#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 -6.17 -4.63 1.61 2.88 -1.26 -4.86 113.62 101.20 1uhu n SER 1 Ca 0.00 1.70 -0.31 0.00 -1.33 0.00 0.00 58.87 58.93 1uhu n SER 1 Cb 0.00 -5.29 -0.09 0.00 -0.75 0.00 0.00 64.21 58.07 1uhu n SER 1 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1uhu s SER 2 N -0.63 4.73 0.00 -3.46 0.01 -1.26 -4.95 113.70 108.14 1uhu s SER 2 Ca -0.11 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 56.95 1uhu s SER 2 Cb 0.01 -1.08 0.00 0.00 0.21 0.00 0.00 66.02 65.16 1uhu s SER 2 CO 0.30 0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.78 1uhu n GLY 3 N 1.03 0.70 2.75 3.44 0.00 -1.26 -4.96 105.19 106.90 1uhu n GLY 3 Ca -0.13 -0.54 -0.05 0.00 0.00 0.00 0.00 46.02 45.30 1uhu n GLY 3 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uhu n SER 4 N 0.00 -3.17 -3.78 1.61 3.41 -1.26 -5.15 113.62 105.28 1uhu n SER 4 Ca 0.00 -2.97 -0.10 0.00 -0.26 0.00 0.00 58.87 55.54 1uhu n SER 4 Cb 0.00 1.74 -0.07 0.00 -0.26 0.00 0.00 64.21 65.62 1uhu n SER 4 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1uhu s SER 5 N -0.04 -0.03 0.29 4.04 1.04 -1.26 -5.09 113.70 112.64 1uhu s SER 5 Ca 0.30 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1uhu s SER 5 Cb 0.09 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1uhu s SER 5 CO -0.12 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.01 1uhu n GLY 6 N 0.19 -5.34 3.98 7.32 0.00 -1.26 -5.01 105.19 105.07 1uhu n GLY 6 Ca -0.17 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.16 4.54 -0.04 2.61 -4.23 -1.26 -5.03 115.64 111.07 1uhu s THR 7 Ca 0.00 -0.91 -0.24 0.00 -1.18 0.00 0.00 61.69 59.36 1uhu s THR 7 Cb 0.00 -3.60 -0.23 0.00 1.34 0.00 0.00 72.50 70.02 1uhu s THR 7 CO 0.00 -0.26 1.07 1.55 -0.54 0.00 0.00 174.62 176.44 1uhu h PRO 8 N 0.93 0.20 -0.52 3.99 0.13 -1.81 -1.79 132.00 133.13 1uhu h PRO 8 Ca -0.48 -0.19 0.10 0.00 -0.87 0.00 0.00 66.00 64.55 1uhu h PRO 8 Cb 1.24 0.05 -0.08 0.00 0.13 0.00 0.00 31.00 32.35 1uhu h PRO 8 CO 0.56 0.90 0.07 -0.07 -0.23 0.00 0.00 178.00 179.23 1uhu h LEU 9 N -0.43 -0.07 -0.70 1.56 3.38 -1.43 1.64 115.31 119.26 1uhu h LEU 9 Ca -0.03 0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1uhu h LEU 9 Cb 0.97 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 1uhu h LEU 9 CO 0.05 -0.01 0.15 -1.28 0.09 0.00 0.00 178.44 177.44 1uhu h SER 10 N 0.20 1.08 0.17 -0.43 0.87 -1.81 0.50 113.55 114.13 1uhu h SER 10 Ca 0.26 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1uhu h SER 10 Cb 0.38 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1uhu h SER 10 CO -0.37 1.04 -0.08 -0.07 -0.53 0.00 0.00 176.83 176.81 1uhu h LEU 11 N 1.06 -0.20 0.28 2.23 3.38 -0.08 0.45 115.31 122.44 1uhu h LEU 11 Ca 0.22 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1uhu h LEU 11 Cb 0.40 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1uhu h LEU 11 CO 0.01 0.11 -0.16 0.71 0.09 0.00 0.00 178.44 179.20 1uhu h THR 12 N -0.52 0.67 -0.87 0.22 1.35 0.24 -0.68 112.91 113.33 1uhu h THR 12 Ca -0.02 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.89 1uhu h THR 12 Cb 0.40 0.67 -0.06 0.00 -1.73 0.00 0.00 68.15 67.43 1uhu h THR 12 CO 0.04 0.00 0.55 -0.07 -0.25 0.00 0.00 175.52 175.79 1uhu h LEU 13 N -0.41 0.88 -2.16 3.87 3.38 -0.00 0.28 115.31 121.14 1uhu h LEU 13 Ca -0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1uhu h LEU 13 Cb 0.33 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1uhu h LEU 13 CO 0.04 0.57 0.01 0.44 0.09 0.00 0.00 178.44 179.60 1uhu h ASP 14 N 1.02 0.00 -0.69 -0.43 3.32 0.39 -1.11 116.42 118.91 1uhu h ASP 14 Ca 0.37 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.92 1uhu h ASP 14 Cb 0.12 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 39.30 1uhu h ASP 14 CO -0.16 0.00 -0.61 1.41 -1.72 0.00 0.00 179.24 178.16 1uhu n HIS 15 N -4.30 2.50 -0.34 4.55 8.25 0.67 -4.77 115.22 121.78 1uhu n HIS 15 Ca -0.03 -2.21 0.24 0.00 -0.26 0.00 0.00 57.72 55.46 1uhu n HIS 15 Cb 0.10 -0.44 0.51 0.00 1.12 0.00 0.00 29.99 31.28 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 2.02 0.69 -0.91 4.41 -0.00 0.71 1.06 115.95 123.93 1uhu h TRP 16 Ca 0.35 0.02 0.12 0.00 -0.00 0.00 0.00 58.89 59.39 1uhu h TRP 16 Cb 1.43 -0.20 -0.08 0.00 -0.00 0.00 0.00 29.16 30.31 1uhu h TRP 16 CO 0.90 0.02 0.53 1.03 -0.00 0.00 0.00 178.44 180.92 1uhu h SER 17 N 0.37 0.73 -0.28 2.65 0.87 -1.84 1.05 113.55 117.10 1uhu h SER 17 Ca 0.63 0.06 -0.12 0.00 -1.23 0.00 0.00 61.79 61.13 1uhu h SER 17 Cb 1.62 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 63.50 1uhu h SER 17 CO -0.34 0.37 -0.30 -0.08 -0.53 0.00 0.00 176.83 175.95 1uhu h GLU 18 N 0.82 0.70 -0.55 2.24 4.57 0.80 -0.23 114.58 122.92 1uhu h GLU 18 Ca 0.46 -0.38 -0.07 0.00 -1.18 0.00 0.00 59.36 58.19 1uhu h GLU 18 Cb 0.52 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.11 1uhu h GLU 18 CO -0.29 0.99 0.06 0.82 -1.18 0.00 0.00 179.01 179.41 1uhu h ILE 19 N 0.44 1.25 0.00 2.32 1.08 -0.28 -0.05 117.51 122.27 1uhu h ILE 19 Ca 0.04 -0.98 -0.11 0.00 -0.39 0.00 0.00 64.86 63.43 1uhu h ILE 19 Cb 0.87 0.76 -0.02 0.00 -3.07 0.00 0.00 36.82 35.37 1uhu h ILE 19 CO 0.07 0.36 -0.50 0.03 -0.69 0.00 0.00 178.15 177.42 1uhu h ARG 20 N 0.85 0.00 -0.12 2.37 3.08 0.12 -2.63 114.38 118.05 1uhu h ARG 20 Ca 0.17 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.07 1uhu h ARG 20 Cb 0.42 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.47 1uhu h ARG 20 CO 0.01 0.50 -0.51 1.03 -1.07 0.00 0.00 179.97 179.93 1uhu h SER 21 N 0.00 0.66 0.10 7.04 0.87 -0.30 -2.44 113.55 119.47 1uhu h SER 21 Ca -0.01 -0.63 -0.02 0.00 -1.23 0.00 0.00 61.79 59.91 1uhu h SER 21 Cb 0.94 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1uhu h SER 21 CO 0.07 1.18 -0.08 0.03 -0.53 0.00 0.00 176.83 177.49 1uhu h ARG 22 N 0.18 0.00 -0.12 2.24 2.47 -0.92 -0.51 114.38 117.71 1uhu h ARG 22 Ca -0.03 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.46 1uhu h ARG 22 Cb 1.15 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.48 1uhu h ARG 22 CO 0.11 0.08 -0.81 0.00 0.56 0.00 0.00 179.97 179.90 1uhu h ALA 23 N 1.92 0.32 -0.57 0.04 0.00 -1.36 -0.66 119.26 118.94 1uhu h ALA 23 Ca -0.00 -0.62 -0.05 0.00 0.00 0.00 0.00 54.91 54.24 1uhu h ALA 23 Cb 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1uhu h ALA 23 CO 0.01 0.70 0.15 1.25 0.00 0.00 0.00 179.25 181.36 1uhu h HIS 24 N 0.49 0.95 -0.03 0.00 6.17 -0.77 1.46 115.15 123.42 1uhu h HIS 24 Ca -0.06 -0.11 -0.11 0.00 0.71 0.00 0.00 60.37 60.80 1uhu h HIS 24 Cb 1.44 -0.27 -0.01 0.00 2.52 0.00 0.00 27.41 31.09 1uhu h HIS 24 CO 0.08 0.81 -0.49 -0.97 0.71 0.00 0.00 177.93 178.07 1uhu h ASN 25 N 0.82 0.08 0.12 3.26 -0.73 -1.12 -1.69 115.58 116.32 1uhu h ASN 25 Ca 0.18 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.32 1uhu h ASN 25 Cb 0.32 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 38.89 1uhu h ASN 25 CO -0.00 0.55 -0.07 0.18 -0.37 0.00 0.00 177.43 177.72 1uhu n LEU 26 N -3.96 0.92 -3.15 0.34 4.77 -0.26 -4.93 117.00 110.73 1uhu n LEU 26 Ca -0.02 -0.25 -0.15 0.00 -0.03 0.00 0.00 56.01 55.56 1uhu n LEU 26 Cb 0.51 -0.06 0.08 0.00 -2.33 0.00 0.00 43.42 41.62 1uhu n LEU 26 CO 0.41 0.16 0.09 -1.20 -1.33 0.00 0.00 177.39 175.52 1uhu n SER 27 N -0.43 -2.28 -3.86 -1.43 7.64 0.13 -5.02 113.62 108.38 1uhu n SER 27 Ca 0.18 -0.56 -0.11 0.00 1.01 0.00 0.00 58.87 59.39 1uhu n SER 27 Cb 0.29 -4.62 -0.10 0.00 -1.01 0.00 0.00 64.21 58.77 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 -3.32 0.07 -0.08 0.44 -7.23 0.45 -4.99 120.40 105.75 1uhu s VAL 28 Ca 0.02 -0.58 0.01 0.00 -1.81 0.00 0.00 61.98 59.63 1uhu s VAL 28 Cb -0.00 -0.41 -0.03 0.00 0.56 0.00 0.00 36.38 36.50 1uhu s VAL 28 CO 0.65 -0.32 -0.10 -0.70 -0.31 0.00 0.00 175.10 174.32 1uhu s GLU 29 N -1.15 2.81 0.24 4.82 2.12 -1.26 -3.57 118.70 122.71 1uhu s GLU 29 Ca -0.12 -0.61 -0.02 0.00 0.36 0.00 0.00 54.97 54.57 1uhu s GLU 29 Cb -0.07 -2.55 -0.03 0.00 0.26 0.00 0.00 34.13 31.75 1uhu s GLU 29 CO 0.01 0.57 0.25 0.96 -0.54 0.00 0.00 175.26 176.51 1uhu s ILE 30 N -0.56 0.00 0.28 -3.70 -4.36 -1.26 -4.94 121.20 106.66 1uhu s ILE 30 Ca 0.08 -1.85 0.04 0.00 -0.26 0.00 0.00 60.65 58.67 1uhu s ILE 30 Cb -0.12 -2.45 -0.06 0.00 1.25 0.00 0.00 42.46 41.08 1uhu s ILE 30 CO 0.02 0.00 0.01 -0.54 0.24 0.00 0.00 174.94 174.67 1uhu s LYS 31 N -3.94 1.51 -0.07 0.37 3.01 -1.26 -5.04 119.74 114.33 1uhu s LYS 31 Ca 0.35 -1.80 -0.07 0.00 -1.01 0.00 0.00 55.97 53.44 1uhu s LYS 31 Cb 0.04 -0.84 -0.28 0.00 -1.01 0.00 0.00 37.83 35.74 1uhu s LYS 31 CO 0.14 -0.10 0.59 -0.22 0.51 0.00 0.00 175.35 176.27 1uhu h LYS 32 N 2.28 0.32 -0.13 1.68 3.64 -1.99 -2.28 116.57 120.09 1uhu h LYS 32 Ca -0.40 -0.54 0.04 0.00 -1.27 0.00 0.00 60.65 58.48 1uhu h LYS 32 Cb 1.23 0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 33.22 1uhu h LYS 32 CO 0.67 1.22 -0.09 0.78 -2.27 0.00 0.00 179.45 179.76 1uhu h GLY 33 N 1.08 0.01 0.95 5.01 0.00 -1.99 -0.79 103.07 107.34 1uhu h GLY 33 Ca -0.36 0.12 -0.19 0.00 0.00 0.00 0.00 47.33 46.90 1uhu h GLY 33 CO 0.14 -0.11 -0.70 -0.56 0.00 0.00 0.00 176.54 175.31 1uhu h PRO 34 N -0.10 0.55 -1.05 4.80 0.13 -1.99 -2.21 132.00 132.12 1uhu h PRO 34 Ca 0.08 -0.53 0.28 0.00 -0.87 0.00 0.00 66.00 64.95 1uhu h PRO 34 Cb 0.22 0.14 -0.10 0.00 0.13 0.00 0.00 31.00 31.39 1uhu h PRO 34 CO -0.19 1.16 0.67 2.35 -0.23 0.00 0.00 178.00 181.76 1uhu h TRP 35 N 0.14 0.71 0.02 1.56 2.91 -1.24 0.66 115.95 120.71 1uhu h TRP 35 Ca -0.08 0.03 -0.11 0.00 1.13 0.00 0.00 58.89 59.86 1uhu h TRP 35 Cb 1.37 -0.20 0.01 0.00 -0.51 0.00 0.00 29.16 29.83 1uhu h TRP 35 CO 0.12 0.04 -0.42 -0.09 -1.03 0.00 0.00 178.44 177.06 1uhu h ARG 36 N 0.40 0.25 -0.07 2.65 9.65 -1.09 -3.05 114.38 123.12 1uhu h ARG 36 Ca 0.62 -0.30 0.04 0.00 -1.10 0.00 0.00 59.98 59.24 1uhu h ARG 36 Cb 1.55 0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 30.17 1uhu h ARG 36 CO -0.34 1.03 -0.19 1.15 2.80 0.00 0.00 179.97 184.42 1uhu h THR 37 N -0.39 0.53 -0.09 0.20 2.02 0.14 1.55 112.91 116.87 1uhu h THR 37 Ca -0.06 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.15 1uhu h THR 37 Cb 1.19 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1uhu h THR 37 CO 0.08 0.00 0.14 -0.26 0.37 0.00 0.00 175.52 175.85 1uhu h PHE 38 N -0.27 0.00 -0.30 3.16 0.04 0.03 0.63 116.94 120.23 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 0.38 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.53 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 0.06 1.16 -2.66 0.00 0.00 0.51 -4.59 120.51 114.99 1uhu n ALA 40 Ca 0.16 -1.05 -0.02 0.00 0.00 0.00 0.00 53.44 52.52 1uhu n ALA 40 Cb 0.62 0.08 0.12 0.00 0.00 0.00 0.00 19.45 20.28 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 -4.27 -1.38 0.00 0.00 2.88 -0.82 -4.89 113.62 105.14 1uhu n SER 41 Ca -0.52 -2.14 0.00 0.00 -1.33 0.00 0.00 58.87 54.88 1uhu n SER 41 Cb 0.86 0.66 0.00 0.00 -0.75 0.00 0.00 64.21 64.98 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 -1.39 0.00 0.01 -1.46 4.07 -1.23 -4.43 120.64 116.20 1uhu n GLU 42 Ca -0.16 0.00 -0.18 0.00 -0.06 0.00 0.00 57.16 56.76 1uhu n GLU 42 Cb 0.85 -0.50 -0.12 0.00 -0.06 0.00 0.00 31.44 31.60 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 0.00 0.50 0.00 4.31 6.55 -1.21 -3.09 115.95 123.01 1uhu h TRP 43 Ca 0.00 -0.30 0.00 0.00 0.95 0.00 0.00 58.89 59.54 1uhu h TRP 43 Cb 0.91 -0.05 0.00 0.00 -0.86 0.00 0.00 29.16 29.17 1uhu h TRP 43 CO 0.00 1.15 0.00 -0.35 -1.05 0.00 0.00 178.44 178.19 1uhu n PRO 44 N -4.26 0.75 -0.29 0.49 -0.04 -1.26 -2.24 135.00 128.15 1uhu n PRO 44 Ca -0.11 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.43 1uhu n PRO 44 Cb 0.67 -1.42 0.19 0.00 -0.04 0.00 0.00 33.50 32.91 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 2.10 0.97 0.52 -2.24 -1.17 -4.49 114.28 109.05 1uhu n THR 45 Ca 0.15 -2.19 0.10 0.00 -2.27 0.00 0.00 64.05 59.85 1uhu n THR 45 Cb 0.07 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.02 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 -2.56 4.78 3.01 -0.95 -4.94 117.46 115.76 1uhu n PHE 46 Ca 0.19 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.62 1uhu n PHE 46 Cb 0.77 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.24 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 -0.31 -6.96 0.00 4.37 -0.08 -1.26 -4.99 116.55 107.32 1uhu n ASP 47 Ca 0.08 0.82 0.00 0.00 -1.51 0.00 0.00 54.79 54.18 1uhu n ASP 47 Cb 0.43 -4.62 0.00 0.00 2.34 0.00 0.00 41.12 39.27 1uhu n ASP 47 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1uhu n VAL 48 N 0.12 0.00 0.00 5.18 0.24 -1.26 -5.05 118.33 117.56 1uhu n VAL 48 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 1uhu n VAL 48 Cb 0.19 -0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.54 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 -1.27 0.22 3.60 7.63 0.00 -1.26 -5.14 105.19 108.97 1uhu n GLY 49 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.34 3.20 0.80 1.61 -0.11 -1.26 -4.99 118.94 117.84 1uhu s TRP 50 Ca 0.00 -0.02 -0.11 0.00 1.22 0.00 0.00 56.10 57.19 1uhu s TRP 50 Cb 0.00 -2.06 0.07 0.00 -1.50 0.00 0.00 33.47 29.98 1uhu s TRP 50 CO 0.00 0.10 1.10 -1.25 -4.62 0.00 0.00 176.95 172.28 1uhu s PRO 51 N 0.42 2.08 0.13 5.86 0.04 -1.26 -4.21 135.00 138.05 1uhu s PRO 51 Ca 0.02 0.64 -0.06 0.00 0.04 0.00 0.00 61.00 61.63 1uhu s PRO 51 Cb -0.13 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 1uhu s PRO 51 CO 0.01 -1.62 1.32 -1.00 0.04 0.00 0.00 177.00 175.74 1uhu h PRO 52 N -1.09 0.51 0.00 0.56 0.13 -1.90 -3.02 132.00 127.18 1uhu h PRO 52 Ca -0.47 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.17 1uhu h PRO 52 Cb 1.27 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1uhu h PRO 52 CO 0.59 1.13 0.00 -0.85 -0.23 0.00 0.00 178.00 178.64 1uhu n GLU 53 N -3.81 0.15 0.00 0.86 0.28 -1.26 -4.53 120.64 112.33 1uhu n GLU 53 Ca -0.07 0.15 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 1uhu n GLU 53 Cb 0.80 -1.68 0.00 0.00 1.43 0.00 0.00 31.44 31.98 1uhu n GLU 53 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1uhu n GLY 54 N 1.22 0.38 3.52 -1.84 0.00 -1.14 -1.08 105.19 106.25 1uhu n GLY 54 Ca 0.06 -1.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.55 -0.00 -0.38 2.61 -1.32 -1.26 -4.59 115.64 109.14 1uhu s THR 55 Ca 0.00 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.47 1uhu s THR 55 Cb 0.00 -0.86 0.22 0.00 -1.51 0.00 0.00 72.50 70.34 1uhu s THR 55 CO 0.00 0.00 2.14 0.49 -2.21 0.00 0.00 174.62 175.04 1uhu n PHE 56 N 2.98 1.74 -3.56 9.09 3.72 -1.26 -4.82 117.46 125.35 1uhu n PHE 56 Ca -0.15 -2.08 -0.41 0.00 -0.05 0.00 0.00 57.45 54.76 1uhu n PHE 56 Cb 0.56 -1.08 -0.09 0.00 -0.94 0.00 0.00 39.48 37.93 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 -0.02 5.72 0.36 4.37 2.15 -1.26 -4.78 116.67 123.20 1uhu s ASP 57 Ca 0.39 -1.68 0.16 0.00 0.43 0.00 0.00 52.55 51.86 1uhu s ASP 57 Cb 0.29 -2.02 1.11 0.00 -0.30 0.00 0.00 42.92 42.00 1uhu s ASP 57 CO -0.04 -0.62 1.68 0.25 -0.17 0.00 0.00 175.17 176.27 1uhu h LEU 58 N 8.47 0.50 -0.04 -1.34 5.85 -1.94 0.46 115.31 127.25 1uhu h LEU 58 Ca -0.23 0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1uhu h LEU 58 Cb 1.08 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.17 1uhu h LEU 58 CO 0.82 -0.08 -0.23 0.74 -0.34 0.00 0.00 178.44 179.36 1uhu h THR 59 N 0.34 0.46 -0.30 1.05 2.02 -1.98 1.28 112.91 115.78 1uhu h THR 59 Ca 0.71 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.80 1uhu h THR 59 Cb 1.70 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.56 1uhu h THR 59 CO -0.52 0.00 -0.22 0.58 0.37 0.00 0.00 175.52 175.73 1uhu h VAL 60 N -0.33 1.26 0.16 3.16 2.07 -0.70 -2.65 116.25 119.22 1uhu h VAL 60 Ca 0.07 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 1uhu h VAL 60 Cb 0.44 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1uhu h VAL 60 CO -0.24 0.40 -0.08 0.40 0.02 0.00 0.00 177.57 178.08 1uhu h ILE 61 N 0.51 0.91 -0.71 4.57 2.04 0.70 -2.21 117.51 123.31 1uhu h ILE 61 Ca 0.08 -0.29 0.19 0.00 1.00 0.00 0.00 64.86 65.84 1uhu h ILE 61 Cb 0.66 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 1uhu h ILE 61 CO 0.05 0.07 0.50 -0.26 0.00 0.00 0.00 178.15 178.51 1uhu h PHE 62 N -0.35 0.10 0.21 1.37 -1.00 0.18 1.04 116.94 118.48 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 0.28 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.81 1uhu h PHE 62 CO -0.02 0.03 -0.10 0.93 -1.61 0.00 0.00 178.31 177.54 1uhu h GLU 63 N 0.08 -0.27 -0.15 1.51 5.08 -1.05 0.11 114.58 119.89 1uhu h GLU 63 Ca 0.34 0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.57 1uhu h GLU 63 Cb 1.25 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 1uhu h GLU 63 CO -0.03 0.01 -0.55 0.28 -1.00 0.00 0.00 179.01 177.72 1uhu h VAL 64 N -0.56 1.34 0.74 3.13 2.07 -0.78 -2.57 116.25 119.62 1uhu h VAL 64 Ca -0.03 -1.83 -0.03 0.00 0.82 0.00 0.00 66.70 65.63 1uhu h VAL 64 Cb 0.41 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1uhu h VAL 64 CO 0.05 0.56 -0.42 0.50 0.02 0.00 0.00 177.57 178.28 1uhu h LYS 65 N 0.35 -1.04 -0.93 1.57 3.64 0.11 0.33 116.57 120.61 1uhu h LYS 65 Ca 0.01 0.07 0.19 0.00 -1.27 0.00 0.00 60.65 59.65 1uhu h LYS 65 Cb 1.08 0.24 -0.08 0.00 -0.41 0.00 0.00 32.23 33.06 1uhu h LYS 65 CO 0.10 -0.69 0.60 0.00 -2.27 0.00 0.00 179.45 177.19 1uhu h ALA 66 N -0.88 2.02 0.31 5.00 0.00 -0.79 2.07 119.26 127.00 1uhu h ALA 66 Ca -0.10 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1uhu h ALA 66 Cb 0.85 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1uhu h ALA 66 CO 0.13 -0.33 -0.15 0.82 0.00 0.00 0.00 179.25 179.72 1uhu h ILE 67 N 0.54 0.71 -0.17 0.00 2.04 -0.94 1.45 117.51 121.14 1uhu h ILE 67 Ca 0.50 -0.07 -0.14 0.00 1.00 0.00 0.00 64.86 66.15 1uhu h ILE 67 Cb 1.05 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1uhu h ILE 67 CO -0.23 0.01 -0.47 -0.37 0.00 0.00 0.00 178.15 177.09 1uhu h VAL 68 N -0.45 1.32 -0.31 1.67 -1.51 0.11 -2.38 116.25 114.71 1uhu h VAL 68 Ca -0.04 -1.69 0.00 0.00 -1.23 0.00 0.00 66.70 63.74 1uhu h VAL 68 Cb 0.34 1.71 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 1uhu h VAL 68 CO 0.07 0.52 0.00 0.49 -1.23 0.00 0.00 177.57 177.42 1uhu n PHE 69 N -3.98 0.52 -0.20 5.19 3.01 0.68 0.23 117.46 122.90 1uhu n PHE 69 Ca -0.02 -0.23 -0.03 0.00 1.01 0.00 0.00 57.45 58.17 1uhu n PHE 69 Cb 0.55 -0.05 0.03 0.00 -0.01 0.00 0.00 39.48 40.00 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 0.41 -1.98 -3.65 -1.08 10.64 0.49 -4.90 117.38 117.31 1uhu n GLN 70 Ca 0.11 -0.18 -0.20 0.00 -1.83 0.00 0.00 57.00 54.90 1uhu n GLN 70 Cb 0.34 -0.20 -0.02 0.00 -0.86 0.00 0.00 30.24 29.50 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 -2.03 5.50 0.02 2.61 2.15 -1.26 -4.54 116.67 119.12 1uhu s ASP 71 Ca 0.08 -0.41 0.00 0.00 0.43 0.00 0.00 52.55 52.64 1uhu s ASP 71 Cb -0.01 -1.01 0.00 0.00 -0.30 0.00 0.00 42.92 41.60 1uhu s ASP 71 CO 0.06 -0.42 0.00 0.61 -0.17 0.00 0.00 175.17 175.25 1uhu n GLY 72 N -1.49 -2.14 0.00 2.66 0.00 -1.26 -4.03 105.19 98.92 1uhu n GLY 72 Ca -0.00 -1.46 0.11 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.47 0.45 0.14 1.61 -0.04 -1.26 -2.87 135.00 132.55 1uhu n PRO 73 Ca 0.00 0.05 -0.01 0.00 -0.04 0.00 0.00 63.50 63.50 1uhu n PRO 73 Cb 0.01 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.18 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 3.74 0.04 -2.53 0.55 0.00 -1.95 -3.45 103.07 99.48 1uhu h GLY 74 Ca 0.00 -0.04 -0.56 0.00 0.00 0.00 0.00 47.33 46.72 1uhu h GLY 74 CO 0.00 0.04 0.31 -1.14 0.00 0.00 0.00 176.54 175.75 1uhu n SER 75 N -3.89 1.45 -4.05 0.19 3.41 -1.14 -4.87 113.62 104.73 1uhu n SER 75 Ca -0.01 0.84 -0.33 0.00 -0.26 0.00 0.00 58.87 59.11 1uhu n SER 75 Cb 0.56 -1.47 -0.13 0.00 -0.26 0.00 0.00 64.21 62.92 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 -1.44 3.55 -1.42 7.33 0.09 0.13 -4.92 115.29 118.62 1uhu s HIS 76 Ca 0.77 -2.83 0.23 0.00 -0.00 0.00 0.00 55.06 53.23 1uhu s HIS 76 Cb -0.41 -3.03 1.15 0.00 -0.00 0.00 0.00 32.58 30.29 1uhu s HIS 76 CO 0.45 -0.90 1.74 -0.35 -0.00 0.00 0.00 174.74 175.69 1uhu n PRO 77 N 4.02 0.32 0.10 8.40 -0.04 -1.26 -1.60 135.00 144.93 1uhu n PRO 77 Ca 0.03 0.07 -0.23 0.00 -0.04 0.00 0.00 63.50 63.33 1uhu n PRO 77 Cb 0.39 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.20 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 0.67 0.98 3.54 3.32 -1.95 -3.32 116.42 119.66 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 0.22 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1uhu h ASP 78 CO 0.00 1.72 -0.68 1.56 -1.72 0.00 0.00 179.24 180.13 1uhu h GLN 79 N 0.12 0.00 -0.64 3.56 4.20 -1.92 -3.36 115.11 117.07 1uhu h GLN 79 Ca -0.30 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.54 1uhu h GLN 79 Cb 2.12 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 29.78 1uhu h GLN 79 CO 0.21 0.00 -0.03 1.96 -0.67 0.00 0.00 178.83 180.30 1uhu h GLN 80 N 0.00 0.09 0.00 1.46 4.20 -1.39 1.64 115.11 121.10 1uhu h GLN 80 Ca 0.00 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1uhu h GLN 80 Cb 0.83 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.58 1uhu h GLN 80 CO 0.00 0.06 -0.09 -1.00 -0.67 0.00 0.00 178.83 177.13 1uhu h PRO 81 N 0.09 0.00 0.01 1.46 0.13 -1.74 -1.13 132.00 130.82 1uhu h PRO 81 Ca 0.33 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.44 1uhu h PRO 81 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1uhu h PRO 81 CO -0.58 0.09 -0.11 1.88 -0.23 0.00 0.00 178.00 179.05 1uhu h TYR 82 N 0.00 0.06 -0.25 1.56 -1.99 -0.21 -3.22 116.97 112.93 1uhu h TYR 82 Ca -0.00 -0.04 -0.10 0.00 2.00 0.00 0.00 58.73 60.58 1uhu h TYR 82 Cb 0.81 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.53 1uhu h TYR 82 CO 0.00 1.04 -0.29 0.97 -0.00 0.00 0.00 178.16 179.89 1uhu h ILE 83 N -0.93 1.27 -0.72 -2.88 6.09 0.21 -2.83 117.51 117.72 1uhu h ILE 83 Ca -0.02 -1.34 0.11 0.00 -1.37 0.00 0.00 64.86 62.24 1uhu h ILE 83 Cb 1.07 1.40 -0.08 0.00 0.47 0.00 0.00 36.82 39.68 1uhu h ILE 83 CO 0.01 0.42 0.32 0.74 -3.07 0.00 0.00 178.15 176.58 1uhu h THR 84 N 0.44 0.77 -0.75 2.19 2.02 -1.31 0.71 112.91 116.98 1uhu h THR 84 Ca 0.06 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 1uhu h THR 84 Cb 0.72 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1uhu h THR 84 CO 0.06 0.09 0.34 0.58 0.37 0.00 0.00 175.52 176.96 1uhu h VAL 85 N 0.52 1.25 -0.00 3.16 2.07 -1.51 -0.88 116.25 120.86 1uhu h VAL 85 Ca 0.37 -0.72 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1uhu h VAL 85 Cb 0.47 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 1uhu h VAL 85 CO -0.32 0.30 -0.19 -0.50 0.02 0.00 0.00 177.57 176.88 1uhu h TRP 86 N 1.06 -0.49 -0.51 1.57 4.06 -0.81 0.89 115.95 121.72 1uhu h TRP 86 Ca 0.25 0.02 0.08 0.00 2.06 0.00 0.00 58.89 61.30 1uhu h TRP 86 Cb 0.15 0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 28.50 1uhu h TRP 86 CO 0.01 -0.27 0.34 0.37 -3.56 0.00 0.00 178.44 175.34 1uhu h GLN 87 N -0.30 0.36 -0.02 0.49 -0.00 -0.67 0.15 115.11 115.11 1uhu h GLN 87 Ca 0.06 -0.02 -0.18 0.00 -0.00 0.00 0.00 58.65 58.51 1uhu h GLN 87 Cb 0.38 -0.08 -0.01 0.00 0.00 0.00 0.00 27.48 27.76 1uhu h GLN 87 CO -0.18 0.24 -0.78 0.22 0.00 0.00 0.00 178.83 178.34 1uhu h ASP 88 N 0.37 0.26 0.39 -0.69 3.58 0.47 -1.66 116.42 119.14 1uhu h ASP 88 Ca 0.23 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 1uhu h ASP 88 Cb 0.42 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.40 1uhu h ASP 88 CO -0.06 0.94 -0.19 -0.07 -2.88 0.00 0.00 179.24 176.98 1uhu h LEU 89 N 0.13 -0.44 -0.45 2.28 3.38 0.34 0.18 115.31 120.73 1uhu h LEU 89 Ca -0.03 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.89 1uhu h LEU 89 Cb 1.36 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 42.20 1uhu h LEU 89 CO 0.12 -0.20 0.27 -0.37 0.09 0.00 0.00 178.44 178.36 1uhu h VAL 90 N -0.68 1.06 0.37 1.22 -1.51 -1.24 0.81 116.25 116.27 1uhu h VAL 90 Ca -0.05 -0.19 -0.01 0.00 -1.23 0.00 0.00 66.70 65.22 1uhu h VAL 90 Cb 0.49 0.46 -0.02 0.00 -2.13 0.00 0.00 31.29 30.08 1uhu h VAL 90 CO 0.09 0.10 -0.41 1.56 -1.23 0.00 0.00 177.57 177.68 1uhu h GLN 91 N 0.55 -0.76 -2.06 5.19 1.08 -1.16 -2.65 115.11 115.31 1uhu h GLN 91 Ca 0.18 0.05 -0.65 0.00 -1.45 0.00 0.00 58.65 56.78 1uhu h GLN 91 Cb 0.00 0.17 -0.22 0.00 -0.05 0.00 0.00 27.48 27.38 1uhu h GLN 91 CO -0.08 -0.50 0.86 0.09 -0.95 0.00 0.00 178.83 178.25 1uhu n ASN 92 N -4.85 7.09 -4.06 1.46 3.02 0.63 -4.98 115.26 113.56 1uhu n ASN 92 Ca -0.09 -3.51 -0.57 0.00 -0.03 0.00 0.00 54.58 50.38 1uhu n ASN 92 Cb 0.36 -1.17 -0.11 0.00 -0.61 0.00 0.00 39.78 38.25 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 0.26 0.74 -4.53 6.41 3.41 0.26 -4.84 113.62 115.34 1uhu n SER 93 Ca 0.52 0.68 -0.29 0.00 -0.26 0.00 0.00 58.87 59.52 1uhu n SER 93 Cb 0.37 -0.85 0.16 0.00 -0.26 0.00 0.00 64.21 63.63 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 5.48 0.70 0.38 4.33 0.04 -1.26 -4.72 135.00 139.95 1uhu s PRO 94 Ca 1.13 0.12 0.20 0.00 0.04 0.00 0.00 61.00 62.49 1uhu s PRO 94 Cb -1.42 -1.80 0.57 0.00 0.04 0.00 0.00 34.50 31.88 1uhu s PRO 94 CO 0.64 -2.47 1.67 -1.00 0.04 0.00 0.00 177.00 175.89 1uhu h PRO 95 N -1.69 0.00 0.00 0.56 0.13 -1.90 0.36 132.00 129.46 1uhu h PRO 95 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1uhu h PRO 95 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1uhu h PRO 95 CO 0.54 0.32 0.00 -2.67 -0.23 0.00 0.00 178.00 175.95 1uhu n TRP 96 N -3.33 0.00 0.02 1.56 4.27 -1.26 -4.03 117.44 114.67 1uhu n TRP 96 Ca 0.01 0.00 -0.01 0.00 -3.89 0.00 0.00 57.50 53.61 1uhu n TRP 96 Cb 0.55 -0.07 -0.00 0.00 -1.36 0.00 0.00 31.31 30.42 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 -1.07 0.86 -3.66 -1.67 5.41 -0.90 -4.98 119.36 113.36 1uhu n ILE 97 Ca 0.21 0.28 -0.06 0.00 1.00 0.00 0.00 62.75 64.18 1uhu n ILE 97 Cb 0.14 -1.48 -0.07 0.00 -0.71 0.00 0.00 39.64 37.52 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 -1.75 0.50 -0.45 0.38 -0.14 0.12 -5.00 119.74 113.40 1uhu s LYS 98 Ca -0.02 1.17 0.04 0.00 -1.36 0.00 0.00 55.97 55.80 1uhu s LYS 98 Cb 0.00 0.41 0.19 0.00 -1.68 0.00 0.00 37.83 36.75 1uhu s LYS 98 CO 0.03 -0.20 0.79 0.45 -0.76 0.00 0.00 175.35 175.66 1uhu s SER 99 N 2.30 -1.20 0.11 2.83 0.15 -1.26 -4.31 113.70 112.32 1uhu s SER 99 Ca -0.06 -1.14 -0.19 0.00 0.70 0.00 0.00 55.95 55.26 1uhu s SER 99 Cb -0.10 1.56 0.05 0.00 -1.71 0.00 0.00 66.02 65.82 1uhu s SER 99 CO -0.16 -0.08 0.47 -0.83 1.20 0.00 0.00 173.24 173.84 1uhu s GLY 100 N 1.24 -0.39 -0.31 9.45 0.00 -1.26 -4.84 107.32 111.21 1uhu s GLY 100 Ca 0.24 0.22 -0.29 0.00 0.00 0.00 0.00 44.72 44.89 1uhu s GLY 100 CO -0.07 -0.06 1.36 2.56 0.00 0.00 0.00 173.10 176.89 1uhu s PRO 101 N -3.46 3.83 0.80 2.90 0.04 -1.26 -4.55 135.00 133.30 1uhu s PRO 101 Ca 0.00 1.23 -0.12 0.00 0.04 0.00 0.00 61.00 62.16 1uhu s PRO 101 Cb 0.01 -3.93 0.07 0.00 0.04 0.00 0.00 34.50 30.69 1uhu s PRO 101 CO -0.10 -1.24 1.15 0.45 0.04 0.00 0.00 177.00 177.31 1uhu s SER 102 N 3.20 4.61 0.48 6.66 0.15 -1.26 -4.86 113.70 122.68 1uhu s SER 102 Ca 0.59 0.92 0.00 0.00 0.70 0.00 0.00 55.95 58.16 1uhu s SER 102 Cb -0.17 -1.51 0.00 0.00 -1.71 0.00 0.00 66.02 62.63 1uhu s SER 102 CO 0.26 -1.85 0.00 -0.24 1.20 0.00 0.00 173.24 172.60 1uhu n SER 103 N -3.31 -6.87 0.00 5.45 2.88 -1.26 -5.17 113.62 105.35 1uhu n SER 103 Ca 0.07 1.52 0.00 0.00 -1.33 0.00 0.00 58.87 59.14 1uhu n SER 103 Cb 0.60 -3.94 0.00 0.00 -0.75 0.00 0.00 64.21 60.12 1uhu n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42