 116.42 115.35 1uhu h ASP 14 Ca 0.23 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.71 1uhu h ASP 14 Cb 1.01 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.15 1uhu h ASP 14 CO -0.00 0.57 -0.61 1.41 -1.72 0.00 0.00 179.24 178.89 1uhu n HIS 15 N -3.43 2.93 -0.29 4.55 8.25 0.34 -4.77 115.22 122.81 1uhu n HIS 15 Ca 0.00 -2.47 0.24 0.00 -0.26 0.00 0.00 57.72 55.23 1uhu n HIS 15 Cb 0.68 -0.40 0.56 0.00 1.12 0.00 0.00 29.99 31.95 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 2.27 0.48 -0.54 4.41 -0.00 -0.68 0.54 115.95 122.42 1uhu h TRP 16 Ca 0.38 0.02 0.07 0.00 -0.00 0.00 0.00 58.89 59.36 1uhu h TRP 16 Cb 1.31 -0.14 -0.06 0.00 -0.00 0.00 0.00 29.16 30.27 1uhu h TRP 16 CO 0.90 0.07 0.22 1.03 -0.00 0.00 0.00 178.44 180.66 1uhu h SER 17 N 0.31 0.25 -0.54 2.65 0.87 -1.86 0.59 113.55 115.82 1uhu h SER 17 Ca 0.54 0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 61.12 1uhu h SER 17 Cb 1.54 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.50 1uhu h SER 17 CO -0.20 0.16 0.18 -0.08 -0.53 0.00 0.00 176.83 176.37 1uhu h GLU 18 N 0.41 0.83 -0.55 2.24 4.57 -0.29 0.17 114.58 121.96 1uhu h GLU 18 Ca 0.26 -0.17 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 1uhu h GLU 18 Cb 0.27 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 1uhu h GLU 18 CO -0.25 0.75 0.27 0.82 -1.18 0.00 0.00 179.01 179.42 1uhu h ILE 19 N 0.74 1.20 0.00 2.32 1.08 -0.59 -0.04 117.51 122.22 1uhu h ILE 19 Ca 0.17 -0.57 -0.05 0.00 -0.39 0.00 0.00 64.86 64.02 1uhu h ILE 19 Cb 0.26 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 34.56 1uhu h ILE 19 CO -0.01 0.23 -0.26 0.03 -0.69 0.00 0.00 178.15 177.45 1uhu h ARG 20 N 0.75 0.00 -0.02 2.37 3.08 0.47 -1.98 114.38 119.04 1uhu h ARG 20 Ca 0.19 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 1uhu h ARG 20 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1uhu h ARG 20 CO -0.02 0.26 -0.05 1.03 -1.07 0.00 0.00 179.97 180.11 1uhu h SER 21 N 0.00 0.08 -0.70 7.04 0.87 0.35 -1.38 113.55 119.81 1uhu h SER 21 Ca -0.00 -0.60 0.00 0.00 -1.23 0.00 0.00 61.79 59.96 1uhu h SER 21 Cb 0.61 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.52 1uhu h SER 21 CO 0.03 0.66 0.45 0.03 -0.53 0.00 0.00 176.83 177.47 1uhu h ARG 22 N -0.50 0.94 -0.32 2.24 3.08 -0.89 0.13 114.38 119.07 1uhu h ARG 22 Ca -0.00 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 59.86 1uhu h ARG 22 Cb 0.65 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1uhu h ARG 22 CO 0.01 0.64 -0.28 0.00 -1.07 0.00 0.00 179.97 179.27 1uhu h ALA 23 N 1.53 0.90 -0.28 0.04 0.00 -1.35 0.05 119.26 120.15 1uhu h ALA 23 Ca 0.26 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1uhu h ALA 23 Cb -0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1uhu h ALA 23 CO -0.05 0.62 0.04 1.25 0.00 0.00 0.00 179.25 181.11 1uhu h HIS 24 N 0.58 0.49 0.00 0.00 6.17 -0.06 1.44 115.15 123.78 1uhu h HIS 24 Ca 0.07 -0.07 -0.05 0.00 0.71 0.00 0.00 60.37 61.03 1uhu h HIS 24 Cb 0.78 -0.14 -0.01 0.00 2.52 0.00 0.00 27.41 30.56 1uhu h HIS 24 CO 0.04 0.57 -0.26 -0.97 0.71 0.00 0.00 177.93 178.01 1uhu h ASN 25 N 0.28 0.00 0.62 3.26 -0.73 -0.85 -0.70 115.58 117.46 1uhu h ASN 25 Ca 0.08 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.25 1uhu h ASN 25 Cb 0.34 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.93 1uhu h ASN 25 CO 0.01 0.26 -0.42 0.18 -0.37 0.00 0.00 177.43 177.08 1uhu n LEU 26 N -3.89 0.43 -2.20 0.34 4.77 -0.01 -4.95 117.00 111.49 1uhu n LEU 26 Ca -0.02 0.10 -0.09 0.00 -0.03 0.00 0.00 56.01 55.98 1uhu n LEU 26 Cb 0.34 -0.29 0.04 0.00 -2.33 0.00 0.00 43.42 41.19 1uhu n LEU 26 CO 0.35 0.09 0.06 -1.20 -1.33 0.00 0.00 177.39 175.36 1uhu n SER 27 N -1.55 -2.28 -4.01 -1.43 7.64 0.22 -5.03 113.62 107.18 1uhu n SER 27 Ca 0.06 -0.31 -0.09 0.00 1.01 0.00 0.00 58.87 59.53 1uhu n SER 27 Cb 0.34 -2.83 -0.11 0.00 -1.01 0.00 0.00 64.21 60.61 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 -3.18 0.19 -0.12 0.44 -7.23 0.43 -4.99 120.40 105.95 1uhu s VAL 28 Ca 0.03 -1.05 -0.00 0.00 -1.81 0.00 0.00 61.98 59.15 1uhu s VAL 28 Cb -0.02 -0.48 -0.02 0.00 0.56 0.00 0.00 36.38 36.43 1uhu s VAL 28 CO 0.37 -0.55 -0.12 -0.70 -0.31 0.00 0.00 175.10 173.79 1uhu s GLU 29 N -1.80 3.27 0.07 4.82 2.12 -1.26 -3.80 118.70 122.12 1uhu s GLU 29 Ca -0.12 -0.66 0.01 0.00 0.36 0.00 0.00 54.97 54.56 1uhu s GLU 29 Cb -0.08 -2.63 -0.04 0.00 0.26 0.00 0.00 34.13 31.65 1uhu s GLU 29 CO -0.02 0.30 -0.06 0.96 -0.54 0.00 0.00 175.26 175.90 1uhu s ILE 30 N 0.14 0.54 0.37 -3.70 -4.36 -1.26 -4.93 121.20 108.00 1uhu s ILE 30 Ca -0.06 -1.64 0.08 0.00 -0.26 0.00 0.00 60.65 58.77 1uhu s ILE 30 Cb -0.15 -1.30 -0.05 0.00 1.25 0.00 0.00 42.46 42.21 1uhu s ILE 30 CO 0.04 -0.75 0.08 -0.54 0.24 0.00 0.00 174.94 174.01 1uhu s LYS 31 N -3.15 2.15 -0.05 0.37 1.02 -1.26 -5.00 119.74 113.83 1uhu s LYS 31 Ca 0.04 -1.78 0.07 0.00 0.02 0.00 0.00 55.97 54.32 1uhu s LYS 31 Cb 0.01 -1.95 -0.24 0.00 -0.52 0.00 0.00 37.83 35.13 1uhu s LYS 31 CO -0.04 0.04 0.65 -0.22 -0.92 0.00 0.00 175.35 174.86 1uhu h LYS 32 N 1.66 0.08 0.08 1.68 3.64 -2.00 -2.60 116.57 119.11 1uhu h LYS 32 Ca -0.43 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 58.81 1uhu h LYS 32 Cb 1.25 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1uhu h LYS 32 CO 0.68 0.72 -0.04 0.78 -2.27 0.00 0.00 179.45 179.33 1uhu h GLY 33 N 2.82 -0.11 1.21 5.01 0.00 -2.00 -1.95 103.07 108.04 1uhu h GLY 33 Ca -0.30 0.04 -0.25 0.00 0.00 0.00 0.00 47.33 46.83 1uhu h GLY 33 CO 0.09 -0.04 -0.94 -0.56 0.00 0.00 0.00 176.54 175.09 1uhu h PRO 34 N -0.17 0.74 -0.91 4.80 0.13 -1.99 -2.19 132.00 132.41 1uhu h PRO 34 Ca -0.01 -0.71 0.21 0.00 -0.87 0.00 0.00 66.00 64.61 1uhu h PRO 34 Cb 0.14 0.18 -0.12 0.00 0.13 0.00 0.00 31.00 31.34 1uhu h PRO 34 CO 0.02 1.30 0.44 2.35 -0.23 0.00 0.00 178.00 181.88 1uhu h TRP 35 N 0.45 0.75 -0.02 1.56 2.91 -1.42 1.26 115.95 121.44 1uhu h TRP 35 Ca -0.10 0.04 -0.02 0.00 1.13 0.00 0.00 58.89 59.94 1uhu h TRP 35 Cb 1.59 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 30.05 1uhu h TRP 35 CO 0.10 0.03 -0.08 -0.09 -1.03 0.00 0.00 178.44 177.37 1uhu h ARG 36 N 0.49 0.08 -0.07 2.65 2.43 -1.32 -2.62 114.38 116.01 1uhu h ARG 36 Ca 0.56 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.70 1uhu h ARG 36 Cb 1.01 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.53 1uhu h ARG 36 CO -0.48 0.71 -0.18 1.15 -1.51 0.00 0.00 179.97 179.66 1uhu h THR 37 N -0.53 0.55 -0.21 0.20 2.02 -0.32 1.08 112.91 115.70 1uhu h THR 37 Ca -0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 1uhu h THR 37 Cb 0.73 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1uhu h THR 37 CO 0.02 0.00 0.16 -0.26 0.37 0.00 0.00 175.52 175.81 1uhu h PHE 38 N -0.26 0.00 -0.63 3.16 0.04 0.14 0.63 116.94 120.02 1uhu h PHE 38 Ca 0.08 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.85 1uhu h PHE 38 Cb 0.37 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.52 1uhu h PHE 38 CO -0.27 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.44 1uhu n ALA 40 N 1.23 0.09 -2.69 0.00 0.00 0.35 -4.61 120.51 114.88 1uhu n ALA 40 Ca 0.23 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1uhu n ALA 40 Cb 0.70 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.20 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 -2.66 0.89 -0.03 0.00 2.88 -0.95 -4.75 113.62 109.00 1uhu n SER 41 Ca -0.01 -2.04 -0.06 0.00 -1.33 0.00 0.00 58.87 55.42 1uhu n SER 41 Cb 0.05 -0.24 -0.02 0.00 -0.75 0.00 0.00 64.21 63.25 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 -0.43 0.14 0.04 -1.46 4.07 -1.22 -4.31 120.64 117.47 1uhu n GLU 42 Ca 0.02 0.06 -0.19 0.00 -0.06 0.00 0.00 57.16 56.98 1uhu n GLU 42 Cb 0.89 -0.74 -0.12 0.00 -0.06 0.00 0.00 31.44 31.41 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 -0.24 0.69 0.00 4.31 6.55 -1.08 -3.08 115.95 123.11 1uhu h TRP 43 Ca -0.14 -0.42 0.00 0.00 0.95 0.00 0.00 58.89 59.27 1uhu h TRP 43 Cb 1.00 -0.06 0.00 0.00 -0.86 0.00 0.00 29.16 29.24 1uhu h TRP 43 CO -0.04 1.27 0.00 -0.35 -1.05 0.00 0.00 178.44 178.28 1uhu n PRO 44 N -4.09 0.75 -0.29 0.49 -0.04 -1.26 -2.25 135.00 128.31 1uhu n PRO 44 Ca -0.12 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.42 1uhu n PRO 44 Cb 0.79 -1.39 0.19 0.00 -0.04 0.00 0.00 33.50 33.04 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 -0.89 2.09 0.67 0.52 -2.24 -1.16 -4.51 114.28 108.75 1uhu n THR 45 Ca 0.14 -2.28 0.11 0.00 -2.27 0.00 0.00 64.05 59.75 1uhu n THR 45 Cb 0.07 -0.25 0.13 0.00 -2.10 0.00 0.00 70.33 68.17 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 -1.11 0.17 -2.91 4.78 3.01 -0.95 -4.94 117.46 115.50 1uhu n PHE 46 Ca 0.19 -0.09 -0.08 0.00 1.01 0.00 0.00 57.45 58.48 1uhu n PHE 46 Cb 0.75 -0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.23 1uhu n PHE 46 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1uhu n ASP 47 N 1.27 -7.57 0.05 4.37 8.00 -1.26 -4.96 116.55 116.45 1uhu n ASP 47 Ca 0.15 0.80 0.00 0.00 0.71 0.00 0.00 54.79 56.44 1uhu n ASP 47 Cb 0.55 -4.54 0.00 0.00 -0.02 0.00 0.00 41.12 37.11 1uhu n ASP 47 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1uhu n VAL 48 N 0.28 0.00 0.00 2.53 0.24 -1.26 -5.05 118.33 115.07 1uhu n VAL 48 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 1uhu n VAL 48 Cb 0.31 -0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.63 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 -1.16 0.00 3.54 7.63 0.00 -1.26 -5.14 105.19 108.79 1uhu n GLY 49 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 3.15 0.77 1.61 -0.11 -1.26 -4.95 118.94 118.15 1uhu s TRP 50 Ca 0.00 -0.17 -0.11 0.00 1.22 0.00 0.00 56.10 57.04 1uhu s TRP 50 Cb 0.00 -2.14 0.05 0.00 -1.50 0.00 0.00 33.47 29.88 1uhu s TRP 50 CO 0.00 -0.09 1.09 -1.25 -4.62 0.00 0.00 176.95 172.08 1uhu s PRO 51 N 0.92 2.35 0.12 5.86 0.04 -1.26 -4.15 135.00 138.88 1uhu s PRO 51 Ca 0.03 0.73 -0.07 0.00 0.04 0.00 0.00 61.00 61.74 1uhu s PRO 51 Cb -0.14 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 1uhu s PRO 51 CO 0.03 -1.46 1.31 -1.00 0.04 0.00 0.00 177.00 175.92 1uhu h PRO 52 N -0.97 0.54 0.00 0.56 0.13 -1.86 -2.99 132.00 127.40 1uhu h PRO 52 Ca -0.46 -0.52 0.00 0.00 -0.87 0.00 0.00 66.00 64.15 1uhu h PRO 52 Cb 1.25 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1uhu h PRO 52 CO 0.59 1.15 0.00 0.39 -0.23 0.00 0.00 178.00 179.90 1uhu n GLU 53 N -3.82 0.13 0.00 0.86 4.71 -1.26 -4.56 120.64 116.70 1uhu n GLU 53 Ca -0.07 0.24 0.00 0.00 -0.01 0.00 0.00 57.16 57.32 1uhu n GLU 53 Cb 0.80 -1.70 0.00 0.00 -1.01 0.00 0.00 31.44 29.53 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 0.67 0.30 3.49 0.62 0.00 -1.13 -1.40 105.19 107.74 1uhu n GLY 54 Ca 0.04 -1.96 -0.17 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.39 0.00 -0.49 2.61 -1.32 -1.26 -4.67 115.64 109.11 1uhu s THR 55 Ca 0.00 -0.02 0.02 0.00 -1.21 0.00 0.00 61.69 60.48 1uhu s THR 55 Cb 0.00 -0.99 0.46 0.00 -1.51 0.00 0.00 72.50 70.46 1uhu s THR 55 CO 0.00 -0.01 1.64 0.49 -2.21 0.00 0.00 174.62 174.53 1uhu n PHE 56 N 0.65 2.97 -3.62 9.09 3.72 -1.26 -4.89 117.46 124.12 1uhu n PHE 56 Ca -0.19 -2.63 -0.40 0.00 -0.05 0.00 0.00 57.45 54.18 1uhu n PHE 56 Cb 0.59 -0.93 -0.11 0.00 -0.94 0.00 0.00 39.48 38.08 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 -2.64 5.67 0.34 4.37 2.15 -1.26 -4.81 116.67 120.49 1uhu s ASP 57 Ca 0.58 -1.05 0.14 0.00 0.43 0.00 0.00 52.55 52.65 1uhu s ASP 57 Cb 0.46 -2.00 1.06 0.00 -0.30 0.00 0.00 42.92 42.14 1uhu s ASP 57 CO 0.01 -0.39 1.68 0.25 -0.17 0.00 0.00 175.17 176.56 1uhu h LEU 58 N 8.40 0.54 -0.03 -1.34 5.85 -1.95 0.65 115.31 127.44 1uhu h LEU 58 Ca -0.25 0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.67 1uhu h LEU 58 Cb 1.10 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 1uhu h LEU 58 CO 0.66 -0.08 -0.10 0.74 -0.34 0.00 0.00 178.44 179.32 1uhu h THR 59 N 0.38 0.74 -0.02 1.05 2.02 -1.98 1.44 112.91 116.53 1uhu h THR 59 Ca 0.71 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.81 1uhu h THR 59 Cb 1.60 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 1uhu h THR 59 CO -0.56 0.00 -0.39 0.58 0.37 0.00 0.00 175.52 175.52 1uhu h VAL 60 N -0.16 1.28 0.18 3.16 2.07 -0.52 -2.46 116.25 119.80 1uhu h VAL 60 Ca 0.05 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 1uhu h VAL 60 Cb 0.22 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1uhu h VAL 60 CO -0.12 0.39 -0.09 0.40 0.02 0.00 0.00 177.57 178.17 1uhu h ILE 61 N 0.03 0.90 -0.32 4.57 2.04 0.11 -2.95 117.51 121.90 1uhu h ILE 61 Ca 0.00 -0.94 0.09 0.00 1.00 0.00 0.00 64.86 65.02 1uhu h ILE 61 Cb 0.70 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 1uhu h ILE 61 CO 0.05 0.20 0.38 -0.26 0.00 0.00 0.00 178.15 178.52 1uhu h PHE 62 N -0.74 0.00 0.18 1.37 -1.00 0.20 0.15 116.94 117.10 1uhu h PHE 62 Ca -0.02 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 1uhu h PHE 62 Cb 0.51 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.07 1uhu h PHE 62 CO 0.06 0.00 -0.08 0.93 -1.61 0.00 0.00 178.31 177.61 1uhu h GLU 63 N 0.00 -0.23 -0.27 1.51 5.08 -1.27 -0.25 114.58 119.16 1uhu h GLU 63 Ca 0.15 0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1uhu h GLU 63 Cb 0.91 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1uhu h GLU 63 CO -0.00 0.08 -0.14 0.28 -1.00 0.00 0.00 179.01 178.23 1uhu h VAL 64 N -0.55 1.30 -0.88 3.13 2.07 -1.05 -2.75 116.25 117.52 1uhu h VAL 64 Ca -0.02 -1.24 0.14 0.00 0.82 0.00 0.00 66.70 66.40 1uhu h VAL 64 Cb 0.42 1.53 -0.07 0.00 -1.52 0.00 0.00 31.29 31.65 1uhu h VAL 64 CO 0.04 0.39 0.57 0.50 0.02 0.00 0.00 177.57 179.09 1uhu h LYS 65 N 0.30 0.65 0.26 1.57 3.64 -0.79 1.01 116.57 123.21 1uhu h LYS 65 Ca 0.06 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1uhu h LYS 65 Cb 0.66 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1uhu h LYS 65 CO 0.04 0.43 -0.19 0.00 -2.27 0.00 0.00 179.45 177.46 1uhu h ALA 66 N 1.60 -0.44 -0.37 5.00 0.00 -0.74 1.46 119.26 125.77 1uhu h ALA 66 Ca 0.44 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 1uhu h ALA 66 Cb 0.72 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1uhu h ALA 66 CO -0.20 -0.77 -0.02 0.82 0.00 0.00 0.00 179.25 179.09 1uhu h ILE 67 N -0.46 1.26 0.12 0.00 5.03 -1.01 -2.51 117.51 119.95 1uhu h ILE 67 Ca -0.02 -1.03 0.01 0.00 -0.12 0.00 0.00 64.86 63.71 1uhu h ILE 67 Cb 0.40 1.19 -0.02 0.00 -3.03 0.00 0.00 36.82 35.36 1uhu h ILE 67 CO -0.00 0.34 -0.16 0.58 -0.68 0.00 0.00 178.15 178.23 1uhu h VAL 68 N 0.48 0.64 -0.46 1.67 2.07 0.13 -2.01 116.25 118.77 1uhu h VAL 68 Ca 0.10 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.33 1uhu h VAL 68 Cb 0.49 0.64 -0.12 0.00 -1.52 0.00 0.00 31.29 30.78 1uhu h VAL 68 CO 0.02 0.00 0.32 0.49 0.02 0.00 0.00 177.57 178.42 1uhu n PHE 69 N -5.28 1.25 -2.07 1.57 3.01 0.50 0.29 117.46 116.73 1uhu n PHE 69 Ca -0.07 -1.80 -0.08 0.00 1.01 0.00 0.00 57.45 56.50 1uhu n PHE 69 Cb 0.20 -0.98 0.05 0.00 -0.01 0.00 0.00 39.48 38.74 1uhu n PHE 69 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1uhu n GLN 70 N 0.69 0.16 -4.06 -1.08 10.64 -0.75 -4.89 117.38 118.08 1uhu n GLN 70 Ca 0.29 -0.82 -0.22 0.00 -1.83 0.00 0.00 57.00 54.42 1uhu n GLN 70 Cb 0.58 -0.28 -0.04 0.00 -0.86 0.00 0.00 30.24 29.64 1uhu n GLN 70 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1uhu s ASP 71 N -2.39 5.76 0.00 2.61 2.15 -1.26 -4.40 116.67 119.14 1uhu s ASP 71 Ca 0.22 -0.16 0.00 0.00 0.43 0.00 0.00 52.55 53.04 1uhu s ASP 71 Cb -0.01 -1.53 0.00 0.00 -0.30 0.00 0.00 42.92 41.08 1uhu s ASP 71 CO 0.15 -0.06 0.00 0.61 -0.17 0.00 0.00 175.17 175.70 1uhu n GLY 72 N -1.26 -2.00 0.00 2.66 0.00 -1.26 -4.15 105.19 99.18 1uhu n GLY 72 Ca -0.08 -1.66 0.11 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.03 0.46 0.08 1.61 -0.04 -1.26 -2.86 135.00 132.97 1uhu n PRO 73 Ca 0.00 0.05 -0.07 0.00 -0.04 0.00 0.00 63.50 63.44 1uhu n PRO 73 Cb 0.00 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.03 1uhu n PRO 73 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1uhu h GLY 74 N 3.73 0.25 -3.79 0.55 0.00 -1.94 -3.46 103.07 98.42 1uhu h GLY 74 Ca 0.00 -0.36 -0.60 0.00 0.00 0.00 0.00 47.33 46.37 1uhu h GLY 74 CO 0.00 0.32 -0.76 -1.14 0.00 0.00 0.00 176.54 174.96 1uhu n SER 75 N -3.79 -2.27 -4.02 0.19 3.41 -1.13 -4.89 113.62 101.12 1uhu n SER 75 Ca -0.03 0.75 -0.33 0.00 -0.26 0.00 0.00 58.87 59.00 1uhu n SER 75 Cb 0.70 -1.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.53 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 -1.77 3.33 -0.12 7.33 3.76 0.15 -4.90 115.29 123.06 1uhu s HIS 76 Ca 0.62 -2.95 0.26 0.00 -0.15 0.00 0.00 55.06 52.85 1uhu s HIS 76 Cb -0.52 -3.00 0.79 0.00 1.11 0.00 0.00 32.58 30.96 1uhu s HIS 76 CO 0.61 -0.80 1.77 -1.00 -0.85 0.00 0.00 174.74 174.46 1uhu h PRO 77 N 6.85 0.00 0.14 8.40 0.13 -1.92 0.57 132.00 146.17 1uhu h PRO 77 Ca -0.05 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.76 1uhu h PRO 77 Cb 0.93 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.06 1uhu h PRO 77 CO 0.69 0.08 -1.55 0.22 -0.23 0.00 0.00 178.00 177.21 1uhu h ASP 78 N 0.00 0.45 1.05 1.44 3.58 -1.97 -3.31 116.42 117.65 1uhu h ASP 78 Ca -0.00 -0.62 0.00 0.00 0.42 0.00 0.00 57.03 56.83 1uhu h ASP 78 Cb 0.81 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.71 1uhu h ASP 78 CO 0.01 1.51 -0.72 1.56 -2.88 0.00 0.00 179.24 178.73 1uhu h GLN 79 N 0.08 0.00 -0.59 0.28 7.50 -1.94 -3.35 115.11 117.08 1uhu h GLN 79 Ca -0.26 0.00 0.12 0.00 0.50 0.00 0.00 58.65 59.02 1uhu h GLN 79 Cb 2.04 0.00 -0.10 0.00 0.05 0.00 0.00 27.48 29.46 1uhu h GLN 79 CO 0.17 0.00 -0.04 1.96 -1.50 0.00 0.00 178.83 179.42 1uhu h GLN 80 N 0.00 0.08 0.00 1.46 4.20 0.07 0.84 115.11 121.76 1uhu h GLN 80 Ca 0.00 -0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 1uhu h GLN 80 Cb 0.88 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.63 1uhu h GLN 80 CO 0.00 0.05 -0.52 -1.00 -0.67 0.00 0.00 178.83 176.69 1uhu h PRO 81 N 0.08 0.00 0.01 1.46 0.13 -1.74 -1.52 132.00 130.42 1uhu h PRO 81 Ca 0.30 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.43 1uhu h PRO 81 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.61 1uhu h PRO 81 CO -0.54 0.52 -0.00 1.88 -0.23 0.00 0.00 178.00 179.63 1uhu h TYR 82 N 0.00 -0.01 -0.17 1.56 -1.99 -0.84 -2.51 116.97 113.00 1uhu h TYR 82 Ca -0.01 -0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.61 1uhu h TYR 82 Cb 1.16 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.88 1uhu h TYR 82 CO 0.00 0.48 -0.38 0.97 -0.00 0.00 0.00 178.16 179.23 1uhu h ILE 83 N -0.51 1.30 -0.44 -2.88 6.09 0.50 -2.96 117.51 118.61 1uhu h ILE 83 Ca -0.00 -1.49 0.05 0.00 -1.37 0.00 0.00 64.86 62.05 1uhu h ILE 83 Cb 0.50 1.59 -0.05 0.00 0.47 0.00 0.00 36.82 39.33 1uhu h ILE 83 CO 0.00 0.46 0.18 0.74 -3.07 0.00 0.00 178.15 176.46 1uhu h THR 84 N 0.32 0.90 -0.55 2.19 2.02 -1.25 -1.48 112.91 115.05 1uhu h THR 84 Ca 0.03 -0.13 0.08 0.00 0.77 0.00 0.00 66.41 67.16 1uhu h THR 84 Cb 0.81 0.50 -0.06 0.00 -1.74 0.00 0.00 68.15 67.66 1uhu h THR 84 CO 0.07 0.07 0.22 0.58 0.37 0.00 0.00 175.52 176.82 1uhu h VAL 85 N 0.37 0.83 -0.41 3.16 2.07 -1.28 0.07 116.25 121.06 1uhu h VAL 85 Ca 0.20 -0.14 0.08 0.00 0.82 0.00 0.00 66.70 67.66 1uhu h VAL 85 Cb 0.17 0.38 -0.08 0.00 -1.52 0.00 0.00 31.29 30.24 1uhu h VAL 85 CO -0.18 0.07 -0.09 -0.50 0.02 0.00 0.00 177.57 176.89 1uhu h TRP 86 N 0.41 -0.19 -0.08 1.57 4.06 -1.25 0.67 115.95 121.14 1uhu h TRP 86 Ca 0.27 0.04 0.03 0.00 2.06 0.00 0.00 58.89 61.29 1uhu h TRP 86 Cb 0.29 0.15 -0.04 0.00 -1.00 0.00 0.00 29.16 28.56 1uhu h TRP 86 CO -0.15 -0.17 -0.16 0.37 -3.56 0.00 0.00 178.44 174.77 1uhu h GLN 87 N 0.01 -0.22 -0.84 0.49 4.15 -0.30 0.06 115.11 118.46 1uhu h GLN 87 Ca 0.20 0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.70 1uhu h GLN 87 Cb 0.30 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 27.97 1uhu h GLN 87 CO -0.41 -0.15 0.51 0.22 -1.93 0.00 0.00 178.83 177.07 1uhu h ASP 88 N -0.23 0.79 0.06 -0.69 1.82 0.22 -1.36 116.42 117.03 1uhu h ASP 88 Ca 0.08 0.02 0.02 0.00 -0.39 0.00 0.00 57.03 56.76 1uhu h ASP 88 Cb 0.34 -0.14 -0.04 0.00 0.68 0.00 0.00 39.33 40.17 1uhu h ASP 88 CO -0.21 0.49 -0.26 -0.07 -1.61 0.00 0.00 179.24 177.59 1uhu h LEU 89 N 0.92 -0.74 -0.18 2.28 3.38 0.14 0.29 115.31 121.40 1uhu h LEU 89 Ca 0.37 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.49 1uhu h LEU 89 Cb 0.21 0.29 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 1uhu h LEU 89 CO -0.19 -0.34 -0.36 0.58 0.09 0.00 0.00 178.44 178.22 1uhu h VAL 90 N -0.43 0.21 -0.08 1.22 2.07 -0.26 -2.06 116.25 116.91 1uhu h VAL 90 Ca 0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.58 1uhu h VAL 90 Cb 0.48 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1uhu h VAL 90 CO -0.18 0.00 -0.21 1.56 0.02 0.00 0.00 177.57 178.76 1uhu h GLN 91 N -0.41 -0.19 -3.57 1.57 4.20 -0.77 -2.84 115.11 113.09 1uhu h GLN 91 Ca 0.10 0.01 -0.76 0.00 0.06 0.00 0.00 58.65 58.06 1uhu h GLN 91 Cb 0.58 0.04 -0.18 0.00 0.30 0.00 0.00 27.48 28.22 1uhu h GLN 91 CO -0.41 -0.13 1.70 0.09 -0.67 0.00 0.00 178.83 179.41 1uhu n ASN 92 N -3.67 5.33 -4.56 1.46 3.02 0.05 -4.97 115.26 111.92 1uhu n ASN 92 Ca -0.02 -3.14 -0.45 0.00 -0.03 0.00 0.00 54.58 50.94 1uhu n ASN 92 Cb 0.14 -1.45 -0.04 0.00 -0.61 0.00 0.00 39.78 37.81 1uhu n ASN 92 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1uhu n SER 93 N 3.65 2.92 -4.80 6.41 3.41 -0.81 -4.74 113.62 119.67 1uhu n SER 93 Ca 0.37 0.24 -0.30 0.00 -0.26 0.00 0.00 58.87 58.92 1uhu n SER 93 Cb 0.37 -1.48 0.10 0.00 -0.26 0.00 0.00 64.21 62.94 1uhu n SER 93 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1uhu s PRO 94 N 6.38 1.88 0.41 4.33 0.04 -1.26 -4.80 135.00 141.97 1uhu s PRO 94 Ca 1.03 0.56 0.22 0.00 0.04 0.00 0.00 61.00 62.85 1uhu s PRO 94 Cb -0.48 -1.90 0.64 0.00 0.04 0.00 0.00 34.50 32.80 1uhu s PRO 94 CO 0.39 -1.75 1.70 -1.00 0.04 0.00 0.00 177.00 176.38 1uhu h PRO 95 N -1.18 0.00 0.00 0.56 0.13 -1.92 0.18 132.00 129.77 1uhu h PRO 95 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1uhu h PRO 95 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1uhu h PRO 95 CO 0.60 0.24 0.00 -2.67 -0.23 0.00 0.00 178.00 175.94 1uhu n TRP 96 N -3.27 0.00 -0.05 1.56 4.27 -1.26 -3.99 117.44 114.69 1uhu n TRP 96 Ca 0.01 0.00 -0.06 0.00 -3.89 0.00 0.00 57.50 53.56 1uhu n TRP 96 Cb 0.52 -0.48 -0.02 0.00 -1.36 0.00 0.00 31.31 29.96 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 -1.48 1.33 -3.09 -1.67 5.41 -0.90 -4.94 119.36 114.01 1uhu n ILE 97 Ca 0.08 0.22 -0.40 0.00 1.00 0.00 0.00 62.75 63.64 1uhu n ILE 97 Cb 0.33 -2.10 -0.06 0.00 -0.71 0.00 0.00 39.64 37.10 1uhu n ILE 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1uhu s LYS 98 N -2.56 4.17 -0.12 0.38 0.00 0.60 -4.97 119.74 117.23 1uhu s LYS 98 Ca -0.20 0.62 0.01 0.00 0.00 0.00 0.00 55.97 56.40 1uhu s LYS 98 Cb 0.03 -3.61 -0.01 0.00 0.00 0.00 0.00 37.83 34.23 1uhu s LYS 98 CO 0.30 -0.34 -0.16 -1.54 0.00 0.00 0.00 175.35 173.62 1uhu s SER 99 N 1.33 3.80 -0.06 0.03 1.04 -1.26 -4.44 113.70 114.14 1uhu s SER 99 Ca 0.28 -0.38 -0.30 0.00 0.48 0.00 0.00 55.95 56.04 1uhu s SER 99 Cb -0.16 -1.55 -0.05 0.00 0.10 0.00 0.00 66.02 64.37 1uhu s SER 99 CO 0.09 0.17 1.49 -0.83 0.98 0.00 0.00 173.24 175.14 1uhu s GLY 100 N 0.32 1.65 -1.21 7.32 0.00 -1.26 -4.88 107.32 109.26 1uhu s GLY 100 Ca -0.12 0.82 -0.09 0.00 0.00 0.00 0.00 44.72 45.33 1uhu s GLY 100 CO 0.06 2.76 2.44 -1.55 0.00 0.00 0.00 173.10 176.81 1uhu n PRO 101 N 6.44 2.72 0.00 2.90 -0.04 -1.26 -4.33 135.00 141.43 1uhu n PRO 101 Ca 0.15 -1.82 0.00 0.00 -0.04 0.00 0.00 63.50 61.80 1uhu n PRO 101 Cb 0.43 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 1uhu n PRO 101 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1uhu n SER 102 N 4.22 0.00 -3.67 3.54 7.64 -1.26 -5.11 113.62 118.98 1uhu n SER 102 Ca 0.58 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 60.35 1uhu n SER 102 Cb 0.19 -0.20 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1uhu n SER 102 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1uhu s SER 103 N -2.31 -0.23 0.00 6.43 0.01 -1.26 -5.33 113.70 111.00 1uhu s SER 103 Ca 0.00 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.10 1uhu s SER 103 Cb 0.00 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.66 1uhu s SER 103 CO 0.00 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.53