#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 -7.39 0.12 1.61 7.64 -1.26 -4.95 113.62 109.39 1uhu n SER 1 Ca 0.00 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1uhu n SER 1 Cb 0.00 -4.32 0.00 0.00 -1.01 0.00 0.00 64.21 58.88 1uhu n SER 1 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1uhu n SER 2 N 0.92 -2.12 0.00 6.43 2.88 -1.26 -5.15 113.62 115.32 1uhu n SER 2 Ca -0.02 0.69 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 1uhu n SER 2 Cb 0.15 2.20 0.00 0.00 -0.75 0.00 0.00 64.21 65.82 1uhu n SER 2 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uhu n GLY 3 N -1.26 0.60 1.39 0.46 0.00 -1.26 -5.17 105.19 99.95 1uhu n GLY 3 Ca 0.00 0.45 0.17 0.00 0.00 0.00 0.00 46.02 46.64 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 -7.64 -3.83 1.61 2.88 -1.26 -4.85 113.62 100.53 1uhu n SER 4 Ca 0.00 1.38 -0.23 0.00 -1.33 0.00 0.00 58.87 58.69 1uhu n SER 4 Cb 0.00 -4.77 0.13 0.00 -0.75 0.00 0.00 64.21 58.82 1uhu n SER 4 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1uhu n SER 5 N -4.26 -2.77 -4.68 -3.46 3.41 -1.26 -4.78 113.62 95.83 1uhu n SER 5 Ca -0.09 -0.25 -0.42 0.00 -0.26 0.00 0.00 58.87 57.85 1uhu n SER 5 Cb 0.66 -0.76 -0.03 0.00 -0.26 0.00 0.00 64.21 63.83 1uhu n SER 5 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1uhu s GLY 6 N -1.74 1.58 0.26 5.00 0.00 -1.26 -5.00 107.32 106.16 1uhu s GLY 6 Ca 0.38 1.06 0.06 0.00 0.00 0.00 0.00 44.72 46.22 1uhu s GLY 6 CO 0.43 2.93 0.37 -0.51 0.00 0.00 0.00 173.10 176.32 1uhu s THR 7 N 3.26 4.91 -0.01 0.90 -4.23 -1.26 -5.04 115.64 114.17 1uhu s THR 7 Ca 0.73 -1.03 -0.22 0.00 -1.18 0.00 0.00 61.69 59.99 1uhu s THR 7 Cb -0.36 -3.72 -0.22 0.00 1.34 0.00 0.00 72.50 69.54 1uhu s THR 7 CO 0.31 -0.29 1.10 1.55 -0.54 0.00 0.00 174.62 176.75 1uhu h PRO 8 N 1.14 0.30 -0.34 3.99 0.13 -1.83 -1.60 132.00 133.79 1uhu h PRO 8 Ca -0.50 -0.29 0.05 0.00 -0.87 0.00 0.00 66.00 64.38 1uhu h PRO 8 Cb 1.24 0.08 -0.04 0.00 0.13 0.00 0.00 31.00 32.40 1uhu h PRO 8 CO 0.59 0.98 0.09 1.25 -0.23 0.00 0.00 178.00 180.68 1uhu h LEU 9 N -0.26 0.06 -1.48 1.56 5.85 -1.69 0.59 115.31 119.93 1uhu h LEU 9 Ca -0.04 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1uhu h LEU 9 Cb 1.09 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1uhu h LEU 9 CO 0.08 0.07 -0.25 -1.28 -0.34 0.00 0.00 178.44 176.71 1uhu h SER 10 N 0.22 0.00 0.08 1.25 0.87 -1.82 0.13 113.55 114.28 1uhu h SER 10 Ca 0.16 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.51 1uhu h SER 10 Cb 0.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1uhu h SER 10 CO -0.19 0.25 -0.81 -0.07 -0.53 0.00 0.00 176.83 175.48 1uhu h LEU 11 N 0.00 0.71 0.16 2.23 3.38 0.10 -1.45 115.31 120.44 1uhu h LEU 11 Ca -0.00 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 1uhu h LEU 11 Cb 0.54 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1uhu h LEU 11 CO 0.03 1.27 -0.08 0.71 0.09 0.00 0.00 178.44 180.46 1uhu h THR 12 N 0.39 0.83 -0.88 0.22 1.35 0.66 -2.67 112.91 112.81 1uhu h THR 12 Ca -0.06 -1.15 0.13 0.00 -0.55 0.00 0.00 66.41 64.79 1uhu h THR 12 Cb 1.42 1.41 -0.07 0.00 -1.73 0.00 0.00 68.15 69.18 1uhu h THR 12 CO 0.15 0.22 0.57 -0.07 -0.25 0.00 0.00 175.52 176.14 1uhu h LEU 13 N -0.87 0.69 -1.75 3.87 -0.00 -0.86 0.79 115.31 117.17 1uhu h LEU 13 Ca -0.02 0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 57.86 1uhu h LEU 13 Cb 0.52 -0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 41.07 1uhu h LEU 13 CO 0.04 0.37 -0.16 0.44 -0.00 0.00 0.00 178.44 179.12 1uhu h ASP 14 N 0.74 0.00 -0.96 -0.43 3.32 -1.27 -2.56 116.42 115.25 1uhu h ASP 14 Ca 0.43 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.94 1uhu h ASP 14 Cb 0.61 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 39.74 1uhu h ASP 14 CO -0.19 0.16 -0.82 1.41 -1.72 0.00 0.00 179.24 178.08 1uhu n HIS 15 N -3.81 2.83 -0.30 4.55 8.25 0.24 -4.79 115.22 122.19 1uhu n HIS 15 Ca -0.02 -2.49 0.12 0.00 -0.26 0.00 0.00 57.72 55.07 1uhu n HIS 15 Cb 0.27 -0.26 0.36 0.00 1.12 0.00 0.00 29.99 31.47 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 2.34 0.90 -0.68 4.41 -0.00 -0.20 0.21 115.95 122.92 1uhu h TRP 16 Ca 0.31 0.03 0.11 0.00 -0.00 0.00 0.00 58.89 59.33 1uhu h TRP 16 Cb 1.34 -0.28 -0.08 0.00 -0.00 0.00 0.00 29.16 30.14 1uhu h TRP 16 CO 0.81 0.30 0.29 1.03 -0.00 0.00 0.00 178.44 180.87 1uhu h SER 17 N 0.73 0.32 -0.52 2.65 0.87 -1.86 0.99 113.55 116.74 1uhu h SER 17 Ca 0.49 0.08 -0.09 0.00 -1.23 0.00 0.00 61.79 61.03 1uhu h SER 17 Cb 0.77 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.75 1uhu h SER 17 CO -0.25 0.17 -0.04 -0.08 -0.53 0.00 0.00 176.83 176.10 1uhu h GLU 18 N 0.48 0.94 -0.25 2.24 4.57 -0.97 -1.06 114.58 120.53 1uhu h GLU 18 Ca 0.35 -0.32 -0.08 0.00 -1.18 0.00 0.00 59.36 58.13 1uhu h GLU 18 Cb 0.44 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1uhu h GLU 18 CO -0.32 0.98 -0.19 0.82 -1.18 0.00 0.00 179.01 179.12 1uhu h ILE 19 N 0.80 1.25 0.00 2.32 1.08 -0.04 0.20 117.51 123.12 1uhu h ILE 19 Ca 0.14 -1.13 -0.08 0.00 -0.39 0.00 0.00 64.86 63.40 1uhu h ILE 19 Cb 0.58 1.27 -0.01 0.00 -3.07 0.00 0.00 36.82 35.59 1uhu h ILE 19 CO 0.03 0.36 -0.40 0.03 -0.69 0.00 0.00 178.15 177.49 1uhu h ARG 20 N 0.41 0.00 0.06 2.37 3.08 0.13 -2.77 114.38 117.66 1uhu h ARG 20 Ca 0.07 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.02 1uhu h ARG 20 Cb 0.57 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.63 1uhu h ARG 20 CO 0.04 0.40 -0.41 0.77 -1.07 0.00 0.00 179.97 179.70 1uhu h SER 21 N 0.00 0.26 -1.00 7.04 0.02 -0.40 -2.76 113.55 116.70 1uhu h SER 21 Ca -0.00 -0.93 0.17 0.00 -0.84 0.00 0.00 61.79 60.19 1uhu h SER 21 Cb 0.87 -0.08 -0.10 0.00 0.14 0.00 0.00 62.40 63.22 1uhu h SER 21 CO 0.05 1.17 0.62 0.03 -1.14 0.00 0.00 176.83 177.56 1uhu h ARG 22 N -0.61 0.79 -0.14 3.45 2.47 -0.94 0.47 114.38 119.87 1uhu h ARG 22 Ca -0.07 -0.05 -0.14 0.00 -1.26 0.00 0.00 59.98 58.46 1uhu h ARG 22 Cb 1.28 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 29.41 1uhu h ARG 22 CO 0.08 0.53 -0.52 0.00 0.56 0.00 0.00 179.97 180.61 1uhu h ALA 23 N 1.62 0.85 -0.28 0.04 0.00 -1.56 -1.10 119.26 118.82 1uhu h ALA 23 Ca 0.56 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1uhu h ALA 23 Cb 0.80 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1uhu h ALA 23 CO -0.35 0.68 0.02 1.25 0.00 0.00 0.00 179.25 180.85 1uhu h HIS 24 N 0.30 0.52 -0.15 0.00 2.76 0.04 1.76 115.15 120.39 1uhu h HIS 24 Ca 0.01 -0.08 -0.07 0.00 -2.20 0.00 0.00 60.37 58.03 1uhu h HIS 24 Cb 1.02 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.82 1uhu h HIS 24 CO 0.03 0.61 -0.21 -0.97 -1.30 0.00 0.00 177.93 176.09 1uhu h ASN 25 N 0.28 0.25 1.60 3.26 -0.73 -0.35 -1.36 115.58 118.53 1uhu h ASN 25 Ca 0.08 -0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.19 1uhu h ASN 25 Cb 0.39 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 38.91 1uhu h ASN 25 CO 0.01 0.47 -0.30 -0.07 -0.37 0.00 0.00 177.43 177.17 1uhu h LEU 26 N 0.23 0.00 -2.04 0.34 3.38 -0.78 -3.48 115.31 112.97 1uhu h LEU 26 Ca 0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1uhu h LEU 26 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1uhu h LEU 26 CO 0.03 0.01 -0.01 -0.24 0.09 0.00 0.00 178.44 178.32 1uhu n SER 27 N -2.82 -2.00 -4.04 -0.43 2.88 0.36 -5.05 113.62 102.52 1uhu n SER 27 Ca 0.03 -0.01 -0.08 0.00 -1.33 0.00 0.00 58.87 57.49 1uhu n SER 27 Cb 0.52 -0.55 -0.10 0.00 -0.75 0.00 0.00 64.21 63.33 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 -3.00 0.17 -0.02 2.46 -7.23 0.51 -4.98 120.40 108.30 1uhu s VAL 28 Ca 0.00 -1.44 0.07 0.00 -1.81 0.00 0.00 61.98 58.81 1uhu s VAL 28 Cb -0.00 -1.04 -0.02 0.00 0.56 0.00 0.00 36.38 35.88 1uhu s VAL 28 CO 0.01 -0.79 -0.24 -0.70 -0.31 0.00 0.00 175.10 173.06 1uhu s GLU 29 N -2.97 2.16 0.19 4.82 -6.30 -1.26 -3.82 118.70 111.52 1uhu s GLU 29 Ca -0.02 -0.90 -0.05 0.00 -2.50 0.00 0.00 54.97 51.50 1uhu s GLU 29 Cb 0.01 -2.09 -0.03 0.00 0.00 0.00 0.00 34.13 32.03 1uhu s GLU 29 CO -0.07 0.57 0.21 0.96 0.02 0.00 0.00 175.26 176.95 1uhu s ILE 30 N -0.63 0.04 0.37 -3.70 -4.36 -1.26 -4.90 121.20 106.75 1uhu s ILE 30 Ca 0.10 -1.75 0.08 0.00 -0.26 0.00 0.00 60.65 58.83 1uhu s ILE 30 Cb -0.10 -2.21 -0.06 0.00 1.25 0.00 0.00 42.46 41.34 1uhu s ILE 30 CO -0.01 -0.16 0.02 -0.54 0.24 0.00 0.00 174.94 174.49 1uhu s LYS 31 N -4.07 2.04 0.03 0.37 1.02 -1.26 -5.03 119.74 112.84 1uhu s LYS 31 Ca 0.28 -1.86 0.23 0.00 0.02 0.00 0.00 55.97 54.65 1uhu s LYS 31 Cb 0.05 -1.85 0.14 0.00 -0.52 0.00 0.00 37.83 35.65 1uhu s LYS 31 CO 0.07 0.06 1.12 1.17 -0.92 0.00 0.00 175.35 176.85 1uhu n LYS 32 N -0.98 0.17 -0.07 1.68 4.81 -1.26 -2.86 118.16 119.65 1uhu n LYS 32 Ca -0.04 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.25 1uhu n LYS 32 Cb 0.64 -1.56 -0.13 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 4.73 0.01 1.24 3.14 0.00 -2.00 -3.28 103.07 106.92 1uhu h GLY 33 Ca 0.00 -0.04 -0.25 0.00 0.00 0.00 0.00 47.33 47.05 1uhu h GLY 33 CO 0.00 0.03 -0.94 -0.56 0.00 0.00 0.00 176.54 175.07 1uhu h PRO 34 N -0.97 0.71 -1.01 4.80 0.13 -1.99 -1.86 132.00 131.81 1uhu h PRO 34 Ca -0.07 -0.69 0.24 0.00 -0.87 0.00 0.00 66.00 64.62 1uhu h PRO 34 Cb 1.08 0.18 -0.12 0.00 0.13 0.00 0.00 31.00 32.27 1uhu h PRO 34 CO -0.03 1.28 0.61 2.35 -0.23 0.00 0.00 178.00 181.98 1uhu h TRP 35 N 0.43 0.97 0.01 1.56 2.91 -1.70 1.49 115.95 121.62 1uhu h TRP 35 Ca -0.10 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 59.94 1uhu h TRP 35 Cb 1.58 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 29.95 1uhu h TRP 35 CO 0.09 0.08 -0.08 -0.09 -1.03 0.00 0.00 178.44 177.41 1uhu h ARG 36 N 0.57 0.04 -0.14 2.65 2.43 -1.60 -3.06 114.38 115.28 1uhu h ARG 36 Ca 0.63 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.79 1uhu h ARG 36 Cb 1.24 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.76 1uhu h ARG 36 CO -0.44 0.92 -0.14 1.15 -1.51 0.00 0.00 179.97 179.95 1uhu h THR 37 N -0.81 0.62 -0.63 0.20 2.02 -0.17 1.18 112.91 115.31 1uhu h THR 37 Ca -0.01 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.32 1uhu h THR 37 Cb 0.96 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 1uhu h THR 37 CO 0.02 0.00 0.43 -0.26 0.37 0.00 0.00 175.52 176.08 1uhu h PHE 38 N -0.17 0.23 -0.54 3.16 0.04 0.19 0.85 116.94 120.69 1uhu h PHE 38 Ca 0.09 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1uhu h PHE 38 Cb 0.31 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.38 1uhu h PHE 38 CO -0.26 0.09 0.00 0.00 -0.60 0.00 0.00 178.31 177.54 1uhu n ALA 40 N 0.82 1.09 -2.41 0.00 0.00 0.39 -4.72 120.51 115.68 1uhu n ALA 40 Ca 0.22 -0.88 -0.02 0.00 0.00 0.00 0.00 53.44 52.76 1uhu n ALA 40 Cb 0.77 -0.18 0.05 0.00 0.00 0.00 0.00 19.45 20.10 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 -4.07 -0.91 -0.02 0.00 2.88 -0.79 -4.93 113.62 105.79 1uhu n SER 41 Ca -0.45 -1.70 -0.03 0.00 -1.33 0.00 0.00 58.87 55.36 1uhu n SER 41 Cb 0.86 0.40 -0.01 0.00 -0.75 0.00 0.00 64.21 64.71 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 -0.77 0.07 -0.01 -1.46 4.07 -1.14 -4.36 120.64 117.03 1uhu n GLU 42 Ca -0.14 0.03 -0.17 0.00 -0.06 0.00 0.00 57.16 56.82 1uhu n GLU 42 Cb 0.70 -0.69 -0.10 0.00 -0.06 0.00 0.00 31.44 31.29 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 -0.09 0.57 0.00 4.31 6.55 -0.88 -2.97 115.95 123.43 1uhu h TRP 43 Ca -0.08 -0.30 0.00 0.00 0.95 0.00 0.00 58.89 59.47 1uhu h TRP 43 Cb 1.08 -0.07 0.00 0.00 -0.86 0.00 0.00 29.16 29.30 1uhu h TRP 43 CO -0.01 1.10 0.00 -0.35 -1.05 0.00 0.00 178.44 178.13 1uhu n PRO 44 N -4.27 0.75 -0.22 0.49 -0.04 -1.26 -2.22 135.00 128.23 1uhu n PRO 44 Ca -0.10 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.45 1uhu n PRO 44 Cb 0.63 -1.32 0.17 0.00 -0.04 0.00 0.00 33.50 32.94 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 -0.82 2.03 0.97 0.52 -2.24 -1.13 -4.52 114.28 109.09 1uhu n THR 45 Ca 0.12 -2.28 0.11 0.00 -2.27 0.00 0.00 64.05 59.72 1uhu n THR 45 Cb 0.05 -0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 68.03 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 -1.20 0.00 -2.81 4.78 3.01 -0.94 -4.95 117.46 115.35 1uhu n PHE 46 Ca 0.18 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.59 1uhu n PHE 46 Cb 0.72 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.19 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 -0.03 -7.99 0.00 4.37 8.00 -1.26 -4.97 116.55 114.67 1uhu n ASP 47 Ca 0.09 0.85 0.00 0.00 0.71 0.00 0.00 54.79 56.44 1uhu n ASP 47 Cb 0.46 -5.37 0.00 0.00 -0.02 0.00 0.00 41.12 36.18 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 0.06 0.00 0.00 2.53 0.24 -1.26 -5.05 118.33 114.85 1uhu n VAL 48 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 1uhu n VAL 48 Cb 0.30 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 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 -1.15 0.02 3.53 7.63 0.00 -1.26 -5.12 105.19 108.84 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 -0.03 3.14 0.86 1.61 -0.11 -1.26 -5.03 118.94 118.12 1uhu s TRP 50 Ca 0.00 -0.20 -0.12 0.00 1.22 0.00 0.00 56.10 57.00 1uhu s TRP 50 Cb 0.00 -2.17 0.11 0.00 -1.50 0.00 0.00 33.47 29.91 1uhu s TRP 50 CO 0.00 -0.14 1.12 -1.25 -4.62 0.00 0.00 176.95 172.06 1uhu s PRO 51 N 1.08 1.59 0.14 5.86 0.04 -1.26 -4.15 135.00 138.31 1uhu s PRO 51 Ca 0.04 0.46 -0.04 0.00 0.04 0.00 0.00 61.00 61.49 1uhu s PRO 51 Cb -0.14 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 1uhu s PRO 51 CO 0.03 -1.92 1.34 -1.00 0.04 0.00 0.00 177.00 175.49 1uhu h PRO 52 N -1.30 0.45 0.00 0.56 0.13 -1.91 -3.12 132.00 126.80 1uhu h PRO 52 Ca -0.49 -0.43 -0.08 0.00 -0.87 0.00 0.00 66.00 64.13 1uhu h PRO 52 Cb 1.30 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.53 1uhu h PRO 52 CO 0.61 1.08 -0.37 0.93 -0.23 0.00 0.00 178.00 180.02 1uhu h GLU 53 N 0.27 0.00 0.00 0.86 4.39 -1.94 -3.43 114.58 114.73 1uhu h GLU 53 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1uhu h GLU 53 Cb 1.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.14 1uhu h GLU 53 CO 0.15 0.37 0.00 0.41 -1.16 0.00 0.00 179.01 178.78 1uhu n GLY 54 N 0.75 1.20 3.42 -3.84 0.00 -1.18 -1.80 105.19 103.74 1uhu n GLY 54 Ca 0.01 -2.12 -0.16 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.53 0.02 -0.51 2.61 -1.32 -1.26 -4.67 115.64 108.98 1uhu s THR 55 Ca 0.00 -0.17 0.02 0.00 -1.21 0.00 0.00 61.69 60.33 1uhu s THR 55 Cb 0.00 -0.85 0.46 0.00 -1.51 0.00 0.00 72.50 70.60 1uhu s THR 55 CO 0.00 -0.09 1.70 0.49 -2.21 0.00 0.00 174.62 174.51 1uhu n PHE 56 N 1.18 2.97 -3.31 9.09 3.72 -1.26 -4.88 117.46 124.97 1uhu n PHE 56 Ca -0.20 -2.65 -0.44 0.00 -0.05 0.00 0.00 57.45 54.12 1uhu n PHE 56 Cb 0.57 -0.99 -0.08 0.00 -0.94 0.00 0.00 39.48 38.03 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 -2.50 6.18 0.30 4.37 -1.08 -1.26 -4.69 116.67 117.99 1uhu s ASP 57 Ca 0.59 -0.99 0.04 0.00 -0.52 0.00 0.00 52.55 51.67 1uhu s ASP 57 Cb 0.47 -2.22 0.77 0.00 -1.46 0.00 0.00 42.92 40.48 1uhu s ASP 57 CO 0.01 -0.68 1.65 0.25 0.52 0.00 0.00 175.17 176.93 1uhu h LEU 58 N 9.09 0.11 0.08 -1.34 6.46 -1.94 0.82 115.31 128.59 1uhu h LEU 58 Ca -0.27 0.19 0.02 0.00 -0.12 0.00 0.00 57.88 57.70 1uhu h LEU 58 Cb 1.11 0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 41.24 1uhu h LEU 58 CO 0.86 -0.14 -0.21 0.74 -0.62 0.00 0.00 178.44 179.08 1uhu h THR 59 N 0.25 0.53 -0.63 1.05 2.02 -1.99 0.22 112.91 114.34 1uhu h THR 59 Ca 0.58 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.74 1uhu h THR 59 Cb 1.19 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 1uhu h THR 59 CO -0.64 0.00 0.30 0.58 0.37 0.00 0.00 175.52 176.13 1uhu h VAL 60 N -0.37 1.22 -0.91 3.16 2.07 -0.92 -1.80 116.25 118.70 1uhu h VAL 60 Ca 0.04 -0.63 0.11 0.00 0.82 0.00 0.00 66.70 67.03 1uhu h VAL 60 Cb 0.41 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 30.58 1uhu h VAL 60 CO -0.14 0.26 0.58 0.40 0.02 0.00 0.00 177.57 178.69 1uhu h ILE 61 N 0.88 0.93 0.00 4.57 2.04 0.11 0.36 117.51 126.39 1uhu h ILE 61 Ca 0.22 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 1uhu h ILE 61 Cb 0.13 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 1uhu h ILE 61 CO -0.03 0.16 -0.20 -0.26 0.00 0.00 0.00 178.15 177.82 1uhu h PHE 62 N 0.86 0.00 0.06 1.37 -1.00 0.27 0.77 116.94 119.27 1uhu h PHE 62 Ca 0.43 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.21 1uhu h PHE 62 Cb 0.49 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.05 1uhu h PHE 62 CO -0.00 0.20 -0.03 0.93 -1.61 0.00 0.00 178.31 177.80 1uhu h GLU 63 N 0.00 -0.07 -0.07 1.51 5.08 0.08 0.57 114.58 121.67 1uhu h GLU 63 Ca -0.00 0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1uhu h GLU 63 Cb 0.50 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1uhu h GLU 63 CO 0.03 0.44 -0.84 0.28 -1.00 0.00 0.00 179.01 177.91 1uhu h VAL 64 N -0.64 1.35 -0.26 3.13 2.07 -1.24 -2.95 116.25 117.71 1uhu h VAL 64 Ca -0.01 -2.20 -0.00 0.00 0.82 0.00 0.00 66.70 65.31 1uhu h VAL 64 Cb 0.55 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 1uhu h VAL 64 CO 0.01 0.67 0.15 0.50 0.02 0.00 0.00 177.57 178.92 1uhu h LYS 65 N 0.34 0.36 -0.04 1.57 3.64 0.51 0.71 116.57 123.67 1uhu h LYS 65 Ca -0.06 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1uhu h LYS 65 Cb 1.45 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.20 1uhu h LYS 65 CO 0.15 0.32 0.05 0.00 -2.27 0.00 0.00 179.45 177.71 1uhu h ALA 66 N 1.03 1.50 0.23 5.00 0.00 -0.87 1.81 119.26 127.95 1uhu h ALA 66 Ca 0.09 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.68 1uhu h ALA 66 Cb 0.06 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.88 1uhu h ALA 66 CO -0.02 -0.08 -1.43 0.82 0.00 0.00 0.00 179.25 178.55 1uhu h ILE 67 N 0.00 1.33 0.00 0.00 2.04 -0.95 -2.35 117.51 117.59 1uhu h ILE 67 Ca 0.02 -2.78 -0.19 0.00 1.00 0.00 0.00 64.86 62.92 1uhu h ILE 67 Cb 0.13 3.02 -0.03 0.00 -0.74 0.00 0.00 36.82 39.20 1uhu h ILE 67 CO -0.00 0.83 -0.89 -0.37 0.00 0.00 0.00 178.15 177.71 1uhu h VAL 68 N 0.14 1.57 -0.84 1.67 -1.51 0.13 -3.17 116.25 114.23 1uhu h VAL 68 Ca -0.23 -3.14 -0.34 0.00 -1.23 0.00 0.00 66.70 61.76 1uhu h VAL 68 Cb 2.13 2.73 -0.20 0.00 -2.13 0.00 0.00 31.29 33.81 1uhu h VAL 68 CO 0.26 0.88 0.43 0.49 -1.23 0.00 0.00 177.57 178.40 1uhu n PHE 69 N -3.37 2.71 -0.39 5.19 3.01 0.60 0.21 117.46 125.41 1uhu n PHE 69 Ca 0.00 -1.46 -0.14 0.00 1.01 0.00 0.00 57.45 56.87 1uhu n PHE 69 Cb 0.88 -0.80 0.13 0.00 -0.01 0.00 0.00 39.48 39.69 1uhu n PHE 69 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1uhu n GLN 70 N -0.55 -1.45 -0.09 -1.08 6.02 -0.88 -4.90 117.38 114.45 1uhu n GLN 70 Ca 0.48 -0.66 0.10 0.00 -0.01 0.00 0.00 57.00 56.91 1uhu n GLN 70 Cb 1.50 -1.25 0.14 0.00 1.02 0.00 0.00 30.24 31.66 1uhu n GLN 70 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1uhu n ASP 71 N -1.72 2.42 -0.31 1.08 2.03 -1.26 -4.73 116.55 114.06 1uhu n ASP 71 Ca 0.06 -3.07 0.00 0.00 0.52 0.00 0.00 54.79 52.30 1uhu n ASP 71 Cb 0.27 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.24 1uhu n ASP 71 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1uhu n GLY 72 N -1.38 5.21 0.00 0.27 0.00 -1.26 -5.01 105.19 103.01 1uhu n GLY 72 Ca 0.16 -1.58 0.12 0.00 0.00 0.00 0.00 46.02 44.71 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 0.11 1.61 -0.04 -1.26 -2.84 135.00 133.07 1uhu n PRO 73 Ca 0.00 0.04 -0.19 0.00 -0.04 0.00 0.00 63.50 63.31 1uhu n PRO 73 Cb 0.00 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 31.81 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 3.76 0.41 -2.36 0.55 0.00 -1.95 -3.47 103.07 100.02 1uhu h GLY 74 Ca 0.00 -1.05 -0.52 0.00 0.00 0.00 0.00 47.33 45.76 1uhu h GLY 74 CO 0.00 0.92 -2.03 -1.14 0.00 0.00 0.00 176.54 174.30 1uhu n SER 75 N -3.58 -4.13 -3.74 0.19 3.41 -1.13 -4.85 113.62 99.79 1uhu n SER 75 Ca -0.13 0.09 -0.30 0.00 -0.26 0.00 0.00 58.87 58.28 1uhu n SER 75 Cb 1.06 -0.72 -0.15 0.00 -0.26 0.00 0.00 64.21 64.14 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 -2.06 1.71 -1.48 7.33 0.09 0.58 -4.91 115.29 116.54 1uhu s HIS 76 Ca 0.41 -1.71 0.23 0.00 -0.00 0.00 0.00 55.06 54.00 1uhu s HIS 76 Cb -0.06 -1.69 1.17 0.00 -0.00 0.00 0.00 32.58 32.00 1uhu s HIS 76 CO 0.73 -0.86 1.75 -0.35 -0.00 0.00 0.00 174.74 176.00 1uhu n PRO 77 N 4.85 0.36 -0.00 8.40 -0.04 -1.26 -0.66 135.00 146.65 1uhu n PRO 77 Ca -0.02 0.06 -0.21 0.00 -0.04 0.00 0.00 63.50 63.29 1uhu n PRO 77 Cb 0.42 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.24 1uhu n PRO 77 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1uhu n ASP 78 N -1.26 2.12 0.09 3.54 9.92 -1.26 -4.12 116.55 125.58 1uhu n ASP 78 Ca 0.11 0.19 0.12 0.00 -0.53 0.00 0.00 54.79 54.69 1uhu n ASP 78 Cb 0.17 -0.84 0.13 0.00 -0.64 0.00 0.00 41.12 39.93 1uhu n ASP 78 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1uhu h GLN 79 N 0.07 0.00 -0.59 -1.24 4.20 -1.88 -3.36 115.11 112.31 1uhu h GLN 79 Ca -0.43 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.40 1uhu h GLN 79 Cb 2.03 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 29.70 1uhu h GLN 79 CO 0.08 0.00 -0.07 1.96 -0.67 0.00 0.00 178.83 180.13 1uhu h GLN 80 N 0.00 0.05 0.00 1.46 4.20 -1.05 1.58 115.11 121.36 1uhu h GLN 80 Ca 0.00 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1uhu h GLN 80 Cb 0.84 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.61 1uhu h GLN 80 CO 0.00 0.04 -0.13 -1.00 -0.67 0.00 0.00 178.83 177.07 1uhu h PRO 81 N 0.06 0.00 0.02 1.46 0.13 -1.77 -1.65 132.00 130.24 1uhu h PRO 81 Ca 0.30 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.40 1uhu h PRO 81 Cb 0.47 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.60 1uhu h PRO 81 CO -0.56 0.13 -0.13 1.88 -0.23 0.00 0.00 178.00 179.09 1uhu h TYR 82 N 0.00 0.09 -0.46 1.56 -1.99 -0.46 -3.24 116.97 112.49 1uhu h TYR 82 Ca -0.00 -0.06 -0.09 0.00 2.00 0.00 0.00 58.73 60.58 1uhu h TYR 82 Cb 0.85 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.55 1uhu h TYR 82 CO 0.00 1.00 -0.07 0.97 -0.00 0.00 0.00 178.16 180.06 1uhu h ILE 83 N -0.84 1.25 -0.76 -2.88 6.09 0.20 -2.74 117.51 117.84 1uhu h ILE 83 Ca -0.02 -1.12 0.16 0.00 -1.37 0.00 0.00 64.86 62.51 1uhu h ILE 83 Cb 1.05 0.98 -0.11 0.00 0.47 0.00 0.00 36.82 39.22 1uhu h ILE 83 CO 0.02 0.39 0.25 0.74 -3.07 0.00 0.00 178.15 176.48 1uhu h THR 84 N 0.73 0.57 -0.73 2.19 2.02 -1.40 0.34 112.91 116.63 1uhu h THR 84 Ca 0.13 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1uhu h THR 84 Cb 0.55 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1uhu h THR 84 CO 0.03 0.06 0.21 0.58 0.37 0.00 0.00 175.52 176.78 1uhu h VAL 85 N 0.35 1.26 -0.38 3.16 2.07 -1.51 -1.36 116.25 119.85 1uhu h VAL 85 Ca 0.43 -0.94 0.03 0.00 0.82 0.00 0.00 66.70 67.04 1uhu h VAL 85 Cb 0.72 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1uhu h VAL 85 CO -0.47 0.37 0.18 -0.50 0.02 0.00 0.00 177.57 177.17 1uhu h TRP 86 N 1.10 0.33 -0.67 1.57 4.06 -0.29 0.80 115.95 122.85 1uhu h TRP 86 Ca 0.23 0.02 0.02 0.00 2.06 0.00 0.00 58.89 61.22 1uhu h TRP 86 Cb 0.34 -0.09 -0.04 0.00 -1.00 0.00 0.00 29.16 28.37 1uhu h TRP 86 CO 0.03 0.17 0.45 0.37 -3.56 0.00 0.00 178.44 175.89 1uhu h GLN 87 N 0.37 0.84 -0.03 0.49 -0.00 -0.25 -0.41 115.11 116.12 1uhu h GLN 87 Ca 0.16 -0.05 -0.18 0.00 -0.00 0.00 0.00 58.65 58.59 1uhu h GLN 87 Cb 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 27.36 1uhu h GLN 87 CO -0.12 0.55 -0.76 0.22 0.00 0.00 0.00 178.83 178.72 1uhu h ASP 88 N 0.86 0.26 0.39 -0.69 1.82 -0.01 -0.13 116.42 118.92 1uhu h ASP 88 Ca 0.26 -0.18 -0.02 0.00 -0.39 0.00 0.00 57.03 56.70 1uhu h ASP 88 Cb -0.02 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 39.92 1uhu h ASP 88 CO -0.06 0.92 -0.19 -0.07 -1.61 0.00 0.00 179.24 178.23 1uhu h LEU 89 N 0.14 -0.45 -0.03 2.28 3.38 0.21 0.29 115.31 121.12 1uhu h LEU 89 Ca -0.03 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1uhu h LEU 89 Cb 1.34 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.20 1uhu h LEU 89 CO 0.12 -0.27 0.01 -0.37 0.09 0.00 0.00 178.44 178.01 1uhu h VAL 90 N -0.59 1.20 -0.56 1.22 -1.51 -1.22 -0.15 116.25 114.65 1uhu h VAL 90 Ca -0.05 -0.61 0.11 0.00 -1.23 0.00 0.00 66.70 64.92 1uhu h VAL 90 Cb 0.44 1.55 -0.10 0.00 -2.13 0.00 0.00 31.29 31.05 1uhu h VAL 90 CO 0.09 0.16 -0.08 1.56 -1.23 0.00 0.00 177.57 178.07 1uhu h GLN 91 N -0.18 0.04 -2.29 5.19 1.08 -0.93 -2.31 115.11 115.71 1uhu h GLN 91 Ca 0.01 -0.00 -0.66 0.00 -1.45 0.00 0.00 58.65 56.55 1uhu h GLN 91 Cb 0.26 -0.01 -0.37 0.00 -0.05 0.00 0.00 27.48 27.31 1uhu h GLN 91 CO 0.00 0.03 -0.09 0.09 -0.95 0.00 0.00 178.83 177.91 1uhu n ASN 92 N -5.34 5.37 -3.93 1.46 3.02 1.00 -5.04 115.26 111.80 1uhu n ASN 92 Ca 0.07 -3.67 -0.56 0.00 -0.03 0.00 0.00 54.58 50.39 1uhu n ASN 92 Cb 0.31 -0.77 -0.10 0.00 -0.61 0.00 0.00 39.78 38.61 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 -0.09 0.86 -4.80 6.41 3.41 -0.08 -4.77 113.62 114.57 1uhu n SER 93 Ca 0.36 0.82 -0.30 0.00 -0.26 0.00 0.00 58.87 59.49 1uhu n SER 93 Cb 0.35 -0.78 0.10 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 3.88 1.80 0.37 4.33 0.04 -1.25 -4.81 135.00 139.35 1uhu s PRO 94 Ca 0.98 0.53 0.19 0.00 0.04 0.00 0.00 61.00 62.74 1uhu s PRO 94 Cb -1.31 -1.89 0.53 0.00 0.04 0.00 0.00 34.50 31.87 1uhu s PRO 94 CO 0.65 -1.79 1.66 -1.00 0.04 0.00 0.00 177.00 176.55 1uhu h PRO 95 N -1.21 0.00 -0.00 0.56 0.13 -1.99 0.11 132.00 129.59 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 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1uhu h PRO 95 CO 0.60 0.35 -0.01 -2.67 -0.23 0.00 0.00 178.00 176.04 1uhu n TRP 96 N -3.36 0.00 -0.05 1.56 4.27 -1.26 -4.00 117.44 114.60 1uhu n TRP 96 Ca 0.01 0.00 -0.05 0.00 -3.89 0.00 0.00 57.50 53.57 1uhu n TRP 96 Cb 0.56 -0.41 -0.02 0.00 -1.36 0.00 0.00 31.31 30.08 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 -1.42 1.04 -3.93 -1.67 5.41 -0.91 -5.01 119.36 112.87 1uhu n ILE 97 Ca 0.10 0.25 -0.35 0.00 1.00 0.00 0.00 62.75 63.75 1uhu n ILE 97 Cb 0.30 -1.98 0.01 0.00 -0.71 0.00 0.00 39.64 37.27 1uhu n ILE 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1uhu n LYS 98 N -3.77 -0.91 -1.57 0.38 0.00 0.33 -4.68 118.16 107.95 1uhu n LYS 98 Ca -0.08 0.41 -0.53 0.00 0.00 0.00 0.00 58.31 58.11 1uhu n LYS 98 Cb 0.30 -2.28 -0.06 0.00 0.00 0.00 0.00 35.03 32.99 1uhu n LYS 98 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1uhu n SER 99 N -2.37 1.23 0.00 3.14 2.88 -1.26 -4.85 113.62 112.38 1uhu n SER 99 Ca -0.23 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.44 1uhu n SER 99 Cb 0.63 -1.14 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 1uhu n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uhu n GLY 100 N 2.24 -0.56 0.20 0.46 0.00 -1.26 -5.03 105.19 101.23 1uhu n GLY 100 Ca 0.18 0.60 -0.17 0.00 0.00 0.00 0.00 46.02 46.63 1uhu n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uhu h PRO 101 N 0.00 0.65 -3.11 1.61 0.13 -1.93 -3.46 132.00 125.89 1uhu h PRO 101 Ca 0.00 -0.63 -0.17 0.00 -0.87 0.00 0.00 66.00 64.33 1uhu h PRO 101 Cb 0.00 0.16 -0.26 0.00 0.13 0.00 0.00 31.00 31.03 1uhu h PRO 101 CO 0.00 1.24 -0.43 0.45 -0.23 0.00 0.00 178.00 179.02 1uhu s SER 102 N -7.17 -0.26 -0.35 1.44 0.15 -1.26 -5.00 113.70 101.25 1uhu s SER 102 Ca -0.09 0.51 -0.09 0.00 0.70 0.00 0.00 55.95 56.98 1uhu s SER 102 Cb 0.08 0.50 0.01 0.00 -1.71 0.00 0.00 66.02 64.90 1uhu s SER 102 CO 0.90 -0.10 0.34 -1.20 1.20 0.00 0.00 173.24 174.38 1uhu n SER 103 N 3.13 -7.44 0.00 5.45 7.64 -1.26 -5.25 113.62 115.89 1uhu n SER 103 Ca -0.14 0.80 0.00 0.00 1.01 0.00 0.00 58.87 60.54 1uhu n SER 103 Cb 0.58 -4.98 0.00 0.00 -1.01 0.00 0.00 64.21 58.80 1uhu n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64