#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 -0.24 0.12 1.61 0.01 -1.26 -5.18 113.70 108.76 1uhu s SER 1 Ca 0.00 -0.56 -0.26 0.00 1.31 0.00 0.00 55.95 56.44 1uhu s SER 1 Cb 0.00 0.61 0.07 0.00 0.21 0.00 0.00 66.02 66.91 1uhu s SER 1 CO 0.00 -1.12 1.01 -0.94 0.41 0.00 0.00 173.24 172.60 1uhu s SER 2 N -2.90 -0.16 0.00 2.44 1.04 -1.26 -5.17 113.70 107.69 1uhu s SER 2 Ca 0.11 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1uhu s SER 2 Cb -0.02 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1uhu s SER 2 CO 0.01 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.04 1uhu n GLY 3 N -0.47 3.17 2.33 7.32 0.00 -1.26 -5.01 105.19 111.28 1uhu n GLY 3 Ca -0.06 -1.65 -0.26 0.00 0.00 0.00 0.00 46.02 44.05 1uhu n GLY 3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uhu n SER 4 N 0.00 2.26 -3.59 1.61 2.88 -1.26 -5.05 113.62 110.47 1uhu n SER 4 Ca 0.00 -3.13 -0.09 0.00 -1.33 0.00 0.00 58.87 54.32 1uhu n SER 4 Cb 0.00 -0.66 -0.05 0.00 -0.75 0.00 0.00 64.21 62.75 1uhu n SER 4 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1uhu s SER 5 N -1.91 -0.32 0.17 -3.46 0.15 -1.26 -5.13 113.70 101.94 1uhu s SER 5 Ca 0.38 0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.36 1uhu s SER 5 Cb 0.15 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1uhu s SER 5 CO -0.06 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.70 1uhu n GLY 6 N 0.67 -4.80 3.88 9.45 0.00 -1.26 -5.04 105.19 108.09 1uhu n GLY 6 Ca -0.09 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.63 4.11 -0.05 2.61 -4.23 -1.26 -5.03 115.64 111.16 1uhu s THR 7 Ca 0.00 -1.28 -0.24 0.00 -1.18 0.00 0.00 61.69 58.98 1uhu s THR 7 Cb 0.00 -3.37 -0.23 0.00 1.34 0.00 0.00 72.50 70.25 1uhu s THR 7 CO 0.00 -0.25 1.06 1.55 -0.54 0.00 0.00 174.62 176.44 1uhu h PRO 8 N 1.26 0.17 -0.40 3.99 0.13 -1.85 -1.36 132.00 133.95 1uhu h PRO 8 Ca -0.47 -0.16 0.07 0.00 -0.87 0.00 0.00 66.00 64.57 1uhu h PRO 8 Cb 1.25 0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.36 1uhu h PRO 8 CO 0.59 0.88 0.03 1.25 -0.23 0.00 0.00 178.00 180.51 1uhu h LEU 9 N -0.48 -0.10 -0.42 1.56 6.46 -1.61 0.49 115.31 121.22 1uhu h LEU 9 Ca -0.02 0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 57.79 1uhu h LEU 9 Cb 0.94 0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.99 1uhu h LEU 9 CO 0.04 -0.01 0.16 -1.28 -0.62 0.00 0.00 178.44 176.73 1uhu h SER 10 N 0.15 0.59 -0.37 1.25 0.87 -1.82 0.26 113.55 114.47 1uhu h SER 10 Ca 0.20 -0.17 0.05 0.00 -1.23 0.00 0.00 61.79 60.63 1uhu h SER 10 Cb 0.27 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.03 1uhu h SER 10 CO -0.30 0.60 0.12 -0.07 -0.53 0.00 0.00 176.83 176.65 1uhu h LEU 11 N 0.54 0.12 0.26 2.23 3.38 -0.14 1.47 115.31 123.18 1uhu h LEU 11 Ca 0.14 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1uhu h LEU 11 Cb 0.20 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1uhu h LEU 11 CO -0.01 0.11 -0.13 0.71 0.09 0.00 0.00 178.44 179.21 1uhu h THR 12 N 0.27 0.79 -0.70 0.22 1.35 0.24 -1.64 112.91 113.42 1uhu h THR 12 Ca 0.17 -0.35 0.04 0.00 -0.55 0.00 0.00 66.41 65.72 1uhu h THR 12 Cb 0.16 0.99 -0.04 0.00 -1.73 0.00 0.00 68.15 67.52 1uhu h THR 12 CO -0.18 0.08 0.47 -0.07 -0.25 0.00 0.00 175.52 175.56 1uhu h LEU 13 N -0.53 0.73 -1.66 3.87 -0.00 -0.16 0.22 115.31 117.78 1uhu h LEU 13 Ca -0.04 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 57.82 1uhu h LEU 13 Cb 0.39 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.88 1uhu h LEU 13 CO 0.06 0.50 0.04 0.44 -0.00 0.00 0.00 178.44 179.47 1uhu h ASP 14 N 0.85 0.22 -0.78 -0.43 5.19 0.24 -2.07 116.42 119.64 1uhu h ASP 14 Ca 0.28 -0.02 -0.56 0.00 -0.62 0.00 0.00 57.03 56.11 1uhu h ASP 14 Cb 0.07 -0.06 -0.41 0.00 0.18 0.00 0.00 39.33 39.12 1uhu h ASP 14 CO -0.08 0.24 -0.60 1.41 -3.12 0.00 0.00 179.24 177.10 1uhu n HIS 15 N -4.42 2.79 -0.35 4.55 8.25 0.36 -4.77 115.22 121.63 1uhu n HIS 15 Ca -0.00 -2.32 0.25 0.00 -0.26 0.00 0.00 57.72 55.39 1uhu n HIS 15 Cb 0.15 -0.48 0.52 0.00 1.12 0.00 0.00 29.99 31.29 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 2.14 0.69 -1.00 4.41 -0.00 0.04 1.26 115.95 123.49 1uhu h TRP 16 Ca 0.40 0.03 0.14 0.00 -0.00 0.00 0.00 58.89 59.45 1uhu h TRP 16 Cb 1.44 -0.19 -0.09 0.00 -0.00 0.00 0.00 29.16 30.32 1uhu h TRP 16 CO 0.93 -0.01 0.62 0.77 -0.00 0.00 0.00 178.44 180.75 1uhu h SER 17 N 0.35 0.88 -0.16 2.65 0.02 -1.85 0.70 113.55 116.14 1uhu h SER 17 Ca 0.65 0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 61.57 1uhu h SER 17 Cb 1.69 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 64.12 1uhu h SER 17 CO -0.36 0.44 -0.28 -0.08 -1.14 0.00 0.00 176.83 175.41 1uhu h GLU 18 N 0.93 0.47 -0.58 3.45 4.57 0.12 -1.64 114.58 121.90 1uhu h GLU 18 Ca 0.51 -0.29 -0.01 0.00 -1.18 0.00 0.00 59.36 58.39 1uhu h GLU 18 Cb 0.58 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.18 1uhu h GLU 18 CO -0.29 0.89 0.31 0.82 -1.18 0.00 0.00 179.01 179.56 1uhu h ILE 19 N 0.09 1.18 -0.03 2.32 1.08 -0.36 0.07 117.51 121.86 1uhu h ILE 19 Ca 0.01 -0.46 -0.11 0.00 -0.39 0.00 0.00 64.86 63.90 1uhu h ILE 19 Cb 0.86 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 35.01 1uhu h ILE 19 CO 0.06 0.20 -0.51 0.03 -0.69 0.00 0.00 178.15 177.24 1uhu h ARG 20 N 0.80 0.08 -0.21 2.37 3.08 0.45 -2.94 114.38 118.02 1uhu h ARG 20 Ca 0.21 -0.05 -0.20 0.00 0.07 0.00 0.00 59.98 60.01 1uhu h ARG 20 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1uhu h ARG 20 CO -0.03 0.57 -0.67 1.03 -1.07 0.00 0.00 179.97 179.80 1uhu h SER 21 N 0.06 0.93 -0.37 7.04 0.87 -0.17 -2.97 113.55 118.94 1uhu h SER 21 Ca -0.00 -0.55 0.05 0.00 -1.23 0.00 0.00 61.79 60.06 1uhu h SER 21 Cb 0.92 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.59 1uhu h SER 21 CO 0.07 1.35 0.25 0.03 -0.53 0.00 0.00 176.83 178.00 1uhu h ARG 22 N 0.59 0.28 -0.38 2.24 2.47 -0.88 -0.51 114.38 118.19 1uhu h ARG 22 Ca -0.02 -0.02 -0.11 0.00 -1.26 0.00 0.00 59.98 58.57 1uhu h ARG 22 Cb 1.28 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.53 1uhu h ARG 22 CO 0.14 0.19 -0.20 0.00 0.56 0.00 0.00 179.97 180.66 1uhu h ALA 23 N 1.80 0.53 -0.37 0.04 0.00 -1.38 0.42 119.26 120.30 1uhu h ALA 23 Ca 0.16 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1uhu h ALA 23 Cb 0.28 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1uhu h ALA 23 CO -0.03 0.49 0.16 1.25 0.00 0.00 0.00 179.25 181.12 1uhu h HIS 24 N 0.60 0.30 -0.14 0.00 6.17 -0.99 1.82 115.15 122.90 1uhu h HIS 24 Ca 0.08 0.02 -0.15 0.00 0.71 0.00 0.00 60.37 61.03 1uhu h HIS 24 Cb 0.75 -0.08 -0.01 0.00 2.52 0.00 0.00 27.41 30.60 1uhu h HIS 24 CO 0.06 0.14 -0.55 -0.97 0.71 0.00 0.00 177.93 177.32 1uhu h ASN 25 N 0.34 0.48 0.03 3.26 -0.73 -1.24 -2.15 115.58 115.57 1uhu h ASN 25 Ca 0.16 -0.26 0.00 0.00 1.87 0.00 0.00 56.30 58.08 1uhu h ASN 25 Cb 0.11 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 38.56 1uhu h ASN 25 CO -0.14 0.93 -0.00 0.18 -0.37 0.00 0.00 177.43 178.03 1uhu n LEU 26 N -3.94 0.35 -3.72 0.34 4.77 0.15 -4.90 117.00 110.05 1uhu n LEU 26 Ca -0.03 -0.10 -0.23 0.00 -0.03 0.00 0.00 56.01 55.62 1uhu n LEU 26 Cb 0.60 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.71 1uhu n LEU 26 CO 0.46 0.06 0.01 -0.24 -1.33 0.00 0.00 177.39 176.34 1uhu n SER 27 N -0.75 -2.39 -4.05 -1.43 2.88 0.53 -4.98 113.62 103.42 1uhu n SER 27 Ca 0.22 -0.77 -0.08 0.00 -1.33 0.00 0.00 58.87 56.91 1uhu n SER 27 Cb 0.18 -4.18 -0.10 0.00 -0.75 0.00 0.00 64.21 59.36 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 -3.54 0.19 -0.03 2.46 -7.23 0.36 -4.99 120.40 107.63 1uhu s VAL 28 Ca 0.19 -1.56 0.07 0.00 -1.81 0.00 0.00 61.98 58.87 1uhu s VAL 28 Cb -0.09 -1.23 -0.02 0.00 0.56 0.00 0.00 36.38 35.60 1uhu s VAL 28 CO 0.80 -0.86 -0.25 -1.61 -0.31 0.00 0.00 175.10 172.87 1uhu s GLU 29 N -3.37 2.13 0.23 4.82 2.02 -1.26 -3.82 118.70 119.44 1uhu s GLU 29 Ca 0.02 -0.88 -0.01 0.00 0.02 0.00 0.00 54.97 54.12 1uhu s GLU 29 Cb 0.04 -1.98 -0.03 0.00 0.10 0.00 0.00 34.13 32.25 1uhu s GLU 29 CO -0.08 0.49 0.20 0.96 0.02 0.00 0.00 175.26 176.85 1uhu s ILE 30 N -0.47 0.00 0.32 -1.63 -4.36 -1.26 -4.92 121.20 108.88 1uhu s ILE 30 Ca 0.06 -1.94 0.07 0.00 -0.26 0.00 0.00 60.65 58.58 1uhu s ILE 30 Cb -0.11 -2.48 -0.06 0.00 1.25 0.00 0.00 42.46 41.06 1uhu s ILE 30 CO 0.00 0.00 -0.03 -0.54 0.24 0.00 0.00 174.94 174.61 1uhu s LYS 31 N -3.98 1.69 0.04 0.37 1.02 -1.26 -5.03 119.74 112.59 1uhu s LYS 31 Ca 0.38 -1.90 0.24 0.00 0.02 0.00 0.00 55.97 54.71 1uhu s LYS 31 Cb 0.05 -1.28 0.23 0.00 -0.52 0.00 0.00 37.83 36.32 1uhu s LYS 31 CO 0.15 -0.01 1.20 1.17 -0.92 0.00 0.00 175.35 176.95 1uhu n LYS 32 N -0.71 0.17 -0.08 1.68 4.81 -1.26 -2.69 118.16 120.09 1uhu n LYS 32 Ca -0.05 0.02 -0.15 0.00 -0.87 0.00 0.00 58.31 57.26 1uhu n LYS 32 Cb 0.65 -1.57 -0.12 0.00 0.02 0.00 0.00 35.03 34.00 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 4.72 0.00 1.33 3.14 0.00 -2.00 -3.27 103.07 107.00 1uhu h GLY 33 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 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 0.62 -0.68 4.80 0.13 -1.99 -2.18 132.00 131.71 1uhu h PRO 34 Ca -0.07 -0.60 0.14 0.00 -0.87 0.00 0.00 66.00 64.61 1uhu h PRO 34 Cb 1.01 0.16 -0.11 0.00 0.13 0.00 0.00 31.00 32.18 1uhu h PRO 34 CO -0.04 1.21 0.07 2.35 -0.23 0.00 0.00 178.00 181.36 1uhu h TRP 35 N 0.38 0.08 -0.03 1.56 2.91 -1.68 1.51 115.95 120.68 1uhu h TRP 35 Ca -0.09 0.05 -0.01 0.00 1.13 0.00 0.00 58.89 59.97 1uhu h TRP 35 Cb 1.55 0.07 -0.00 0.00 -0.51 0.00 0.00 29.16 30.27 1uhu h TRP 35 CO 0.08 -0.14 -0.03 -0.09 -1.03 0.00 0.00 178.44 177.23 1uhu h ARG 36 N 0.17 0.08 -0.10 2.65 9.65 -1.60 -2.51 114.38 122.72 1uhu h ARG 36 Ca 0.37 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 59.25 1uhu h ARG 36 Cb 0.61 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.14 1uhu h ARG 36 CO -0.53 0.53 -0.20 1.15 2.80 0.00 0.00 179.97 183.72 1uhu h THR 37 N -0.37 0.50 -0.41 0.20 2.02 -0.47 1.17 112.91 115.55 1uhu h THR 37 Ca 0.01 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.30 1uhu h THR 37 Cb 0.52 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1uhu h THR 37 CO 0.01 0.00 0.30 -0.26 0.37 0.00 0.00 175.52 175.93 1uhu h PHE 38 N -0.27 0.01 -0.55 3.16 0.04 0.20 0.78 116.94 120.31 1uhu h PHE 38 Ca 0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.86 1uhu h PHE 38 Cb 0.40 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.55 1uhu h PHE 38 CO -0.29 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.42 1uhu n ALA 40 N 0.83 0.77 -2.51 0.00 0.00 0.38 -4.70 120.51 115.28 1uhu n ALA 40 Ca 0.23 -0.71 -0.02 0.00 0.00 0.00 0.00 53.44 52.93 1uhu n ALA 40 Cb 0.79 0.02 0.04 0.00 0.00 0.00 0.00 19.45 20.30 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 -4.50 -0.22 -0.03 0.00 2.88 -0.86 -4.82 113.62 106.07 1uhu n SER 41 Ca -0.14 -2.08 -0.06 0.00 -1.33 0.00 0.00 58.87 55.26 1uhu n SER 41 Cb 0.46 0.15 -0.02 0.00 -0.75 0.00 0.00 64.21 64.05 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 -0.58 0.12 0.02 -1.46 4.07 -1.19 -4.31 120.64 117.31 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 -0.12 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 0.64 0.00 4.31 6.55 -0.89 -3.04 115.95 123.31 1uhu h TRP 43 Ca -0.15 -0.37 0.00 0.00 0.95 0.00 0.00 58.89 59.32 1uhu h TRP 43 Cb 1.12 -0.07 0.00 0.00 -0.86 0.00 0.00 29.16 29.36 1uhu h TRP 43 CO -0.02 1.20 0.00 -0.35 -1.05 0.00 0.00 178.44 178.22 1uhu n PRO 44 N -4.16 0.75 -0.31 0.49 -0.04 -1.26 -2.25 135.00 128.23 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 0.72 -1.41 0.20 0.00 -0.04 0.00 0.00 33.50 32.97 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 2.12 0.97 0.52 -2.24 -1.15 -4.48 114.28 109.11 1uhu n THR 45 Ca 0.15 -2.20 0.11 0.00 -2.27 0.00 0.00 64.05 59.84 1uhu n THR 45 Cb 0.07 -0.25 0.04 0.00 -2.10 0.00 0.00 70.33 68.09 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 -1.02 0.00 -2.86 4.78 3.01 -0.95 -4.95 117.46 115.47 1uhu n PHE 46 Ca 0.20 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.57 1uhu n PHE 46 Cb 0.78 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.26 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 0.59 -7.86 0.00 4.37 9.92 -1.26 -4.97 116.55 117.34 1uhu n ASP 47 Ca 0.11 0.63 0.00 0.00 -0.53 0.00 0.00 54.79 55.01 1uhu n ASP 47 Cb 0.51 -5.20 0.00 0.00 -0.64 0.00 0.00 41.12 35.80 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 -0.14 0.00 0.00 2.53 0.24 -1.26 -5.05 118.33 114.65 1uhu n VAL 48 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 1uhu n VAL 48 Cb 0.41 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.67 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 -0.43 0.20 3.51 7.63 0.00 -1.26 -5.13 105.19 109.71 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 -0.38 3.13 0.85 1.61 -0.11 -1.26 -5.00 118.94 117.78 1uhu s TRP 50 Ca 0.00 -0.24 -0.12 0.00 1.22 0.00 0.00 56.10 56.96 1uhu s TRP 50 Cb 0.00 -2.18 0.10 0.00 -1.50 0.00 0.00 33.47 29.89 1uhu s TRP 50 CO 0.00 -0.18 1.12 -1.25 -4.62 0.00 0.00 176.95 172.02 1uhu s PRO 51 N 1.18 1.64 0.38 5.86 0.04 -1.26 -4.16 135.00 138.67 1uhu s PRO 51 Ca 0.04 0.47 0.20 0.00 0.04 0.00 0.00 61.00 61.76 1uhu s PRO 51 Cb -0.14 -1.88 0.58 0.00 0.04 0.00 0.00 34.50 33.09 1uhu s PRO 51 CO 0.03 -1.89 1.68 -1.00 0.04 0.00 0.00 177.00 175.86 1uhu h PRO 52 N -1.28 0.00 0.00 0.56 0.13 -1.88 -2.90 132.00 126.63 1uhu h PRO 52 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1uhu h PRO 52 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1uhu h PRO 52 CO 0.61 0.31 -0.39 0.93 -0.23 0.00 0.00 178.00 179.23 1uhu h GLU 53 N 0.00 0.00 0.00 0.86 4.39 -1.93 -3.43 114.58 114.47 1uhu h GLU 53 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1uhu h GLU 53 Cb 0.99 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1uhu h GLU 53 CO 0.04 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.30 1uhu n GLY 54 N 1.14 -3.94 3.59 -3.84 0.00 -1.10 -1.49 105.19 99.55 1uhu n GLY 54 Ca 0.02 -2.06 -0.12 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.89 0.00 -0.46 2.61 -1.32 -1.26 -4.65 115.64 109.67 1uhu s THR 55 Ca 0.00 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.52 1uhu s THR 55 Cb 0.00 -1.00 0.65 0.00 -1.51 0.00 0.00 72.50 70.64 1uhu s THR 55 CO 0.00 0.00 1.91 0.49 -2.21 0.00 0.00 174.62 174.81 1uhu n PHE 56 N 1.39 3.04 -3.07 9.09 3.72 -1.26 -4.81 117.46 125.56 1uhu n PHE 56 Ca -0.13 -1.92 -0.43 0.00 -0.05 0.00 0.00 57.45 54.92 1uhu n PHE 56 Cb 0.57 -0.97 -0.06 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 -1.37 6.27 0.38 4.37 2.15 -1.26 -4.73 116.67 122.48 1uhu s ASP 57 Ca 0.57 -0.68 0.19 0.00 0.43 0.00 0.00 52.55 53.06 1uhu s ASP 57 Cb 0.48 -2.33 1.16 0.00 -0.30 0.00 0.00 42.92 41.93 1uhu s ASP 57 CO 0.10 -0.96 1.69 0.25 -0.17 0.00 0.00 175.17 176.08 1uhu h LEU 58 N 10.04 0.44 0.01 -1.34 5.85 -1.95 0.80 115.31 129.16 1uhu h LEU 58 Ca -0.27 0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.60 1uhu h LEU 58 Cb 1.09 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 1uhu h LEU 58 CO 0.99 -0.06 -0.08 0.74 -0.34 0.00 0.00 178.44 179.69 1uhu h THR 59 N 0.31 0.80 -0.20 1.05 2.02 -1.98 1.49 112.91 116.39 1uhu h THR 59 Ca 0.71 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.75 1uhu h THR 59 Cb 1.81 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 69.02 1uhu h THR 59 CO -0.45 0.00 -0.43 0.58 0.37 0.00 0.00 175.52 175.59 1uhu h VAL 60 N -0.14 1.31 0.25 3.16 2.07 -0.45 -2.63 116.25 119.81 1uhu h VAL 60 Ca 0.03 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 65.94 1uhu h VAL 60 Cb 0.17 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1uhu h VAL 60 CO -0.07 0.50 -0.12 0.40 0.02 0.00 0.00 177.57 178.29 1uhu h ILE 61 N 0.40 0.81 -0.31 4.57 2.04 0.92 -2.27 117.51 123.68 1uhu h ILE 61 Ca 0.03 -0.51 0.09 0.00 1.00 0.00 0.00 64.86 65.47 1uhu h ILE 61 Cb 0.91 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1uhu h ILE 61 CO 0.08 0.11 0.37 -0.26 0.00 0.00 0.00 178.15 178.45 1uhu h PHE 62 N -0.60 0.00 0.10 1.37 -1.00 0.21 0.90 116.94 117.92 1uhu h PHE 62 Ca -0.03 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.74 1uhu h PHE 62 Cb 0.44 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.00 1uhu h PHE 62 CO 0.01 0.00 -0.05 0.93 -1.61 0.00 0.00 178.31 177.59 1uhu h GLU 63 N 0.00 -0.13 -0.36 1.51 4.39 -1.07 0.15 114.58 119.08 1uhu h GLU 63 Ca 0.15 0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.71 1uhu h GLU 63 Cb 0.89 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 1uhu h GLU 63 CO -0.00 0.38 -0.35 0.28 -1.16 0.00 0.00 179.01 178.16 1uhu h VAL 64 N -0.79 1.28 -0.00 3.13 2.07 -0.62 -2.48 116.25 118.83 1uhu h VAL 64 Ca -0.01 -1.52 -0.00 0.00 0.82 0.00 0.00 66.70 65.98 1uhu h VAL 64 Cb 0.57 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1uhu h VAL 64 CO 0.02 0.50 0.00 0.50 0.02 0.00 0.00 177.57 178.62 1uhu h LYS 65 N 0.69 0.00 -0.17 1.57 3.64 0.69 0.03 116.57 123.02 1uhu h LYS 65 Ca 0.07 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.49 1uhu h LYS 65 Cb 0.92 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 1uhu h LYS 65 CO 0.08 0.20 0.25 0.00 -2.27 0.00 0.00 179.45 177.71 1uhu h ALA 66 N 0.81 1.69 0.05 5.00 0.00 -0.62 1.85 119.26 128.03 1uhu h ALA 66 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1uhu h ALA 66 Cb 0.20 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1uhu h ALA 66 CO -0.00 -0.33 -0.32 0.82 0.00 0.00 0.00 179.25 179.41 1uhu h ILE 67 N 0.00 1.66 -0.15 0.00 2.04 -0.83 -3.03 117.51 117.20 1uhu h ILE 67 Ca 0.08 -2.35 -0.14 0.00 1.00 0.00 0.00 64.86 63.46 1uhu h ILE 67 Cb 0.57 3.23 -0.01 0.00 -0.74 0.00 0.00 36.82 39.87 1uhu h ILE 67 CO -0.00 0.63 -0.50 -0.37 0.00 0.00 0.00 178.15 177.92 1uhu h VAL 68 N -0.70 1.33 -0.74 1.67 -1.51 0.92 -2.95 116.25 114.27 1uhu h VAL 68 Ca -0.05 -1.73 -0.49 0.00 -1.23 0.00 0.00 66.70 63.19 1uhu h VAL 68 Cb 1.22 1.76 -0.22 0.00 -2.13 0.00 0.00 31.29 31.93 1uhu h VAL 68 CO 0.06 0.53 0.63 0.49 -1.23 0.00 0.00 177.57 178.05 1uhu n PHE 69 N -3.97 2.39 -2.90 5.19 3.72 0.61 -0.82 117.46 121.67 1uhu n PHE 69 Ca -0.02 -2.41 -0.23 0.00 -0.05 0.00 0.00 57.45 54.74 1uhu n PHE 69 Cb 0.56 -1.17 0.02 0.00 -0.94 0.00 0.00 39.48 37.95 1uhu n PHE 69 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 1uhu s GLN 70 N -2.80 2.99 -0.07 -1.08 -2.07 -1.11 -4.85 119.66 110.67 1uhu s GLN 70 Ca 0.48 -0.50 0.17 0.00 -1.82 0.00 0.00 55.36 53.68 1uhu s GLN 70 Cb 0.38 -2.53 0.56 0.00 -1.09 0.00 0.00 33.01 30.32 1uhu s GLN 70 CO 0.00 -0.35 1.48 -3.47 -1.32 0.00 0.00 175.29 171.63 1uhu n ASP 71 N -2.14 3.96 -0.96 12.60 -0.08 -1.26 -4.53 116.55 124.14 1uhu n ASP 71 Ca 0.02 -2.31 0.00 0.00 -1.51 0.00 0.00 54.79 50.99 1uhu n ASP 71 Cb 0.58 -0.46 0.00 0.00 2.34 0.00 0.00 41.12 43.58 1uhu n ASP 71 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1uhu n GLY 72 N 0.82 2.66 0.00 0.27 0.00 -1.26 -4.98 105.19 102.70 1uhu n GLY 72 Ca 0.21 -2.09 0.12 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.39 0.52 -1.18 1.61 -0.04 -1.26 -2.83 135.00 131.42 1uhu n PRO 73 Ca 0.00 0.04 -0.20 0.00 -0.04 0.00 0.00 63.50 63.30 1uhu n PRO 73 Cb 0.00 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.17 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 0.58 4.33 3.81 0.55 0.00 -1.26 -4.96 105.19 108.24 1uhu n GLY 74 Ca 0.14 -1.07 -0.37 0.00 0.00 0.00 0.00 46.02 44.72 1uhu n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uhu s SER 75 N -1.27 7.10 -0.34 1.61 1.04 -1.13 -4.20 113.70 116.51 1uhu s SER 75 Ca 0.56 1.41 -0.01 0.00 0.48 0.00 0.00 55.95 58.40 1uhu s SER 75 Cb 0.47 -2.42 0.12 0.00 0.10 0.00 0.00 66.02 64.30 1uhu s SER 75 CO 0.11 0.10 0.18 -1.00 0.98 0.00 0.00 173.24 173.61 1uhu s HIS 76 N -1.40 0.88 -1.42 5.02 0.09 0.00 -4.96 115.29 113.50 1uhu s HIS 76 Ca 0.39 -1.53 0.23 0.00 -0.00 0.00 0.00 55.06 54.15 1uhu s HIS 76 Cb -0.18 -1.12 1.14 0.00 -0.00 0.00 0.00 32.58 32.42 1uhu s HIS 76 CO 0.22 -0.83 1.74 -0.35 -0.00 0.00 0.00 174.74 175.52 1uhu n PRO 77 N 4.41 0.32 0.02 8.40 -0.04 -1.26 -0.99 135.00 145.86 1uhu n PRO 77 Ca 0.05 0.07 -0.21 0.00 -0.04 0.00 0.00 63.50 63.38 1uhu n PRO 77 Cb 0.39 -1.50 -0.14 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 0.43 1.00 3.54 5.19 -1.94 -3.35 116.42 121.29 1uhu h ASP 78 Ca 0.00 -0.86 0.00 0.00 -0.62 0.00 0.00 57.03 55.55 1uhu h ASP 78 Cb 0.22 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.59 1uhu h ASP 78 CO 0.00 1.76 -0.67 1.56 -3.12 0.00 0.00 179.24 178.77 1uhu h GLN 79 N 0.08 0.00 -0.58 3.56 4.20 -1.90 -3.35 115.11 117.11 1uhu h GLN 79 Ca -0.39 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.44 1uhu h GLN 79 Cb 2.05 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 29.73 1uhu h GLN 79 CO 0.11 0.00 -0.06 1.96 -0.67 0.00 0.00 178.83 180.17 1uhu h GLN 80 N 0.00 0.06 0.00 1.46 4.20 -1.20 0.99 115.11 120.62 1uhu h GLN 80 Ca 0.00 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 1uhu h GLN 80 Cb 0.84 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1uhu h GLN 80 CO 0.00 0.04 -0.35 -1.00 -0.67 0.00 0.00 178.83 176.85 1uhu h PRO 81 N 0.06 0.00 -0.01 1.46 0.13 -1.76 -1.44 132.00 130.44 1uhu h PRO 81 Ca 0.29 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.41 1uhu h PRO 81 Cb 0.46 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.59 1uhu h PRO 81 CO -0.54 0.35 -0.03 1.88 -0.23 0.00 0.00 178.00 179.43 1uhu h TYR 82 N 0.00 0.05 -0.24 1.56 -1.99 -0.73 -3.10 116.97 112.52 1uhu h TYR 82 Ca -0.00 -0.02 -0.12 0.00 2.00 0.00 0.00 58.73 60.59 1uhu h TYR 82 Cb 1.02 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.73 1uhu h TYR 82 CO 0.00 0.68 -0.36 0.97 -0.00 0.00 0.00 178.16 179.45 1uhu h ILE 83 N -0.60 1.29 -0.71 -2.88 6.09 0.79 -2.94 117.51 118.55 1uhu h ILE 83 Ca -0.00 -1.48 0.15 0.00 -1.37 0.00 0.00 64.86 62.15 1uhu h ILE 83 Cb 0.68 1.50 -0.10 0.00 0.47 0.00 0.00 36.82 39.37 1uhu h ILE 83 CO 0.01 0.47 0.18 0.74 -3.07 0.00 0.00 178.15 176.48 1uhu h THR 84 N 0.44 0.56 -0.54 2.19 2.02 -1.29 0.28 112.91 116.58 1uhu h THR 84 Ca 0.05 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 1uhu h THR 84 Cb 0.83 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1uhu h THR 84 CO 0.07 0.05 0.22 0.58 0.37 0.00 0.00 175.52 176.81 1uhu h VAL 85 N 0.29 1.22 -0.06 3.16 2.07 -1.44 -1.09 116.25 120.40 1uhu h VAL 85 Ca 0.39 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 67.28 1uhu h VAL 85 Cb 0.64 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1uhu h VAL 85 CO -0.47 0.26 -0.17 -0.50 0.02 0.00 0.00 177.57 176.71 1uhu h TRP 86 N 0.73 -0.43 -0.74 1.57 4.06 -0.65 0.57 115.95 121.07 1uhu h TRP 86 Ca 0.18 0.02 0.12 0.00 2.06 0.00 0.00 58.89 61.27 1uhu h TRP 86 Cb 0.19 0.20 -0.05 0.00 -1.00 0.00 0.00 29.16 28.50 1uhu h TRP 86 CO 0.01 -0.24 0.49 0.37 -3.56 0.00 0.00 178.44 175.50 1uhu h GLN 87 N -0.24 0.50 -0.19 0.49 -0.00 -0.26 0.13 115.11 115.53 1uhu h GLN 87 Ca 0.07 -0.03 -0.18 0.00 -0.00 0.00 0.00 58.65 58.51 1uhu h GLN 87 Cb 0.34 -0.11 -0.00 0.00 0.00 0.00 0.00 27.48 27.71 1uhu h GLN 87 CO -0.20 0.33 -0.61 0.22 0.00 0.00 0.00 178.83 178.56 1uhu h ASP 88 N 0.51 0.75 -0.64 -0.69 1.82 0.36 -2.52 116.42 116.01 1uhu h ASP 88 Ca 0.35 -0.43 0.09 0.00 -0.39 0.00 0.00 57.03 56.65 1uhu h ASP 88 Cb 0.67 -0.22 -0.07 0.00 0.68 0.00 0.00 39.33 40.39 1uhu h ASP 88 CO -0.12 1.18 0.28 -0.07 -1.61 0.00 0.00 179.24 178.91 1uhu h LEU 89 N 0.49 0.34 0.30 2.28 -0.00 0.28 0.61 115.31 119.61 1uhu h LEU 89 Ca -0.01 0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 57.92 1uhu h LEU 89 Cb 1.19 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.87 1uhu h LEU 89 CO 0.12 0.20 -0.15 0.58 -0.00 0.00 0.00 178.44 179.20 1uhu h VAL 90 N 0.50 0.73 0.17 1.22 2.07 -1.29 -2.24 116.25 117.40 1uhu h VAL 90 Ca 0.31 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 1uhu h VAL 90 Cb 0.34 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1uhu h VAL 90 CO -0.27 0.06 -0.21 1.56 0.02 0.00 0.00 177.57 178.73 1uhu h GLN 91 N -0.55 -0.38 -3.16 1.57 1.08 -0.93 -3.06 115.11 109.69 1uhu h GLN 91 Ca -0.04 0.03 -0.76 0.00 -1.45 0.00 0.00 58.65 56.43 1uhu h GLN 91 Cb 0.41 0.09 -0.16 0.00 -0.05 0.00 0.00 27.48 27.77 1uhu h GLN 91 CO 0.07 -0.25 2.04 0.09 -0.95 0.00 0.00 178.83 179.83 1uhu n ASN 92 N -3.62 6.14 -4.59 1.46 3.02 0.21 -4.97 115.26 112.90 1uhu n ASN 92 Ca -0.05 -3.15 -0.53 0.00 -0.03 0.00 0.00 54.58 50.82 1uhu n ASN 92 Cb 0.19 -1.42 -0.07 0.00 -0.61 0.00 0.00 39.78 37.87 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 2.93 2.48 -4.80 6.41 3.41 -0.84 -4.69 113.62 118.52 1uhu n SER 93 Ca 0.46 0.79 -0.30 0.00 -0.26 0.00 0.00 58.87 59.56 1uhu n SER 93 Cb 0.32 -1.23 0.10 0.00 -0.26 0.00 0.00 64.21 63.14 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 4.77 1.96 0.39 4.33 0.04 -1.26 -4.82 135.00 140.42 1uhu s PRO 94 Ca 1.02 0.59 0.21 0.00 0.04 0.00 0.00 61.00 62.86 1uhu s PRO 94 Cb -0.92 -1.91 0.60 0.00 0.04 0.00 0.00 34.50 32.31 1uhu s PRO 94 CO 0.56 -1.70 1.69 -1.00 0.04 0.00 0.00 177.00 176.59 1uhu h PRO 95 N -1.14 0.00 -0.00 0.56 0.13 -1.92 0.10 132.00 129.73 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 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1uhu h PRO 95 CO 0.60 0.28 -0.02 -2.67 -0.23 0.00 0.00 178.00 175.96 1uhu n TRP 96 N -3.30 0.00 -0.06 1.56 4.27 -1.26 -3.95 117.44 114.70 1uhu n TRP 96 Ca 0.01 0.00 -0.07 0.00 -3.89 0.00 0.00 57.50 53.55 1uhu n TRP 96 Cb 0.53 -0.39 -0.02 0.00 -1.36 0.00 0.00 31.31 30.07 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 -1.39 1.44 -4.12 -1.67 5.41 -0.90 -5.02 119.36 113.11 1uhu n ILE 97 Ca 0.10 0.20 -0.17 0.00 1.00 0.00 0.00 62.75 63.88 1uhu n ILE 97 Cb 0.30 -2.17 -0.15 0.00 -0.71 0.00 0.00 39.64 36.90 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 -2.70 0.52 0.29 0.38 -0.14 0.31 -5.02 119.74 113.38 1uhu s LYS 98 Ca -0.22 -0.11 0.10 0.00 -1.36 0.00 0.00 55.97 54.38 1uhu s LYS 98 Cb 0.03 -0.56 -0.05 0.00 -1.68 0.00 0.00 37.83 35.58 1uhu s LYS 98 CO 0.33 0.00 -0.04 -1.54 -0.76 0.00 0.00 175.35 173.34 1uhu s SER 99 N 0.43 4.22 -0.25 2.83 1.04 -1.26 -3.99 113.70 116.72 1uhu s SER 99 Ca -0.05 -0.83 -0.10 0.00 0.48 0.00 0.00 55.95 55.46 1uhu s SER 99 Cb -0.08 -0.63 -0.04 0.00 0.10 0.00 0.00 66.02 65.36 1uhu s SER 99 CO -0.00 -0.05 0.14 -0.83 0.98 0.00 0.00 173.24 173.47 1uhu s GLY 100 N -3.65 1.90 -1.18 7.32 0.00 -1.26 -4.99 107.32 105.46 1uhu s GLY 100 Ca 0.32 -1.02 -0.10 0.00 0.00 0.00 0.00 44.72 43.92 1uhu s GLY 100 CO 0.19 0.50 2.36 -1.55 0.00 0.00 0.00 173.10 174.59 1uhu n PRO 101 N 4.69 2.59 -2.58 2.90 -0.04 -1.26 -4.88 135.00 136.42 1uhu n PRO 101 Ca -0.15 -1.88 -0.42 0.00 -0.04 0.00 0.00 63.50 61.00 1uhu n PRO 101 Cb 0.52 -2.73 -0.02 0.00 -0.04 0.00 0.00 33.50 31.22 1uhu n PRO 101 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1uhu s SER 102 N 3.25 6.45 -0.88 3.54 0.15 -1.26 -4.95 113.70 119.99 1uhu s SER 102 Ca 0.52 0.13 -0.23 0.00 0.70 0.00 0.00 55.95 57.07 1uhu s SER 102 Cb 0.14 -2.55 0.06 0.00 -1.71 0.00 0.00 66.02 61.96 1uhu s SER 102 CO -0.03 -1.48 1.28 -0.55 1.20 0.00 0.00 173.24 173.66 1uhu s SER 103 N 2.98 6.39 0.00 5.45 0.15 -1.26 -5.32 113.70 122.09 1uhu s SER 103 Ca 0.44 -1.23 0.00 0.00 0.70 0.00 0.00 55.95 55.85 1uhu s SER 103 Cb -0.07 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1uhu s SER 103 CO 0.26 -1.50 0.00 0.61 1.20 0.00 0.00 173.24 173.80