#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 6.99 -0.30 1.61 1.04 -1.26 -4.97 113.70 116.80 1uhu s SER 1 Ca 0.00 1.82 -0.09 0.00 0.48 0.00 0.00 55.95 58.16 1uhu s SER 1 Cb 0.00 -2.55 0.17 0.00 0.10 0.00 0.00 66.02 63.74 1uhu s SER 1 CO 0.00 -0.66 0.82 -0.94 0.98 0.00 0.00 173.24 173.44 1uhu s SER 2 N 1.72 -0.91 -0.02 7.02 1.04 -1.26 -5.17 113.70 116.12 1uhu s SER 2 Ca 0.57 0.80 -0.30 0.00 0.48 0.00 0.00 55.95 57.50 1uhu s SER 2 Cb -0.25 1.86 0.11 0.00 0.10 0.00 0.00 66.02 67.84 1uhu s SER 2 CO 0.20 -0.17 0.98 -0.83 0.98 0.00 0.00 173.24 174.40 1uhu s GLY 3 N 2.80 -0.40 -0.54 7.32 0.00 -1.26 -5.10 107.32 110.14 1uhu s GLY 3 Ca 0.05 1.01 0.06 0.00 0.00 0.00 0.00 44.72 45.84 1uhu s GLY 3 CO -0.17 0.32 0.54 -1.14 0.00 0.00 0.00 173.10 172.65 1uhu n SER 4 N -0.25 1.72 -3.60 1.64 3.41 -1.26 -5.06 113.62 110.22 1uhu n SER 4 Ca -0.07 -2.96 -0.08 0.00 -0.26 0.00 0.00 58.87 55.50 1uhu n SER 4 Cb 0.61 -0.66 -0.05 0.00 -0.26 0.00 0.00 64.21 63.85 1uhu n SER 4 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1uhu s SER 5 N -1.33 -0.30 0.42 4.04 0.15 -1.26 -5.14 113.70 110.28 1uhu s SER 5 Ca 0.33 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.36 1uhu s SER 5 Cb 0.08 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1uhu s SER 5 CO -0.12 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.69 1uhu n GLY 6 N 0.92 -4.86 3.73 9.45 0.00 -1.26 -5.02 105.19 108.16 1uhu n GLY 6 Ca -0.09 -0.54 -0.22 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.47 3.72 -0.02 2.61 -4.23 -1.26 -5.04 115.64 108.95 1uhu s THR 7 Ca 0.00 -1.67 -0.22 0.00 -1.18 0.00 0.00 61.69 58.62 1uhu s THR 7 Cb 0.00 -3.08 -0.22 0.00 1.34 0.00 0.00 72.50 70.54 1uhu s THR 7 CO 0.00 -0.32 1.10 1.55 -0.54 0.00 0.00 174.62 176.41 1uhu h PRO 8 N 1.65 0.28 -0.89 3.99 0.13 -1.85 -0.14 132.00 135.17 1uhu h PRO 8 Ca -0.46 -0.27 0.11 0.00 -0.87 0.00 0.00 66.00 64.51 1uhu h PRO 8 Cb 1.25 0.07 -0.08 0.00 0.13 0.00 0.00 31.00 32.37 1uhu h PRO 8 CO 0.61 0.96 0.53 1.25 -0.23 0.00 0.00 178.00 181.11 1uhu h LEU 9 N -0.30 0.76 -0.15 1.56 5.85 -1.76 1.12 115.31 122.39 1uhu h LEU 9 Ca -0.04 0.05 -0.19 0.00 0.84 0.00 0.00 57.88 58.54 1uhu h LEU 9 Cb 1.06 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 42.00 1uhu h LEU 9 CO 0.07 0.41 -0.65 -1.28 -0.34 0.00 0.00 178.44 176.65 1uhu h SER 10 N 0.85 0.83 -0.69 1.25 0.87 -1.82 0.12 113.55 114.96 1uhu h SER 10 Ca 0.44 -0.62 -0.04 0.00 -1.23 0.00 0.00 61.79 60.34 1uhu h SER 10 Cb 0.43 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 1uhu h SER 10 CO -0.26 1.32 0.29 -0.07 -0.53 0.00 0.00 176.83 177.58 1uhu h LEU 11 N 0.39 0.96 0.16 2.23 3.38 0.29 0.44 115.31 123.16 1uhu h LEU 11 Ca -0.04 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1uhu h LEU 11 Cb 1.29 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1uhu h LEU 11 CO 0.14 0.84 -0.08 0.71 0.09 0.00 0.00 178.44 180.14 1uhu h THR 12 N 1.02 0.86 -0.79 0.22 1.35 0.13 -2.42 112.91 113.28 1uhu h THR 12 Ca 0.24 -1.11 0.10 0.00 -0.55 0.00 0.00 66.41 65.09 1uhu h THR 12 Cb 0.18 1.44 -0.05 0.00 -1.73 0.00 0.00 68.15 67.99 1uhu h THR 12 CO -0.02 0.22 0.52 -0.07 -0.25 0.00 0.00 175.52 175.91 1uhu h LEU 13 N -0.84 0.63 -0.95 3.87 3.38 -0.66 0.23 115.31 120.97 1uhu h LEU 13 Ca -0.02 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1uhu h LEU 13 Cb 0.53 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1uhu h LEU 13 CO 0.04 0.37 0.27 0.44 0.09 0.00 0.00 178.44 179.65 1uhu h ASP 14 N 0.69 0.95 -0.89 -0.43 5.19 -0.11 -2.31 116.42 119.51 1uhu h ASP 14 Ca 0.37 -0.14 -0.61 0.00 -0.62 0.00 0.00 57.03 56.03 1uhu h ASP 14 Cb 0.49 -0.25 -0.33 0.00 0.18 0.00 0.00 39.33 39.43 1uhu h ASP 14 CO -0.14 0.85 0.27 1.41 -3.12 0.00 0.00 179.24 178.51 1uhu n HIS 15 N -4.29 2.96 -0.34 4.55 8.25 0.55 -4.69 115.22 122.21 1uhu n HIS 15 Ca 0.06 -2.65 0.24 0.00 -0.26 0.00 0.00 57.72 55.11 1uhu n HIS 15 Cb 0.18 -1.03 0.50 0.00 1.12 0.00 0.00 29.99 30.76 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 1.96 0.73 -0.87 4.41 -0.00 -0.20 1.07 115.95 123.06 1uhu h TRP 16 Ca 0.51 0.03 0.12 0.00 -0.00 0.00 0.00 58.89 59.55 1uhu h TRP 16 Cb 1.18 -0.21 -0.08 0.00 -0.00 0.00 0.00 29.16 30.05 1uhu h TRP 16 CO 1.24 0.01 0.49 1.03 -0.00 0.00 0.00 178.44 181.21 1uhu h SER 17 N 0.39 0.68 -0.34 2.65 0.87 -1.85 0.48 113.55 116.43 1uhu h SER 17 Ca 0.64 0.06 -0.11 0.00 -1.23 0.00 0.00 61.79 61.16 1uhu h SER 17 Cb 1.60 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.49 1uhu h SER 17 CO -0.37 0.35 -0.22 -0.08 -0.53 0.00 0.00 176.83 175.98 1uhu h GLU 18 N 0.77 0.75 -0.62 2.24 4.57 0.81 -0.87 114.58 122.23 1uhu h GLU 18 Ca 0.44 -0.35 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 1uhu h GLU 18 Cb 0.49 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.04 1uhu h GLU 18 CO -0.29 0.97 0.29 0.82 -1.18 0.00 0.00 179.01 179.62 1uhu h ILE 19 N 0.53 1.21 -0.05 2.32 1.08 -0.23 -0.73 117.51 121.62 1uhu h ILE 19 Ca 0.07 -0.59 -0.13 0.00 -0.39 0.00 0.00 64.86 63.82 1uhu h ILE 19 Cb 0.77 0.42 -0.01 0.00 -3.07 0.00 0.00 36.82 34.93 1uhu h ILE 19 CO 0.06 0.25 -0.56 0.03 -0.69 0.00 0.00 178.15 177.24 1uhu h ARG 20 N 0.88 0.16 -0.22 2.37 3.08 0.11 -2.73 114.38 118.02 1uhu h ARG 20 Ca 0.22 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 1uhu h ARG 20 Cb 0.11 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1uhu h ARG 20 CO -0.03 0.68 -0.05 1.03 -1.07 0.00 0.00 179.97 180.53 1uhu h SER 21 N 0.12 0.44 0.02 7.04 0.87 -0.07 -1.69 113.55 120.28 1uhu h SER 21 Ca -0.00 -0.37 -0.01 0.00 -1.23 0.00 0.00 61.79 60.19 1uhu h SER 21 Cb 1.02 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1uhu h SER 21 CO 0.08 0.70 -0.02 0.03 -0.53 0.00 0.00 176.83 177.09 1uhu h ARG 22 N 0.16 0.00 -0.21 2.24 2.47 -1.11 0.04 114.38 117.97 1uhu h ARG 22 Ca 0.06 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.58 1uhu h ARG 22 Cb 0.51 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.84 1uhu h ARG 22 CO 0.02 0.02 -0.62 0.00 0.56 0.00 0.00 179.97 179.96 1uhu h ALA 23 N 1.98 0.36 -0.29 0.04 0.00 -1.17 -0.87 119.26 119.32 1uhu h ALA 23 Ca -0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 1uhu h ALA 23 Cb 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1uhu h ALA 23 CO 0.00 0.63 0.09 1.25 0.00 0.00 0.00 179.25 181.22 1uhu h HIS 24 N 0.55 0.46 0.00 0.00 6.17 -0.29 1.64 115.15 123.68 1uhu h HIS 24 Ca -0.02 -0.05 -0.04 0.00 0.71 0.00 0.00 60.37 60.97 1uhu h HIS 24 Cb 1.24 -0.13 -0.01 0.00 2.52 0.00 0.00 27.41 31.03 1uhu h HIS 24 CO 0.08 0.49 -0.21 -0.97 0.71 0.00 0.00 177.93 178.03 1uhu h ASN 25 N 0.30 0.00 0.70 3.26 -0.73 -1.03 -0.37 115.58 117.71 1uhu h ASN 25 Ca 0.09 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.26 1uhu h ASN 25 Cb 0.25 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.84 1uhu h ASN 25 CO -0.00 0.21 -0.56 0.18 -0.37 0.00 0.00 177.43 176.89 1uhu n LEU 26 N -4.00 0.58 -1.71 0.34 4.77 -0.34 -4.95 117.00 111.69 1uhu n LEU 26 Ca -0.02 0.14 -0.07 0.00 -0.03 0.00 0.00 56.01 56.02 1uhu n LEU 26 Cb 0.29 -0.22 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1uhu n LEU 26 CO 0.35 0.03 0.07 -0.24 -1.33 0.00 0.00 177.39 176.26 1uhu n SER 27 N -1.82 -2.92 -4.14 -1.43 2.88 0.32 -5.03 113.62 101.48 1uhu n SER 27 Ca 0.04 -0.20 -0.09 0.00 -1.33 0.00 0.00 58.87 57.29 1uhu n SER 27 Cb 0.39 -2.13 -0.10 0.00 -0.75 0.00 0.00 64.21 61.63 1uhu n SER 27 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1uhu s VAL 28 N -3.12 0.49 -0.00 2.46 -7.23 0.48 -4.98 120.40 108.49 1uhu s VAL 28 Ca 0.12 -1.88 0.07 0.00 -1.81 0.00 0.00 61.98 58.48 1uhu s VAL 28 Cb -0.05 -1.63 -0.02 0.00 0.56 0.00 0.00 36.38 35.24 1uhu s VAL 28 CO 0.26 -0.91 -0.21 -0.70 -0.31 0.00 0.00 175.10 173.22 1uhu s GLU 29 N -3.87 1.65 0.11 4.82 2.12 -1.26 -3.68 118.70 118.59 1uhu s GLU 29 Ca 0.10 -0.80 -0.06 0.00 0.36 0.00 0.00 54.97 54.57 1uhu s GLU 29 Cb 0.06 -1.63 -0.02 0.00 0.26 0.00 0.00 34.13 32.80 1uhu s GLU 29 CO -0.07 0.44 0.15 0.96 -0.54 0.00 0.00 175.26 176.20 1uhu s ILE 30 N -0.57 0.13 0.36 -3.70 -4.36 -1.26 -4.93 121.20 106.86 1uhu s ILE 30 Ca 0.08 -1.52 0.08 0.00 -0.26 0.00 0.00 60.65 59.04 1uhu s ILE 30 Cb -0.08 -1.67 -0.05 0.00 1.25 0.00 0.00 42.46 41.91 1uhu s ILE 30 CO -0.00 -0.58 0.12 -0.54 0.24 0.00 0.00 174.94 174.19 1uhu s LYS 31 N -3.94 2.27 0.04 0.37 1.02 -1.26 -5.02 119.74 113.22 1uhu s LYS 31 Ca 0.13 -1.66 0.23 0.00 0.02 0.00 0.00 55.97 54.70 1uhu s LYS 31 Cb 0.06 -2.08 0.18 0.00 -0.52 0.00 0.00 37.83 35.47 1uhu s LYS 31 CO -0.05 0.07 1.16 1.17 -0.92 0.00 0.00 175.35 176.77 1uhu n LYS 32 N -1.13 0.19 -0.07 1.68 4.81 -1.26 -2.78 118.16 119.60 1uhu n LYS 32 Ca -0.03 0.01 -0.14 0.00 -0.87 0.00 0.00 58.31 57.28 1uhu n LYS 32 Cb 0.62 -1.58 -0.13 0.00 0.02 0.00 0.00 35.03 33.97 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 4.69 0.00 1.35 3.14 0.00 -2.00 -3.28 103.07 106.98 1uhu h GLY 33 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 1uhu h GLY 33 CO 0.00 0.00 -0.91 -0.56 0.00 0.00 0.00 176.54 175.07 1uhu h PRO 34 N -1.00 0.60 -1.01 4.80 0.13 -1.99 -2.31 132.00 131.22 1uhu h PRO 34 Ca -0.03 -0.58 0.24 0.00 -0.87 0.00 0.00 66.00 64.76 1uhu h PRO 34 Cb 1.01 0.15 -0.11 0.00 0.13 0.00 0.00 31.00 32.17 1uhu h PRO 34 CO -0.02 1.20 0.62 2.35 -0.23 0.00 0.00 178.00 181.92 1uhu h TRP 35 N 0.37 0.92 0.02 1.56 2.91 -1.68 1.05 115.95 121.10 1uhu h TRP 35 Ca -0.08 0.03 -0.07 0.00 1.13 0.00 0.00 58.89 59.90 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 0.10 -0.29 -0.09 -1.03 0.00 0.00 178.44 177.21 1uhu h ARG 36 N 0.56 0.16 -0.09 2.65 2.43 -1.60 -2.89 114.38 115.61 1uhu h ARG 36 Ca 0.62 -0.20 0.04 0.00 -0.81 0.00 0.00 59.98 59.62 1uhu h ARG 36 Cb 1.24 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.81 1uhu h ARG 36 CO -0.40 0.98 -0.17 1.15 -1.51 0.00 0.00 179.97 180.02 1uhu h THR 37 N -0.57 0.57 -0.15 0.20 2.02 -0.33 1.13 112.91 115.78 1uhu h THR 37 Ca -0.04 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.18 1uhu h THR 37 Cb 1.09 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1uhu h THR 37 CO 0.06 0.00 0.12 -0.26 0.37 0.00 0.00 175.52 175.80 1uhu h PHE 38 N -0.23 0.00 -0.57 3.16 0.04 0.91 0.48 116.94 120.73 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 0.35 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.50 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 0.90 0.72 -2.53 0.00 0.00 0.37 -4.66 120.51 115.31 1uhu n ALA 40 Ca 0.24 -0.69 -0.02 0.00 0.00 0.00 0.00 53.44 52.97 1uhu n ALA 40 Cb 0.82 0.02 0.05 0.00 0.00 0.00 0.00 19.45 20.35 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 -4.37 -0.27 -0.03 0.00 2.88 -0.94 -4.81 113.62 106.08 1uhu n SER 41 Ca -0.11 -2.09 -0.06 0.00 -1.33 0.00 0.00 58.87 55.28 1uhu n SER 41 Cb 0.43 0.17 -0.02 0.00 -0.75 0.00 0.00 64.21 64.04 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 -0.67 0.13 0.01 -1.46 4.07 -1.20 -4.31 120.64 117.21 1uhu n GLU 42 Ca -0.11 0.05 -0.18 0.00 -0.06 0.00 0.00 57.16 56.87 1uhu n GLU 42 Cb 0.86 -0.71 -0.11 0.00 -0.06 0.00 0.00 31.44 31.42 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 -0.21 0.66 0.00 4.31 6.55 -0.90 -2.98 115.95 123.37 1uhu h TRP 43 Ca -0.14 -0.36 0.00 0.00 0.95 0.00 0.00 58.89 59.34 1uhu h TRP 43 Cb 1.07 -0.07 0.00 0.00 -0.86 0.00 0.00 29.16 29.30 1uhu h TRP 43 CO -0.02 1.18 0.00 -0.35 -1.05 0.00 0.00 178.44 178.20 1uhu n PRO 44 N -4.18 0.75 -0.08 0.49 -0.04 -1.26 -2.10 135.00 128.59 1uhu n PRO 44 Ca -0.10 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.42 1uhu n PRO 44 Cb 0.70 -1.41 0.10 0.00 -0.04 0.00 0.00 33.50 32.85 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 -0.91 1.57 0.19 0.52 -2.24 -1.14 -4.56 114.28 107.71 1uhu n THR 45 Ca 0.15 -1.74 0.11 0.00 -2.27 0.00 0.00 64.05 60.30 1uhu n THR 45 Cb 0.07 0.05 -0.00 0.00 -2.10 0.00 0.00 70.33 68.34 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 -0.96 0.72 -1.61 4.78 3.01 -0.89 -4.95 117.46 117.56 1uhu n PHE 46 Ca 0.11 0.21 -0.00 0.00 1.01 0.00 0.00 57.45 58.77 1uhu n PHE 46 Cb 0.51 -0.81 0.00 0.00 -0.01 0.00 0.00 39.48 39.17 1uhu n PHE 46 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1uhu n ASP 47 N -2.49 -2.52 0.00 4.37 2.03 -1.26 -5.03 116.55 111.65 1uhu n ASP 47 Ca -0.00 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.39 1uhu n ASP 47 Cb 0.53 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.55 1uhu n ASP 47 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1uhu n VAL 48 N -0.24 0.00 0.00 5.18 0.24 -1.26 -5.05 118.33 117.21 1uhu n VAL 48 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1uhu n VAL 48 Cb 0.02 -0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.39 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 -1.49 0.23 3.56 7.63 0.00 -1.26 -5.09 105.19 108.76 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 -0.41 3.18 0.76 1.61 -0.11 -1.26 -4.94 118.94 117.77 1uhu s TRP 50 Ca 0.00 -0.11 -0.11 0.00 1.22 0.00 0.00 56.10 57.10 1uhu s TRP 50 Cb 0.00 -2.16 0.05 0.00 -1.50 0.00 0.00 33.47 29.86 1uhu s TRP 50 CO 0.00 -0.06 1.08 -1.25 -4.62 0.00 0.00 176.95 172.10 1uhu s PRO 51 N 0.94 2.37 0.48 5.86 0.04 -1.26 -4.11 135.00 139.32 1uhu s PRO 51 Ca 0.04 0.74 0.27 0.00 0.04 0.00 0.00 61.00 62.10 1uhu s PRO 51 Cb -0.14 -1.94 0.82 0.00 0.04 0.00 0.00 34.50 33.28 1uhu s PRO 51 CO 0.03 -1.44 1.78 -1.00 0.04 0.00 0.00 177.00 176.41 1uhu h PRO 52 N -0.96 0.00 0.00 0.56 0.13 -1.87 -2.97 132.00 126.88 1uhu h PRO 52 Ca -0.46 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.52 1uhu h PRO 52 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 1uhu h PRO 52 CO 0.58 0.05 -1.21 0.93 -0.23 0.00 0.00 178.00 178.12 1uhu h GLU 53 N 0.00 0.00 0.00 0.86 3.07 -1.92 -3.43 114.58 113.16 1uhu h GLU 53 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1uhu h GLU 53 Cb 0.79 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 1uhu h GLU 53 CO 0.01 0.35 0.00 0.41 -1.40 0.00 0.00 179.01 178.38 1uhu n GLY 54 N 1.36 1.51 3.61 -3.84 0.00 -1.12 -2.11 105.19 104.59 1uhu n GLY 54 Ca -0.07 -2.10 -0.13 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.73 0.00 -0.62 2.61 -1.32 -1.26 -4.69 115.64 108.63 1uhu s THR 55 Ca 0.00 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.47 1uhu s THR 55 Cb 0.00 -1.00 0.46 0.00 -1.51 0.00 0.00 72.50 70.45 1uhu s THR 55 CO 0.00 0.00 2.02 0.49 -2.21 0.00 0.00 174.62 174.92 1uhu n PHE 56 N 2.10 3.10 -3.44 9.09 3.72 -1.26 -4.81 117.46 125.95 1uhu n PHE 56 Ca -0.14 -2.82 -0.43 0.00 -0.05 0.00 0.00 57.45 54.01 1uhu n PHE 56 Cb 0.56 -1.36 -0.10 0.00 -0.94 0.00 0.00 39.48 37.64 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 -1.63 6.12 0.39 4.37 2.15 -1.26 -4.79 116.67 122.02 1uhu s ASP 57 Ca 0.62 -0.94 0.20 0.00 0.43 0.00 0.00 52.55 52.85 1uhu s ASP 57 Cb 0.49 -2.17 1.15 0.00 -0.30 0.00 0.00 42.92 42.09 1uhu s ASP 57 CO 0.01 -0.48 1.72 0.25 -0.17 0.00 0.00 175.17 176.49 1uhu h LEU 58 N 8.67 0.43 0.09 -1.34 5.85 -1.95 0.74 115.31 127.81 1uhu h LEU 58 Ca -0.27 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1uhu h LEU 58 Cb 1.12 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1uhu h LEU 58 CO 0.75 -0.01 -0.09 0.74 -0.34 0.00 0.00 178.44 179.50 1uhu h THR 59 N 0.33 0.80 -0.15 1.05 2.02 -1.98 1.25 112.91 116.23 1uhu h THR 59 Ca 0.67 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.74 1uhu h THR 59 Cb 1.75 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.95 1uhu h THR 59 CO -0.39 0.00 -0.39 0.58 0.37 0.00 0.00 175.52 175.69 1uhu h VAL 60 N -0.20 1.30 0.24 3.16 2.07 -0.64 -2.32 116.25 119.86 1uhu h VAL 60 Ca 0.00 -1.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.02 1uhu h VAL 60 Cb 0.19 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1uhu h VAL 60 CO -0.02 0.45 -0.12 0.40 0.02 0.00 0.00 177.57 178.30 1uhu h ILE 61 N 0.27 0.81 -0.27 4.57 2.04 0.86 -2.67 117.51 123.12 1uhu h ILE 61 Ca 0.03 -0.62 0.08 0.00 1.00 0.00 0.00 64.86 65.35 1uhu h ILE 61 Cb 0.81 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 1uhu h ILE 61 CO 0.06 0.13 0.28 -0.26 0.00 0.00 0.00 178.15 178.37 1uhu h PHE 62 N -0.66 0.00 0.14 1.37 -1.00 0.16 0.20 116.94 117.16 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 0.46 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.03 1uhu h PHE 62 CO 0.03 0.00 -0.07 0.93 -1.61 0.00 0.00 178.31 177.59 1uhu h GLU 63 N 0.00 -0.19 -0.50 1.51 4.39 -1.09 0.21 114.58 118.90 1uhu h GLU 63 Ca 0.13 0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.72 1uhu h GLU 63 Cb 0.69 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 1uhu h GLU 63 CO -0.00 0.16 -0.16 0.28 -1.16 0.00 0.00 179.01 178.13 1uhu h VAL 64 N -0.56 1.27 -0.47 3.13 2.07 -0.95 -2.55 116.25 118.19 1uhu h VAL 64 Ca -0.02 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.16 1uhu h VAL 64 Cb 0.43 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1uhu h VAL 64 CO 0.03 0.46 0.19 0.50 0.02 0.00 0.00 177.57 178.77 1uhu h LYS 65 N 0.86 0.67 0.28 1.57 3.64 -0.64 0.42 116.57 123.37 1uhu h LYS 65 Ca 0.12 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1uhu h LYS 65 Cb 0.73 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1uhu h LYS 65 CO 0.06 0.55 -0.19 0.00 -2.27 0.00 0.00 179.45 177.59 1uhu h ALA 66 N 1.55 -0.46 -0.54 5.00 0.00 -0.18 1.57 119.26 126.19 1uhu h ALA 66 Ca 0.16 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1uhu h ALA 66 Cb 0.13 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1uhu h ALA 66 CO -0.02 -0.77 0.05 0.82 0.00 0.00 0.00 179.25 179.33 1uhu h ILE 67 N -0.47 1.26 0.04 0.00 2.04 -1.17 -2.22 117.51 116.98 1uhu h ILE 67 Ca -0.02 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 64.81 1uhu h ILE 67 Cb 0.40 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1uhu h ILE 67 CO 0.01 0.37 -0.02 0.58 0.00 0.00 0.00 178.15 179.09 1uhu h VAL 68 N 0.80 0.97 -0.60 1.67 2.07 0.20 -2.40 116.25 118.96 1uhu h VAL 68 Ca 0.16 -0.02 -0.37 0.00 0.82 0.00 0.00 66.70 67.28 1uhu h VAL 68 Cb 0.46 0.98 -0.15 0.00 -1.52 0.00 0.00 31.29 31.06 1uhu h VAL 68 CO 0.02 0.01 0.44 0.49 0.02 0.00 0.00 177.57 178.54 1uhu n PHE 69 N -5.11 1.65 -1.87 1.57 3.01 0.53 0.68 117.46 117.93 1uhu n PHE 69 Ca -0.07 -2.03 -0.11 0.00 1.01 0.00 0.00 57.45 56.24 1uhu n PHE 69 Cb 0.06 -1.06 0.07 0.00 -0.01 0.00 0.00 39.48 38.54 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 0.36 -0.14 -4.26 -1.08 10.64 -0.85 -4.89 117.38 117.16 1uhu n GLN 70 Ca 0.35 -1.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.17 1uhu n GLN 70 Cb 0.58 -0.44 -0.09 0.00 -0.86 0.00 0.00 30.24 29.44 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 -2.89 5.49 0.00 2.61 -1.08 -1.26 -4.41 116.67 115.13 1uhu s ASP 71 Ca 0.30 0.21 0.00 0.00 -0.52 0.00 0.00 52.55 52.54 1uhu s ASP 71 Cb -0.01 -1.61 0.00 0.00 -1.46 0.00 0.00 42.92 39.83 1uhu s ASP 71 CO 0.21 0.38 0.00 0.61 0.52 0.00 0.00 175.17 176.88 1uhu n GLY 72 N 2.15 -1.31 0.00 2.66 0.00 -1.26 -4.46 105.19 102.96 1uhu n GLY 72 Ca -0.19 -2.10 0.11 0.00 0.00 0.00 0.00 46.02 43.84 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 0.00 0.49 0.05 1.61 -0.04 -1.26 -2.91 135.00 132.94 1uhu n PRO 73 Ca 0.00 0.04 -0.09 0.00 -0.04 0.00 0.00 63.50 63.41 1uhu n PRO 73 Cb 0.00 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.00 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 3.75 0.44 -3.49 0.55 0.00 -1.93 -3.45 103.07 98.94 1uhu h GLY 74 Ca 0.00 -0.61 -0.59 0.00 0.00 0.00 0.00 47.33 46.13 1uhu h GLY 74 CO 0.00 0.54 -0.43 -1.14 0.00 0.00 0.00 176.54 175.51 1uhu n SER 75 N -3.85 -1.11 -4.08 0.19 3.41 -1.15 -4.85 113.62 102.19 1uhu n SER 75 Ca -0.04 0.80 -0.35 0.00 -0.26 0.00 0.00 58.87 59.01 1uhu n SER 75 Cb 0.69 -1.14 -0.11 0.00 -0.26 0.00 0.00 64.21 63.40 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 -1.65 3.47 -0.66 7.33 3.76 0.22 -4.90 115.29 122.86 1uhu s HIS 76 Ca 0.66 -2.67 0.25 0.00 -0.15 0.00 0.00 55.06 53.14 1uhu s HIS 76 Cb -0.50 -3.16 0.90 0.00 1.11 0.00 0.00 32.58 30.94 1uhu s HIS 76 CO 0.57 -0.89 1.74 -0.35 -0.85 0.00 0.00 174.74 174.96 1uhu n PRO 77 N 3.89 0.20 0.01 8.40 -0.04 -1.26 0.27 135.00 146.47 1uhu n PRO 77 Ca 0.04 0.29 -0.18 0.00 -0.04 0.00 0.00 63.50 63.61 1uhu n PRO 77 Cb 0.39 -1.80 -0.14 0.00 -0.04 0.00 0.00 33.50 31.91 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 0.34 1.03 3.54 3.32 -1.97 -3.35 116.42 119.32 1uhu h ASP 78 Ca 0.00 -0.70 0.00 0.00 0.02 0.00 0.00 57.03 56.35 1uhu h ASP 78 Cb 0.53 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1uhu h ASP 78 CO 0.00 1.62 -0.70 1.56 -1.72 0.00 0.00 179.24 180.00 1uhu h GLN 79 N 0.06 0.00 -0.61 3.56 4.20 -1.94 -3.36 115.11 117.02 1uhu h GLN 79 Ca -0.37 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.47 1uhu h GLN 79 Cb 2.03 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 29.71 1uhu h GLN 79 CO 0.10 0.00 -0.03 1.96 -0.67 0.00 0.00 178.83 180.19 1uhu h GLN 80 N 0.00 0.09 0.00 1.46 4.20 -0.32 1.40 115.11 121.94 1uhu h GLN 80 Ca 0.00 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1uhu h GLN 80 Cb 0.87 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 1uhu h GLN 80 CO 0.00 0.06 -0.23 -1.00 -0.67 0.00 0.00 178.83 176.99 1uhu h PRO 81 N 0.09 0.00 0.00 1.46 0.13 -1.77 -1.38 132.00 130.54 1uhu h PRO 81 Ca 0.31 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.44 1uhu h PRO 81 Cb 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 1uhu h PRO 81 CO -0.54 0.23 -0.02 1.88 -0.23 0.00 0.00 178.00 179.32 1uhu h TYR 82 N 0.00 0.02 0.00 1.56 -1.99 -0.54 -2.98 116.97 113.03 1uhu h TYR 82 Ca -0.00 -0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.63 1uhu h TYR 82 Cb 0.93 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.64 1uhu h TYR 82 CO 0.00 0.87 -0.41 0.97 -0.00 0.00 0.00 178.16 179.58 1uhu h ILE 83 N -0.84 1.27 0.25 -2.88 6.09 0.16 -2.91 117.51 118.66 1uhu h ILE 83 Ca -0.00 -1.43 -0.01 0.00 -1.37 0.00 0.00 64.86 62.05 1uhu h ILE 83 Cb 0.87 1.77 -0.00 0.00 0.47 0.00 0.00 36.82 39.94 1uhu h ILE 83 CO 0.00 0.40 -0.14 0.74 -3.07 0.00 0.00 178.15 176.09 1uhu h THR 84 N 0.00 0.72 -0.62 2.19 2.02 -1.31 -1.53 112.91 114.38 1uhu h THR 84 Ca -0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 1uhu h THR 84 Cb 0.74 0.72 -0.07 0.00 -1.74 0.00 0.00 68.15 67.80 1uhu h THR 84 CO 0.05 0.00 0.27 0.58 0.37 0.00 0.00 175.52 176.79 1uhu h VAL 85 N -0.36 0.83 -0.93 3.16 2.07 -1.40 0.32 116.25 119.93 1uhu h VAL 85 Ca -0.03 -0.17 0.16 0.00 0.82 0.00 0.00 66.70 67.48 1uhu h VAL 85 Cb 0.29 0.30 -0.08 0.00 -1.52 0.00 0.00 31.29 30.28 1uhu h VAL 85 CO 0.04 0.09 0.60 -0.50 0.02 0.00 0.00 177.57 177.81 1uhu h TRP 86 N 0.48 0.88 -0.33 1.57 4.06 -1.27 0.62 115.95 121.96 1uhu h TRP 86 Ca 0.30 0.03 -0.13 0.00 2.06 0.00 0.00 58.89 61.14 1uhu h TRP 86 Cb 0.33 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 28.21 1uhu h TRP 86 CO -0.14 0.29 -0.32 0.37 -3.56 0.00 0.00 178.44 175.08 1uhu h GLN 87 N 0.71 0.80 -0.54 0.49 4.15 0.53 -2.71 115.11 118.54 1uhu h GLN 87 Ca 0.49 -0.42 -0.06 0.00 0.77 0.00 0.00 58.65 59.43 1uhu h GLN 87 Cb 0.79 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.47 1uhu h GLN 87 CO -0.25 1.05 0.10 0.22 -1.93 0.00 0.00 178.83 178.02 1uhu h ASP 88 N 0.57 0.79 0.20 -0.69 3.58 0.16 -2.42 116.42 118.61 1uhu h ASP 88 Ca 0.05 -0.16 0.01 0.00 0.42 0.00 0.00 57.03 57.35 1uhu h ASP 88 Cb 0.90 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 1uhu h ASP 88 CO 0.08 0.80 -0.25 -0.07 -2.88 0.00 0.00 179.24 176.92 1uhu h LEU 89 N 0.80 -0.69 0.04 2.28 3.38 0.25 -0.44 115.31 120.93 1uhu h LEU 89 Ca 0.17 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.22 1uhu h LEU 89 Cb 0.34 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1uhu h LEU 89 CO 0.00 -0.36 -0.26 0.58 0.09 0.00 0.00 178.44 178.50 1uhu h VAL 90 N -0.51 0.00 -0.21 1.22 2.07 -1.24 -2.10 116.25 115.48 1uhu h VAL 90 Ca 0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.55 1uhu h VAL 90 Cb 0.49 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1uhu h VAL 90 CO -0.09 0.00 -0.12 0.00 0.02 0.00 0.00 177.57 177.38 1uhu n GLN 91 N -3.91 -0.09 -2.47 1.57 6.02 -0.93 -1.78 117.38 115.78 1uhu n GLN 91 Ca -0.04 1.11 -0.43 0.00 -0.01 0.00 0.00 57.00 57.63 1uhu n GLN 91 Cb 0.20 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 29.81 1uhu n GLN 91 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1uhu n ASN 92 N -3.47 5.18 -4.59 1.08 3.02 -0.19 -4.97 115.26 111.32 1uhu n ASN 92 Ca 0.00 -3.11 -0.48 0.00 -0.03 0.00 0.00 54.58 50.97 1uhu n ASN 92 Cb 0.05 -1.48 -0.05 0.00 -0.61 0.00 0.00 39.78 37.69 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 4.00 3.03 -4.81 6.41 3.41 -0.73 -4.71 113.62 120.23 1uhu n SER 93 Ca 0.38 0.61 -0.30 0.00 -0.26 0.00 0.00 58.87 59.31 1uhu n SER 93 Cb 0.37 -1.39 0.09 0.00 -0.26 0.00 0.00 64.21 63.02 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 5.29 2.14 0.40 4.33 0.04 -1.26 -4.83 135.00 141.11 1uhu s PRO 94 Ca 1.00 0.66 0.22 0.00 0.04 0.00 0.00 61.00 62.91 1uhu s PRO 94 Cb -0.65 -1.92 0.62 0.00 0.04 0.00 0.00 34.50 32.59 1uhu s PRO 94 CO 0.47 -1.59 1.70 -1.00 0.04 0.00 0.00 177.00 176.62 1uhu h PRO 95 N -1.07 0.00 0.00 0.56 0.13 -1.92 0.28 132.00 129.98 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 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1uhu h PRO 95 CO 0.59 0.26 -0.02 -2.67 -0.23 0.00 0.00 178.00 175.93 1uhu n TRP 96 N -3.29 0.11 -0.07 1.56 4.27 -1.26 -3.97 117.44 114.78 1uhu n TRP 96 Ca 0.01 0.03 -0.07 0.00 -3.89 0.00 0.00 57.50 53.58 1uhu n TRP 96 Cb 0.52 -0.54 -0.02 0.00 -1.36 0.00 0.00 31.31 29.90 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 -1.59 1.28 -3.86 -1.67 5.41 -0.91 -4.93 119.36 113.10 1uhu n ILE 97 Ca 0.07 0.20 -0.36 0.00 1.00 0.00 0.00 62.75 63.66 1uhu n ILE 97 Cb 0.35 -2.21 -0.13 0.00 -0.71 0.00 0.00 39.64 36.94 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 -2.62 3.21 -0.11 0.38 -0.14 0.04 -5.02 119.74 115.49 1uhu s LYS 98 Ca -0.24 -0.75 -0.02 0.00 -1.36 0.00 0.00 55.97 53.61 1uhu s LYS 98 Cb 0.03 -3.14 -0.03 0.00 -1.68 0.00 0.00 37.83 33.01 1uhu s LYS 98 CO 0.36 -0.31 -0.05 0.45 -0.76 0.00 0.00 175.35 175.04 1uhu s SER 99 N 1.47 4.78 0.03 2.83 0.15 -1.26 -4.31 113.70 117.40 1uhu s SER 99 Ca 0.04 -0.05 -0.28 0.00 0.70 0.00 0.00 55.95 56.36 1uhu s SER 99 Cb -0.16 -1.50 0.09 0.00 -1.71 0.00 0.00 66.02 62.75 1uhu s SER 99 CO -0.01 0.27 0.89 -0.83 1.20 0.00 0.00 173.24 174.76 1uhu s GLY 100 N -0.27 -0.43 -0.05 9.45 0.00 -1.26 -5.06 107.32 109.71 1uhu s GLY 100 Ca 0.04 0.82 -0.25 0.00 0.00 0.00 0.00 44.72 45.34 1uhu s GLY 100 CO 0.02 0.26 1.06 -0.56 0.00 0.00 0.00 173.10 173.89 1uhu h PRO 101 N 2.00 0.16 -4.86 2.90 0.13 -2.05 -3.49 132.00 126.79 1uhu h PRO 101 Ca -0.23 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1uhu h PRO 101 Cb 1.24 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1uhu h PRO 101 CO 0.30 0.87 -0.52 0.43 -0.23 0.00 0.00 178.00 178.85 1uhu n SER 102 N -4.55 -6.96 -4.60 1.44 7.64 -1.26 -4.82 113.62 100.51 1uhu n SER 102 Ca -0.09 0.63 -0.43 0.00 1.01 0.00 0.00 58.87 59.99 1uhu n SER 102 Cb 0.47 -4.64 -0.03 0.00 -1.01 0.00 0.00 64.21 59.00 1uhu n SER 102 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1uhu s SER 103 N -2.09 5.54 0.00 6.43 1.04 -1.26 -5.34 113.70 118.02 1uhu s SER 103 Ca 0.16 1.72 0.00 0.00 0.48 0.00 0.00 55.95 58.30 1uhu s SER 103 Cb -0.04 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.56 1uhu s SER 103 CO 0.64 -1.92 0.00 0.61 0.98 0.00 0.00 173.24 173.55